| 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 | 38.9 | Very low | 34.9 | Very low | 228 Ų | 228 | 175.2 Ų | 175.2 | 100% | 1.123 | 84% | 0.837 | S | S | * | * | 0 | 97.6 | 0 | -156 | 173.2 | -178.6 | 0 | 0 | 107.5 | |||||
| 2 | I | 38.7 | Very low | 34.6 | Very low | 166 Ų | 166 | 173.7 Ų | 173.7 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | trans | -92.5 | 110.1 | -177.9 | -69.6 | 163.9 | 0 | 0 | 0 | 107.3 | R4 | I2-R4 PolarHBondContact O-N 3.38Š| ||
| 3 | L | 40.6 | Very low | 34.3 | Very low | 141 Ų | 141 | 171 Ų | 171 | 74% | 0.738 | 83% | 0.83 | S | S | * | * | trans | -80 | 107.9 | 172.5 | -89.1 | 88.5 | 0 | 0 | 0 | 109.4 | ||||
| 4 | R | 33.5 | Very low | 34.1 | Very low | 234 Ų | 234 | 176.4 Ų | 176.4 | 88% | 0.883 | 84% | 0.838 | S | S | * | * | trans | -71.4 | 121.7 | 158.9 | -86.7 | -174.8 | 168.3 | -136.8 | -0.2 | 108.5 | I2 | I2-R4 PolarHBondContact O-N 3.38Š| ||
| 5 | R | 38.8 | Very low | 34.8 | Very low | 242 Ų | 242 | 172.4 Ų | 172.4 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | trans | -110.9 | 128 | 159.5 | -92 | -179 | 172.2 | -125.3 | 0.6 | 108.6 | ||||
| 6 | S | 36.1 | Very low | 34.5 | Very low | 89 Ų | 89 | 167.9 Ų | 167.9 | 62% | 0.622 | 82% | 0.824 | S | S | * | * | trans | -129 | 153 | -180 | 35.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 7 | Y | 30.1 | Very low | 34.8 | Very low | 222 Ų | 222 | 170.7 Ų | 170.7 | 87% | 0.871 | 83% | 0.831 | S | S | * | * | trans | 78.9 | 142.8 | 173.6 | -61.7 | -81.1 | 0 | 0 | 0 | 116.1 | ||||
| 8 | S | 27.5 | Very low | 34.5 | Very low | 103 Ų | 103 | 171.8 Ų | 171.8 | 72% | 0.72 | 83% | 0.834 | S | S | * | * | cis | -166.6 | 160.5 | 4.3 | 35.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 9 | F | 31.9 | Very low | 34.5 | Very low | 212 Ų | 212 | 174.6 Ų | 174.6 | 93% | 0.93 | 84% | 0.835 | S | S | * | * | trans | -53.7 | 131.8 | 172.4 | -74.4 | -100.5 | 0 | 0 | 0 | 112.8 | ||||
| 10 | Q | 31.7 | Very low | 34.5 | Very low | 153 Ų | 153 | 170.2 Ų | 170.2 | 72% | 0.715 | 83% | 0.829 | S | S | * | * | trans | -137.4 | 97.9 | 159.9 | -163.7 | 156.3 | -3.2 | 0 | 0 | 109.5 | Q12 | Q10-Q12 HydrophobicContact CG-CG 4.26Å; Q10-Q12 VanDerWaalsContact NE2-NE2 3.18Å; Q10-Q12 PolarHBondContact O-N 3.16Å; Q10-Q12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | T | 35.8 | Very low | 34.6 | Very low | 137 Ų | 137 | 172.6 Ų | 172.6 | 84% | 0.84 | 83% | 0.829 | S | S | * | * | trans | -61.3 | 104 | 158.1 | 46 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 12 | Q | 31.5 | Very low | 34.2 | Very low | 157 Ų | 157 | 167.2 Ų | 167.2 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -129.9 | 117.3 | 161.5 | -90.8 | -178 | 4.7 | 0 | 0 | 110.1 | Q10 | Q10-Q12 HydrophobicContact CG-CG 4.26Å; Q10-Q12 VanDerWaalsContact NE2-NE2 3.18Å; Q10-Q12 PolarHBondContact O-N 3.16Å; Q10-Q12 VanDerWaalsContact O-N 3.16Å | ||
| 13 | T | 31 | Very low | 34.1 | Very low | 139 Ų | 139 | 163.8 Ų | 163.8 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -58.3 | 126.2 | 170.7 | 38 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 14 | R | 31.1 | Very low | 33.6 | Very low | 247 Ų | 247 | 162 Ų | 162 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | trans | -155.9 | 134.1 | 146.6 | -112.2 | -177.4 | 177.5 | -161.3 | -1.3 | 111.3 | ||||
| 15 | P | 45 | Very low | 33.6 | Very low | 116 Ų | 116 | 158.7 Ų | 158.7 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | -96.1 | 148.2 | -174.9 | 37 | -31 | 0 | 0 | 0 | 111.6 | ||||
| 16 | S | 29 | Very low | 33.2 | Very low | 101 Ų | 101 | 152.2 Ų | 152.2 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -178.9 | 86.8 | 150 | 41.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 17 | F | 40.5 | Very low | 33.1 | Very low | 215 Ų | 215 | 159.3 Ų | 159.3 | 94% | 0.943 | 81% | 0.813 | S | S | * | * | -134.1 | 105.7 | 123.2 | -88.5 | -74.4 | 0 | 0 | 0 | 107.1 | |||||
| 18 | Q | 29.7 | Very low | 33.3 | Very low | 191 Ų | 191 | 154 Ų | 154 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | -54.7 | 129.8 | 163 | -65.2 | 169.9 | -48.2 | 0 | 0 | 108.7 | ||||
| 19 | R | 34.9 | Very low | 33.7 | Very low | 225 Ų | 225 | 159.8 Ų | 159.8 | 85% | 0.849 | 82% | 0.816 | S | S | * | * | -176.4 | 108.4 | 111.9 | -160.3 | 170.9 | -162.9 | -158.3 | 5.1 | 109 | |||||
| 20 | A | 33.2 | Very low | 33.8 | Very low | 86 Ų | 86 | 153.9 Ų | 153.9 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -62.5 | 134.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 21 | R | 37.2 | Very low | 33.9 | Very low | 220 Ų | 220 | 155.6 Ų | 155.6 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | -144.5 | 86.5 | 137.7 | -71.2 | -159.8 | 164.6 | -153.8 | -6.3 | 108.2 | A23 | R21-A23 PolarHBondContact O-N 2.77Š| ||
| 22 | S | 30.2 | Very low | 33.8 | Very low | 115 Ų | 115 | 155.1 Ų | 155.1 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -56.9 | 112.1 | 151.7 | 13.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 23 | A | 35.7 | Very low | 34.1 | Very low | 95 Ų | 95 | 153.5 Ų | 153.5 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -129.2 | 79.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | R21 I25 | R21-A23 PolarHBondContact O-N 2.77Å; A23-I25 PolarHBondContact O-N 3.46Å | ||
| 24 | S | 30.2 | Very low | 34.4 | Very low | 104 Ų | 104 | 151.3 Ų | 151.3 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -63.6 | 118.4 | 145.9 | 49.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 25 | I | 34.2 | Very low | 34.9 | Very low | 164 Ų | 164 | 145.2 Ų | 145.2 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -175.5 | 128.4 | 134.5 | -90.6 | 148.4 | 0 | 0 | 0 | 108.1 | A23 | A23-I25 PolarHBondContact O-N 3.46Š| ||
| 26 | S | 31.4 | Very low | 34.4 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -56.1 | 137.2 | 171.3 | -46.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 27 | R | 33.5 | Very low | 34.7 | Very low | 238 Ų | 238 | 150.6 Ų | 150.6 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | 164.5 | 117 | 116.9 | -91.1 | 179.4 | 171.7 | -135.6 | -1 | 111.8 | |||||
| 28 | S | 33.6 | Very low | 34.5 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 68 | 109.2 | 143.1 | -50.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 29 | Y | 36.4 | Very low | 34.5 | Very low | 224 Ų | 224 | 145.7 Ų | 145.7 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | trans | 68.3 | 120.9 | 137.9 | -106.8 | -92.9 | 0 | 0 | 0 | 122.3 | ||||
| 30 | S | 33.7 | Very low | 34.5 | Very low | 87 Ų | 87 | 141.1 Ų | 141.1 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | trans | 62.4 | 91.4 | 150.8 | 56.7 | 0 | 0 | 0 | 0 | 118.4 | V32 | S30-V32 PolarHBondContact O-N 3.22Š| ||
| 31 | F | 33.9 | Very low | 34.4 | Very low | 189 Ų | 189 | 146.8 Ų | 146.8 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | -64 | 119.3 | 150.5 | 52.7 | -86.9 | 0 | 0 | 0 | 109 | V33 | F31-V33 HydrophobicContact CD2-CG2 3.91Å; F31-V33 PolarHBondContact O-N 3.43Å | ||
| 32 | V | 34.1 | Very low | 34.3 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -84.3 | 101.4 | 169.2 | -159.7 | 0 | 0 | 0 | 0 | 105.6 | S30 | S30-V32 PolarHBondContact O-N 3.22Š| ||
| 33 | V | 37.9 | Very low | 34.4 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | trans | -95.6 | 98.9 | 167.9 | 174.4 | 0 | 0 | 0 | 0 | 106.9 | F31 | F31-V33 HydrophobicContact CD2-CG2 3.91Å; F31-V33 PolarHBondContact O-N 3.43Å | ||
| 34 | S | 36.3 | Very low | 34.3 | Very low | 94 Ų | 94 | 145.1 Ų | 145.1 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 127.7 | 174.6 | -52.1 | 0 | 0 | 0 | 0 | 110.8 | ||
| 35 | P | 42.4 | Very low | 34.5 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 132.2 | 172.8 | 27.1 | -31.3 | 0 | 0 | 0 | 110.7 | Y37 | P35-Y37 PolarHBondContact O-N 2.76Š|
| 36 | S | 35.1 | Very low | 34.6 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 121.3 | 176 | -51.8 | 0 | 0 | 0 | 0 | 111.4 | T38 | S36-T38 PolarHBondContact O-N 3.02Š|
| 37 | Y | 34 | Very low | 34.9 | Very low | 214 Ų | 214 | 147.3 Ų | 147.3 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 118 | 164.4 | -97.7 | -104.1 | 0 | 0 | 0 | 110.2 | P35 | P35-Y37 PolarHBondContact O-N 2.76Š|
| 38 | T | 36.9 | Very low | 34.9 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -138.2 | 107.2 | 151.1 | 38.7 | 0 | 0 | 0 | 0 | 109.3 | S36 | S36-T38 PolarHBondContact O-N 3.02Š| ||
| 39 | M | 30.6 | Very low | 34.8 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | trans | -74.1 | 144.4 | 167.3 | -64.6 | -130.2 | 111.3 | 0 | 0 | 110 | ||||
| 40 | P | 34.7 | Very low | 34.9 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -121.4 | 122.6 | 139.1 | 26.8 | -12.5 | 0 | 0 | 0 | 111.2 | ||||
| 41 | R | 30.3 | Very low | 35.1 | Very low | 205 Ų | 205 | 139.7 Ų | 139.7 | 77% | 0.774 | 79% | 0.785 | S | S | * | * | trans | -58.3 | 137 | 165.9 | -156 | 178.1 | -178.1 | 169 | -2.8 | 110.2 | E43 | R41-E43 IonicContact NE-OE1 2.79Š| ||
| 42 | S | 34.4 | Very low | 35.2 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | -168.8 | 102.2 | 148.2 | -78 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 43 | E | 33.3 | Very low | 35.3 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | -73.6 | 133.1 | 176.3 | -64.1 | 152.6 | -158.7 | 0 | 0 | 109.3 | R41 | R41-E43 IonicContact NE-OE1 2.79Š| ||
| 44 | S | 33.2 | Very low | 35 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -137.5 | 117.4 | 153.5 | 60.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 45 | V | 34.3 | Very low | 35.1 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 67% | 0.667 | 79% | 0.794 | S | S | * | * | trans | -104.2 | 121.6 | -169.2 | 175.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 46 | V | 36.3 | Very low | 34.8 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 67% | 0.673 | 79% | 0.791 | S | S | * | * | trans | -139.4 | -20.1 | 161.7 | -167.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 47 | F | 37.4 | Very low | 35.1 | Very low | 200 Ų | 200 | 145.8 Ų | 145.8 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -130 | 70 | 180 | -67.2 | -74.8 | 0 | 0 | 0 | 113.3 | ||||
| 48 | S | 33.4 | Very low | 35.1 | Very low | 96 Ų | 96 | 142.2 Ų | 142.2 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | trans | -89.7 | 92.6 | 161.3 | 52.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 49 | M | 33.2 | Very low | 35.2 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 94% | 0.941 | 79% | 0.785 | S | S | * | * | trans | -158.6 | 122.7 | 158.4 | -70.2 | -143.5 | 112.2 | 0 | 0 | 105.2 | ||||
| 50 | A | 38.6 | Very low | 35.4 | Very low | 97 Ų | 97 | 149 Ų | 149 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | cis | -164.3 | -174.4 | 40 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 51 | P | 37.5 | Very low | 35.5 | Very low | 116 Ų | 116 | 153.2 Ų | 153.2 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | -102.6 | 159.1 | -129.2 | 40.2 | -39.6 | 0 | 0 | 0 | 117.8 | S53 | P51-S53 PolarHBondContact O-N 3.41Š| |||
| 52 | R | 35.3 | Very low | 35.8 | Very low | 211 Ų | 211 | 152.1 Ų | 152.1 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | -8.9 | 109.2 | 149.6 | -64.3 | 173.7 | 169.9 | -145 | -0.8 | 115.9 | Y54 | R52-Y54 PolarHBondContact NH1-OH 3.16Š| ||
| 53 | S | 36.2 | Very low | 36.2 | Very low | 116 Ų | 116 | 151.1 Ų | 151.1 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -108.6 | 112.7 | 155.1 | 56.3 | 0 | 0 | 0 | 0 | 109.3 | P51 M55 | P51-S53 PolarHBondContact O-N 3.41Å; S53-M55 PolarHBondContact O-N 3.39Å | ||
| 54 | Y | 32.2 | Very low | 36.5 | Very low | 183 Ų | 183 | 151.1 Ų | 151.1 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | trans | -69.8 | 113.4 | 168.5 | -72 | -100.2 | 0 | 0 | 0 | 108.7 | R52 | R52-Y54 PolarHBondContact NH1-OH 3.16Š| ||
| 55 | M | 36.8 | Very low | 37 | Very low | 173 Ų | 173 | 152.1 Ų | 152.1 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | trans | -158.1 | 149.5 | 153.7 | -93.2 | -52.5 | 100.3 | 0 | 0 | 110.4 | S53 | S53-M55 PolarHBondContact O-N 3.39Š| ||
| 56 | P | 37.3 | Very low | 37.1 | Very low | 110 Ų | 110 | 151.6 Ų | 151.6 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | trans | -86.9 | 156.6 | -148.2 | 33.4 | -36.1 | 0 | 0 | 0 | 114.7 | N58 | P56-N58 PolarHBondContact O-N 3.37Š| ||
| 57 | S | 42 | Very low | 37.4 | Very low | 102 Ų | 102 | 150.9 Ų | 150.9 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | -45.9 | 114 | 167.1 | 51 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 58 | N | 33.5 | Very low | 37.2 | Very low | 140 Ų | 140 | 147.2 Ų | 147.2 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | 154.8 | 97.2 | 134.7 | -79.4 | -13.3 | 0 | 0 | 0 | 108.3 | P56 | P56-N58 PolarHBondContact O-N 3.37Š| ||
| 59 | F | 37.9 | Very low | 37.5 | Very low | 203 Ų | 203 | 153.3 Ų | 153.3 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | trans | -168.4 | 121.8 | 130.4 | -94.3 | -67.2 | 0 | 0 | 0 | 107.3 | Y61 | F59-Y61 PolarHBondContact O-N 3.36Š| ||
| 60 | Y | 35 | Very low | 37.5 | Very low | 240 Ų | 240 | 146.5 Ų | 146.5 | 94% | 0.941 | 76% | 0.757 | S | S | * | * | trans | -24.7 | 89.5 | 161.8 | -99.4 | -112.3 | 0 | 0 | 0 | 113.2 | ||||
| 61 | Y | 38 | Very low | 37.5 | Very low | 219 Ų | 219 | 149.2 Ų | 149.2 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | trans | -129 | 123.3 | 164.9 | -128.7 | -95.2 | 0 | 0 | 0 | 107.9 | F59 | F59-Y61 PolarHBondContact O-N 3.36Š| ||
| 62 | K | 36.2 | Very low | 37.6 | Very low | 182 Ų | 182 | 149 Ų | 149 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | -44.6 | 143.8 | -175.2 | -64.1 | 178.9 | 175.3 | -175.5 | 0 | 110.9 | I64 | K62-I64 PolarHBondContact O-N 2.95Š| ||
| 63 | P | 41.6 | Very low | 37.5 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 69% | 0.688 | 76% | 0.759 | S | S | * | * | trans | -52.8 | 122 | 176.4 | 23.5 | -33 | 0 | 0 | 0 | 108.5 | I65 | P63-I65 HydrophobicContact CB-CG1 4.32Å; P63-I65 HydrophobicContact CG-CG1 4.35Å; P63-I65 PolarHBondContact O-N 3.05Å | ||
| 64 | I | 41 | Very low | 37.6 | Very low | 144 Ų | 144 | 146 Ų | 146 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | -64.9 | 91.9 | 164.8 | -65.4 | 170.5 | 0 | 0 | 0 | 104.6 | K62 T66 | K62-I64 PolarHBondContact O-N 2.95Å; I64-T66 HydrophobicContact CG2-CG2 3.95Å; I64-T66 PolarHBondContact O-N 2.95Å | ||
| 65 | I | 42.5 | Very low | 37.8 | Very low | 144 Ų | 144 | 142 Ų | 142 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | trans | -75.9 | 79.8 | 169.1 | -55.5 | 171.5 | 0 | 0 | 0 | 104.9 | P63 P67 | P63-I65 HydrophobicContact CB-CG1 4.32Å; P63-I65 HydrophobicContact CG-CG1 4.35Å; P63-I65 PolarHBondContact O-N 3.05Å; I65-P67 VanDerWaalsContact O-CD 3.3Å; I65-P67 WeakPolarHBondContact O-CD 3.41Å | ||
| 66 | T | 36.8 | Very low | 38 | Very low | 100 Ų | 100 | 137 Ų | 137 | 61% | 0.613 | 73% | 0.734 | S | S | * | * | trans | -61.3 | 118.4 | 161.2 | 31.9 | 0 | 0 | 0 | 0 | 107.2 | I64 T68 | I64-T66 HydrophobicContact CG2-CG2 3.95Å; I64-T66 PolarHBondContact O-N 2.95Å; T66-T68 PolarHBondContact O-N 3.08Å | ||
| 67 | P | 42 | Very low | 38 | Very low | 95 Ų | 95 | 140.1 Ų | 140.1 | 62% | 0.617 | 73% | 0.731 | S | S | * | * | trans | -68.2 | 98.4 | 174 | 28 | -32.1 | 0 | 0 | 0 | 108.5 | I65 Y69 | I65-P67 VanDerWaalsContact O-CD 3.3Å; I65-P67 WeakPolarHBondContact O-CD 3.41Å; P67-Y69 PolarHBondContact O-N 3.35Å | ||
| 68 | T | 34.4 | Very low | 37.8 | Very low | 123 Ų | 123 | 145 Ų | 145 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | trans | -65.4 | 113.1 | 163.3 | 45.4 | 0 | 0 | 0 | 0 | 107.6 | T66 G70 | T66-T68 PolarHBondContact O-N 3.08Å; T68-G70 PolarHBondContact O-N 3.45Å | ||
| 69 | Y | 39.7 | Very low | 38.3 | Very low | 225 Ų | 225 | 142.1 Ų | 142.1 | 88% | 0.882 | 73% | 0.726 | S | S | * | * | trans | -70.2 | 55.2 | 166 | -65.6 | -89.1 | 0 | 0 | 0 | 110.2 | P67 | P67-Y69 PolarHBondContact O-N 3.35Š| ||
| 70 | G | 32.5 | Very low | 38.6 | Very low | 47 Ų | 47 | 137.2 Ų | 137.2 | 49% | 0.485 | 71% | 0.71 | S | S | . | * | trans | -82.6 | 135.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | T68 V72 | T68-G70 PolarHBondContact O-N 3.45Å; G70-V72 PolarHBondContact O-N 2.58Å | ||
| 71 | V | 38.7 | Very low | 38.7 | Very low | 155 Ų | 155 | 134 Ų | 134 | 94% | 0.939 | 70% | 0.696 | S | S | * | * | trans | -66.1 | 73.2 | 175.1 | -176.7 | 0 | 0 | 0 | 0 | 108.6 | G73 | V71-G73 PolarHBondContact O-N 3.05Å; V71-G73 VanDerWaalsContact O-N 3.15Å | ||
| 72 | V | 40.8 | Very low | 38.9 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 67% | 0.673 | 68% | 0.675 | S | S | * | * | trans | -74.6 | 105.1 | 169 | -179.6 | 0 | 0 | 0 | 0 | 104.9 | G70 R74 | G70-V72 PolarHBondContact O-N 2.58Å; V72-R74 HydrophobicContact CG1-CG 4.08Å; V72-R74 PolarHBondContact O-N 3.14Å | ||
| 73 | G | 31.5 | Very low | 39.3 | Very low | 75 Ų | 75 | 121.5 Ų | 121.5 | 77% | 0.773 | 65% | 0.646 | S | S | * | * | trans | -63.2 | 60.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V71 S75 | V71-G73 PolarHBondContact O-N 3.05Å; V71-G73 VanDerWaalsContact O-N 3.15Å; G73-S75 PolarHBondContact O-N 3.42Å | ||
| 74 | R | 38.6 | Very low | 39.2 | Very low | 190 Ų | 190 | 121.1 Ų | 121.1 | 72% | 0.717 | 64% | 0.635 | S | S | * | * | trans | -64.6 | 110 | 161.9 | -71.9 | -169.2 | 173.5 | -156.8 | -2.1 | 105.5 | V72 P76 | V72-R74 HydrophobicContact CG1-CG 4.08Å; V72-R74 PolarHBondContact O-N 3.14Å; R74-P76 VanDerWaalsContact O-N 3.14Å | ||
| 75 | S | 36.9 | Very low | 39.3 | Very low | 99 Ų | 99 | 115 Ų | 115 | 69% | 0.692 | 61% | 0.605 | S | S | * | * | trans | -30.9 | 121.6 | 159.2 | 166.8 | 0 | 0 | 0 | 0 | 108.3 | G73 R77 | G73-S75 PolarHBondContact O-N 3.42Å; S75-R77 PolarHBondContact O-N 2.78Å | ||
| 76 | P | 40.6 | Very low | 39.2 | Very low | 67 Ų | 67 | 115.1 Ų | 115.1 | 44% | 0.435 | 60% | 0.596 | S | S | . | * | trans | -53.6 | 109.7 | -175.7 | -8.5 | 11 | 0 | 0 | 0 | 108 | R74 Y78 | R74-P76 VanDerWaalsContact O-N 3.14Å; P76-Y78 PolarHBondContact O-N 3Å | ||
| 77 | R | 38.2 | Very low | 39 | Very low | 175 Ų | 175 | 118 Ų | 118 | 66% | 0.66 | 60% | 0.596 | S | S | * | * | trans | -68.6 | 107.4 | 167.2 | -69.5 | -171.1 | 179.7 | 178 | -1.2 | 104.1 | S75 S79 D80 | S75-R77 PolarHBondContact O-N 2.78Å; R77-S79 PolarHBondContact O-N 2.86Å; R77-D80 PolarHBondContact O-N 3.29Å; R77-D80 VanDerWaalsContact O-N 3.07Å | ||
| 78 | Y | 36.8 | Very low | 38.6 | Very low | 204 Ų | 204 | 117.3 Ų | 117.3 | 80% | 0.8 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | 0.8 | 179.8 | -74.4 | -83.3 | 0 | 0 | 0 | 114.7 | P76 | P76-Y78 PolarHBondContact O-N 3Š|
| 79 | S | 45.5 | Very low | 38.4 | Very low | 81 Ų | 81 | 114.5 Ų | 114.5 | 57% | 0.566 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -17.3 | 173.5 | 68.5 | 0 | 0 | 0 | 0 | 115.3 | R77 | R77-S79 PolarHBondContact O-N 2.86Š|
| 80 | D | 42.7 | Very low | 37.9 | Very low | 100 Ų | 100 | 114.6 Ų | 114.6 | 54% | 0.535 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -93.9 | -23 | -167.8 | 78.5 | -14.5 | 0 | 0 | 0 | 115.6 | R77 | R77-D80 PolarHBondContact O-N 3.29Å; R77-D80 VanDerWaalsContact O-N 3.07Å |
| 81 | R | 37.7 | Very low | 38 | Very low | 173 Ų | 173 | 116.3 Ų | 116.3 | 65% | 0.653 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -78.4 | -23 | -179.5 | -77.7 | -173.2 | -164.4 | -172.5 | 3.6 | 113.6 | Y179 | R81-Y179 PolarHBondContact O-OH 3.26Š|
| 82 | Y | 42.6 | Very low | 37.6 | Very low | 108 Ų | 108 | 116 Ų | 116 | 42% | 0.424 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -142.2 | 110 | -178.3 | -64.6 | -83.8 | 0 | 0 | 0 | 108.6 | H84 V154 | Y82-H84 PolarHBondContact O-N 3.12Å; Y82-V154 HydrophobicContact CD1-CG2 4.38Å |
| 83 | P | 43.4 | Very low | 37.9 | Very low | 29 Ų | 29 | 120 Ų | 120 | 19% | 0.188 | 61% | 0.608 | C | S | . | * | trans | -61.1 | 112.9 | 168.8 | 27 | -32.2 | 0 | 0 | 0 | 106.2 | V85 A175 Y179 | P83-V85 PolarHBondContact O-N 3.15Å; P83-A175 HydrophobicContact CB-CB 3.86Å; P83-A175 HydrophobicContact CG-CB 3.85Å; P83-Y179 VanDerWaalsContact CD-CZ 3.45Å; P83-Y179 WeakPolarHBondContact CD-OH 3.49Å; P83-Y179 HydrophobicContact CG-CD2 3.76Å; P83-Y179 HydrophobicContact CG-CE2 3.45Å; P83-Y179 VanDerWaalsContact CG-CE2 3.45Å | ||
| 84 | H | 39.8 | Very low | 38.1 | Very low | 98 Ų | 98 | 121.2 Ų | 121.2 | 45% | 0.454 | 60% | 0.6 | S | S | . | * | trans | -59.1 | 107.7 | 165.8 | -76.4 | -95.6 | 0 | 0 | 0 | 106.4 | Y82 R86 R151 | Y82-H84 PolarHBondContact O-N 3.12Å; H84-R86 PolarHBondContact O-N 3.14Å; H84-R151 PolarHBondContact CE1-NH1 3.15Å; H84-R151 PolarHBondContact NE2-NH1 3.36Å | ||
| 85 | V | 43.9 | Very low | 38.3 | Very low | 16 Ų | 16 | 117 Ų | 117 | 10% | 0.097 | 60% | 0.597 | C | S | . | * | trans | -60.4 | 106.4 | 164.2 | 175.1 | 0 | 0 | 0 | 0 | 105.4 | P83 Y87 M157 L165 L171 | P83-V85 PolarHBondContact O-N 3.15Å; V85-Y87 HydrophobicContact CB-CE2 4.29Å; V85-Y87 HydrophobicContact CG1-CD2 4.19Å; V85-Y87 HydrophobicContact CG1-CE2 3.77Å; V85-Y87 PolarHBondContact O-N 3.25Å; V85-M157 HydrophobicContact CG2-CE 4.21Å; V85-L165 HydrophobicContact CG1-CD1 3.56Å; V85-L165 HydrophobicContact CG1-CD2 4.32Å; V85-L171 HydrophobicContact CG2-CD1 4.49Å | ||
| 86 | R | 39.9 | Very low | 38.3 | Very low | 146 Ų | 146 | 115.4 Ų | 115.4 | 55% | 0.551 | 60% | 0.597 | S | S | * | * | trans | -75.2 | 93.5 | -177.4 | -69.6 | -177.4 | 170.3 | -161.6 | -5.5 | 108 | H84 S88 | H84-R86 PolarHBondContact O-N 3.14Å; R86-S88 PolarHBondContact O-N 2.94Å | ||
| 87 | Y | 31.8 | Very low | 38 | Very low | 160 Ų | 160 | 120 Ų | 120 | 63% | 0.627 | 62% | 0.617 | S | S | * | * | trans | -75.6 | 78.3 | 160.5 | -65.1 | -82.5 | 0 | 0 | 0 | 108.1 | V85 | V85-Y87 HydrophobicContact CB-CE2 4.29Å; V85-Y87 HydrophobicContact CG1-CD2 4.19Å; V85-Y87 HydrophobicContact CG1-CE2 3.77Å; V85-Y87 PolarHBondContact O-N 3.25Å | ||
| 88 | S | 35.3 | Very low | 37.6 | Very low | 81 Ų | 81 | 116 Ų | 116 | 57% | 0.566 | 62% | 0.616 | S | S | * | * | trans | -150.3 | 81.8 | 159.1 | 68.3 | 0 | 0 | 0 | 0 | 107.2 | R86 Y90 | R86-S88 PolarHBondContact O-N 2.94Å; S88-Y90 PolarHBondContact O-N 2.56Å | ||
| 89 | G | 28.7 | Very low | 37.7 | Very low | 65 Ų | 65 | 114.2 Ų | 114.2 | 67% | 0.67 | 62% | 0.618 | S | S | * | * | trans | -61.2 | 111.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 90 | Y | 29.1 | Very low | 37.3 | Very low | 227 Ų | 227 | 117.2 Ų | 117.2 | 89% | 0.89 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 168.6 | 119.6 | 146.3 | -91.4 | -69.6 | 0 | 0 | 0 | 105.2 | S88 E92 | S88-Y90 PolarHBondContact O-N 2.56Å; Y90-E92 PolarHBondContact O-N 2.79Å |
| 91 | G | 36.1 | Very low | 36.9 | Very low | 83 Ų | 83 | 119 Ų | 119 | 86% | 0.856 | 64% | 0.636 | S | S | * | * | trans | -59.8 | 125.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 92 | E | 29.4 | Very low | 36.6 | Very low | 149 Ų | 149 | 120.3 Ų | 120.3 | 70% | 0.696 | 64% | 0.642 | S | S | * | * | trans | -140.7 | 117.7 | 160.6 | -155.6 | 173.8 | -152.9 | 0 | 0 | 106.9 | Y90 T94 | Y90-E92 PolarHBondContact O-N 2.79Å; E92-T94 PolarHBondContact O-N 3.12Å | ||
| 93 | E | 47.5 | Very low | 36.3 | Very low | 195 Ų | 195 | 120.1 Ų | 120.1 | 91% | 0.911 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -76.8 | 22.4 | -163.1 | -49.8 | -155.1 | -176.1 | 0 | 0 | 114 | ||
| 94 | T | 35.5 | Very low | 35.6 | Very low | 100 Ų | 100 | 123.5 Ų | 123.5 | 61% | 0.613 | 68% | 0.681 | S | S | * | * | trans | -132.7 | 88.4 | -179.7 | 28.7 | 0 | 0 | 0 | 0 | 110.8 | E92 G96 | E92-T94 PolarHBondContact O-N 3.12Å; T94-G96 PolarHBondContact O-N 3.17Å | ||
| 95 | P | 43.5 | Very low | 35.1 | Very low | 101 Ų | 101 | 126 Ų | 126 | 66% | 0.656 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 24.4 | -176.1 | 30.6 | -35.1 | 0 | 0 | 0 | 114.6 | ||
| 96 | G | 36.7 | Very low | 34.7 | Very low | 66 Ų | 66 | 133.8 Ų | 133.8 | 68% | 0.68 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | -19.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | T94 | T94-G96 PolarHBondContact O-N 3.17Š|
| 97 | L | 34.4 | Very low | 34.2 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -135.9 | 2 | -165.6 | -74.3 | 170.9 | 0 | 0 | 0 | 117.6 | I99 | L97-I99 PolarHBondContact O-N 2.95Š|
| 98 | S | 29.8 | Very low | 34.3 | Very low | 91 Ų | 91 | 139.8 Ų | 139.8 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | trans | -91.4 | 72.8 | 178.9 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 99 | I | 38.5 | Very low | 34.1 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -109.6 | 55.8 | 156.7 | -49.2 | 175.6 | 0 | 0 | 0 | 107.9 | L97 | L97-I99 PolarHBondContact O-N 2.95Š| ||
| 100 | I | 37.3 | Very low | 34.3 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -143.5 | 132.5 | 168.6 | -51.7 | 178.9 | 0 | 0 | 0 | 107.4 | ||||
| 101 | N | 33.7 | Very low | 34.5 | Very low | 137 Ų | 137 | 145.9 Ų | 145.9 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | 86.8 | 63.1 | 173.1 | -63.1 | -19.7 | 0 | 0 | 0 | 118.5 | ||||
| 102 | Y | 32.6 | Very low | 34.3 | Very low | 202 Ų | 202 | 146.6 Ų | 146.6 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | trans | -90.7 | 92.5 | 133.6 | -73.2 | -77.2 | 0 | 0 | 0 | 108.4 | ||||
| 103 | S | 34.7 | Very low | 34.6 | Very low | 103 Ų | 103 | 147.8 Ų | 147.8 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | -133.8 | 89.7 | 161.8 | 69.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 104 | S | 30.4 | Very low | 33.7 | Very low | 101 Ų | 101 | 144.9 Ų | 144.9 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | -122.5 | 110.2 | 161.4 | 61.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 105 | N | 27.7 | Very low | 33.8 | Very low | 149 Ų | 149 | 150.5 Ų | 150.5 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | 67.8 | 79.8 | 152.2 | -50.2 | -25.5 | 0 | 0 | 0 | 118.6 | ||||
| 106 | L | 35.5 | Very low | 33.6 | Very low | 181 Ų | 181 | 153.1 Ų | 153.1 | 95% | 0.948 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -139.3 | 141.5 | 135.8 | -83.5 | 113.4 | 0 | 0 | 0 | 109.1 | ||
| 107 | R | 29.7 | Very low | 33.9 | Very low | 217 Ų | 217 | 154 Ų | 154 | 82% | 0.819 | 76% | 0.756 | S | S | * | * | trans | -37.4 | 134.1 | -163.4 | -71.5 | -176.8 | 147.6 | -155.6 | -6.4 | 116.1 | N109 | R107-N109 PolarHBondContact O-N 3.37Š| ||
| 108 | R | 35 | Very low | 34.5 | Very low | 214 Ų | 214 | 153.9 Ų | 153.9 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | trans | -57.3 | 77.9 | 161 | -177.2 | -166.6 | -94.7 | -151.5 | -2.1 | 109.6 | ||||
| 109 | N | 31.4 | Very low | 35.1 | Very low | 139 Ų | 139 | 159 Ų | 159 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | -96.2 | 105.3 | 163.1 | -74.6 | -17.3 | 0 | 0 | 0 | 107.1 | R107 Y111 | R107-N109 PolarHBondContact O-N 3.37Å; N109-Y111 PolarHBondContact O-N 3.34Å | ||
| 110 | H | 32.3 | Very low | 35.4 | Very low | 143 Ų | 143 | 154 Ų | 154 | 66% | 0.662 | 73% | 0.73 | S | S | * | * | trans | -58.4 | 122.8 | 176.2 | -66.7 | -71 | 0 | 0 | 0 | 111.3 | ||||
| 111 | Y | 33 | Very low | 35.8 | Very low | 220 Ų | 220 | 154 Ų | 154 | 86% | 0.863 | 72% | 0.721 | S | S | * | * | -159 | 117.7 | 129 | -128.4 | -96.7 | 0 | 0 | 0 | 110.8 | N109 | N109-Y111 PolarHBondContact O-N 3.34Š| |||
| 112 | T | 31.1 | Very low | 36.3 | Very low | 98 Ų | 98 | 151.5 Ų | 151.5 | 60% | 0.601 | 71% | 0.706 | S | S | * | * | trans | 12.1 | 116.9 | 170 | 55.6 | 0 | 0 | 0 | 0 | 121.5 | N114 | T112-N114 PolarHBondContact O-N 2.65Š| ||
| 113 | Q | 35.6 | Very low | 36.8 | Very low | 174 Ų | 174 | 146.4 Ų | 146.4 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | -26.1 | 99.6 | 128.6 | -168.3 | 179.6 | 22.2 | 0 | 0 | 112.2 | |||||
| 114 | N | 30.2 | Very low | 37.4 | Very low | 133 Ų | 133 | 146 Ų | 146 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | trans | -138.6 | 95 | 149 | -84 | -44.9 | 0 | 0 | 0 | 105.3 | T112 K116 | T112-N114 PolarHBondContact O-N 2.65Å; N114-K116 PolarHBondContact O-N 2.78Å | ||
| 115 | Y | 37.7 | Very low | 38.2 | Very low | 218 Ų | 218 | 143.7 Ų | 143.7 | 86% | 0.855 | 66% | 0.661 | S | S | * | * | trans | -55.7 | 85 | 155.2 | -84.7 | -93.9 | 0 | 0 | 0 | 106.5 | P117 | Y115-P117 WeakPolarHBondContact O-CD 3.21Å; Y115-P117 VanDerWaalsContact O-N 3.17Å | ||
| 116 | K | 37.6 | Very low | 39 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | trans | -71 | 106.2 | 163.2 | -103.7 | 178.9 | 159.7 | -117.3 | 0 | 104.6 | N114 D120 | N114-K116 PolarHBondContact O-N 2.78Å; K116-D120 IonicContact NZ-OD2 3.03Å; K116-D120 PolarHBondContact NZ-OD2 3.07Å | ||
| 117 | P | 43.9 | Very low | 39.5 | Very low | 84 Ų | 84 | 137 Ų | 137 | 55% | 0.545 | 63% | 0.631 | S | S | . | * | trans | -65.7 | 147.4 | -167.5 | 28.5 | -32.5 | 0 | 0 | 0 | 108.5 | Y115 R119 D120 | Y115-P117 WeakPolarHBondContact O-CD 3.21Å; Y115-P117 VanDerWaalsContact O-N 3.17Å; P117-R119 PolarHBondContact O-N 3.18Å; P117-D120 PolarHBondContact O-N 3.15Å; P117-D120 VanDerWaalsContact O-N 3.12Å | ||
| 118 | F | 47.8 | Very low | 40.2 | Very low | 162 Ų | 162 | 132.4 Ų | 132.4 | 71% | 0.711 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -25.7 | -19.2 | 166.7 | -171.9 | -100.9 | 0 | 0 | 0 | 118.1 | Y121 | F118-Y121 PolarHBondContact O-N 2.85Š|
| 119 | R | 41.3 | Very low | 40.7 | Very low | 199 Ų | 199 | 131.9 Ų | 131.9 | 75% | 0.751 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -55.3 | -45.6 | 169.7 | -90.8 | -171.4 | 170.8 | 179.3 | -2.6 | 113.9 | P117 Y121 M122 D123 | P117-R119 PolarHBondContact O-N 3.18Å; R119-Y121 PolarHBondContact O-N 3.29Å; R119-M122 PolarHBondContact O-N 2.74Å; R119-M122 VanDerWaalsContact O-N 3.15Å; R119-D123 PolarHBondContact O-N 3.45Å |
| 120 | D | 44.8 | Very low | 41.3 | Very low | 62 Ų | 62 | 133.2 Ų | 133.2 | 33% | 0.332 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -56 | -46.5 | -179.5 | -82 | -4 | 0 | 0 | 0 | 107.9 | K116 P117 M122 D123 H124 | K116-D120 IonicContact NZ-OD2 3.03Å; K116-D120 PolarHBondContact NZ-OD2 3.07Å; P117-D120 PolarHBondContact O-N 3.15Å; P117-D120 VanDerWaalsContact O-N 3.12Å; D120-M122 VanDerWaalsContact C-N 3.25Å; D120-M122 PolarHBondContact O-N 3.01Å; D120-M122 VanDerWaalsContact O-N 3.12Å; D120-D123 WeakPolarHBondContact O-CA 3.16Å; D120-D123 WeakPolarHBondContact O-CB 3.26Å; D120-D123 PolarHBondContact O-N 2.69Å; D120-H124 PolarHBondContact O-CE1 2.83Å; D120-H124 PolarHBondContact O-N 2.81Å; D120-H124 VanDerWaalsContact O-N 3.14Å; D120-H124 PolarHBondContact O-ND1 2.69Å |
| 121 | Y | 45.8 | Very low | 41.7 | Very low | 141 Ų | 141 | 129.9 Ų | 129.9 | 55% | 0.553 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -55 | -32.8 | -177.6 | -155.8 | -97.4 | 0 | 0 | 0 | 114.9 | F118 R119 H124 T125 | F118-Y121 PolarHBondContact O-N 2.85Å; R119-Y121 PolarHBondContact O-N 3.29Å; Y121-H124 WeakPolarHBondContact CA-CE1 3.45Å; Y121-H124 WeakPolarHBondContact CA-NE2 3.43Å; Y121-H124 AromaticContact CD2-NE2 3.64Å; Y121-H124 PolarHBondContact N-CE1 3Å; Y121-T125 HydrophobicContact CE1-CG2 4.44Å; Y121-T125 WeakPolarHBondContact O-CG2 3.26Å; Y121-T125 PolarHBondContact O-N 2.73Å; Y121-T125 PolarHBondContact O-OG1 3.43Å |
| 122 | M | 43.9 | Very low | 42.2 | Very low | 85 Ų | 85 | 127.3 Ų | 127.3 | 42% | 0.419 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -75.3 | -38.2 | 173.9 | -68.5 | -70.2 | 105.3 | 0 | 0 | 111.8 | R119 D120 H124 T125 L126 | R119-M122 PolarHBondContact O-N 2.74Å; R119-M122 VanDerWaalsContact O-N 3.15Å; D120-M122 VanDerWaalsContact C-N 3.25Å; D120-M122 PolarHBondContact O-N 3.01Å; D120-M122 VanDerWaalsContact O-N 3.12Å; M122-H124 PolarHBondContact O-N 3.19Å; M122-T125 PolarHBondContact O-N 2.7Å; M122-T125 PolarHBondContact O-OG1 3.47Å; M122-T125 VanDerWaalsContact O-OG1 3.05Å; M122-L126 PolarHBondContact O-N 3.5Å; M122-L126 VanDerWaalsContact O-N 3.08Å |
| 123 | D | 43.4 | Very low | 42.8 | Very low | 95 Ų | 95 | 128.4 Ų | 128.4 | 51% | 0.508 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.3 | -39 | 179.6 | -66 | -24 | 0 | 0 | 0 | 111.8 | R119 D120 S127 | R119-D123 PolarHBondContact O-N 3.45Å; D120-D123 WeakPolarHBondContact O-CA 3.16Å; D120-D123 WeakPolarHBondContact O-CB 3.26Å; D120-D123 PolarHBondContact O-N 2.69Å; D123-S127 WeakPolarHBondContact O-CB 3.19Å; D123-S127 PolarHBondContact O-N 3.21Å; D123-S127 PolarHBondContact O-OG 3.07Å |
| 124 | H | 46.5 | Very low | 43.2 | Very low | 95 Ų | 95 | 129.8 Ų | 129.8 | 44% | 0.44 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -76.8 | -26.5 | 177.3 | 32.1 | -72.7 | 0 | 0 | 0 | 114 | D120 Y121 M122 L128 | D120-H124 PolarHBondContact O-CE1 2.83Å; D120-H124 PolarHBondContact O-N 2.81Å; D120-H124 VanDerWaalsContact O-N 3.14Å; D120-H124 PolarHBondContact O-ND1 2.69Å; Y121-H124 WeakPolarHBondContact CA-CE1 3.45Å; Y121-H124 WeakPolarHBondContact CA-NE2 3.43Å; Y121-H124 AromaticContact CD2-NE2 3.64Å; Y121-H124 PolarHBondContact N-CE1 3Å; M122-H124 PolarHBondContact O-N 3.19Å; H124-L128 VanDerWaalsContact O-CD1 3.26Å; H124-L128 WeakPolarHBondContact O-CD1 3.41Å; H124-L128 WeakPolarHBondContact O-CG 3.44Å; H124-L128 PolarHBondContact O-N 2.71Å |
| 125 | T | 47.6 | Very low | 44 | Very low | 53 Ų | 53 | 130.3 Ų | 130.3 | 33% | 0.325 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -74.7 | -32.6 | 174.3 | 49.1 | 0 | 0 | 0 | 0 | 112.6 | Y121 M122 Y129 | Y121-T125 HydrophobicContact CE1-CG2 4.44Å; Y121-T125 WeakPolarHBondContact O-CG2 3.26Å; Y121-T125 PolarHBondContact O-N 2.73Å; Y121-T125 PolarHBondContact O-OG1 3.43Å; M122-T125 PolarHBondContact O-N 2.7Å; M122-T125 PolarHBondContact O-OG1 3.47Å; M122-T125 VanDerWaalsContact O-OG1 3.05Å; T125-Y129 WeakPolarHBondContact O-CD2 3.2Å |
| 126 | L | 44 | Very low | 44.2 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 64% | 0.639 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -79.6 | -34.2 | 173.8 | -67 | 172.7 | 0 | 0 | 0 | 112.9 | M122 L128 Y129 | M122-L126 PolarHBondContact O-N 3.5Å; M122-L126 VanDerWaalsContact O-N 3.08Å; L126-L128 VanDerWaalsContact C-N 3.31Å; L126-L128 PolarHBondContact O-N 3.35Å; L126-Y129 PolarHBondContact O-N 2.9Å |
| 127 | S | 47.1 | Very low | 44.7 | Very low | 67 Ų | 67 | 123.3 Ų | 123.3 | 47% | 0.469 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67 | -28.9 | 178.2 | -59.2 | 0 | 0 | 0 | 0 | 113.6 | D123 Y129 H130 T131 | D123-S127 WeakPolarHBondContact O-CB 3.19Å; D123-S127 PolarHBondContact O-N 3.21Å; D123-S127 PolarHBondContact O-OG 3.07Å; S127-Y129 VanDerWaalsContact C-N 3.27Å; S127-Y129 PolarHBondContact O-N 2.99Å; S127-H130 PolarHBondContact O-N 2.93Å; S127-T131 PolarHBondContact O-N 3.11Å |
| 128 | L | 45.2 | Very low | 44.6 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 63% | 0.634 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -28.8 | 179.1 | -78.8 | 163.7 | 0 | 0 | 0 | 112.7 | H124 L126 H130 | H124-L128 VanDerWaalsContact O-CD1 3.26Å; H124-L128 WeakPolarHBondContact O-CD1 3.41Å; H124-L128 WeakPolarHBondContact O-CG 3.44Å; H124-L128 PolarHBondContact O-N 2.71Å; L126-L128 VanDerWaalsContact C-N 3.31Å; L126-L128 PolarHBondContact O-N 3.35Å; L128-H130 VanDerWaalsContact C-N 3.29Å; L128-H130 PolarHBondContact O-N 2.95Å |
| 129 | Y | 43.5 | Very low | 44.4 | Very low | 203 Ų | 203 | 127.7 Ų | 127.7 | 80% | 0.796 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -13.7 | 177.4 | -76.7 | -80.7 | 0 | 0 | 0 | 113.9 | T125 L126 S127 | T125-Y129 WeakPolarHBondContact O-CD2 3.2Å; L126-Y129 PolarHBondContact O-N 2.9Å; S127-Y129 VanDerWaalsContact C-N 3.27Å; S127-Y129 PolarHBondContact O-N 2.99Å |
| 130 | H | 44.4 | Very low | 44.3 | Very low | 167 Ų | 167 | 121.2 Ų | 121.2 | 77% | 0.773 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | -6.8 | -174.9 | -77 | 8 | 0 | 0 | 0 | 114.5 | S127 L128 | S127-H130 PolarHBondContact O-N 2.93Å; L128-H130 VanDerWaalsContact C-N 3.29Å; L128-H130 PolarHBondContact O-N 2.95Å |
| 131 | T | 42 | Very low | 44.3 | Very low | 72 Ų | 72 | 128.8 Ų | 128.8 | 44% | 0.442 | 66% | 0.656 | S | S | . | * | trans | -100.2 | 106.4 | 175.4 | 61.8 | 0 | 0 | 0 | 0 | 109 | S127 L133 | S127-T131 PolarHBondContact O-N 3.11Å; T131-L133 HydrophobicContact CG2-CD1 4.32Å; T131-L133 PolarHBondContact O-N 2.78Å | ||
| 132 | N | 41.9 | Very low | 44.1 | Very low | 167 Ų | 167 | 127.3 Ų | 127.3 | 89% | 0.893 | 67% | 0.666 | S | S | * | * | trans | -65.8 | 30.9 | 165.5 | -70.9 | -59.1 | 0 | 0 | 0 | 112 | K134 | N132-K134 PolarHBondContact O-N 3.03Å; N132-K134 VanDerWaalsContact O-N 3.16Å | ||
| 133 | L | 45.4 | Very low | 44.4 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 63% | 0.634 | 68% | 0.683 | S | S | * | * | trans | -81.1 | 97.6 | 176.2 | -70.2 | 172.4 | 0 | 0 | 0 | 106.6 | T131 L135 | T131-L133 HydrophobicContact CG2-CD1 4.32Å; T131-L133 PolarHBondContact O-N 2.78Å; L133-L135 HydrophobicContact CB-CG 4.42Å; L133-L135 PolarHBondContact O-N 2.79Å | ||
| 134 | K | 42.8 | Very low | 44.7 | Very low | 202 Ų | 202 | 130.2 Ų | 130.2 | 88% | 0.878 | 69% | 0.687 | S | S | * | * | trans | -62 | 78.4 | 165.1 | -66 | 179.8 | -180 | 179.5 | 0 | 108.6 | N132 T136 | N132-K134 PolarHBondContact O-N 3.03Å; N132-K134 VanDerWaalsContact O-N 3.16Å; K134-T136 VanDerWaalsContact C-N 3.29Å; K134-T136 PolarHBondContact O-N 3.42Å | ||
| 135 | L | 48.2 | Very low | 44.4 | Very low | 145 Ų | 145 | 137.2 Ų | 137.2 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | trans | -74.2 | 92.9 | 166.9 | -64.5 | 178.1 | 0 | 0 | 0 | 106.2 | L133 P137 | L133-L135 HydrophobicContact CB-CG 4.42Å; L133-L135 PolarHBondContact O-N 2.79Å; L135-P137 WeakPolarHBondContact O-CD 3.19Å | ||
| 136 | T | 42.1 | Very low | 44.5 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 80% | 0.798 | 73% | 0.732 | S | S | * | * | trans | -52.4 | 110 | 165.7 | 30.2 | 0 | 0 | 0 | 0 | 108 | K134 S138 | K134-T136 VanDerWaalsContact C-N 3.29Å; K134-T136 PolarHBondContact O-N 3.42Å; T136-S138 PolarHBondContact O-N 2.94Å | ||
| 137 | P | 47.5 | Very low | 44.6 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 62% | 0.623 | 73% | 0.73 | S | S | * | * | trans | -66.4 | 114.5 | 178.3 | 26.5 | -30.3 | 0 | 0 | 0 | 107.2 | L135 Y139 | L135-P137 WeakPolarHBondContact O-CD 3.19Å; P137-Y139 HydrophobicContact CG-CE2 4.28Å; P137-Y139 VanDerWaalsContact O-CD2 3.26Å; P137-Y139 WeakPolarHBondContact O-CD2 3.33Å; P137-Y139 PolarHBondContact O-N 2.83Å | ||
| 138 | S | 40.4 | Very low | 44.6 | Very low | 110 Ų | 110 | 146 Ų | 146 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -60.6 | 105.9 | 166 | -179.1 | 0 | 0 | 0 | 0 | 106.8 | T136 G140 | T136-S138 PolarHBondContact O-N 2.94Å; S138-G140 PolarHBondContact O-N 3.17Å | ||
| 139 | Y | 45.6 | Very low | 45 | Very low | 228 Ų | 228 | 145 Ų | 145 | 89% | 0.894 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -64.3 | 79.7 | -178.6 | -87.4 | -97.5 | 0 | 0 | 0 | 110 | P137 | P137-Y139 HydrophobicContact CG-CE2 4.28Å; P137-Y139 VanDerWaalsContact O-CD2 3.26Å; P137-Y139 WeakPolarHBondContact O-CD2 3.33Å; P137-Y139 PolarHBondContact O-N 2.83Å |
| 140 | G | 38 | Very low | 45 | Very low | 64 Ų | 64 | 141.9 Ų | 141.9 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | trans | -136.6 | 0.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S138 S142 | S138-G140 PolarHBondContact O-N 3.17Å; G140-S142 PolarHBondContact O-N 2.96Å | ||
| 141 | Y | 44.1 | Very low | 45.2 | Very low | 221 Ų | 221 | 138.1 Ų | 138.1 | 87% | 0.867 | 73% | 0.725 | S | S | * | * | trans | -71.8 | 93.6 | 173.4 | -89.9 | -86.4 | 0 | 0 | 0 | 109.4 | L143 | Y141-L143 PolarHBondContact O-N 2.88Š| ||
| 142 | S | 41.8 | Very low | 45.4 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | trans | -63.4 | 115.9 | 156.6 | 63.2 | 0 | 0 | 0 | 0 | 106.8 | G140 | G140-S142 PolarHBondContact O-N 2.96Š| ||
| 143 | L | 50.4 | Low | 45.6 | Very low | 150 Ų | 150 | 135 Ų | 135 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | trans | -50.3 | 130.5 | 170.4 | -73 | 160.5 | 0 | 0 | 0 | 107.1 | Y141 R145 | Y141-L143 PolarHBondContact O-N 2.88Å; L143-R145 PolarHBondContact O-N 2.96Å | ||
| 144 | P | 50.3 | Low | 45.9 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 59% | 0.591 | 68% | 0.679 | S | S | * | * | trans | -51.7 | 113.1 | 169.3 | -20.8 | 30.2 | 0 | 0 | 0 | 106.2 | Y146 | P144-Y146 VanDerWaalsContact C-N 3.27Å; P144-Y146 WeakPolarHBondContact O-CD2 3.48Å; P144-Y146 PolarHBondContact O-N 3.08Å | ||
| 145 | R | 40.4 | Very low | 46.4 | Very low | 243 Ų | 243 | 127.5 Ų | 127.5 | 92% | 0.917 | 67% | 0.671 | S | S | * | * | trans | -58.9 | 104.8 | 170.6 | -84.2 | -173.6 | -178.7 | -133.5 | 1.9 | 104.2 | L143 G147 | L143-R145 PolarHBondContact O-N 2.96Å; R145-G147 PolarHBondContact O-N 2.98Å | ||
| 146 | Y | 49.9 | Very low | 47 | Very low | 204 Ų | 204 | 128.7 Ų | 128.7 | 80% | 0.8 | 67% | 0.672 | S | S | * | * | trans | -65.9 | 67.3 | 160.8 | -63.8 | -84.3 | 0 | 0 | 0 | 106.7 | P144 H148 | P144-Y146 VanDerWaalsContact C-N 3.27Å; P144-Y146 WeakPolarHBondContact O-CD2 3.48Å; P144-Y146 PolarHBondContact O-N 3.08Å; Y146-H148 PolarHBondContact O-N 3.32Å | ||
| 147 | G | 45.9 | Very low | 48.6 | Very low | 56 Ų | 56 | 123.9 Ų | 123.9 | 58% | 0.577 | 64% | 0.641 | S | S | * | * | trans | -51.6 | 125 | 157.3 | 0 | 0 | 0 | 0 | 0 | 104.8 | R145 | R145-G147 PolarHBondContact O-N 2.98Š| ||
| 148 | H | 47.1 | Very low | 50.1 | Low | 165 Ų | 165 | 120.9 Ų | 120.9 | 76% | 0.764 | 63% | 0.628 | S | S | * | * | trans | -51.8 | 133 | -175.8 | -36.9 | -18.6 | 0 | 0 | 0 | 105.6 | Y146 V150 | Y146-H148 PolarHBondContact O-N 3.32Å; H148-V150 WeakPolarHBondContact O-CG2 3.01Å; H148-V150 PolarHBondContact O-N 2.94Å | ||
| 149 | P | 52.7 | Low | 52.2 | Low | 100 Ų | 100 | 118.6 Ų | 118.6 | 65% | 0.649 | 61% | 0.609 | S | S | * | * | trans | -55.4 | 106.4 | -172 | 22.6 | -33.5 | 0 | 0 | 0 | 108 | R151 | P149-R151 HydrophobicContact CB-CG 4.28Å; P149-R151 PolarHBondContact O-N 3.33Å | ||
| 150 | V | 44.4 | Very low | 54.2 | Low | 138 Ų | 138 | 112.2 Ų | 112.2 | 84% | 0.836 | 59% | 0.591 | S | S | * | * | trans | -73.6 | 80.7 | 175.1 | -177.6 | 0 | 0 | 0 | 0 | 104.3 | H148 P152 | H148-V150 WeakPolarHBondContact O-CG2 3.01Å; H148-V150 PolarHBondContact O-N 2.94Å; V150-P152 WeakPolarHBondContact O-CD 3.19Å | ||
| 151 | R | 48.3 | Very low | 56.5 | Low | 88 Ų | 88 | 113.7 Ų | 113.7 | 33% | 0.332 | 58% | 0.584 | S | S | . | * | trans | -71 | 111.4 | 177 | -79.1 | 179.5 | 166.3 | -138.4 | 4.9 | 106.6 | H84 P149 Y153 | H84-R151 PolarHBondContact CE1-NH1 3.15Å; H84-R151 PolarHBondContact NE2-NH1 3.36Å; P149-R151 HydrophobicContact CB-CG 4.28Å; P149-R151 PolarHBondContact O-N 3.33Å; R151-Y153 HydrophobicContact CB-CD1 4.19Å; R151-Y153 HydrophobicContact CB-CD2 4.31Å; R151-Y153 HydrophobicContact CB-CE1 3.63Å; R151-Y153 HydrophobicContact CB-CE2 3.76Å; R151-Y153 VanDerWaalsContact CB-CZ 3.43Å; R151-Y153 WeakPolarHBondContact CD-OH 3.3Å; R151-Y153 HydrophobicContact CG-CE1 3.89Å; R151-Y153 HydrophobicContact CG-CE2 4.13Å; R151-Y153 VanDerWaalsContact CG-CZ 3.47Å; R151-Y153 WeakPolarHBondContact CG-OH 3.21Å; R151-Y153 PolarHBondContact NE-OH 2.98Å; R151-Y153 VanDerWaalsContact NE-OH 3.11Å; R151-Y153 PolarHBondContact NH1-OH 2.93Å; R151-Y153 PolarHBondContact O-N 3.47Å | ||
| 152 | P | 47.1 | Very low | 58.4 | Low | 95 Ų | 95 | 103.2 Ų | 103.2 | 62% | 0.617 | 54% | 0.542 | S | S | * | . | trans | -71.2 | 7.4 | -167.4 | 25.5 | -33.4 | 0 | 0 | 0 | 115.7 | V150 | V150-P152 WeakPolarHBondContact O-CD 3.19Š| ||
| 153 | Y | 45.8 | Very low | 60.5 | Low | 78 Ų | 78 | 98.4 Ų | 98.4 | 31% | 0.306 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -117.3 | 27.9 | -151.6 | 39.6 | -102.2 | 0 | 0 | 0 | 117.8 | R151 | R151-Y153 HydrophobicContact CB-CD1 4.19Å; R151-Y153 HydrophobicContact CB-CD2 4.31Å; R151-Y153 HydrophobicContact CB-CE1 3.63Å; R151-Y153 HydrophobicContact CB-CE2 3.76Å; R151-Y153 VanDerWaalsContact CB-CZ 3.43Å; R151-Y153 WeakPolarHBondContact CD-OH 3.3Å; R151-Y153 HydrophobicContact CG-CE1 3.89Å; R151-Y153 HydrophobicContact CG-CE2 4.13Å; R151-Y153 VanDerWaalsContact CG-CZ 3.47Å; R151-Y153 WeakPolarHBondContact CG-OH 3.21Å; R151-Y153 PolarHBondContact NE-OH 2.98Å; R151-Y153 VanDerWaalsContact NE-OH 3.11Å; R151-Y153 PolarHBondContact NH1-OH 2.93Å; R151-Y153 PolarHBondContact O-N 3.47Å |
| 154 | V | 50.9 | Low | 62.3 | Low | 11 Ų | 11 | 95 Ų | 95 | 7% | 0.067 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -135.9 | -42.1 | 169.3 | -174.9 | 0 | 0 | 0 | 0 | 113.4 | Y82 H156 Y179 W180 | Y82-V154 HydrophobicContact CD1-CG2 4.38Å; V154-H156 VanDerWaalsContact C-N 3.33Å; V154-H156 PolarHBondContact O-N 2.96Å; V154-Y179 HydrophobicContact CG1-CD1 3.59Å; V154-Y179 HydrophobicContact CG1-CE1 4.24Å; V154-Y179 HydrophobicContact CG1-CG 3.74Å; V154-W180 HydrophobicContact CG1-CH2 3.72Å; V154-W180 HydrophobicContact CG1-CZ2 3.85Å; V154-W180 HydrophobicContact CG1-CZ3 4.46Å; V154-W180 WeakPolarHBondContact O-CZ2 3.4Å |
| 155 | H | 53.1 | Low | 64 | Low | 156 Ų | 156 | 91.6 Ų | 91.6 | 72% | 0.722 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -15.3 | -172.6 | -96.3 | -67.7 | 0 | 0 | 0 | 115.7 | ||
| 156 | H | 60.4 | Low | 66.1 | Low | 169 Ų | 169 | 84.6 Ų | 84.6 | 78% | 0.782 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -5.9 | -177.3 | -58.3 | -60.6 | 0 | 0 | 0 | 114 | V154 | V154-H156 VanDerWaalsContact C-N 3.33Å; V154-H156 PolarHBondContact O-N 2.96Å |
| 157 | M | 75.5 | Confident | 67.8 | Low | 29 Ų | 29 | 79.9 Ų | 79.9 | 14% | 0.143 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -76.1 | 129.9 | 178.8 | -174.2 | 163.9 | 77.6 | 0 | 0 | 109.7 | V85 D161 A162 L165 L171 W180 | V85-M157 HydrophobicContact CG2-CE 4.21Å; M157-D161 HydrophobicContact CG-CB 3.65Å; M157-D161 HydrophobicContact SD-CB 4.19Å; M157-A162 HydrophobicContact CE-CB 3.56Å; M157-L165 HydrophobicContact CE-CD1 3.68Å; M157-L165 HydrophobicContact SD-CD1 3.35Å; M157-L165 WeakPolarHBondContact SD-CD1 3.45Å; M157-L171 HydrophobicContact CE-CD1 3.95Å; M157-W180 HydrophobicContact CB-CZ2 3.89Å; M157-W180 HydrophobicContact CE-CD2 4.27Å; M157-W180 HydrophobicContact CE-CH2 3.37Å; M157-W180 HydrophobicContact CE-CZ2 3.04Å; M157-W180 HydrophobicContact CE-CZ3 4.13Å; M157-W180 HydrophobicContact CG-CZ2 4.35Å; M157-W180 PolarHBondContact O-NE1 3.04Å; M157-W180 HydrophobicContact SD-CZ2 4.33Å |
| 158 | G | 80.8 | Confident | 69.8 | Low | 34 Ų | 34 | 84.3 Ų | 84.3 | 35% | 0.351 | 43% | 0.429 | S | S | . | . | trans | -62.5 | 158.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D160 D161 A162 | G158-D160 VanDerWaalsContact C-N 3.3Å; G158-D160 PolarHBondContact O-N 3.43Å; G158-D161 PolarHBondContact O-N 3.44Å; G158-A162 PolarHBondContact O-N 2.86Å; G158-A162 VanDerWaalsContact O-N 3.13Å | ||
| 159 | V | 84.3 | Confident | 71.5 | Confident | 62 Ų | 62 | 87.6 Ų | 87.6 | 38% | 0.376 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 176.6 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | A162 I163 W180 L181 | V159-A162 WeakPolarHBondContact O-CB 3.26Å; V159-A162 PolarHBondContact O-N 3.41Å; V159-I163 HydrophobicContact CG1-CD1 4Å; V159-I163 VanDerWaalsContact O-CG1 3.31Å; V159-I163 WeakPolarHBondContact O-CG1 3.39Å; V159-I163 PolarHBondContact O-N 2.83Å; V159-W180 HydrophobicContact CG2-CB 4.48Å; V159-L181 HydrophobicContact CG1-CD2 4.34Å |
| 160 | D | 86.7 | Confident | 72.8 | Confident | 94 Ų | 94 | 84.4 Ų | 84.4 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65 | -44.9 | 179.6 | -60.4 | -56.4 | 0 | 0 | 0 | 111.5 | G158 A162 I163 D164 R217 | G158-D160 VanDerWaalsContact C-N 3.3Å; G158-D160 PolarHBondContact O-N 3.43Å; D160-A162 VanDerWaalsContact C-N 3.28Å; D160-A162 PolarHBondContact O-N 2.97Å; D160-I163 WeakPolarHBondContact O-CB 3.49Å; D160-I163 PolarHBondContact O-N 3.09Å; D160-I163 VanDerWaalsContact O-N 3.13Å; D160-D164 PolarHBondContact O-N 2.63Å; D160-R217 IonicContact OD1-NH1 3Å; D160-R217 PolarHBondContact OD1-NH1 3.03Å |
| 161 | D | 86.6 | Confident | 74.6 | Confident | 95 Ų | 95 | 78.6 Ų | 78.6 | 51% | 0.508 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.1 | -39 | 174.8 | -62.4 | -24.6 | 0 | 0 | 0 | 112.1 | M157 G158 I163 D164 L165 | M157-D161 HydrophobicContact CG-CB 3.65Å; M157-D161 HydrophobicContact SD-CB 4.19Å; G158-D161 PolarHBondContact O-N 3.44Å; D161-I163 VanDerWaalsContact C-N 3.35Å; D161-D164 PolarHBondContact O-N 2.75Å; D161-L165 WeakPolarHBondContact O-CG 3.38Å; D161-L165 PolarHBondContact O-N 3.41Å |
| 162 | A | 84 | Confident | 76.4 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M157 G158 V159 D160 L165 Y166 L176 W180 | M157-A162 HydrophobicContact CE-CB 3.56Å; G158-A162 PolarHBondContact O-N 2.86Å; G158-A162 VanDerWaalsContact O-N 3.13Å; V159-A162 WeakPolarHBondContact O-CB 3.26Å; V159-A162 PolarHBondContact O-N 3.41Å; D160-A162 VanDerWaalsContact C-N 3.28Å; D160-A162 PolarHBondContact O-N 2.97Å; A162-L165 PolarHBondContact O-N 3.3Å; A162-Y166 PolarHBondContact O-N 3.04Å; A162-L176 HydrophobicContact CB-CD1 3.71Å; A162-W180 HydrophobicContact CB-CB 4.19Å; A162-W180 HydrophobicContact CB-CD2 3.47Å; A162-W180 VanDerWaalsContact CB-CD2 3.47Å; A162-W180 HydrophobicContact CB-CE3 4.01Å; A162-W180 HydrophobicContact CB-CG 3.51Å |
| 163 | I | 86.7 | Confident | 78.2 | Confident | 8 Ų | 8 | 77.1 Ų | 77.1 | 4% | 0.041 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 175.5 | -67.9 | 164 | 0 | 0 | 0 | 110.2 | V159 D160 D161 L165 Y166 K167 L176 F214 | V159-I163 HydrophobicContact CG1-CD1 4Å; V159-I163 VanDerWaalsContact O-CG1 3.31Å; V159-I163 WeakPolarHBondContact O-CG1 3.39Å; V159-I163 PolarHBondContact O-N 2.83Å; D160-I163 WeakPolarHBondContact O-CB 3.49Å; D160-I163 PolarHBondContact O-N 3.09Å; D160-I163 VanDerWaalsContact O-N 3.13Å; D161-I163 VanDerWaalsContact C-N 3.35Å; I163-L165 VanDerWaalsContact C-N 3.35Å; I163-L165 PolarHBondContact O-N 3.09Å; I163-Y166 WeakPolarHBondContact O-CB 3.47Å; I163-Y166 PolarHBondContact O-N 3.28Å; I163-Y166 VanDerWaalsContact O-N 3.16Å; I163-K167 HydrophobicContact CG2-CD 4.36Å; I163-K167 WeakPolarHBondContact O-CG 3.33Å; I163-K167 PolarHBondContact O-N 2.96Å; I163-L176 HydrophobicContact CG1-CD1 4.45Å; I163-F214 HydrophobicContact CD1-CE2 3.98Å |
| 164 | D | 87.9 | Confident | 80 | Confident | 78 Ų | 78 | 77.3 Ų | 77.3 | 42% | 0.417 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 177.3 | -84.1 | -0.4 | 0 | 0 | 0 | 112.3 | D160 D161 Y166 K167 K168 | D160-D164 PolarHBondContact O-N 2.63Å; D161-D164 PolarHBondContact O-N 2.75Å; D164-Y166 VanDerWaalsContact C-N 3.32Å; D164-K167 PolarHBondContact O-N 3.03Å; D164-K168 WeakPolarHBondContact O-CB 3.31Å; D164-K168 VanDerWaalsContact O-CG 3.29Å; D164-K168 WeakPolarHBondContact O-CG 3.5Å; D164-K168 PolarHBondContact O-N 2.99Å |
| 165 | L | 85.6 | Confident | 81.5 | Confident | 21 Ų | 21 | 77 Ų | 77 | 11% | 0.11 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.7 | -34.7 | 173.4 | -74.6 | 165.4 | 0 | 0 | 0 | 112.6 | V85 M157 D161 A162 I163 K168 R169 C170 L171 | V85-L165 HydrophobicContact CG1-CD1 3.56Å; V85-L165 HydrophobicContact CG1-CD2 4.32Å; M157-L165 HydrophobicContact CE-CD1 3.68Å; M157-L165 HydrophobicContact SD-CD1 3.35Å; M157-L165 WeakPolarHBondContact SD-CD1 3.45Å; D161-L165 WeakPolarHBondContact O-CG 3.38Å; D161-L165 PolarHBondContact O-N 3.41Å; A162-L165 PolarHBondContact O-N 3.3Å; I163-L165 VanDerWaalsContact C-N 3.35Å; I163-L165 PolarHBondContact O-N 3.09Å; L165-K168 CarbonylContact O-C 3.55Å; L165-K168 PolarHBondContact O-N 3.24Å; L165-R169 PolarHBondContact O-N 3.35Å; L165-C170 HydrophobicContact CB-CB 4.34Å; L165-C170 HydrophobicContact CD2-CB 3.76Å; L165-C170 PolarHBondContact O-N 3.38Å; L165-L171 HydrophobicContact CB-CB 4.07Å; L165-L171 HydrophobicContact CB-CD1 4.43Å; L165-L171 PolarHBondContact O-N 2.87Å |
| 166 | Y | 84.2 | Confident | 82.9 | Confident | 95 Ų | 95 | 70.1 Ų | 70.1 | 37% | 0.373 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | 172.2 | 176 | -106 | 0 | 0 | 0 | 111.2 | A162 I163 D164 K168 R169 L176 | A162-Y166 PolarHBondContact O-N 3.04Å; I163-Y166 WeakPolarHBondContact O-CB 3.47Å; I163-Y166 PolarHBondContact O-N 3.28Å; I163-Y166 VanDerWaalsContact O-N 3.16Å; D164-Y166 VanDerWaalsContact C-N 3.32Å; Y166-K168 VanDerWaalsContact C-N 3.27Å; Y166-K168 PolarHBondContact O-N 3.39Å; Y166-R169 PolarHBondContact O-N 2.96Å; Y166-L176 HydrophobicContact CD1-CD2 4.09Å; Y166-L176 HydrophobicContact CD2-CD2 4.32Å; Y166-L176 HydrophobicContact CG-CD2 3.88Å |
| 167 | K | 86.2 | Confident | 84 | Confident | 106 Ų | 106 | 65.6 Ų | 65.6 | 46% | 0.461 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.8 | -39.8 | 173.5 | -72.1 | 178.5 | 178.3 | -177.7 | 0 | 111.6 | I163 D164 R169 R217 | I163-K167 HydrophobicContact CG2-CD 4.36Å; I163-K167 WeakPolarHBondContact O-CG 3.33Å; I163-K167 PolarHBondContact O-N 2.96Å; D164-K167 PolarHBondContact O-N 3.03Å; K167-R169 PolarHBondContact O-N 2.95Å; K167-R217 PolarHBondContact NZ-O 2.83Å |
| 168 | K | 87.1 | Confident | 84.4 | Confident | 149 Ų | 149 | 70.1 Ų | 70.1 | 65% | 0.648 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 2.2 | 175.7 | -69.2 | 172.8 | -177.6 | 173.3 | 0 | 114.5 | D164 L165 Y166 C170 | D164-K168 WeakPolarHBondContact O-CB 3.31Å; D164-K168 VanDerWaalsContact O-CG 3.29Å; D164-K168 WeakPolarHBondContact O-CG 3.5Å; D164-K168 PolarHBondContact O-N 2.99Å; L165-K168 CarbonylContact O-C 3.55Å; L165-K168 PolarHBondContact O-N 3.24Å; Y166-K168 VanDerWaalsContact C-N 3.27Å; Y166-K168 PolarHBondContact O-N 3.39Å; K168-C170 PolarHBondContact O-N 2.79Å |
| 169 | R | 82.4 | Confident | 84.5 | Confident | 233 Ų | 233 | 71.2 Ų | 71.2 | 88% | 0.879 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 18.1 | -175.4 | -55.3 | -177.4 | 174.4 | 176.9 | -0.9 | 114.7 | L165 Y166 K167 L171 | L165-R169 PolarHBondContact O-N 3.35Å; Y166-R169 PolarHBondContact O-N 2.96Å; K167-R169 PolarHBondContact O-N 2.95Å; R169-L171 VanDerWaalsContact C-N 3.27Å |
| 170 | C | 81.7 | Confident | 84.4 | Confident | 34 Ų | 34 | 69.6 Ų | 69.6 | 23% | 0.23 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -82.8 | -7.7 | 176.2 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | L165 K168 | L165-C170 HydrophobicContact CB-CB 4.34Å; L165-C170 HydrophobicContact CD2-CB 3.76Å; L165-C170 PolarHBondContact O-N 3.38Å; K168-C170 PolarHBondContact O-N 2.79Å |
| 171 | L | 81.2 | Confident | 84.1 | Confident | 15 Ų | 15 | 68.3 Ų | 68.3 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -138.6 | 136.5 | -173.4 | -168.9 | 141.5 | 0 | 0 | 0 | 110.3 | V85 M157 L165 R169 A175 L176 W180 | V85-L171 HydrophobicContact CG2-CD1 4.49Å; M157-L171 HydrophobicContact CE-CD1 3.95Å; L165-L171 HydrophobicContact CB-CB 4.07Å; L165-L171 HydrophobicContact CB-CD1 4.43Å; L165-L171 PolarHBondContact O-N 2.87Å; R169-L171 VanDerWaalsContact C-N 3.27Å; L171-A175 HydrophobicContact CD2-CB 4.22Å; L171-A175 HydrophobicContact CG-CB 4.31Å; L171-L176 HydrophobicContact CD2-CB 3.49Å; L171-L176 VanDerWaalsContact CD2-CB 3.49Å; L171-L176 HydrophobicContact CD2-CD1 4.13Å; L171-L176 HydrophobicContact CD2-CG 4.36Å; L171-W180 HydrophobicContact CD1-CE3 4.36Å; L171-W180 HydrophobicContact CD1-CH2 4.03Å; L171-W180 HydrophobicContact CD1-CZ3 3.68Å |
| 172 | T | 86.3 | Confident | 83.8 | Confident | 84 Ų | 84 | 67 Ų | 67 | 52% | 0.515 | 33% | 0.333 | S | S | . | . | trans | -79.4 | 145.4 | 179.6 | 65.2 | 0 | 0 | 0 | 0 | 110.7 | S174 A175 L176 | T172-S174 PolarHBondContact O-N 3.24Å; T172-S174 PolarHBondContact OG1-OG 2.89Å; T172-S174 VanDerWaalsContact OG1-OG 3.09Å; T172-A175 WeakPolarHBondContact O-CB 3.44Å; T172-A175 PolarHBondContact O-N 3.44Å; T172-A175 WeakPolarHBondContact OG1-CB 3.23Å; T172-A175 PolarHBondContact OG1-N 2.81Å; T172-L176 PolarHBondContact O-N 3.14Å | ||
| 173 | S | 84.4 | Confident | 83.3 | Confident | 68 Ų | 68 | 69.7 Ų | 69.7 | 48% | 0.476 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -53.1 | -39.5 | 176 | 53.6 | 0 | 0 | 0 | 0 | 112.2 | A175 L176 V177 | S173-A175 VanDerWaalsContact C-N 3.33Å; S173-A175 PolarHBondContact O-N 3.14Å; S173-L176 PolarHBondContact O-N 3.45Å; S173-V177 WeakPolarHBondContact O-CG2 3.32Å; S173-V177 PolarHBondContact O-N 3.34Å |
| 174 | S | 84.4 | Confident | 82.7 | Confident | 83 Ų | 83 | 71.7 Ų | 71.7 | 58% | 0.58 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.7 | -38.6 | 176.5 | 69.6 | 0 | 0 | 0 | 0 | 113.4 | T172 K178 | T172-S174 PolarHBondContact O-N 3.24Å; T172-S174 PolarHBondContact OG1-OG 2.89Å; T172-S174 VanDerWaalsContact OG1-OG 3.09Å; S174-K178 VanDerWaalsContact O-CB 3.31Å; S174-K178 WeakPolarHBondContact O-CB 3.36Å; S174-K178 PolarHBondContact O-N 3.5Å; S174-K178 VanDerWaalsContact O-N 3.09Å |
| 175 | A | 83 | Confident | 81.9 | Confident | 5 Ų | 5 | 77 Ų | 77 | 4% | 0.041 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.7 | -42.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P83 L171 T172 S173 V177 K178 Y179 | P83-A175 HydrophobicContact CB-CB 3.86Å; P83-A175 HydrophobicContact CG-CB 3.85Å; L171-A175 HydrophobicContact CD2-CB 4.22Å; L171-A175 HydrophobicContact CG-CB 4.31Å; T172-A175 WeakPolarHBondContact O-CB 3.44Å; T172-A175 PolarHBondContact O-N 3.44Å; T172-A175 WeakPolarHBondContact OG1-CB 3.23Å; T172-A175 PolarHBondContact OG1-N 2.81Å; S173-A175 VanDerWaalsContact C-N 3.33Å; S173-A175 PolarHBondContact O-N 3.14Å; A175-V177 VanDerWaalsContact C-N 3.3Å; A175-V177 PolarHBondContact O-N 3.14Å; A175-K178 PolarHBondContact O-N 3.18Å; A175-Y179 HydrophobicContact CB-CD2 4.37Å; A175-Y179 VanDerWaalsContact O-CD2 3.32Å; A175-Y179 WeakPolarHBondContact O-CD2 3.31Å; A175-Y179 PolarHBondContact O-N 3.03Å |
| 176 | L | 81.9 | Confident | 80.9 | Confident | 10 Ų | 10 | 81.9 Ų | 81.9 | 5% | 0.052 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -56.7 | -49.9 | 178.5 | -174.1 | 65.5 | 0 | 0 | 0 | 110.2 | A162 I163 Y166 L171 T172 S173 W180 L181 | A162-L176 HydrophobicContact CB-CD1 3.71Å; I163-L176 HydrophobicContact CG1-CD1 4.45Å; Y166-L176 HydrophobicContact CD1-CD2 4.09Å; Y166-L176 HydrophobicContact CD2-CD2 4.32Å; Y166-L176 HydrophobicContact CG-CD2 3.88Å; L171-L176 HydrophobicContact CD2-CB 3.49Å; L171-L176 VanDerWaalsContact CD2-CB 3.49Å; L171-L176 HydrophobicContact CD2-CD1 4.13Å; L171-L176 HydrophobicContact CD2-CG 4.36Å; T172-L176 PolarHBondContact O-N 3.14Å; S173-L176 PolarHBondContact O-N 3.45Å; L176-W180 HydrophobicContact CD1-CB 4.32Å; L176-W180 PolarHBondContact O-N 3.06Å; L176-L181 HydrophobicContact CD2-CD1 4.15Å; L176-L181 HydrophobicContact CG-CD1 3.99Å; L176-L181 HydrophobicContact CG-CG 4.22Å; L176-L181 PolarHBondContact O-N 3.27Å; L176-L181 VanDerWaalsContact O-N 3.14Å |
| 177 | V | 84 | Confident | 80.1 | Confident | 74 Ų | 74 | 81 Ų | 81 | 45% | 0.448 | 41% | 0.407 | S | S | . | . | I | π-helix | trans | -61.4 | -49.4 | 180 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | S173 A175 L181 T182 | S173-V177 WeakPolarHBondContact O-CG2 3.32Å; S173-V177 PolarHBondContact O-N 3.34Å; A175-V177 VanDerWaalsContact C-N 3.3Å; A175-V177 PolarHBondContact O-N 3.14Å; V177-L181 HydrophobicContact CG2-CD1 4.22Å; V177-L181 CarbonylContact O-C 3.59Å; V177-L181 PolarHBondContact O-N 2.82Å; V177-T182 VanDerWaalsContact O-CB 3.23Å; V177-T182 WeakPolarHBondContact O-CB 3.4Å; V177-T182 PolarHBondContact O-N 2.9Å; V177-T182 PolarHBondContact O-OG1 3.46Å |
| 178 | K | 83 | Confident | 79.2 | Confident | 124 Ų | 124 | 79.5 Ų | 79.5 | 54% | 0.539 | 40% | 0.404 | S | S | . | . | I | π-helix | trans | -67.9 | -39.8 | -172.5 | -175 | 178.2 | 178.2 | -171.5 | 0 | 114.2 | S174 A175 | S174-K178 VanDerWaalsContact O-CB 3.31Å; S174-K178 WeakPolarHBondContact O-CB 3.36Å; S174-K178 PolarHBondContact O-N 3.5Å; S174-K178 VanDerWaalsContact O-N 3.09Å; A175-K178 PolarHBondContact O-N 3.18Å |
| 179 | Y | 82.6 | Confident | 78.5 | Confident | 57 Ų | 57 | 80.2 Ų | 80.2 | 22% | 0.224 | 40% | 0.402 | C | S | . | . | I | π-helix | trans | -102.9 | -27.2 | -169.8 | -64.6 | -79.9 | 0 | 0 | 0 | 114 | R81 P83 V154 A175 | R81-Y179 PolarHBondContact O-OH 3.26Å; P83-Y179 VanDerWaalsContact CD-CZ 3.45Å; P83-Y179 WeakPolarHBondContact CD-OH 3.49Å; P83-Y179 HydrophobicContact CG-CD2 3.76Å; P83-Y179 HydrophobicContact CG-CE2 3.45Å; P83-Y179 VanDerWaalsContact CG-CE2 3.45Å; V154-Y179 HydrophobicContact CG1-CD1 3.59Å; V154-Y179 HydrophobicContact CG1-CE1 4.24Å; V154-Y179 HydrophobicContact CG1-CG 3.74Å; A175-Y179 HydrophobicContact CB-CD2 4.37Å; A175-Y179 VanDerWaalsContact O-CD2 3.32Å; A175-Y179 WeakPolarHBondContact O-CD2 3.31Å; A175-Y179 PolarHBondContact O-N 3.03Å |
| 180 | W | 82.5 | Confident | 77.8 | Confident | 28 Ų | 28 | 76 Ų | 76 | 11% | 0.106 | 39% | 0.386 | C | S | . | . | I | π-helix | trans | -116.7 | -31.9 | -176 | -70.5 | -85 | 0 | 0 | 0 | 114.5 | V154 M157 V159 A162 L171 L176 | V154-W180 HydrophobicContact CG1-CH2 3.72Å; V154-W180 HydrophobicContact CG1-CZ2 3.85Å; V154-W180 HydrophobicContact CG1-CZ3 4.46Å; V154-W180 WeakPolarHBondContact O-CZ2 3.4Å; M157-W180 HydrophobicContact CB-CZ2 3.89Å; M157-W180 HydrophobicContact CE-CD2 4.27Å; M157-W180 HydrophobicContact CE-CH2 3.37Å; M157-W180 HydrophobicContact CE-CZ2 3.04Å; M157-W180 HydrophobicContact CE-CZ3 4.13Å; M157-W180 HydrophobicContact CG-CZ2 4.35Å; M157-W180 PolarHBondContact O-NE1 3.04Å; M157-W180 HydrophobicContact SD-CZ2 4.33Å; V159-W180 HydrophobicContact CG2-CB 4.48Å; A162-W180 HydrophobicContact CB-CB 4.19Å; A162-W180 HydrophobicContact CB-CD2 3.47Å; A162-W180 VanDerWaalsContact CB-CD2 3.47Å; A162-W180 HydrophobicContact CB-CE3 4.01Å; A162-W180 HydrophobicContact CB-CG 3.51Å; L171-W180 HydrophobicContact CD1-CE3 4.36Å; L171-W180 HydrophobicContact CD1-CH2 4.03Å; L171-W180 HydrophobicContact CD1-CZ3 3.68Å; L176-W180 HydrophobicContact CD1-CB 4.32Å; L176-W180 PolarHBondContact O-N 3.06Å |
| 181 | L | 81.5 | Confident | 77.1 | Confident | 67 Ų | 67 | 81 Ų | 81 | 35% | 0.351 | 40% | 0.404 | S | S | . | . | I | π-helix | trans | -99.3 | -27.5 | -178.1 | -53.3 | 176.5 | 0 | 0 | 0 | 113.6 | V159 L176 V177 P183 F214 | V159-L181 HydrophobicContact CG1-CD2 4.34Å; L176-L181 HydrophobicContact CD2-CD1 4.15Å; L176-L181 HydrophobicContact CG-CD1 3.99Å; L176-L181 HydrophobicContact CG-CG 4.22Å; L176-L181 PolarHBondContact O-N 3.27Å; L176-L181 VanDerWaalsContact O-N 3.14Å; V177-L181 HydrophobicContact CG2-CD1 4.22Å; V177-L181 CarbonylContact O-C 3.59Å; V177-L181 PolarHBondContact O-N 2.82Å; L181-P183 VanDerWaalsContact O-CD 3.31Å; L181-P183 WeakPolarHBondContact O-CD 3.39Å; L181-F214 HydrophobicContact CD1-CZ 4.22Å; L181-F214 HydrophobicContact CD2-CE2 4.01Å; L181-F214 HydrophobicContact CD2-CZ 4.03Å |
| 182 | T | 80.2 | Confident | 76.8 | Confident | 69 Ų | 69 | 89.3 Ų | 89.3 | 42% | 0.423 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -83.8 | 112.8 | 177.6 | -54.9 | 0 | 0 | 0 | 0 | 108.2 | V177 T184 | V177-T182 VanDerWaalsContact O-CB 3.23Å; V177-T182 WeakPolarHBondContact O-CB 3.4Å; V177-T182 PolarHBondContact O-N 2.9Å; V177-T182 PolarHBondContact O-OG1 3.46Å; T182-T184 PolarHBondContact O-N 3.06Å |
| 183 | P | 73 | Confident | 76 | Confident | 56 Ų | 56 | 88.9 Ų | 88.9 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | trans | -63.3 | 128.1 | 177.8 | 28.5 | -35.1 | 0 | 0 | 0 | 108.9 | L181 L188 | L181-P183 VanDerWaalsContact O-CD 3.31Å; L181-P183 WeakPolarHBondContact O-CD 3.39Å; P183-L188 HydrophobicContact CB-CD2 3.78Å; P183-L188 HydrophobicContact CB-CG 3.9Å; P183-L188 HydrophobicContact CG-CD1 4.28Å; P183-L188 HydrophobicContact CG-CD2 3.69Å; P183-L188 HydrophobicContact CG-CG 4.02Å | ||
| 184 | T | 73 | Confident | 75.1 | Confident | 50 Ų | 50 | 91.3 Ų | 91.3 | 31% | 0.307 | 43% | 0.434 | S | S | . | . | trans | -66.5 | 152.2 | 177.4 | 59 | 0 | 0 | 0 | 0 | 109.8 | T182 L186 E187 L188 | T182-T184 PolarHBondContact O-N 3.06Å; T184-L186 PolarHBondContact O-N 2.99Å; T184-L186 VanDerWaalsContact O-N 3.08Å; T184-E187 PolarHBondContact N-OE2 3.14Å; T184-E187 PolarHBondContact O-N 3.18Å; T184-E187 WeakPolarHBondContact OG1-CB 3.39Å; T184-E187 VanDerWaalsContact OG1-CD 3.3Å; T184-E187 VanDerWaalsContact OG1-CG 3.26Å; T184-E187 WeakPolarHBondContact OG1-CG 3.32Å; T184-E187 PolarHBondContact OG1-N 3.34Å; T184-E187 PolarHBondContact OG1-OE2 3.13Å; T184-L188 PolarHBondContact O-N 2.87Å | ||
| 185 | K | 71.7 | Confident | 74.1 | Confident | 188 Ų | 188 | 94.8 Ų | 94.8 | 82% | 0.817 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -53.7 | -34.1 | 177.5 | -70 | -174.8 | 179.4 | -178.1 | 0 | 112.3 | R189 | K185-R189 WeakPolarHBondContact O-CB 3.3Å; K185-R189 PolarHBondContact O-N 3.47Å |
| 186 | L | 64.1 | Low | 73.1 | Confident | 124 Ų | 124 | 101.6 Ų | 101.6 | 65% | 0.649 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -69.4 | -39 | 176.4 | -66.8 | 177.4 | 0 | 0 | 0 | 112.7 | T184 R190 | T184-L186 PolarHBondContact O-N 2.99Å; T184-L186 VanDerWaalsContact O-N 3.08Å; L186-R190 WeakPolarHBondContact O-CG 3.5Å; L186-R190 PolarHBondContact O-N 3.18Å |
| 187 | E | 67.1 | Low | 71.8 | Confident | 77 Ų | 77 | 110 Ų | 110 | 36% | 0.36 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.7 | -39.5 | 173 | -75.7 | 167.5 | 155.1 | 0 | 0 | 112.3 | T184 R189 R190 K191 | T184-E187 PolarHBondContact N-OE2 3.14Å; T184-E187 PolarHBondContact O-N 3.18Å; T184-E187 WeakPolarHBondContact OG1-CB 3.39Å; T184-E187 VanDerWaalsContact OG1-CD 3.3Å; T184-E187 VanDerWaalsContact OG1-CG 3.26Å; T184-E187 WeakPolarHBondContact OG1-CG 3.32Å; T184-E187 PolarHBondContact OG1-N 3.34Å; T184-E187 PolarHBondContact OG1-OE2 3.13Å; E187-R189 VanDerWaalsContact C-N 3.3Å; E187-R189 PolarHBondContact O-N 3.21Å; E187-R190 PolarHBondContact O-N 2.88Å; E187-K191 WeakPolarHBondContact O-CB 3.36Å; E187-K191 WeakPolarHBondContact O-CG 3.45Å; E187-K191 PolarHBondContact O-N 3.3Å |
| 188 | L | 68.9 | Low | 70.4 | Confident | 74 Ų | 74 | 113 Ų | 113 | 39% | 0.387 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 174 | -72.7 | 176.8 | 0 | 0 | 0 | 111.3 | P183 T184 K191 R192 | P183-L188 HydrophobicContact CB-CD2 3.78Å; P183-L188 HydrophobicContact CB-CG 3.9Å; P183-L188 HydrophobicContact CG-CD1 4.28Å; P183-L188 HydrophobicContact CG-CD2 3.69Å; P183-L188 HydrophobicContact CG-CG 4.02Å; T184-L188 PolarHBondContact O-N 2.87Å; L188-K191 PolarHBondContact O-N 3.48Å; L188-R192 WeakPolarHBondContact O-CG 3.35Å; L188-R192 PolarHBondContact O-N 3.28Å |
| 189 | R | 71.9 | Confident | 69 | Low | 165 Ų | 165 | 112 Ų | 112 | 62% | 0.623 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.2 | -50.5 | 174.6 | -176.6 | 176.8 | 176.5 | 164.3 | 6 | 111.2 | K185 E187 K191 R192 E193 | K185-R189 WeakPolarHBondContact O-CB 3.3Å; K185-R189 PolarHBondContact O-N 3.47Å; E187-R189 VanDerWaalsContact C-N 3.3Å; E187-R189 PolarHBondContact O-N 3.21Å; R189-K191 VanDerWaalsContact C-N 3.32Å; R189-K191 PolarHBondContact O-N 2.97Å; R189-R192 WeakPolarHBondContact O-CB 3.27Å; R189-R192 PolarHBondContact O-N 3.33Å; R189-R192 VanDerWaalsContact O-N 3.15Å; R189-E193 WeakPolarHBondContact CG-OE1 3.04Å; R189-E193 IonicContact CZ-OE1 3.52Å; R189-E193 IonicContact NE-OE1 3.95Å; R189-E193 PolarHBondContact NE-OE1 2.98Å; R189-E193 WeakPolarHBondContact O-CG 3.37Å; R189-E193 PolarHBondContact O-N 3.35Å |
| 190 | R | 68.4 | Low | 67.5 | Low | 144 Ų | 144 | 115.9 Ų | 115.9 | 54% | 0.543 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.7 | -37.9 | 175.3 | -77.7 | -172.6 | -72 | 157.1 | -2.7 | 113.2 | L186 E187 E193 L194 | L186-R190 WeakPolarHBondContact O-CG 3.5Å; L186-R190 PolarHBondContact O-N 3.18Å; E187-R190 PolarHBondContact O-N 2.88Å; R190-E193 PolarHBondContact O-N 3.33Å; R190-L194 WeakPolarHBondContact O-CB 3.48Å; R190-L194 VanDerWaalsContact O-CG 3.27Å; R190-L194 WeakPolarHBondContact O-CG 3.38Å; R190-L194 PolarHBondContact O-N 3.16Å |
| 191 | K | 67.2 | Low | 65.8 | Low | 138 Ų | 138 | 124 Ų | 124 | 60% | 0.6 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.3 | -37.6 | 175.6 | -79.3 | -173.2 | 177.1 | -174.5 | 0 | 112.4 | E187 L188 R189 K195 | E187-K191 WeakPolarHBondContact O-CB 3.36Å; E187-K191 WeakPolarHBondContact O-CG 3.45Å; E187-K191 PolarHBondContact O-N 3.3Å; L188-K191 PolarHBondContact O-N 3.48Å; R189-K191 VanDerWaalsContact C-N 3.32Å; R189-K191 PolarHBondContact O-N 2.97Å; K191-K195 VanDerWaalsContact O-CB 3.3Å; K191-K195 WeakPolarHBondContact O-CB 3.43Å; K191-K195 PolarHBondContact O-N 3.47Å |
| 192 | R | 73.1 | Confident | 64 | Low | 191 Ų | 191 | 131.6 Ų | 131.6 | 72% | 0.721 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.7 | -46.6 | 172.8 | -74 | 179 | -174.6 | -177.9 | 0.2 | 110.7 | L188 R189 L194 K195 E196 | L188-R192 WeakPolarHBondContact O-CG 3.35Å; L188-R192 PolarHBondContact O-N 3.28Å; R189-R192 WeakPolarHBondContact O-CB 3.27Å; R189-R192 PolarHBondContact O-N 3.33Å; R189-R192 VanDerWaalsContact O-N 3.15Å; R192-L194 PolarHBondContact O-N 3.2Å; R192-K195 PolarHBondContact O-N 2.84Å; R192-E196 WeakPolarHBondContact O-CB 3.29Å; R192-E196 PolarHBondContact O-N 2.91Å |
| 193 | E | 70.4 | Confident | 62.4 | Low | 74 Ų | 74 | 133.2 Ų | 133.2 | 35% | 0.346 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -59.2 | -47 | 175.4 | -69.3 | 166.7 | -174.8 | 0 | 0 | 110.5 | R189 R190 K195 E196 W197 | R189-E193 WeakPolarHBondContact CG-OE1 3.04Å; R189-E193 IonicContact CZ-OE1 3.52Å; R189-E193 IonicContact NE-OE1 3.95Å; R189-E193 PolarHBondContact NE-OE1 2.98Å; R189-E193 WeakPolarHBondContact O-CG 3.37Å; R189-E193 PolarHBondContact O-N 3.35Å; R190-E193 PolarHBondContact O-N 3.33Å; E193-K195 PolarHBondContact O-N 3.47Å; E193-E196 WeakPolarHBondContact O-CB 3.31Å; E193-E196 PolarHBondContact O-N 3.01Å; E193-E196 VanDerWaalsContact O-N 3.14Å; E193-W197 PolarHBondContact O-N 3.33Å; E193-W197 VanDerWaalsContact O-N 3.14Å |
| 194 | L | 65.3 | Low | 61.1 | Low | 119 Ų | 119 | 138.4 Ų | 138.4 | 62% | 0.623 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61.4 | -41.1 | 175.2 | -75.3 | 168.6 | 0 | 0 | 0 | 113.3 | R190 R192 E196 W197 E198 | R190-L194 WeakPolarHBondContact O-CB 3.48Å; R190-L194 VanDerWaalsContact O-CG 3.27Å; R190-L194 WeakPolarHBondContact O-CG 3.38Å; R190-L194 PolarHBondContact O-N 3.16Å; R192-L194 PolarHBondContact O-N 3.2Å; L194-E196 VanDerWaalsContact C-N 3.26Å; L194-E196 PolarHBondContact O-N 3.03Å; L194-W197 PolarHBondContact O-N 2.97Å; L194-W197 VanDerWaalsContact O-N 3.14Å; L194-E198 PolarHBondContact O-N 2.99Å |
| 195 | K | 64.5 | Low | 59.7 | Low | 156 Ų | 156 | 146 Ų | 146 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.2 | -29.4 | 175.5 | -172.3 | 178.5 | 179 | -177.4 | 0 | 112 | K191 R192 E193 W197 E198 P199 | K191-K195 VanDerWaalsContact O-CB 3.3Å; K191-K195 WeakPolarHBondContact O-CB 3.43Å; K191-K195 PolarHBondContact O-N 3.47Å; R192-K195 PolarHBondContact O-N 2.84Å; E193-K195 PolarHBondContact O-N 3.47Å; K195-W197 VanDerWaalsContact C-N 3.27Å; K195-E198 PolarHBondContact O-N 3.39Å; K195-P199 WeakPolarHBondContact O-CD 3.44Å |
| 196 | E | 60.7 | Low | 58.2 | Low | 148 Ų | 148 | 146.7 Ų | 146.7 | 69% | 0.692 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -70 | -26.1 | 173.2 | -166.5 | 169.3 | -166.5 | 0 | 0 | 111.9 | R192 E193 L194 P199 | R192-E196 WeakPolarHBondContact O-CB 3.29Å; R192-E196 PolarHBondContact O-N 2.91Å; E193-E196 WeakPolarHBondContact O-CB 3.31Å; E193-E196 PolarHBondContact O-N 3.01Å; E193-E196 VanDerWaalsContact O-N 3.14Å; L194-E196 VanDerWaalsContact C-N 3.26Å; L194-E196 PolarHBondContact O-N 3.03Å; E196-P199 WeakPolarHBondContact O-CD 3.48Å |
| 197 | W | 54.2 | Low | 57.4 | Low | 186 Ų | 186 | 145 Ų | 145 | 71% | 0.705 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -84.9 | -18.9 | 170.6 | -61.3 | 113 | 0 | 0 | 0 | 114.3 | E193 L194 K195 | E193-W197 PolarHBondContact O-N 3.33Å; E193-W197 VanDerWaalsContact O-N 3.14Å; L194-W197 PolarHBondContact O-N 2.97Å; L194-W197 VanDerWaalsContact O-N 3.14Å; K195-W197 VanDerWaalsContact C-N 3.27Å |
| 198 | E | 55.5 | Low | 56.4 | Low | 137 Ų | 137 | 147.3 Ų | 147.3 | 64% | 0.64 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -62.6 | -23 | 177.7 | -98.7 | -152.8 | 163 | 0 | 0 | 117.1 | L194 K195 L200 Y201 | L194-E198 PolarHBondContact O-N 2.99Å; K195-E198 PolarHBondContact O-N 3.39Å; E198-L200 PolarHBondContact O-N 3.13Å; E198-Y201 PolarHBondContact O-N 3Å |
| 199 | P | 53.3 | Low | 55.6 | Low | 104 Ų | 104 | 154.7 Ų | 154.7 | 68% | 0.675 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -62.5 | -12.7 | 179.5 | -19 | 31.2 | 0 | 0 | 0 | 113.9 | K195 E196 | K195-P199 WeakPolarHBondContact O-CD 3.44Å; E196-P199 WeakPolarHBondContact O-CD 3.48Å |
| 200 | L | 51.5 | Low | 54.6 | Low | 139 Ų | 139 | 151.1 Ų | 151.1 | 73% | 0.728 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -93.8 | -10.4 | -179.4 | -64.1 | -178.6 | 0 | 0 | 0 | 114.8 | E198 | E198-L200 PolarHBondContact O-N 3.13Š|
| 201 | Y | 45.6 | Very low | 53.7 | Low | 197 Ų | 197 | 151.3 Ų | 151.3 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | trans | -136.5 | 87.5 | 174.5 | -88.2 | -92.2 | 0 | 0 | 0 | 109.5 | E198 P203 | E198-Y201 PolarHBondContact O-N 3Å; Y201-P203 VanDerWaalsContact O-CD 3.26Å; Y201-P203 WeakPolarHBondContact O-CD 3.26Å | ||
| 202 | R | 45.5 | Very low | 52.9 | Low | 227 Ų | 227 | 153.7 Ų | 153.7 | 86% | 0.857 | 72% | 0.719 | S | S | * | * | trans | -93.2 | 96.9 | 161.6 | -169.3 | -176.6 | -145.9 | -156.4 | 4.5 | 107.5 | M204 | R202-M204 PolarHBondContact O-N 3.22Š| ||
| 203 | P | 45.2 | Very low | 52.1 | Low | 104 Ų | 104 | 148.8 Ų | 148.8 | 68% | 0.675 | 71% | 0.707 | S | S | * | * | trans | -70.7 | 118 | 167 | -5.3 | 22.9 | 0 | 0 | 0 | 107 | Y201 Y205 | Y201-P203 VanDerWaalsContact O-CD 3.26Å; Y201-P203 WeakPolarHBondContact O-CD 3.26Å; P203-Y205 PolarHBondContact O-N 3.02Å | ||
| 204 | M | 45.7 | Very low | 51.7 | Low | 164 Ų | 164 | 149.6 Ų | 149.6 | 81% | 0.808 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -66.5 | 31.5 | 176.4 | -90.3 | -169.7 | 75.7 | 0 | 0 | 114.3 | R202 | R202-M204 PolarHBondContact O-N 3.22Š|
| 205 | Y | 45.2 | Very low | 51.5 | Low | 210 Ų | 210 | 147.4 Ų | 147.4 | 82% | 0.824 | 70% | 0.704 | S | S | * | * | trans | -130.2 | 89.1 | 178.3 | -61.9 | -75.3 | 0 | 0 | 0 | 109.8 | P203 S207 | P203-Y205 PolarHBondContact O-N 3.02Å; Y205-S207 VanDerWaalsContact C-N 3.3Å; Y205-S207 PolarHBondContact O-N 3.41Å | ||
| 206 | E | 39.3 | Very low | 51.4 | Low | 203 Ų | 203 | 143.3 Ų | 143.3 | 95% | 0.949 | 70% | 0.695 | S | S | * | * | trans | -61.4 | 93.8 | 158.6 | -79.8 | -178.4 | 154.1 | 0 | 0 | 108.3 | ||||
| 207 | S | 47.7 | Very low | 51.4 | Low | 88 Ų | 88 | 141.6 Ų | 141.6 | 62% | 0.615 | 68% | 0.682 | S | S | * | * | trans | -86.1 | 129.2 | 156.1 | 172.3 | 0 | 0 | 0 | 0 | 107.2 | Y205 R209 | Y205-S207 VanDerWaalsContact C-N 3.3Å; Y205-S207 PolarHBondContact O-N 3.41Å; S207-R209 PolarHBondContact O-N 3.1Å | ||
| 208 | P | 46 | Very low | 52 | Low | 125 Ų | 125 | 136.6 Ų | 136.6 | 81% | 0.812 | 67% | 0.669 | S | S | * | * | trans | -70.1 | 86.1 | -179.9 | 29.8 | -32.7 | 0 | 0 | 0 | 108.1 | S210 | P208-S210 PolarHBondContact O-N 3.17Š| ||
| 209 | R | 50.8 | Low | 52.3 | Low | 229 Ų | 229 | 135.6 Ų | 135.6 | 86% | 0.864 | 67% | 0.672 | S | S | * | * | trans | -70.1 | 91.7 | 167.1 | -75.9 | -172.6 | 176.6 | 178.9 | 0.6 | 106.3 | S207 L211 | S207-R209 PolarHBondContact O-N 3.1Å; R209-L211 PolarHBondContact O-N 3.36Å | ||
| 210 | S | 50.6 | Low | 52.1 | Low | 91 Ų | 91 | 141.2 Ų | 141.2 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | trans | -4.7 | 98.9 | 154.6 | 174.4 | 0 | 0 | 0 | 0 | 109.9 | P208 R212 | P208-S210 PolarHBondContact O-N 3.17Å; S210-R212 PolarHBondContact O-N 2.83Å | ||
| 211 | L | 50.1 | Low | 52.1 | Low | 147 Ų | 147 | 141.3 Ų | 141.3 | 77% | 0.77 | 69% | 0.693 | S | S | * | * | trans | -56.5 | 80.9 | 158.6 | -80.3 | 155.7 | 0 | 0 | 0 | 105.6 | R209 D213 | R209-L211 PolarHBondContact O-N 3.36Å; L211-D213 PolarHBondContact O-N 2.9Å | ||
| 212 | R | 51.4 | Low | 52.5 | Low | 188 Ų | 188 | 138.4 Ų | 138.4 | 71% | 0.709 | 69% | 0.689 | S | S | * | * | trans | -67.8 | 73.9 | 155.2 | -77.7 | -169.9 | 174.4 | -166.7 | -1.5 | 104.8 | S210 F214 | S210-R212 PolarHBondContact O-N 2.83Å; R212-F214 PolarHBondContact O-N 3.2Å | ||
| 213 | D | 55.8 | Low | 52.9 | Low | 88 Ų | 88 | 133.4 Ų | 133.4 | 47% | 0.471 | 68% | 0.68 | S | S | . | * | trans | -50.5 | 134.4 | 175.1 | -79.5 | -31.1 | 0 | 0 | 0 | 107.4 | L211 S215 S216 | L211-D213 PolarHBondContact O-N 2.9Å; D213-S215 PolarHBondContact O-N 3.44Å; D213-S216 WeakPolarHBondContact O-CB 3.45Å; D213-S216 PolarHBondContact O-N 2.96Å; D213-S216 PolarHBondContact O-OG 2.75Å | ||
| 214 | F | 61.1 | Low | 53.3 | Low | 92 Ų | 92 | 135.2 Ų | 135.2 | 40% | 0.404 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -51.7 | -29.5 | 178.3 | -179.7 | -97.1 | 0 | 0 | 0 | 111.8 | I163 L181 R212 S216 R217 L218 | I163-F214 HydrophobicContact CD1-CE2 3.98Å; L181-F214 HydrophobicContact CD1-CZ 4.22Å; L181-F214 HydrophobicContact CD2-CE2 4.01Å; L181-F214 HydrophobicContact CD2-CZ 4.03Å; R212-F214 PolarHBondContact O-N 3.2Å; F214-S216 VanDerWaalsContact C-N 3.33Å; F214-S216 PolarHBondContact O-N 3.38Å; F214-R217 WeakPolarHBondContact O-CB 3.48Å; F214-R217 PolarHBondContact O-N 3.12Å; F214-R217 VanDerWaalsContact O-N 3.1Å; F214-L218 HydrophobicContact CD1-CD1 4.12Å; F214-L218 HydrophobicContact CE1-CD1 3.58Å; F214-L218 HydrophobicContact CE1-CG 4.09Å; F214-L218 HydrophobicContact CZ-CD1 4.3Å; F214-L218 HydrophobicContact CZ-CG 4.47Å |
| 215 | S | 61.4 | Low | 53.8 | Low | 73 Ų | 73 | 133.4 Ų | 133.4 | 51% | 0.51 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -55.3 | -45.3 | 173.8 | 64.5 | 0 | 0 | 0 | 0 | 112.3 | D213 R217 L218 V219 | D213-S215 PolarHBondContact O-N 3.44Å; S215-R217 PolarHBondContact O-N 2.8Å; S215-L218 PolarHBondContact O-N 2.65Å; S215-L218 VanDerWaalsContact O-N 3.12Å; S215-V219 PolarHBondContact O-N 2.69Å |
| 216 | S | 63.6 | Low | 54.4 | Low | 69 Ų | 69 | 128.3 Ų | 128.3 | 48% | 0.483 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -64.5 | -20.8 | 179 | 69 | 0 | 0 | 0 | 0 | 113.6 | D213 F214 | D213-S216 WeakPolarHBondContact O-CB 3.45Å; D213-S216 PolarHBondContact O-N 2.96Å; D213-S216 PolarHBondContact O-OG 2.75Å; F214-S216 VanDerWaalsContact C-N 3.33Å; F214-S216 PolarHBondContact O-N 3.38Å |
| 217 | R | 60.8 | Low | 55.4 | Low | 112 Ų | 112 | 122.9 Ų | 122.9 | 42% | 0.423 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -81.8 | -18.5 | 177.2 | -57.9 | -172.5 | -175.3 | -156.1 | 2 | 113.5 | D160 K167 F214 S215 | D160-R217 IonicContact OD1-NH1 3Å; D160-R217 PolarHBondContact OD1-NH1 3.03Å; K167-R217 PolarHBondContact NZ-O 2.83Å; F214-R217 WeakPolarHBondContact O-CB 3.48Å; F214-R217 PolarHBondContact O-N 3.12Å; F214-R217 VanDerWaalsContact O-N 3.1Å; S215-R217 PolarHBondContact O-N 2.8Å |
| 218 | L | 65.8 | Low | 56 | Low | 82 Ų | 82 | 125.6 Ų | 125.6 | 43% | 0.429 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -95.5 | -18.6 | 179.8 | -67.9 | -177.8 | 0 | 0 | 0 | 113.2 | F214 S215 L220 | F214-L218 HydrophobicContact CD1-CD1 4.12Å; F214-L218 HydrophobicContact CE1-CD1 3.58Å; F214-L218 HydrophobicContact CE1-CG 4.09Å; F214-L218 HydrophobicContact CZ-CD1 4.3Å; F214-L218 HydrophobicContact CZ-CG 4.47Å; S215-L218 PolarHBondContact O-N 2.65Å; S215-L218 VanDerWaalsContact O-N 3.12Å; L218-L220 PolarHBondContact O-N 2.96Å |
| 219 | V | 61.8 | Low | 56.9 | Low | 115 Ų | 115 | 125.7 Ų | 125.7 | 70% | 0.697 | 63% | 0.63 | S | S | * | * | trans | -77.6 | 119.3 | 173.8 | -176 | 0 | 0 | 0 | 0 | 108 | S215 | S215-V219 PolarHBondContact O-N 2.69Š| ||
| 220 | L | 49.3 | Very low | 57.4 | Low | 222 Ų | 222 | 116.3 Ų | 116.3 | 100% | 1.162 | 61% | 0.609 | S | S | * | * | trans | -70.5 | 0 | 173.4 | -75.9 | 165.7 | 0 | 0 | 0 | 111.1 | L218 | L218-L220 PolarHBondContact O-N 2.96Š|
Retrieved 220 of 220 residues in 41.5 ms
(Link to these results)