| 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 | 41.1 | Very low | 43.9 | Very low | 241 Ų | 241 | 155.5 Ų | 155.5 | 100% | 1.187 | 86% | 0.857 | S | S | * | * | 0 | 138.9 | 0 | -69.6 | 159 | 70.6 | 0 | 0 | 107.3 | |||||
| 2 | N | 41.4 | Very low | 43.5 | Very low | 174 Ų | 174 | 156.7 Ų | 156.7 | 93% | 0.93 | 85% | 0.851 | S | S | * | * | trans | -103.3 | 133.1 | -173.8 | -65.8 | -22 | 0 | 0 | 0 | 111.1 | ||||
| 3 | A | 45.7 | Very low | 43.5 | Very low | 106 Ų | 106 | 154.5 Ų | 154.5 | 88% | 0.876 | 86% | 0.855 | S | S | * | * | trans | -149.6 | 125.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 4 | G | 44.4 | Very low | 43.5 | Very low | 68 Ų | 68 | 156.4 Ų | 156.4 | 70% | 0.701 | 85% | 0.85 | S | S | * | * | trans | -97.7 | 174.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 5 | P | 50.6 | Low | 43 | Very low | 126 Ų | 126 | 156.4 Ų | 156.4 | 82% | 0.818 | 85% | 0.849 | S | S | * | * | trans | -71.5 | 136.4 | 177.1 | 30.4 | -34.5 | 0 | 0 | 0 | 111.5 | ||||
| 6 | S | 55.5 | Low | 43 | Very low | 116 Ų | 116 | 154.3 Ų | 154.3 | 81% | 0.811 | 85% | 0.85 | S | S | * | * | trans | -90.7 | 139.4 | 176.4 | 53.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 7 | W | 41.2 | Very low | 42.6 | Very low | 230 Ų | 230 | 152.1 Ų | 152.1 | 87% | 0.871 | 85% | 0.848 | S | S | * | * | trans | -114.5 | 128.5 | 172.2 | -79.5 | 14.5 | 0 | 0 | 0 | 110.2 | ||||
| 8 | N | 49.3 | Very low | 42.3 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 88% | 0.877 | 85% | 0.85 | S | S | * | * | trans | -148.7 | 111.6 | 157.3 | -79.5 | -49.8 | 0 | 0 | 0 | 105.1 | ||||
| 9 | K | 40.7 | Very low | 42.1 | Very low | 185 Ų | 185 | 150.7 Ų | 150.7 | 80% | 0.804 | 85% | 0.849 | S | S | * | * | cis | 76.1 | 113.4 | 42.4 | -112.9 | -161.1 | -176.5 | -172.6 | 0 | 115.4 | ||||
| 10 | V | 36.5 | Very low | 42.1 | Very low | 104 Ų | 104 | 155.6 Ų | 155.6 | 63% | 0.63 | 85% | 0.853 | S | S | * | * | trans | 72.7 | 112.5 | 154.3 | -174.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 11 | Q | 36.7 | Very low | 41.9 | Very low | 197 Ų | 197 | 156.7 Ų | 156.7 | 92% | 0.921 | 85% | 0.852 | S | S | * | * | -132.5 | 127.1 | 120.8 | -100.6 | -174.1 | -8.1 | 0 | 0 | 109.5 | |||||
| 12 | H | 38.7 | Very low | 41.7 | Very low | 169 Ų | 169 | 151 Ų | 151 | 78% | 0.782 | 84% | 0.837 | S | S | * | * | trans | -107.5 | 116.1 | 168.1 | -71.8 | -76.8 | 0 | 0 | 0 | 108.2 | ||||
| 13 | S | 44.4 | Very low | 41.4 | Very low | 129 Ų | 129 | 152 Ų | 152 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | trans | -76.5 | 145.3 | 162.5 | 51.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 14 | K | 43 | Very low | 41.1 | Very low | 181 Ų | 181 | 152.5 Ų | 152.5 | 79% | 0.787 | 83% | 0.829 | S | S | * | * | trans | -153.3 | 157.5 | -176.2 | -156.3 | 178.5 | -176.7 | 179.2 | 0 | 109.4 | ||||
| 15 | N | 36.4 | Very low | 40.6 | Very low | 156 Ų | 156 | 157.7 Ų | 157.7 | 83% | 0.834 | 84% | 0.836 | S | S | * | * | trans | 75.9 | 151.9 | -176.1 | -40.3 | -31.9 | 0 | 0 | 0 | 111.7 | ||||
| 16 | S | 42.8 | Very low | 40 | Very low | 123 Ų | 123 | 156.9 Ų | 156.9 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | cis | -117.8 | 175.4 | 16 | 62.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 17 | S | 36.5 | Very low | 39.5 | Very low | 117 Ų | 117 | 157.1 Ų | 157.1 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -108.9 | 123.6 | -177.6 | 45.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 18 | G | 37.3 | Very low | 39.1 | Very low | 86 Ų | 86 | 154.9 Ų | 154.9 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | trans | -109.5 | 95.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 19 | K | 38.2 | Very low | 38.2 | Very low | 192 Ų | 192 | 152.1 Ų | 152.1 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | -101.1 | 102.9 | -174.5 | -175.1 | -175.7 | -179 | -176.5 | 0 | 111.7 | ||||
| 20 | R | 41.3 | Very low | 37.8 | Very low | 248 Ų | 248 | 148.6 Ų | 148.6 | 94% | 0.936 | 82% | 0.824 | S | S | * | * | trans | -132.8 | 138 | 161 | -83.2 | -166.8 | 165.5 | -164.3 | -5.1 | 111.5 | ||||
| 21 | Q | 38.9 | Very low | 37.7 | Very low | 178 Ų | 178 | 149.1 Ų | 149.1 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | trans | -107.4 | 144.2 | 171.4 | -66.7 | 177.5 | -35.5 | 0 | 0 | 108.5 | ||||
| 22 | S | 35.8 | Very low | 37.6 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | trans | -138.7 | 128.7 | 159.5 | 44.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 23 | K | 36 | Very low | 37.1 | Very low | 196 Ų | 196 | 147.7 Ų | 147.7 | 85% | 0.852 | 83% | 0.83 | S | S | * | * | trans | -106.4 | 131.8 | 172.9 | -73.2 | 179.1 | 176.2 | 178.2 | 0 | 108.8 | ||||
| 24 | S | 38.2 | Very low | 36.4 | Very low | 115 Ų | 115 | 152.3 Ų | 152.3 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -145 | 100.4 | 154.5 | 40.2 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 25 | Q | 34.7 | Very low | 35.8 | Very low | 178 Ų | 178 | 149.3 Ų | 149.3 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | 67.5 | 90.6 | 59.7 | -160.2 | 164.8 | 5.5 | 0 | 0 | 112 | |||||
| 26 | V | 38.2 | Very low | 35.6 | Very low | 108 Ų | 108 | 147.4 Ų | 147.4 | 66% | 0.655 | 83% | 0.828 | S | S | * | * | trans | -78.5 | 146.4 | 172.1 | 169.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 27 | P | 45.3 | Very low | 35.3 | Very low | 121 Ų | 121 | 149.8 Ų | 149.8 | 79% | 0.786 | 83% | 0.831 | S | S | * | * | trans | -107.1 | 121.7 | 147.6 | 6.1 | 14.2 | 0 | 0 | 0 | 110.1 | ||||
| 28 | H | 31.4 | Very low | 35 | Very low | 184 Ų | 184 | 150.4 Ų | 150.4 | 85% | 0.852 | 83% | 0.83 | S | S | * | * | trans | -76.9 | 130.7 | 164.3 | -77.9 | -95.8 | 0 | 0 | 0 | 109 | ||||
| 29 | A | 32.2 | Very low | 34.6 | Very low | 105 Ų | 105 | 150.7 Ų | 150.7 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | -114.1 | 101.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 30 | S | 31.9 | Very low | 34.2 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | -93 | 135.3 | 169.5 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 31 | S | 34.8 | Very low | 33.8 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -139.9 | 99.3 | 163 | 53.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 32 | Q | 32.8 | Very low | 33.6 | Very low | 181 Ų | 181 | 142.6 Ų | 142.6 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -76.5 | 132.2 | 162.9 | -61.7 | 172.6 | -49.7 | 0 | 0 | 108 | ||||
| 33 | L | 30.1 | Very low | 33.8 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | trans | -150.3 | 105.5 | 161.4 | -115.4 | 159.6 | 0 | 0 | 0 | 112.7 | ||||
| 34 | R | 29.2 | Very low | 33.4 | Very low | 226 Ų | 226 | 139 Ų | 139 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | 27.6 | 125.7 | 153.8 | -68.1 | -173.9 | 172.2 | -145.4 | -2.5 | 120.4 | ||||
| 35 | S | 29.3 | Very low | 33.1 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -54 | 148.5 | 144.6 | 47.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 36 | S | 33.8 | Very low | 32.9 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -142 | 128.4 | 160.4 | 54 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 37 | L | 35 | Very low | 32.9 | Very low | 174 Ų | 174 | 144.1 Ų | 144.1 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -102.3 | 123.9 | -177.1 | -71.2 | 166.1 | 0 | 0 | 0 | 111.3 | ||||
| 38 | T | 31.6 | Very low | 32.4 | Very low | 130 Ų | 130 | 145.5 Ų | 145.5 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | trans | -151.7 | 115.2 | 161 | 41.3 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 39 | A | 27.6 | Very low | 32.5 | Very low | 91 Ų | 91 | 146.2 Ų | 146.2 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | 72.1 | 144.9 | 50.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 40 | V | 30.5 | Very low | 32.4 | Very low | 138 Ų | 138 | 149.3 Ų | 149.3 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | 76 | 124.4 | -172.8 | 179.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 41 | T | 33.1 | Very low | 32.2 | Very low | 127 Ų | 127 | 149 Ų | 149 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | cis | -155.6 | 160.8 | -4.6 | 10.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 42 | Q | 34.1 | Very low | 32.1 | Very low | 183 Ų | 183 | 150.7 Ų | 150.7 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -93.5 | 153.3 | 153.4 | -77.1 | -171 | -16.8 | 0 | 0 | 110.6 | ||||
| 43 | P | 39.5 | Very low | 32.2 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | -141.3 | 176.2 | 107.2 | 33 | -17 | 0 | 0 | 0 | 112.3 | |||||
| 44 | T | 28.9 | Very low | 33.3 | Very low | 129 Ų | 129 | 144.6 Ų | 144.6 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | cis | -158.7 | 164.7 | -28.6 | -85.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 45 | E | 32.1 | Very low | 33.3 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -55.2 | 146.4 | -178.9 | -50.5 | -179.5 | 112.1 | 0 | 0 | 115.6 | ||||
| 46 | E | 30.3 | Very low | 33.4 | Very low | 173 Ų | 173 | 139 Ų | 139 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -139.9 | 139.2 | 133.8 | -170.6 | 171.3 | -178.8 | 0 | 0 | 110.1 | ||||
| 47 | K | 37.3 | Very low | 33.6 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -111.9 | 131.2 | 169.2 | -72.7 | 170.5 | -177.6 | 149.3 | 0 | 108.8 | ||||
| 48 | L | 34.9 | Very low | 33.4 | Very low | 151 Ų | 151 | 145 Ų | 145 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -129.9 | 114.2 | 148.4 | -99.4 | 167.2 | 0 | 0 | 0 | 110.4 | ||||
| 49 | K | 33.9 | Very low | 33.5 | Very low | 198 Ų | 198 | 148.3 Ų | 148.3 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | -94.2 | 132.6 | 155.8 | -75.2 | -176.6 | 173.8 | -173.9 | 0 | 106.5 | ||||
| 50 | E | 29 | Very low | 33.8 | Very low | 171 Ų | 171 | 154.7 Ų | 154.7 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | -137.1 | 140.7 | 153.1 | -169.2 | 156.8 | -155.4 | 0 | 0 | 110.2 | I52 | E50-I52 HydrophobicContact CG-CD1 4.35Š| ||
| 51 | S | 28.2 | Very low | 34 | Very low | 103 Ų | 103 | 154.5 Ų | 154.5 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | -156.9 | 106.2 | -173.5 | 58.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 52 | I | 32.5 | Very low | 34.9 | Very low | 152 Ų | 152 | 153 Ų | 153 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -137.5 | 134 | 169.1 | -80.7 | 101.7 | 0 | 0 | 0 | 111.4 | E50 | E50-I52 HydrophobicContact CG-CD1 4.35Š| ||
| 53 | A | 34.8 | Very low | 35.1 | Very low | 87 Ų | 87 | 152.3 Ų | 152.3 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | trans | -147.4 | -177.2 | 159.4 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 54 | P | 53.5 | Low | 35 | Very low | 121 Ų | 121 | 150.4 Ų | 150.4 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | cis | -119.2 | -143 | -1.3 | 32.2 | -6.9 | 0 | 0 | 0 | 109.5 | ||||
| 55 | E | 30.2 | Very low | 35.6 | Very low | 122 Ų | 122 | 150 Ų | 150 | 57% | 0.57 | 78% | 0.776 | S | S | * | * | cis | -156.4 | 141.5 | 2 | -157.1 | -158.7 | 160.3 | 0 | 0 | 110.6 | R57 | E55-R57 HydrophobicContact CG-CG 4.39Å; E55-R57 WeakPolarHBondContact OE1-CG 2.92Å; E55-R57 IonicContact OE1-CZ 2.72Å; E55-R57 IonicContact OE1-NE 3.74Å; E55-R57 PolarHBondContact OE1-NE 3.47Å; E55-R57 IonicContact OE1-NH2 3Å; E55-R57 IonicContact OE2-CZ 3.53Å; E55-R57 VanDerWaalsContact OE2-CZ 3.28Å; E55-R57 IonicContact OE2-NE 2.7Å; E55-R57 PolarHBondContact OE2-NE 3.02Å; E55-R57 IonicContact OE2-NH2 3.32Å; E55-R57 PolarHBondContact OE2-NH2 3.24Å | ||
| 56 | A | 29.8 | Very low | 36.2 | Very low | 105 Ų | 105 | 152.9 Ų | 152.9 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | trans | -146.3 | 64.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 57 | R | 38.3 | Very low | 36.6 | Very low | 181 Ų | 181 | 150.4 Ų | 150.4 | 68% | 0.683 | 78% | 0.781 | S | S | * | * | trans | -19.5 | 139.9 | 170.6 | -61.3 | 173.2 | -175.1 | 173.4 | 9.5 | 118.9 | E55 | E55-R57 HydrophobicContact CG-CG 4.39Å; E55-R57 WeakPolarHBondContact OE1-CG 2.92Å; E55-R57 IonicContact OE1-CZ 2.72Å; E55-R57 IonicContact OE1-NE 3.74Å; E55-R57 PolarHBondContact OE1-NE 3.47Å; E55-R57 IonicContact OE1-NH2 3Å; E55-R57 IonicContact OE2-CZ 3.53Å; E55-R57 VanDerWaalsContact OE2-CZ 3.28Å; E55-R57 IonicContact OE2-NE 2.7Å; E55-R57 PolarHBondContact OE2-NE 3.02Å; E55-R57 IonicContact OE2-NH2 3.32Å; E55-R57 PolarHBondContact OE2-NH2 3.24Å | ||
| 58 | R | 31.4 | Very low | 37.1 | Very low | 235 Ų | 235 | 150.9 Ų | 150.9 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | 174.3 | 148.7 | 106 | -85.3 | 152.7 | -168.1 | -161.8 | 5.8 | 108.9 | |||||
| 59 | K | 33.1 | Very low | 37.2 | Very low | 198 Ų | 198 | 147.3 Ų | 147.3 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | cis | -156.8 | 153.2 | 1.9 | -138 | -179.3 | -177.7 | -174.5 | 0 | 111.2 | ||||
| 60 | R | 34.4 | Very low | 38 | Very low | 225 Ų | 225 | 143.3 Ų | 143.3 | 85% | 0.849 | 79% | 0.79 | S | S | * | * | trans | -60.8 | 159 | 165.4 | -93.8 | 175.1 | 156.6 | 175.9 | -6.4 | 111.8 | ||||
| 61 | N | 33.8 | Very low | 39 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | -174.3 | -158.3 | -12.6 | -115.3 | 37.7 | 0 | 0 | 0 | 106.6 | ||||
| 62 | P | 53 | Low | 40 | Very low | 95 Ų | 95 | 139 Ų | 139 | 62% | 0.617 | 79% | 0.793 | S | S | * | * | -125.8 | -160.7 | -58.2 | 39.3 | -21.5 | 0 | 0 | 0 | 112.7 | |||||
| 63 | L | 38.3 | Very low | 41.2 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | 71.2 | 148.5 | 172.4 | -57.5 | 140.5 | 0 | 0 | 0 | 115.6 | ||||
| 64 | G | 37.6 | Very low | 42.3 | Very low | 73 Ų | 73 | 141.6 Ų | 141.6 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | cis | 131.6 | 80.6 | -10.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 65 | S | 41.4 | Very low | 42.6 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -147.1 | 145.6 | 161.6 | 68.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 66 | R | 44 | Very low | 43.7 | Very low | 226 Ų | 226 | 147 Ų | 147 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -119.6 | 103.2 | 179.7 | 172.2 | -166.3 | -175.9 | -101.1 | 8.1 | 107.7 | ||||
| 67 | C | 38.4 | Very low | 44.9 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -130.9 | 142 | 171.9 | -77.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 68 | Q | 47.9 | Very low | 45.8 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -79.1 | 150.4 | 172.7 | -69 | 141.1 | -105.5 | 0 | 0 | 110.4 | ||||
| 69 | G | 36.9 | Very low | 47.1 | Very low | 77 Ų | 77 | 142.6 Ų | 142.6 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | 180 | 100.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 70 | A | 50.8 | Low | 48.3 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 94% | 0.942 | 78% | 0.783 | S | S | * | * | trans | -82 | 126 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 71 | S | 49.7 | Very low | 49.3 | Very low | 91 Ų | 91 | 135.1 Ų | 135.1 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | trans | -149.2 | 82.9 | 169.8 | -163.9 | 0 | 0 | 0 | 0 | 110 | N73 | S71-N73 VanDerWaalsContact C-N 3.3Å; S71-N73 PolarHBondContact O-N 3.33Å; S71-N73 PolarHBondContact O-OD1 2.82Å; S71-N73 PolarHBondContact OG-OD1 3.39Å | ||
| 72 | G | 50.7 | Low | 50.3 | Low | 93 Ų | 93 | 136.1 Ų | 136.1 | 96% | 0.959 | 78% | 0.78 | S | S | * | * | trans | -78.9 | 68.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 73 | N | 56.2 | Low | 50.3 | Low | 98 Ų | 98 | 140.9 Ų | 140.9 | 52% | 0.524 | 79% | 0.791 | S | S | . | * | trans | -154.8 | 51.6 | -177 | 58 | -13 | 0 | 0 | 0 | 114.1 | S71 | S71-N73 VanDerWaalsContact C-N 3.3Å; S71-N73 PolarHBondContact O-N 3.33Å; S71-N73 PolarHBondContact O-OD1 2.82Å; S71-N73 PolarHBondContact OG-OD1 3.39Å | ||
| 74 | K | 59 | Low | 51.4 | Low | 195 Ų | 195 | 140 Ų | 140 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -131.2 | 62.8 | 171.7 | -70.4 | -163.9 | 176.1 | -171.4 | 0 | 113.2 | ||||
| 75 | L | 60 | Low | 52.5 | Low | 168 Ų | 168 | 143.5 Ų | 143.5 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | trans | -128.3 | 28.4 | 163.7 | -70.2 | 178.2 | 0 | 0 | 0 | 111.8 | L77 | L75-L77 PolarHBondContact O-N 2.92Š| ||
| 76 | F | 52.2 | Low | 53.3 | Low | 187 Ų | 187 | 146.3 Ų | 146.3 | 82% | 0.82 | 78% | 0.783 | S | S | * | * | trans | -73.5 | 116.5 | 159.7 | -67.9 | -76.6 | 0 | 0 | 0 | 107.6 | ||||
| 77 | L | 55.2 | Low | 53.7 | Low | 133 Ų | 133 | 143.7 Ų | 143.7 | 70% | 0.696 | 78% | 0.78 | S | S | * | * | trans | -63 | 138.2 | 169.6 | -75.9 | 75.9 | 0 | 0 | 0 | 108.4 | L75 F79 | L75-L77 PolarHBondContact O-N 2.92Å; L77-F79 HydrophobicContact CB-CE2 4.19Å; L77-F79 WeakPolarHBondContact O-CD2 3.26Å; L77-F79 PolarHBondContact O-N 3.13Å | ||
| 78 | D | 56.8 | Low | 54.6 | Low | 127 Ų | 127 | 144.7 Ų | 144.7 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | trans | -77.5 | 101.4 | 174.8 | -172.7 | 2.5 | 0 | 0 | 0 | 109.7 | Q80 | D78-Q80 PolarHBondContact O-N 3.24Å; D78-Q80 WeakPolarHBondContact OD1-CB 3.44Å; D78-Q80 WeakPolarHBondContact OD1-CG 3Å; D78-Q80 PolarHBondContact OD1-N 3.09Å | ||
| 79 | F | 58.8 | Low | 55 | Low | 169 Ų | 169 | 139.4 Ų | 139.4 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -75.2 | 7.4 | -177.8 | -77.4 | -85.1 | 0 | 0 | 0 | 114 | L77 S81 | L77-F79 HydrophobicContact CB-CE2 4.19Å; L77-F79 WeakPolarHBondContact O-CD2 3.26Å; L77-F79 PolarHBondContact O-N 3.13Å; F79-S81 PolarHBondContact O-N 3.32Å; F79-S81 VanDerWaalsContact O-N 3.1Å |
| 80 | Q | 58.9 | Low | 55.8 | Low | 160 Ų | 160 | 142.8 Ų | 142.8 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -65.4 | -7.2 | 177 | -71.8 | -72.2 | -4.9 | 0 | 0 | 114.8 | D78 | D78-Q80 PolarHBondContact O-N 3.24Å; D78-Q80 WeakPolarHBondContact OD1-CB 3.44Å; D78-Q80 WeakPolarHBondContact OD1-CG 3Å; D78-Q80 PolarHBondContact OD1-N 3.09Å |
| 81 | S | 56.2 | Low | 56 | Low | 107 Ų | 107 | 147.2 Ų | 147.2 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -95.4 | 21 | -176.7 | 56.4 | 0 | 0 | 0 | 0 | 115.6 | F79 | F79-S81 PolarHBondContact O-N 3.32Å; F79-S81 VanDerWaalsContact O-N 3.1Å |
| 82 | M | 54.3 | Low | 56.9 | Low | 155 Ų | 155 | 149 Ų | 149 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | -114 | 62.3 | 166.8 | -69.7 | -158.5 | 76.3 | 0 | 0 | 112.8 | I84 | M82-I84 PolarHBondContact O-N 2.7Å; M82-I84 VanDerWaalsContact O-N 3.12Å | ||
| 83 | K | 53.8 | Low | 57.3 | Low | 196 Ų | 196 | 150 Ų | 150 | 85% | 0.852 | 76% | 0.76 | S | S | * | * | trans | -68.9 | 102.6 | 154.1 | -83 | -172.8 | 176.3 | -179.5 | 0 | 108.2 | I85 | K83-I85 VanDerWaalsContact C-N 3.31Å; K83-I85 PolarHBondContact O-N 2.71Å | ||
| 84 | I | 59.8 | Low | 57.6 | Low | 150 Ų | 150 | 149.9 Ų | 149.9 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -63.8 | 98.8 | 162.4 | -59.7 | 170.7 | 0 | 0 | 0 | 106.3 | M82 K86 | M82-I84 PolarHBondContact O-N 2.7Å; M82-I84 VanDerWaalsContact O-N 3.12Å; I84-K86 PolarHBondContact O-N 2.9Å | ||
| 85 | I | 60.7 | Low | 57.8 | Low | 147 Ų | 147 | 145 Ų | 145 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | -58.3 | 132.7 | 157.5 | 34.7 | 174.3 | 0 | 0 | 0 | 106.8 | K83 E87 | K83-I85 VanDerWaalsContact C-N 3.31Å; K83-I85 PolarHBondContact O-N 2.71Å; I85-E87 PolarHBondContact O-N 2.81Å | ||
| 86 | K | 59.4 | Low | 58.1 | Low | 179 Ų | 179 | 144.2 Ų | 144.2 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | trans | -68.1 | 107.4 | 169.4 | -73.2 | -172 | 174.4 | -168.9 | 0 | 107.1 | I84 D88 | I84-K86 PolarHBondContact O-N 2.9Å; K86-D88 PolarHBondContact O-N 3.28Å | ||
| 87 | E | 52.6 | Low | 58.5 | Low | 171 Ų | 171 | 140.2 Ų | 140.2 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | trans | -78.2 | 79.2 | 165.9 | -172.6 | 160.1 | -152.5 | 0 | 0 | 106.9 | I85 A89 | I85-E87 PolarHBondContact O-N 2.81Å; E87-A89 HydrophobicContact CG-CB 3.92Å; E87-A89 PolarHBondContact O-N 3.11Å | ||
| 88 | D | 56.1 | Low | 59.2 | Low | 141 Ų | 141 | 137.2 Ų | 137.2 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | trans | -69.6 | 74.8 | 156.6 | -67.6 | -53.5 | 0 | 0 | 0 | 106.2 | K86 | K86-D88 PolarHBondContact O-N 3.28Š| ||
| 89 | A | 56.9 | Low | 59.7 | Low | 70 Ų | 70 | 137.3 Ų | 137.3 | 58% | 0.579 | 74% | 0.738 | S | S | * | * | trans | -80 | 113.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | E87 | E87-A89 HydrophobicContact CG-CB 3.92Å; E87-A89 PolarHBondContact O-N 3.11Å | ||
| 90 | D | 52.9 | Low | 60 | Low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | trans | -55.6 | 140.8 | 171 | -69.7 | -69.1 | 0 | 0 | 0 | 110.4 | D92 | D90-D92 HydrophobicContact CB-CB 4.09Å; D90-D92 PolarHBondContact O-N 3.22Å | ||
| 91 | E | 56.7 | Low | 60.5 | Low | 207 Ų | 207 | 132.3 Ų | 132.3 | 97% | 0.967 | 73% | 0.729 | S | S | * | * | trans | -72.9 | 47.5 | 166.4 | -68 | -87.1 | 178.3 | 0 | 0 | 110 | ||||
| 92 | D | 67.1 | Low | 61.4 | Low | 128 Ų | 128 | 133.1 Ų | 133.1 | 68% | 0.684 | 72% | 0.716 | S | S | * | * | trans | -98.2 | 95.8 | 179.7 | -175.1 | 20.9 | 0 | 0 | 0 | 111.6 | D90 | D90-D92 HydrophobicContact CB-CB 4.09Å; D90-D92 PolarHBondContact O-N 3.22Å | ||
| 93 | S | 60.8 | Low | 62.3 | Low | 114 Ų | 114 | 132.8 Ų | 132.8 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | trans | -157 | 76.9 | 153.6 | -81.2 | 0 | 0 | 0 | 0 | 109.1 | S95 | S93-S95 PolarHBondContact O-N 2.89Å; S93-S95 VanDerWaalsContact O-N 3.11Å | ||
| 94 | A | 61 | Low | 63.1 | Low | 97 Ų | 97 | 129 Ų | 129 | 80% | 0.802 | 71% | 0.712 | S | S | * | * | trans | -57.9 | 113.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 95 | S | 63.5 | Low | 63.6 | Low | 93 Ų | 93 | 129.4 Ų | 129.4 | 65% | 0.65 | 71% | 0.714 | S | S | * | * | trans | -105.3 | 53.1 | -178.9 | -155.5 | 0 | 0 | 0 | 0 | 112.3 | S93 L97 | S93-S95 PolarHBondContact O-N 2.89Å; S93-S95 VanDerWaalsContact O-N 3.11Å; S95-L97 VanDerWaalsContact C-N 3.34Å; S95-L97 PolarHBondContact O-N 3.25Å | ||
| 96 | D | 65.6 | Low | 63.9 | Low | 151 Ų | 151 | 127.2 Ų | 127.2 | 81% | 0.807 | 71% | 0.709 | S | S | * | * | trans | -96.6 | 57.3 | 173.3 | -165.7 | 25.1 | 0 | 0 | 0 | 110.9 | ||||
| 97 | L | 60.5 | Low | 64.5 | Low | 102 Ų | 102 | 124.2 Ų | 124.2 | 53% | 0.534 | 71% | 0.708 | S | S | . | * | trans | -110.5 | 125.1 | 166.6 | -65.1 | -176.2 | 0 | 0 | 0 | 108.1 | S95 E101 R102 | S95-L97 VanDerWaalsContact C-N 3.34Å; S95-L97 PolarHBondContact O-N 3.25Å; L97-E101 WeakPolarHBondContact CA-OE1 3.11Å; L97-E101 HydrophobicContact CB-CG 3.91Å; L97-E101 HydrophobicContact CD2-CG 4.38Å; L97-R102 PolarHBondContact O-NE 3.16Å | ||
| 98 | S | 71.4 | Confident | 65.6 | Low | 71 Ų | 71 | 119.2 Ų | 119.2 | 50% | 0.497 | 69% | 0.691 | S | S | . | * | trans | -65.1 | 150.5 | -178 | -86 | 0 | 0 | 0 | 0 | 111.5 | S100 E101 | S98-S100 PolarHBondContact O-N 2.91Å; S98-E101 PolarHBondContact N-OE1 3.27Å; S98-E101 PolarHBondContact O-N 2.79Å | ||
| 99 | D | 67.4 | Low | 66.3 | Low | 129 Ų | 129 | 118.8 Ų | 118.8 | 69% | 0.69 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -14 | -178.2 | -69.1 | -54.7 | 0 | 0 | 0 | 114.1 | R102 | D99-R102 WeakPolarHBondContact OD1-CD 3.45Å; D99-R102 IonicContact OD1-CZ 3.77Å; D99-R102 IonicContact OD1-NE 2.6Å; D99-R102 IonicContact OD1-NH1 2.63Å; D99-R102 PolarHBondContact OD1-NH1 3.46Å |
| 100 | S | 64.6 | Low | 67.1 | Low | 114 Ų | 114 | 122.8 Ų | 122.8 | 80% | 0.797 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -19.7 | 172.4 | 50 | 0 | 0 | 0 | 0 | 115.6 | S98 | S98-S100 PolarHBondContact O-N 2.91Š|
| 101 | E | 68.5 | Low | 68.2 | Low | 109 Ų | 109 | 120 Ų | 120 | 51% | 0.509 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.6 | -4.1 | 179.8 | 77.3 | -150.7 | 119.2 | 0 | 0 | 113.6 | L97 S98 I103 | L97-E101 WeakPolarHBondContact CA-OE1 3.11Å; L97-E101 HydrophobicContact CB-CG 3.91Å; L97-E101 HydrophobicContact CD2-CG 4.38Å; S98-E101 PolarHBondContact N-OE1 3.27Å; S98-E101 PolarHBondContact O-N 2.79Å; E101-I103 PolarHBondContact O-N 3.43Å; E101-I103 VanDerWaalsContact O-N 3.08Å |
| 102 | R | 75.6 | Confident | 69.4 | Low | 125 Ų | 125 | 115.1 Ų | 115.1 | 47% | 0.472 | 68% | 0.682 | S | S | . | * | trans | -68.9 | 103.3 | 171.2 | -68.8 | -179.1 | 175.9 | 171.1 | -10.5 | 110.1 | L97 D99 P104 | L97-R102 PolarHBondContact O-NE 3.16Å; D99-R102 WeakPolarHBondContact OD1-CD 3.45Å; D99-R102 IonicContact OD1-CZ 3.77Å; D99-R102 IonicContact OD1-NE 2.6Å; D99-R102 IonicContact OD1-NH1 2.63Å; D99-R102 PolarHBondContact OD1-NH1 3.46Å; R102-P104 WeakPolarHBondContact O-CD 3.43Å | ||
| 103 | I | 73.6 | Confident | 70.1 | Confident | 147 Ų | 147 | 113.9 Ų | 113.9 | 75% | 0.754 | 68% | 0.681 | S | S | * | * | trans | -54.2 | 125.9 | 172.6 | -58 | 174.7 | 0 | 0 | 0 | 108.7 | E101 I105 | E101-I103 PolarHBondContact O-N 3.43Å; E101-I103 VanDerWaalsContact O-N 3.08Å; I103-I105 PolarHBondContact O-N 3.48Å | ||
| 104 | P | 69.8 | Low | 71.2 | Confident | 118 Ų | 118 | 115 Ų | 115 | 77% | 0.766 | 68% | 0.678 | S | S | * | * | trans | -60.8 | 105.6 | 177.2 | -25.2 | 35.2 | 0 | 0 | 0 | 111 | R102 P106 | R102-P104 WeakPolarHBondContact O-CD 3.43Å; P104-P106 WeakPolarHBondContact O-CD 3.45Å | ||
| 105 | I | 70.6 | Confident | 72.3 | Confident | 158 Ų | 158 | 115.9 Ų | 115.9 | 81% | 0.81 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 118.9 | 175.9 | -58.2 | 176.2 | 0 | 0 | 0 | 107.2 | I103 | I103-I105 PolarHBondContact O-N 3.48Š|
| 106 | P | 68.3 | Low | 73.1 | Confident | 101 Ų | 101 | 118.2 Ų | 118.2 | 66% | 0.656 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 144.1 | 176.9 | 26.9 | -33.9 | 0 | 0 | 0 | 109.5 | P104 S108 | P104-P106 WeakPolarHBondContact O-CD 3.45Å; P106-S108 PolarHBondContact O-N 2.87Å |
| 107 | P | 71.4 | Confident | 74.1 | Confident | 116 Ų | 116 | 118 Ų | 118 | 75% | 0.753 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 134.1 | -176 | 23.3 | -33.8 | 0 | 0 | 0 | 110.6 | ||
| 108 | S | 74.8 | Confident | 75.3 | Confident | 65 Ų | 65 | 122 Ų | 122 | 46% | 0.455 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 134.5 | -174.7 | 176.4 | 0 | 0 | 0 | 0 | 111 | P106 L110 T111 | P106-S108 PolarHBondContact O-N 2.87Å; S108-L110 PolarHBondContact O-N 3.09Å; S108-L110 PolarHBondContact OG-N 3.27Å; S108-T111 VanDerWaalsContact O-CB 3.31Å; S108-T111 WeakPolarHBondContact O-CB 3.23Å; S108-T111 PolarHBondContact O-N 2.91Å; S108-T111 PolarHBondContact O-OG1 3.41Å |
| 109 | P | 71.7 | Confident | 75.8 | Confident | 132 Ų | 132 | 122.6 Ų | 122.6 | 86% | 0.857 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -3.6 | 178.1 | 29.7 | -36.4 | 0 | 0 | 0 | 113.4 | ||
| 110 | L | 73.2 | Confident | 76.5 | Confident | 155 Ų | 155 | 124.7 Ų | 124.7 | 81% | 0.812 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 3.1 | 172.8 | -57.7 | 178.9 | 0 | 0 | 0 | 113.1 | S108 P112 | S108-L110 PolarHBondContact O-N 3.09Å; S108-L110 PolarHBondContact OG-N 3.27Å; L110-P112 WeakPolarHBondContact O-CD 3.14Å |
| 111 | T | 77.2 | Confident | 77.3 | Confident | 87 Ų | 87 | 126.6 Ų | 126.6 | 53% | 0.534 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -66.1 | 120.4 | 172.2 | -47.8 | 0 | 0 | 0 | 0 | 108.7 | S108 | S108-T111 VanDerWaalsContact O-CB 3.31Å; S108-T111 WeakPolarHBondContact O-CB 3.23Å; S108-T111 PolarHBondContact O-N 2.91Å; S108-T111 PolarHBondContact O-OG1 3.41Å |
| 112 | P | 81.3 | Confident | 77.9 | Confident | 106 Ų | 106 | 126.1 Ų | 126.1 | 69% | 0.688 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 146.7 | 175.9 | 27.8 | -34.2 | 0 | 0 | 0 | 110.2 | L110 | L110-P112 WeakPolarHBondContact O-CD 3.14Š|
| 113 | P | 80.9 | Confident | 78.1 | Confident | 101 Ų | 101 | 123.7 Ų | 123.7 | 66% | 0.656 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 142.3 | 178.3 | 27.3 | -34.8 | 0 | 0 | 0 | 110.9 | L115 | P113-L115 HydrophobicContact CB-CD2 4.46Å; P113-L115 HydrophobicContact CG-CD2 4.23Å; P113-L115 PolarHBondContact O-N 2.86Å |
| 114 | D | 84.1 | Confident | 78.1 | Confident | 139 Ų | 139 | 121.3 Ų | 121.3 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | trans | -70.7 | 98.5 | 176.2 | -178.9 | 37.8 | 0 | 0 | 0 | 110.8 | N116 | D114-N116 PolarHBondContact O-N 3.42Å; D114-N116 PolarHBondContact O-ND2 3.25Å; D114-N116 PolarHBondContact OD2-ND2 3.38Å | ||
| 115 | L | 84.8 | Confident | 78.3 | Confident | 115 Ų | 115 | 120.1 Ų | 120.1 | 60% | 0.602 | 67% | 0.672 | S | S | * | * | trans | -88 | 102.8 | -177.7 | -62.9 | -175.7 | 0 | 0 | 0 | 110.4 | P113 L117 | P113-L115 HydrophobicContact CB-CD2 4.46Å; P113-L115 HydrophobicContact CG-CD2 4.23Å; P113-L115 PolarHBondContact O-N 2.86Å; L115-L117 HydrophobicContact CB-CD2 4.11Å; L115-L117 HydrophobicContact CB-CG 3.95Å; L115-L117 PolarHBondContact O-N 3.31Å | ||
| 116 | N | 80.9 | Confident | 78.1 | Confident | 142 Ų | 142 | 121.6 Ų | 121.6 | 76% | 0.759 | 67% | 0.668 | S | S | * | * | trans | -74.1 | 68.6 | 174.3 | -79.3 | -99.1 | 0 | 0 | 0 | 110.8 | D114 R118 | D114-N116 PolarHBondContact O-N 3.42Å; D114-N116 PolarHBondContact O-ND2 3.25Å; D114-N116 PolarHBondContact OD2-ND2 3.38Å; N116-R118 PolarHBondContact O-N 3.48Å | ||
| 117 | L | 85 | Confident | 77.9 | Confident | 147 Ų | 147 | 124 Ų | 124 | 77% | 0.77 | 67% | 0.669 | S | S | * | * | trans | -74.9 | 101.1 | -177.7 | -61.5 | -177.6 | 0 | 0 | 0 | 111.3 | L115 | L115-L117 HydrophobicContact CB-CD2 4.11Å; L115-L117 HydrophobicContact CB-CG 3.95Å; L115-L117 PolarHBondContact O-N 3.31Å | ||
| 118 | R | 85.6 | Confident | 77.5 | Confident | 185 Ų | 185 | 123.2 Ų | 123.2 | 70% | 0.698 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -72 | 141.7 | 159.8 | 158.9 | 171.5 | 169.4 | 152.6 | 1.9 | 109.3 | N116 E121 | N116-R118 PolarHBondContact O-N 3.48Å; R118-E121 IonicContact CZ-OE2 3.09Å; R118-E121 VanDerWaalsContact NH2-CB 3.31Å; R118-E121 IonicContact NH2-OE2 3.85Å; R118-E121 PolarHBondContact NH2-OE2 3.22Å |
| 119 | A | 83.4 | Confident | 76.9 | Confident | 83 Ų | 83 | 126.1 Ų | 126.1 | 69% | 0.686 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 133.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E121 | A119-E121 PolarHBondContact O-N 3.49Š|
| 120 | E | 81 | Confident | 76.2 | Confident | 173 Ų | 173 | 127 Ų | 127 | 81% | 0.808 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 126.9 | 173.7 | -171.9 | 169.7 | -170.8 | 0 | 0 | 109.9 | I122 | E120-I122 HydrophobicContact CG-CG1 4.14Å; E120-I122 PolarHBondContact O-N 3.27Å |
| 121 | E | 82.8 | Confident | 75.2 | Confident | 154 Ų | 154 | 125.9 Ų | 125.9 | 72% | 0.72 | 66% | 0.662 | S | S | * | * | trans | -91.3 | 83.5 | 179.6 | -176.1 | 170.1 | -170.1 | 0 | 0 | 108.1 | R118 A119 D123 | R118-E121 IonicContact CZ-OE2 3.09Å; R118-E121 VanDerWaalsContact NH2-CB 3.31Å; R118-E121 IonicContact NH2-OE2 3.85Å; R118-E121 PolarHBondContact NH2-OE2 3.22Å; A119-E121 PolarHBondContact O-N 3.49Å; E121-D123 PolarHBondContact O-N 2.93Å; E121-D123 VanDerWaalsContact O-N 3.17Å | ||
| 122 | I | 79.3 | Confident | 74 | Confident | 100 Ų | 100 | 125.3 Ų | 125.3 | 51% | 0.513 | 67% | 0.674 | S | S | . | * | trans | -72.4 | 106.9 | 178.8 | -50.4 | 176 | 0 | 0 | 0 | 108.2 | E120 F127 | E120-I122 HydrophobicContact CG-CG1 4.14Å; E120-I122 PolarHBondContact O-N 3.27Å; I122-F127 HydrophobicContact CG2-CE2 3.63Å; I122-F127 HydrophobicContact CG2-CZ 3.93Å | ||
| 123 | D | 81.1 | Confident | 72.4 | Confident | 73 Ų | 73 | 127 Ų | 127 | 39% | 0.39 | 67% | 0.673 | S | S | . | * | trans | -59.5 | 125.8 | 175.5 | -178.6 | -10.7 | 0 | 0 | 0 | 110.1 | E121 V125 Y126 | E121-D123 PolarHBondContact O-N 2.93Å; E121-D123 VanDerWaalsContact O-N 3.17Å; D123-V125 PolarHBondContact O-N 2.95Å; D123-V125 WeakPolarHBondContact OD1-CB 3.28Å; D123-V125 VanDerWaalsContact OD1-CG2 3.29Å; D123-V125 WeakPolarHBondContact OD1-CG2 3.29Å; D123-V125 PolarHBondContact OD1-N 3.12Å; D123-Y126 HydrophobicContact CB-CD2 3.8Å; D123-Y126 HydrophobicContact CB-CE2 3.95Å; D123-Y126 WeakPolarHBondContact O-CD2 3.37Å; D123-Y126 PolarHBondContact O-N 2.98Å | ||
| 124 | P | 73.9 | Confident | 71.1 | Confident | 97 Ų | 97 | 126.1 Ų | 126.1 | 63% | 0.63 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -55.1 | -23.3 | 176.1 | 22.5 | -34.3 | 0 | 0 | 0 | 113.9 | Y126 F127 D128 | P124-Y126 PolarHBondContact O-N 2.99Å; P124-F127 PolarHBondContact O-N 3.09Å; P124-D128 PolarHBondContact O-N 3.07Å |
| 125 | V | 72.5 | Confident | 69.2 | Low | 94 Ų | 94 | 126 Ų | 126 | 57% | 0.57 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -59.7 | -26.7 | 175.4 | 177.1 | 0 | 0 | 0 | 0 | 112.5 | D123 F127 D128 | D123-V125 PolarHBondContact O-N 2.95Å; D123-V125 WeakPolarHBondContact OD1-CB 3.28Å; D123-V125 VanDerWaalsContact OD1-CG2 3.29Å; D123-V125 WeakPolarHBondContact OD1-CG2 3.29Å; D123-V125 PolarHBondContact OD1-N 3.12Å; V125-F127 PolarHBondContact O-N 2.68Å; V125-D128 PolarHBondContact O-N 3.09Å; V125-D128 VanDerWaalsContact O-N 3.12Å |
| 126 | Y | 66.1 | Low | 67.9 | Low | 188 Ų | 188 | 127 Ų | 127 | 74% | 0.737 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -66.5 | -16.7 | 173.2 | -72.5 | -69.2 | 0 | 0 | 0 | 114 | D123 P124 | D123-Y126 HydrophobicContact CB-CD2 3.8Å; D123-Y126 HydrophobicContact CB-CE2 3.95Å; D123-Y126 WeakPolarHBondContact O-CD2 3.37Å; D123-Y126 PolarHBondContact O-N 2.98Å; P124-Y126 PolarHBondContact O-N 2.99Å |
| 127 | F | 65.4 | Low | 66.6 | Low | 152 Ų | 152 | 128.3 Ų | 128.3 | 67% | 0.667 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -97.4 | -12.6 | 173.4 | -57 | -75 | 0 | 0 | 0 | 113 | I122 P124 V125 L129 | I122-F127 HydrophobicContact CG2-CE2 3.63Å; I122-F127 HydrophobicContact CG2-CZ 3.93Å; P124-F127 PolarHBondContact O-N 3.09Å; V125-F127 PolarHBondContact O-N 2.68Å; F127-L129 PolarHBondContact O-N 3.44Å |
| 128 | D | 63.3 | Low | 65.3 | Low | 100 Ų | 100 | 125.6 Ų | 125.6 | 54% | 0.535 | 68% | 0.677 | S | S | . | * | trans | -80.5 | 65.6 | 179 | -112.8 | -22 | 0 | 0 | 0 | 111.5 | P124 V125 H130 | P124-D128 PolarHBondContact O-N 3.07Å; V125-D128 PolarHBondContact O-N 3.09Å; V125-D128 VanDerWaalsContact O-N 3.12Å; D128-H130 PolarHBondContact O-N 2.81Å | ||
| 129 | L | 62.4 | Low | 64.3 | Low | 125 Ų | 125 | 124 Ų | 124 | 65% | 0.654 | 68% | 0.678 | S | S | * | * | trans | -65.7 | 81.9 | 160.1 | -71 | 175.3 | 0 | 0 | 0 | 108.7 | F127 P138 | F127-L129 PolarHBondContact O-N 3.44Å; L129-P138 HydrophobicContact CD1-CG 4.45Å; L129-P138 HydrophobicContact CD2-CG 4.36Å | ||
| 130 | H | 56.4 | Low | 63.3 | Low | 151 Ų | 151 | 130.6 Ų | 130.6 | 70% | 0.699 | 69% | 0.686 | S | S | * | * | trans | -37.1 | 115.2 | -168.8 | -77.4 | -60.6 | 0 | 0 | 0 | 113.8 | D128 G132 | D128-H130 PolarHBondContact O-N 2.81Å; H130-G132 PolarHBondContact O-N 3.22Å | ||
| 131 | P | 51.3 | Low | 62.9 | Low | 131 Ų | 131 | 127.2 Ų | 127.2 | 85% | 0.851 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 15.7 | -177.8 | 31.4 | -36.9 | 0 | 0 | 0 | 114 | ||
| 132 | G | 52.1 | Low | 62.5 | Low | 75 Ų | 75 | 129 Ų | 129 | 77% | 0.773 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -10.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | H130 | H130-G132 PolarHBondContact O-N 3.22Š|
| 133 | Q | 48.9 | Very low | 62.6 | Low | 143 Ų | 143 | 128.7 Ų | 128.7 | 67% | 0.668 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -104.5 | 121.2 | -177.9 | -165.7 | 168.4 | -17.8 | 0 | 0 | 111.5 | H135 | Q133-H135 PolarHBondContact NE2-CD2 3.35Å; Q133-H135 PolarHBondContact NE2-NE2 3.31Å; Q133-H135 PolarHBondContact O-N 2.84Å |
| 134 | G | 52.3 | Low | 62.6 | Low | 81 Ų | 81 | 129.4 Ų | 129.4 | 84% | 0.835 | 69% | 0.691 | S | S | * | * | trans | -73.9 | 47.6 | -173 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 135 | H | 45.4 | Very low | 63.3 | Low | 138 Ų | 138 | 129.1 Ų | 129.1 | 64% | 0.639 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -104.9 | 155 | 164.5 | -57.3 | -42.4 | 0 | 0 | 0 | 108.7 | Q133 K137 | Q133-H135 PolarHBondContact NE2-CD2 3.35Å; Q133-H135 PolarHBondContact NE2-NE2 3.31Å; Q133-H135 PolarHBondContact O-N 2.84Å; H135-K137 PolarHBondContact O-N 3.35Å |
| 136 | T | 56.5 | Low | 64.2 | Low | 134 Ų | 134 | 124.9 Ų | 124.9 | 82% | 0.822 | 65% | 0.654 | S | S | * | * | trans | -48.1 | 135.2 | 168.7 | 46.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 137 | K | 54.1 | Low | 65.4 | Low | 171 Ų | 171 | 118.8 Ų | 118.8 | 74% | 0.743 | 64% | 0.637 | S | S | * | * | trans | -44.3 | 143 | 170.8 | -73.5 | -179.7 | 175.6 | 179 | 0 | 108.7 | H135 E139 | H135-K137 PolarHBondContact O-N 3.35Å; K137-E139 PolarHBondContact O-N 3.46Å | ||
| 138 | P | 56.9 | Low | 66.5 | Low | 90 Ų | 90 | 116.8 Ų | 116.8 | 58% | 0.584 | 64% | 0.64 | S | S | * | * | trans | -65.5 | 75.6 | 151.1 | 31 | -31.4 | 0 | 0 | 0 | 106.4 | L129 Y140 | L129-P138 HydrophobicContact CD1-CG 4.45Å; L129-P138 HydrophobicContact CD2-CG 4.36Å; P138-Y140 PolarHBondContact O-N 2.8Å; P138-Y140 VanDerWaalsContact O-N 3.09Å | ||
| 139 | E | 65.6 | Low | 67.7 | Low | 152 Ų | 152 | 116.3 Ų | 116.3 | 71% | 0.71 | 64% | 0.642 | S | S | * | * | trans | -54.6 | 116.5 | 167.8 | -167.7 | 148.4 | -103.3 | 0 | 0 | 104.4 | K137 C141 | K137-E139 PolarHBondContact O-N 3.46Å; E139-C141 PolarHBondContact O-N 2.83Å; E139-C141 PolarHBondContact O-SG 3.11Å; E139-C141 VanDerWaalsContact O-SG 3.32Å | ||
| 140 | Y | 61.6 | Low | 69 | Low | 220 Ų | 220 | 112.3 Ų | 112.3 | 86% | 0.863 | 62% | 0.619 | S | S | * | * | trans | -80.2 | 66.3 | -161.3 | -143.5 | -89.5 | 0 | 0 | 0 | 108.6 | P138 Y142 | P138-Y140 PolarHBondContact O-N 2.8Å; P138-Y140 VanDerWaalsContact O-N 3.09Å; Y140-Y142 PolarHBondContact O-N 3.46Å | ||
| 141 | C | 72.1 | Confident | 70.6 | Confident | 103 Ų | 103 | 107 Ų | 107 | 70% | 0.696 | 60% | 0.599 | S | S | * | * | trans | -61 | 101.5 | -173.2 | -66 | 0 | 0 | 0 | 0 | 108.1 | E139 | E139-C141 PolarHBondContact O-N 2.83Å; E139-C141 PolarHBondContact O-SG 3.11Å; E139-C141 VanDerWaalsContact O-SG 3.32Å | ||
| 142 | Y | 75.1 | Confident | 72.4 | Confident | 191 Ų | 191 | 105.7 Ų | 105.7 | 75% | 0.749 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -54 | 132.3 | 169.8 | -166.3 | -92.4 | 0 | 0 | 0 | 108.1 | Y140 | Y140-Y142 PolarHBondContact O-N 3.46Š|
| 143 | P | 80.8 | Confident | 74.3 | Confident | 94 Ų | 94 | 104.7 Ų | 104.7 | 61% | 0.61 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 144.9 | -177.8 | 25.8 | -35.3 | 0 | 0 | 0 | 110 | F145 | P143-F145 PolarHBondContact O-N 2.72Š|
| 144 | D | 82.7 | Confident | 76.3 | Confident | 87 Ų | 87 | 102 Ų | 102 | 47% | 0.465 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 125.9 | -176.2 | -153.7 | -45.9 | 0 | 0 | 0 | 111.2 | L146 S151 | D144-L146 VanDerWaalsContact C-N 3.31Å; D144-L146 PolarHBondContact OD1-N 3Å; D144-S151 VanDerWaalsContact CG-CB 3.49Å; D144-S151 VanDerWaalsContact OD2-C 3.3Å; D144-S151 WeakPolarHBondContact OD2-CA 3.26Å; D144-S151 WeakPolarHBondContact OD2-CB 3.16Å |
| 145 | F | 88.3 | Confident | 78.1 | Confident | 92 Ų | 92 | 99 Ų | 99 | 40% | 0.404 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -83.8 | -9.8 | -179.6 | 55.2 | -92.6 | 0 | 0 | 0 | 112.1 | P143 L155 L185 | P143-F145 PolarHBondContact O-N 2.72Å; F145-L155 HydrophobicContact CE2-CD1 3.59Å; F145-L155 HydrophobicContact CE2-CG 4.11Å; F145-L155 HydrophobicContact CZ-CD1 3.56Å; F145-L155 HydrophobicContact CZ-CG 4.03Å; F145-L185 HydrophobicContact CD2-CD1 3.77Å; F145-L185 HydrophobicContact CE2-CD1 3.86Å |
| 146 | L | 91.1 | Very high | 80.4 | Confident | 4 Ų | 4 | 98.3 Ų | 98.3 | 2% | 0.021 | 51% | 0.513 | C | S | . | . | S | Bend | trans | -105 | 132 | 172.8 | -65.1 | -176.3 | 0 | 0 | 0 | 111.2 | D144 F150 W153 Y181 I182 L185 | D144-L146 VanDerWaalsContact C-N 3.31Å; D144-L146 PolarHBondContact OD1-N 3Å; L146-F150 HydrophobicContact CB-CB 4Å; L146-F150 HydrophobicContact CD1-CB 4.17Å; L146-F150 VanDerWaalsContact CD1-O 3.28Å; L146-F150 WeakPolarHBondContact CD1-O 3.16Å; L146-W153 HydrophobicContact CD1-CB 4.39Å; L146-Y181 HydrophobicContact CD2-CD1 4.24Å; L146-Y181 HydrophobicContact CD2-CE1 4.05Å; L146-I182 HydrophobicContact CD1-CG1 4.43Å; L146-I182 HydrophobicContact CD2-CD1 4.32Å; L146-I182 HydrophobicContact CD2-CG1 3.67Å; L146-L185 HydrophobicContact CD2-CD1 3.75Å |
| 147 | P | 90.3 | Very high | 82 | Confident | 61 Ų | 61 | 96.6 Ų | 96.6 | 40% | 0.396 | 50% | 0.499 | S | S | . | . | trans | -67.5 | 144.1 | 174.2 | 29.3 | -34 | 0 | 0 | 0 | 110.1 | F150 L178 | P147-F150 WeakPolarHBondContact O-CB 3.41Å; P147-F150 WeakPolarHBondContact O-CD2 3.35Å; P147-F150 PolarHBondContact O-N 3.03Å; P147-L178 HydrophobicContact CG-CD1 3.95Å; P147-L178 HydrophobicContact CG-CD2 3.81Å | ||
| 148 | P | 89.2 | Confident | 83.8 | Confident | 110 Ų | 110 | 90.4 Ų | 90.4 | 71% | 0.714 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 138.9 | 170.8 | -27.6 | 35.5 | 0 | 0 | 0 | 111.7 | ||
| 149 | P | 89.1 | Confident | 85.5 | Confident | 90 Ų | 90 | 86.1 Ų | 86.1 | 58% | 0.584 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -86.5 | 1.5 | 8.5 | 36.6 | -38.4 | 0 | 0 | 0 | 115.1 | S151 | P149-S151 VanDerWaalsContact C-N 3.27Å; P149-S151 PolarHBondContact O-N 3.22Å |
| 150 | F | 89.2 | Confident | 86.8 | Confident | 40 Ų | 40 | 82.6 Ų | 82.6 | 18% | 0.175 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -79.1 | -10.5 | -171.2 | -49.7 | -64.7 | 0 | 0 | 0 | 113.7 | L146 P147 S152 W153 V174 L178 I182 | L146-F150 HydrophobicContact CB-CB 4Å; L146-F150 HydrophobicContact CD1-CB 4.17Å; L146-F150 VanDerWaalsContact CD1-O 3.28Å; L146-F150 WeakPolarHBondContact CD1-O 3.16Å; P147-F150 WeakPolarHBondContact O-CB 3.41Å; P147-F150 WeakPolarHBondContact O-CD2 3.35Å; P147-F150 PolarHBondContact O-N 3.03Å; F150-S152 PolarHBondContact O-N 3.23Å; F150-W153 HydrophobicContact CB-CD2 4.46Å; F150-W153 HydrophobicContact CD1-CD2 4.2Å; F150-W153 AromaticContact CD1-CE2 3.69Å; F150-W153 HydrophobicContact CD1-CE3 4.43Å; F150-W153 AromaticContact CD1-CH2 3.73Å; F150-W153 HydrophobicContact CD1-CH2 3.73Å; F150-W153 AromaticContact CD1-CZ2 3.45Å; F150-W153 HydrophobicContact CD1-CZ2 3.45Å; F150-W153 VanDerWaalsContact CD1-CZ2 3.45Å; F150-W153 HydrophobicContact CD1-CZ3 4.22Å; F150-W153 HydrophobicContact CE1-CH2 4Å; F150-W153 AromaticContact CE1-CZ2 3.79Å; F150-W153 HydrophobicContact CE1-CZ2 3.79Å; F150-W153 VanDerWaalsContact O-CB 3.29Å; F150-W153 WeakPolarHBondContact O-CB 3.38Å; F150-W153 PolarHBondContact O-N 2.89Å; F150-W153 VanDerWaalsContact O-N 3.13Å; F150-V174 HydrophobicContact CD1-CG2 3.69Å; F150-V174 HydrophobicContact CE1-CB 4.42Å; F150-V174 HydrophobicContact CE1-CG1 4.29Å; F150-V174 HydrophobicContact CE1-CG2 3.3Å; F150-V174 HydrophobicContact CE2-CG1 3.97Å; F150-V174 HydrophobicContact CE2-CG2 4.31Å; F150-V174 HydrophobicContact CG-CG2 4.35Å; F150-V174 HydrophobicContact CZ-CB 4.34Å; F150-V174 HydrophobicContact CZ-CG1 3.72Å; F150-V174 HydrophobicContact CZ-CG2 3.64Å; F150-L178 HydrophobicContact CD2-CD2 3.73Å; F150-L178 HydrophobicContact CE2-CD2 3.65Å; F150-I182 HydrophobicContact CB-CD1 4.24Å; F150-I182 HydrophobicContact CD1-CD1 4.5Å; F150-I182 HydrophobicContact CD2-CD1 4.43Å; F150-I182 HydrophobicContact CG-CD1 4.11Å |
| 151 | S | 89.5 | Confident | 88.1 | Confident | 40 Ų | 40 | 74.7 Ų | 74.7 | 28% | 0.28 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -47.1 | -42.1 | 171.1 | 47.5 | 0 | 0 | 0 | 0 | 113.6 | D144 P149 W153 | D144-S151 VanDerWaalsContact CG-CB 3.49Å; D144-S151 VanDerWaalsContact OD2-C 3.3Å; D144-S151 WeakPolarHBondContact OD2-CA 3.26Å; D144-S151 WeakPolarHBondContact OD2-CB 3.16Å; P149-S151 VanDerWaalsContact C-N 3.27Å; P149-S151 PolarHBondContact O-N 3.22Å; S151-W153 PolarHBondContact O-N 3.12Å; S151-W153 VanDerWaalsContact O-N 3.09Å |
| 152 | S | 89.8 | Confident | 88.9 | Confident | 104 Ų | 104 | 71.2 Ų | 71.2 | 73% | 0.727 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -83.3 | 25.1 | -178.8 | 76.4 | 0 | 0 | 0 | 0 | 114.5 | F150 | F150-S152 PolarHBondContact O-N 3.23Š|
| 153 | W | 91.1 | Very high | 89.3 | Confident | 54 Ų | 54 | 65.5 Ų | 65.5 | 21% | 0.205 | 36% | 0.36 | C | S | . | . | trans | -103.1 | 114.9 | 179.6 | -71.8 | 16.5 | 0 | 0 | 0 | 110.9 | L146 F150 S151 L155 P172 V174 I182 | L146-W153 HydrophobicContact CD1-CB 4.39Å; F150-W153 HydrophobicContact CB-CD2 4.46Å; F150-W153 HydrophobicContact CD1-CD2 4.2Å; F150-W153 AromaticContact CD1-CE2 3.69Å; F150-W153 HydrophobicContact CD1-CE3 4.43Å; F150-W153 AromaticContact CD1-CH2 3.73Å; F150-W153 HydrophobicContact CD1-CH2 3.73Å; F150-W153 AromaticContact CD1-CZ2 3.45Å; F150-W153 HydrophobicContact CD1-CZ2 3.45Å; F150-W153 VanDerWaalsContact CD1-CZ2 3.45Å; F150-W153 HydrophobicContact CD1-CZ3 4.22Å; F150-W153 HydrophobicContact CE1-CH2 4Å; F150-W153 AromaticContact CE1-CZ2 3.79Å; F150-W153 HydrophobicContact CE1-CZ2 3.79Å; F150-W153 VanDerWaalsContact O-CB 3.29Å; F150-W153 WeakPolarHBondContact O-CB 3.38Å; F150-W153 PolarHBondContact O-N 2.89Å; F150-W153 VanDerWaalsContact O-N 3.13Å; S151-W153 PolarHBondContact O-N 3.12Å; S151-W153 VanDerWaalsContact O-N 3.09Å; W153-L155 PolarHBondContact O-N 3.06Å; W153-P172 HydrophobicContact CH2-CB 3.86Å; W153-P172 HydrophobicContact CH2-CG 3.58Å; W153-P172 VanDerWaalsContact CH2-O 3.23Å; W153-P172 WeakPolarHBondContact CH2-O 3.49Å; W153-P172 HydrophobicContact CZ2-CB 3.9Å; W153-P172 HydrophobicContact CZ2-CG 3.48Å; W153-P172 VanDerWaalsContact CZ2-CG 3.48Å; W153-P172 HydrophobicContact CZ3-CG 4.37Å; W153-V174 HydrophobicContact CH2-CG2 3.53Å; W153-V174 HydrophobicContact CZ2-CG2 4.44Å; W153-V174 HydrophobicContact CZ3-CG2 3.9Å; W153-I182 HydrophobicContact CE3-CG2 4.18Å; W153-I182 HydrophobicContact CZ3-CG2 4.03Å | ||
| 154 | D | 90.9 | Very high | 89.4 | Confident | 87 Ų | 87 | 65.1 Ų | 65.1 | 47% | 0.465 | 37% | 0.365 | S | S | . | . | trans | -74.1 | 112.8 | 169.2 | -165.7 | -22.3 | 0 | 0 | 0 | 110.2 | R156 D157 M158 | D154-R156 PolarHBondContact O-N 3.47Å; D154-R156 VanDerWaalsContact OD1-CB 3.26Å; D154-R156 WeakPolarHBondContact OD1-CB 3.22Å; D154-R156 PolarHBondContact OD1-N 3Å; D154-D157 HydrophobicContact CB-CB 4.4Å; D154-D157 PolarHBondContact O-N 2.95Å; D154-M158 WeakPolarHBondContact O-CG 3.12Å; D154-M158 PolarHBondContact O-N 3.5Å; D154-M158 VanDerWaalsContact O-N 3.16Å | ||
| 155 | L | 91.9 | Very high | 88.6 | Confident | 16 Ų | 16 | 66.4 Ų | 66.4 | 8% | 0.084 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.2 | -28.5 | 175.2 | -65.7 | -179.3 | 0 | 0 | 0 | 112.7 | F145 W153 A159 L185 I186 E189 | F145-L155 HydrophobicContact CE2-CD1 3.59Å; F145-L155 HydrophobicContact CE2-CG 4.11Å; F145-L155 HydrophobicContact CZ-CD1 3.56Å; F145-L155 HydrophobicContact CZ-CG 4.03Å; W153-L155 PolarHBondContact O-N 3.06Å; L155-A159 WeakPolarHBondContact O-CB 3.5Å; L155-A159 PolarHBondContact O-N 3.08Å; L155-L185 HydrophobicContact CD1-CB 3.84Å; L155-L185 HydrophobicContact CD2-CB 3.97Å; L155-I186 HydrophobicContact CD2-CG1 3.9Å; L155-E189 HydrophobicContact CB-CB 4.19Å; L155-E189 HydrophobicContact CB-CG 4.24Å |
| 156 | R | 91.9 | Very high | 87.2 | Confident | 125 Ų | 125 | 69.1 Ų | 69.1 | 47% | 0.472 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.3 | -50.4 | -179.5 | -68.7 | -178.3 | 165.1 | 139.5 | 18.6 | 111.4 | D154 M158 A159 L160 E189 | D154-R156 PolarHBondContact O-N 3.47Å; D154-R156 VanDerWaalsContact OD1-CB 3.26Å; D154-R156 WeakPolarHBondContact OD1-CB 3.22Å; D154-R156 PolarHBondContact OD1-N 3Å; R156-M158 VanDerWaalsContact C-N 3.29Å; R156-M158 PolarHBondContact O-N 3.09Å; R156-A159 PolarHBondContact O-N 3.14Å; R156-L160 WeakPolarHBondContact O-CB 3.5Å; R156-L160 VanDerWaalsContact O-CG 3.25Å; R156-L160 WeakPolarHBondContact O-CG 3.13Å; R156-L160 PolarHBondContact O-N 2.95Å; R156-E189 HydrophobicContact CB-CG 4.48Å; R156-E189 HydrophobicContact CG-CG 3.62Å; R156-E189 WeakPolarHBondContact CG-OE1 3.38Å; R156-E189 IonicContact CZ-OE1 3.02Å; R156-E189 VanDerWaalsContact CZ-OE1 3.32Å; R156-E189 IonicContact NE-OE1 3.73Å; R156-E189 PolarHBondContact NE-OE1 3.23Å; R156-E189 IonicContact NH2-OE1 2.82Å; R156-E189 PolarHBondContact NH2-OE1 3.41Å |
| 157 | D | 91.6 | Very high | 85.7 | Confident | 98 Ų | 98 | 75.7 Ų | 75.7 | 52% | 0.524 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 177.4 | -78.7 | -1.9 | 0 | 0 | 0 | 110.7 | D154 L160 L161 | D154-D157 HydrophobicContact CB-CB 4.4Å; D154-D157 PolarHBondContact O-N 2.95Å; D157-L160 PolarHBondContact O-N 3.2Å; D157-L161 WeakPolarHBondContact O-CB 3.25Å; D157-L161 PolarHBondContact O-N 3.17Å |
| 158 | M | 91.4 | Very high | 84.2 | Confident | 40 Ų | 40 | 78 Ų | 78 | 20% | 0.197 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66 | -40.1 | 174 | -65.7 | -61.4 | 96.4 | 0 | 0 | 112.9 | D154 R156 L161 L162 V171 I186 | D154-M158 WeakPolarHBondContact O-CG 3.12Å; D154-M158 PolarHBondContact O-N 3.5Å; D154-M158 VanDerWaalsContact O-N 3.16Å; R156-M158 VanDerWaalsContact C-N 3.29Å; R156-M158 PolarHBondContact O-N 3.09Å; M158-L161 HydrophobicContact CE-CD2 4.13Å; M158-L162 WeakPolarHBondContact O-CB 3.37Å; M158-L162 PolarHBondContact O-N 2.91Å; M158-L162 VanDerWaalsContact O-N 3.09Å; M158-V171 HydrophobicContact SD-CG1 3.96Å; M158-V171 HydrophobicContact SD-CG2 4.27Å; M158-I186 HydrophobicContact CB-CD1 4.05Å; M158-I186 HydrophobicContact CB-CG1 4.26Å |
| 159 | A | 92.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L155 R156 N163 I186 E189 W190 | L155-A159 WeakPolarHBondContact O-CB 3.5Å; L155-A159 PolarHBondContact O-N 3.08Å; R156-A159 PolarHBondContact O-N 3.14Å; A159-N163 WeakPolarHBondContact O-CB 3.38Å; A159-N163 PolarHBondContact O-N 3.13Å; A159-N163 PolarHBondContact O-ND2 3.46Å; A159-I186 HydrophobicContact CB-CG2 4.09Å; A159-E189 HydrophobicContact CB-CB 4.48Å; A159-W190 HydrophobicContact CB-CB 4.06Å |
| 160 | L | 92.1 | Very high | 81.1 | Confident | 78 Ų | 78 | 80.6 Ų | 80.6 | 41% | 0.408 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.7 | -50 | 177.1 | -71.4 | 170.7 | 0 | 0 | 0 | 111 | R156 D157 L162 N163 A164 W190 V193 | R156-L160 WeakPolarHBondContact O-CB 3.5Å; R156-L160 VanDerWaalsContact O-CG 3.25Å; R156-L160 WeakPolarHBondContact O-CG 3.13Å; R156-L160 PolarHBondContact O-N 2.95Å; D157-L160 PolarHBondContact O-N 3.2Å; L160-L162 PolarHBondContact O-N 3.42Å; L160-N163 PolarHBondContact O-N 2.91Å; L160-A164 WeakPolarHBondContact O-CB 3.48Å; L160-A164 PolarHBondContact O-N 3.41Å; L160-W190 HydrophobicContact CD2-CZ3 4.32Å; L160-V193 HydrophobicContact CD2-CG1 4.36Å |
| 161 | L | 90.4 | Very high | 80.1 | Confident | 54 Ų | 54 | 79 Ų | 79 | 28% | 0.283 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.5 | -48.9 | -179.7 | -178.5 | 65.1 | 0 | 0 | 0 | 111.9 | D157 M158 N163 A164 E165 V171 | D157-L161 WeakPolarHBondContact O-CB 3.25Å; D157-L161 PolarHBondContact O-N 3.17Å; M158-L161 HydrophobicContact CE-CD2 4.13Å; L161-N163 VanDerWaalsContact C-N 3.31Å; L161-N163 PolarHBondContact O-N 3.25Å; L161-A164 PolarHBondContact O-N 3.47Å; L161-E165 HydrophobicContact CD1-CG 4.09Å; L161-E165 PolarHBondContact O-N 3.09Å; L161-E165 VanDerWaalsContact O-N 3.11Å; L161-V171 HydrophobicContact CD2-CG2 4.25Å |
| 162 | L | 87.7 | Confident | 79.1 | Confident | 31 Ų | 31 | 80.6 Ų | 80.6 | 16% | 0.162 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.1 | -38.6 | -178 | -177.6 | 61.3 | 0 | 0 | 0 | 112.5 | M158 L160 N166 M168 I186 | M158-L162 WeakPolarHBondContact O-CB 3.37Å; M158-L162 PolarHBondContact O-N 2.91Å; M158-L162 VanDerWaalsContact O-N 3.09Å; L160-L162 PolarHBondContact O-N 3.42Å; L162-N166 PolarHBondContact O-N 3.03Å; L162-M168 HydrophobicContact CD1-CB 3.98Å; L162-M168 HydrophobicContact CD1-CG 4.31Å; L162-I186 HydrophobicContact CD2-CG2 4.12Å |
| 163 | N | 84.6 | Confident | 78.5 | Confident | 71 Ų | 71 | 81 Ų | 81 | 38% | 0.38 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -89.8 | -25 | -177.6 | -70.7 | -83.6 | 0 | 0 | 0 | 113.8 | A159 L160 L161 W190 | A159-N163 WeakPolarHBondContact O-CB 3.38Å; A159-N163 PolarHBondContact O-N 3.13Å; A159-N163 PolarHBondContact O-ND2 3.46Å; L160-N163 PolarHBondContact O-N 2.91Å; L161-N163 VanDerWaalsContact C-N 3.31Å; L161-N163 PolarHBondContact O-N 3.25Å; N163-W190 HydrophobicContact CB-CD2 3.97Å; N163-W190 HydrophobicContact CB-CE3 4.05Å; N163-W190 HydrophobicContact CB-CH2 3.72Å; N163-W190 HydrophobicContact CB-CZ2 3.6Å; N163-W190 HydrophobicContact CB-CZ3 3.94Å; N163-W190 VanDerWaalsContact CG-CD2 3.49Å; N163-W190 PolarHBondContact OD1-NE1 3.28Å; N163-W190 VanDerWaalsContact OD1-NE1 3.14Å |
| 164 | A | 81.6 | Confident | 78 | Confident | 86 Ų | 86 | 80 Ų | 80 | 71% | 0.711 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -79 | -40.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L160 L161 | L160-A164 WeakPolarHBondContact O-CB 3.48Å; L160-A164 PolarHBondContact O-N 3.41Å; L161-A164 PolarHBondContact O-N 3.47Å |
| 165 | E | 67.4 | Low | 77.7 | Confident | 113 Ų | 113 | 78.7 Ų | 78.7 | 53% | 0.528 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -98.1 | -10.7 | -174.9 | -59.4 | -163.6 | 171.1 | 0 | 0 | 113.9 | L161 K167 | L161-E165 HydrophobicContact CD1-CG 4.09Å; L161-E165 PolarHBondContact O-N 3.09Å; L161-E165 VanDerWaalsContact O-N 3.11Å; E165-K167 HydrophobicContact CB-CB 4.43Å; E165-K167 WeakPolarHBondContact O-CG 3.29Å; E165-K167 PolarHBondContact O-N 3.14Å |
| 166 | N | 58.7 | Low | 77.6 | Confident | 150 Ų | 150 | 80.7 Ų | 80.7 | 80% | 0.802 | 45% | 0.447 | S | S | * | . | trans | 52.6 | 25.3 | -175.9 | -159.7 | 19.4 | 0 | 0 | 0 | 113.6 | L162 | L162-N166 PolarHBondContact O-N 3.03Š| ||
| 167 | K | 58.8 | Low | 77.6 | Confident | 141 Ų | 141 | 81.7 Ų | 81.7 | 61% | 0.613 | 46% | 0.461 | S | S | * | . | trans | -118.6 | 84.9 | -175.6 | -80.1 | 178 | 178.1 | 178.7 | 0 | 110.8 | E165 E169 A170 | E165-K167 HydrophobicContact CB-CB 4.43Å; E165-K167 WeakPolarHBondContact O-CG 3.29Å; E165-K167 PolarHBondContact O-N 3.14Å; K167-E169 PolarHBondContact O-N 3.23Å; K167-A170 PolarHBondContact O-N 2.95Å | ||
| 168 | M | 58.6 | Low | 77.6 | Confident | 110 Ų | 110 | 79.6 Ų | 79.6 | 54% | 0.542 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -17.2 | 172.7 | -175 | 176.1 | -74.6 | 0 | 0 | 113.9 | L162 | L162-M168 HydrophobicContact CD1-CB 3.98Å; L162-M168 HydrophobicContact CD1-CG 4.31Å |
| 169 | E | 55.1 | Low | 77.7 | Confident | 193 Ų | 193 | 78 Ų | 78 | 90% | 0.902 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -15.5 | -175.8 | -164 | 155 | -153.6 | 0 | 0 | 114.6 | K167 | K167-E169 PolarHBondContact O-N 3.23Š|
| 170 | A | 59 | Low | 77.7 | Confident | 62 Ų | 62 | 85.1 Ų | 85.1 | 51% | 0.512 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -84.8 | -21.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | K167 | K167-A170 PolarHBondContact O-N 2.95Š|
| 171 | V | 67 | Low | 77.8 | Confident | 6 Ų | 6 | 86.7 Ų | 86.7 | 4% | 0.036 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -86.7 | 128.3 | -177.3 | 176.4 | 0 | 0 | 0 | 0 | 109.8 | M158 L161 R173 | M158-V171 HydrophobicContact SD-CG1 3.96Å; M158-V171 HydrophobicContact SD-CG2 4.27Å; L161-V171 HydrophobicContact CD2-CG2 4.25Å; V171-R173 WeakPolarHBondContact O-CD 3.37Å; V171-R173 WeakPolarHBondContact O-CG 3.32Å; V171-R173 PolarHBondContact O-N 3.47Å; V171-R173 VanDerWaalsContact O-N 3.11Å |
| 172 | P | 69 | Low | 77.9 | Confident | 74 Ų | 74 | 84.4 Ų | 84.4 | 48% | 0.481 | 46% | 0.463 | S | S | . | . | trans | -57.8 | 116.9 | 175.7 | 21.9 | -32.3 | 0 | 0 | 0 | 111.3 | W153 | W153-P172 HydrophobicContact CH2-CB 3.86Å; W153-P172 HydrophobicContact CH2-CG 3.58Å; W153-P172 VanDerWaalsContact CH2-O 3.23Å; W153-P172 WeakPolarHBondContact CH2-O 3.49Å; W153-P172 HydrophobicContact CZ2-CB 3.9Å; W153-P172 HydrophobicContact CZ2-CG 3.48Å; W153-P172 VanDerWaalsContact CZ2-CG 3.48Å; W153-P172 HydrophobicContact CZ3-CG 4.37Å | ||
| 173 | R | 77 | Confident | 78.2 | Confident | 112 Ų | 112 | 85.2 Ų | 85.2 | 42% | 0.423 | 47% | 0.468 | S | S | . | . | trans | -89.9 | 110.1 | -177 | -47.3 | -58.2 | -85.9 | 141 | 5.6 | 110.3 | V171 D183 | V171-R173 WeakPolarHBondContact O-CD 3.37Å; V171-R173 WeakPolarHBondContact O-CG 3.32Å; V171-R173 PolarHBondContact O-N 3.47Å; V171-R173 VanDerWaalsContact O-N 3.11Å; R173-D183 IonicContact CZ-OD1 3.74Å; R173-D183 VanDerWaalsContact CZ-OD1 3.31Å; R173-D183 IonicContact CZ-OD2 2.68Å; R173-D183 IonicContact NH1-OD1 2.71Å; R173-D183 PolarHBondContact NH1-OD1 3.14Å; R173-D183 IonicContact NH1-OD2 3.72Å; R173-D183 IonicContact NH2-OD1 3.28Å; R173-D183 PolarHBondContact NH2-OD1 2.91Å; R173-D183 VanDerWaalsContact NH2-OD1 3.09Å; R173-D183 IonicContact NH2-OD2 3.31Å; R173-D183 PolarHBondContact NH2-OD2 3.25Å | ||
| 174 | V | 81 | Confident | 78.7 | Confident | 33 Ų | 33 | 88.3 Ų | 88.3 | 20% | 0.2 | 47% | 0.474 | C | S | . | . | trans | -73.2 | 136.7 | 170.8 | -169.9 | 0 | 0 | 0 | 0 | 109.2 | F150 W153 L178 G179 I182 | F150-V174 HydrophobicContact CD1-CG2 3.69Å; F150-V174 HydrophobicContact CE1-CB 4.42Å; F150-V174 HydrophobicContact CE1-CG1 4.29Å; F150-V174 HydrophobicContact CE1-CG2 3.3Å; F150-V174 HydrophobicContact CE2-CG1 3.97Å; F150-V174 HydrophobicContact CE2-CG2 4.31Å; F150-V174 HydrophobicContact CG-CG2 4.35Å; F150-V174 HydrophobicContact CZ-CB 4.34Å; F150-V174 HydrophobicContact CZ-CG1 3.72Å; F150-V174 HydrophobicContact CZ-CG2 3.64Å; W153-V174 HydrophobicContact CH2-CG2 3.53Å; W153-V174 HydrophobicContact CZ2-CG2 4.44Å; W153-V174 HydrophobicContact CZ3-CG2 3.9Å; V174-L178 HydrophobicContact CG1-CB 4.3Å; V174-L178 HydrophobicContact CG1-CD2 4.13Å; V174-L178 HydrophobicContact CG1-CG 4.07Å; V174-G179 WeakPolarHBondContact O-CA 3.31Å; V174-I182 HydrophobicContact CB-CD1 4.12Å; V174-I182 HydrophobicContact CG1-CD1 4.42Å; V174-I182 HydrophobicContact CG2-CD1 3.68Å | ||
| 175 | G | 84.4 | Confident | 79.3 | Confident | 60 Ų | 60 | 85.6 Ų | 85.6 | 62% | 0.619 | 45% | 0.448 | S | S | * | . | trans | -78.2 | 165.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | G179 | G175-G179 PolarHBondContact O-N 2.87Š| ||
| 176 | G | 89.8 | Confident | 80.6 | Confident | 58 Ų | 58 | 80.5 Ų | 80.5 | 60% | 0.598 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | 68.6 | -150.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | G179 K180 | G176-G179 PolarHBondContact O-N 2.89Å; G176-K180 PolarHBondContact O-N 3.24Å |
| 177 | L | 92.4 | Very high | 82.3 | Confident | 146 Ų | 146 | 78.1 Ų | 78.1 | 76% | 0.764 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -68 | -37.9 | -176.6 | -64.6 | 177.7 | 0 | 0 | 0 | 112.6 | G179 K180 Y181 | L177-G179 VanDerWaalsContact C-N 3.32Å; L177-G179 PolarHBondContact O-N 3.34Å; L177-K180 PolarHBondContact O-N 2.74Å; L177-Y181 PolarHBondContact O-N 2.89Å |
| 178 | L | 91.7 | Very high | 84.1 | Confident | 54 Ų | 54 | 75.2 Ų | 75.2 | 28% | 0.283 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 176.3 | -178.9 | 57.9 | 0 | 0 | 0 | 111.4 | P147 F150 V174 K180 Y181 I182 | P147-L178 HydrophobicContact CG-CD1 3.95Å; P147-L178 HydrophobicContact CG-CD2 3.81Å; F150-L178 HydrophobicContact CD2-CD2 3.73Å; F150-L178 HydrophobicContact CE2-CD2 3.65Å; V174-L178 HydrophobicContact CG1-CB 4.3Å; V174-L178 HydrophobicContact CG1-CD2 4.13Å; V174-L178 HydrophobicContact CG1-CG 4.07Å; L178-K180 PolarHBondContact O-N 3.4Å; L178-Y181 HydrophobicContact CD1-CD1 4.27Å; L178-Y181 PolarHBondContact O-N 3.17Å; L178-I182 HydrophobicContact CD1-CD1 4.03Å; L178-I182 HydrophobicContact CD1-CG1 4.29Å; L178-I182 HydrophobicContact CG-CD1 3.91Å; L178-I182 WeakPolarHBondContact O-CG1 3.41Å; L178-I182 PolarHBondContact O-N 3.08Å |
| 179 | G | 92.3 | Very high | 85.8 | Confident | 6 Ų | 6 | 71.2 Ų | 71.2 | 6% | 0.062 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -55.5 | -48.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V174 G175 G176 L177 Y181 I182 D183 | V174-G179 WeakPolarHBondContact O-CA 3.31Å; G175-G179 PolarHBondContact O-N 2.87Å; G176-G179 PolarHBondContact O-N 2.89Å; L177-G179 VanDerWaalsContact C-N 3.32Å; L177-G179 PolarHBondContact O-N 3.34Å; G179-Y181 VanDerWaalsContact C-N 3.3Å; G179-Y181 PolarHBondContact O-N 3.26Å; G179-I182 PolarHBondContact O-N 3.45Å; G179-D183 WeakPolarHBondContact O-CB 3.49Å; G179-D183 PolarHBondContact O-N 3.3Å |
| 180 | K | 93.4 | Very high | 87.7 | Confident | 150 Ų | 150 | 65.3 Ų | 65.3 | 65% | 0.652 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63 | -34.4 | 177.1 | -65.6 | 178.9 | -178.9 | -176.8 | 0 | 112.9 | G176 L177 L178 R184 | G176-K180 PolarHBondContact O-N 3.24Å; L177-K180 PolarHBondContact O-N 2.74Å; L178-K180 PolarHBondContact O-N 3.4Å; K180-R184 VanDerWaalsContact O-CB 3.32Å; K180-R184 WeakPolarHBondContact O-CB 3.43Å; K180-R184 PolarHBondContact O-N 3.02Å; K180-R184 VanDerWaalsContact O-N 3.09Å |
| 181 | Y | 93.8 | Very high | 89.5 | Confident | 110 Ų | 110 | 67 Ų | 67 | 43% | 0.431 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.2 | -47.7 | 175.2 | 178.8 | -118.1 | 0 | 0 | 0 | 111.5 | L146 L177 L178 G179 R184 L185 | L146-Y181 HydrophobicContact CD2-CD1 4.24Å; L146-Y181 HydrophobicContact CD2-CE1 4.05Å; L177-Y181 PolarHBondContact O-N 2.89Å; L178-Y181 HydrophobicContact CD1-CD1 4.27Å; L178-Y181 PolarHBondContact O-N 3.17Å; G179-Y181 VanDerWaalsContact C-N 3.3Å; G179-Y181 PolarHBondContact O-N 3.26Å; Y181-R184 PolarHBondContact O-N 3.49Å; Y181-R184 VanDerWaalsContact O-N 3.17Å; Y181-L185 HydrophobicContact CD1-CD1 3.91Å; Y181-L185 HydrophobicContact CE1-CD1 3.52Å; Y181-L185 HydrophobicContact CE1-CG 4.42Å; Y181-L185 HydrophobicContact CE2-CD1 4.17Å; Y181-L185 HydrophobicContact CE2-CD2 4.38Å; Y181-L185 HydrophobicContact CE2-CG 4.22Å; Y181-L185 HydrophobicContact CG-CD1 4.41Å; Y181-L185 WeakPolarHBondContact O-CG 3.25Å; Y181-L185 PolarHBondContact O-N 3.48Å |
| 182 | I | 93.8 | Very high | 90.9 | Very high | 6 Ų | 6 | 71.3 Ų | 71.3 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 177.2 | -67.1 | 165 | 0 | 0 | 0 | 111.2 | L146 F150 W153 V174 L178 G179 R184 L185 I186 | L146-I182 HydrophobicContact CD1-CG1 4.43Å; L146-I182 HydrophobicContact CD2-CD1 4.32Å; L146-I182 HydrophobicContact CD2-CG1 3.67Å; F150-I182 HydrophobicContact CB-CD1 4.24Å; F150-I182 HydrophobicContact CD1-CD1 4.5Å; F150-I182 HydrophobicContact CD2-CD1 4.43Å; F150-I182 HydrophobicContact CG-CD1 4.11Å; W153-I182 HydrophobicContact CE3-CG2 4.18Å; W153-I182 HydrophobicContact CZ3-CG2 4.03Å; V174-I182 HydrophobicContact CB-CD1 4.12Å; V174-I182 HydrophobicContact CG1-CD1 4.42Å; V174-I182 HydrophobicContact CG2-CD1 3.68Å; L178-I182 HydrophobicContact CD1-CD1 4.03Å; L178-I182 HydrophobicContact CD1-CG1 4.29Å; L178-I182 HydrophobicContact CG-CD1 3.91Å; L178-I182 WeakPolarHBondContact O-CG1 3.41Å; L178-I182 PolarHBondContact O-N 3.08Å; G179-I182 PolarHBondContact O-N 3.45Å; I182-R184 PolarHBondContact O-N 2.63Å; I182-L185 PolarHBondContact O-N 3.25Å; I182-L185 VanDerWaalsContact O-N 3.12Å; I182-I186 HydrophobicContact CG2-CD1 3.85Å; I182-I186 HydrophobicContact CG2-CG1 4.45Å; I182-I186 WeakPolarHBondContact O-CG1 3.49Å; I182-I186 PolarHBondContact O-N 3.42Å |
| 183 | D | 92.4 | Very high | 92.1 | Very high | 48 Ų | 48 | 69.3 Ų | 69.3 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.6 | -38.1 | 174 | -90.5 | -17.2 | 0 | 0 | 0 | 111.6 | R173 G179 Q187 | R173-D183 IonicContact CZ-OD1 3.74Å; R173-D183 VanDerWaalsContact CZ-OD1 3.31Å; R173-D183 IonicContact CZ-OD2 2.68Å; R173-D183 IonicContact NH1-OD1 2.71Å; R173-D183 PolarHBondContact NH1-OD1 3.14Å; R173-D183 IonicContact NH1-OD2 3.72Å; R173-D183 IonicContact NH2-OD1 3.28Å; R173-D183 PolarHBondContact NH2-OD1 2.91Å; R173-D183 VanDerWaalsContact NH2-OD1 3.09Å; R173-D183 IonicContact NH2-OD2 3.31Å; R173-D183 PolarHBondContact NH2-OD2 3.25Å; G179-D183 WeakPolarHBondContact O-CB 3.49Å; G179-D183 PolarHBondContact O-N 3.3Å; D183-Q187 VanDerWaalsContact O-CG 3.25Å; D183-Q187 WeakPolarHBondContact O-CG 3.36Å; D183-Q187 PolarHBondContact O-N 2.93Å; D183-Q187 VanDerWaalsContact O-N 3.13Å |
| 184 | R | 95.3 | Very high | 92.9 | Very high | 137 Ų | 137 | 68 Ų | 68 | 52% | 0.517 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71.6 | -37.5 | 177.1 | -176.5 | 55 | 177.7 | 175 | 2.3 | 112.6 | K180 Y181 I182 Q187 L188 | K180-R184 VanDerWaalsContact O-CB 3.32Å; K180-R184 WeakPolarHBondContact O-CB 3.43Å; K180-R184 PolarHBondContact O-N 3.02Å; K180-R184 VanDerWaalsContact O-N 3.09Å; Y181-R184 PolarHBondContact O-N 3.49Å; Y181-R184 VanDerWaalsContact O-N 3.17Å; I182-R184 PolarHBondContact O-N 2.63Å; R184-Q187 WeakPolarHBondContact O-CB 3.37Å; R184-Q187 PolarHBondContact O-N 2.88Å; R184-L188 HydrophobicContact CG-CD1 4.3Å; R184-L188 VanDerWaalsContact O-CG 3.31Å; R184-L188 WeakPolarHBondContact O-CG 3.47Å; R184-L188 PolarHBondContact O-N 3.4Å; R184-L188 VanDerWaalsContact O-N 3.14Å |
| 185 | L | 94.8 | Very high | 93.6 | Very high | 29 Ų | 29 | 69.4 Ų | 69.4 | 15% | 0.152 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 174.3 | -73.2 | 169.9 | 0 | 0 | 0 | 111.5 | F145 L146 L155 Y181 I182 Q187 L188 E189 | F145-L185 HydrophobicContact CD2-CD1 3.77Å; F145-L185 HydrophobicContact CE2-CD1 3.86Å; L146-L185 HydrophobicContact CD2-CD1 3.75Å; L155-L185 HydrophobicContact CD1-CB 3.84Å; L155-L185 HydrophobicContact CD2-CB 3.97Å; Y181-L185 HydrophobicContact CD1-CD1 3.91Å; Y181-L185 HydrophobicContact CE1-CD1 3.52Å; Y181-L185 HydrophobicContact CE1-CG 4.42Å; Y181-L185 HydrophobicContact CE2-CD1 4.17Å; Y181-L185 HydrophobicContact CE2-CD2 4.38Å; Y181-L185 HydrophobicContact CE2-CG 4.22Å; Y181-L185 HydrophobicContact CG-CD1 4.41Å; Y181-L185 WeakPolarHBondContact O-CG 3.25Å; Y181-L185 PolarHBondContact O-N 3.48Å; I182-L185 PolarHBondContact O-N 3.25Å; I182-L185 VanDerWaalsContact O-N 3.12Å; L185-Q187 VanDerWaalsContact C-N 3.32Å; L185-Q187 PolarHBondContact O-N 3.37Å; L185-L188 PolarHBondContact O-N 3.16Å; L185-L188 VanDerWaalsContact O-N 3.08Å; L185-E189 PolarHBondContact O-N 3.41Å |
| 186 | I | 93.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 176.5 | -65.4 | 167.9 | 0 | 0 | 0 | 111.2 | L155 M158 A159 L162 I182 L188 W190 | L155-I186 HydrophobicContact CD2-CG1 3.9Å; M158-I186 HydrophobicContact CB-CD1 4.05Å; M158-I186 HydrophobicContact CB-CG1 4.26Å; A159-I186 HydrophobicContact CB-CG2 4.09Å; L162-I186 HydrophobicContact CD2-CG2 4.12Å; I182-I186 HydrophobicContact CG2-CD1 3.85Å; I182-I186 HydrophobicContact CG2-CG1 4.45Å; I182-I186 WeakPolarHBondContact O-CG1 3.49Å; I182-I186 PolarHBondContact O-N 3.42Å; I186-L188 VanDerWaalsContact C-N 3.33Å; I186-L188 PolarHBondContact O-N 2.88Å; I186-W190 WeakPolarHBondContact O-CB 3.36Å; I186-W190 PolarHBondContact O-N 3.34Å |
| 187 | Q | 95.1 | Very high | 94.2 | Very high | 101 Ų | 101 | 72.3 Ų | 72.3 | 47% | 0.472 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 173 | -71.8 | 164 | 23.3 | 0 | 0 | 113.1 | D183 R184 L185 L191 | D183-Q187 VanDerWaalsContact O-CG 3.25Å; D183-Q187 WeakPolarHBondContact O-CG 3.36Å; D183-Q187 PolarHBondContact O-N 2.93Å; D183-Q187 VanDerWaalsContact O-N 3.13Å; R184-Q187 WeakPolarHBondContact O-CB 3.37Å; R184-Q187 PolarHBondContact O-N 2.88Å; L185-Q187 VanDerWaalsContact C-N 3.32Å; L185-Q187 PolarHBondContact O-N 3.37Å; Q187-L191 PolarHBondContact O-N 3.25Å; Q187-L191 VanDerWaalsContact O-N 3.09Å |
| 188 | L | 95.9 | Very high | 94 | Very high | 80 Ų | 80 | 68.9 Ų | 68.9 | 42% | 0.419 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -73.7 | -42.6 | -178.4 | -70.1 | 168.7 | 0 | 0 | 0 | 111.6 | R184 L185 I186 W190 L191 Q192 | R184-L188 HydrophobicContact CG-CD1 4.3Å; R184-L188 VanDerWaalsContact O-CG 3.31Å; R184-L188 WeakPolarHBondContact O-CG 3.47Å; R184-L188 PolarHBondContact O-N 3.4Å; R184-L188 VanDerWaalsContact O-N 3.14Å; L185-L188 PolarHBondContact O-N 3.16Å; L185-L188 VanDerWaalsContact O-N 3.08Å; I186-L188 VanDerWaalsContact C-N 3.33Å; I186-L188 PolarHBondContact O-N 2.88Å; L188-W190 VanDerWaalsContact C-N 3.33Å; L188-W190 PolarHBondContact O-N 3.46Å; L188-L191 PolarHBondContact O-N 3Å; L188-Q192 WeakPolarHBondContact O-CB 3.41Å; L188-Q192 PolarHBondContact O-N 3.04Å |
| 189 | E | 95.1 | Very high | 94 | Very high | 26 Ų | 26 | 72 Ų | 72 | 12% | 0.121 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 174.9 | -168.1 | 64.3 | -146.8 | 0 | 0 | 111.1 | L155 R156 A159 L185 Q192 V193 | L155-E189 HydrophobicContact CB-CB 4.19Å; L155-E189 HydrophobicContact CB-CG 4.24Å; R156-E189 HydrophobicContact CB-CG 4.48Å; R156-E189 HydrophobicContact CG-CG 3.62Å; R156-E189 WeakPolarHBondContact CG-OE1 3.38Å; R156-E189 IonicContact CZ-OE1 3.02Å; R156-E189 VanDerWaalsContact CZ-OE1 3.32Å; R156-E189 IonicContact NE-OE1 3.73Å; R156-E189 PolarHBondContact NE-OE1 3.23Å; R156-E189 IonicContact NH2-OE1 2.82Å; R156-E189 PolarHBondContact NH2-OE1 3.41Å; A159-E189 HydrophobicContact CB-CB 4.48Å; L185-E189 PolarHBondContact O-N 3.41Å; E189-Q192 WeakPolarHBondContact O-CB 3.5Å; E189-Q192 PolarHBondContact O-N 3.4Å; E189-V193 WeakPolarHBondContact O-CG2 3.29Å; E189-V193 PolarHBondContact O-N 3.3Å |
| 190 | W | 95.7 | Very high | 93.6 | Very high | 69 Ų | 69 | 78.6 Ų | 78.6 | 26% | 0.261 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 172.1 | 177.9 | -122.8 | 0 | 0 | 0 | 112.5 | A159 L160 N163 I186 L188 Q192 V193 Q194 | A159-W190 HydrophobicContact CB-CB 4.06Å; L160-W190 HydrophobicContact CD2-CZ3 4.32Å; N163-W190 HydrophobicContact CB-CD2 3.97Å; N163-W190 HydrophobicContact CB-CE3 4.05Å; N163-W190 HydrophobicContact CB-CH2 3.72Å; N163-W190 HydrophobicContact CB-CZ2 3.6Å; N163-W190 HydrophobicContact CB-CZ3 3.94Å; N163-W190 VanDerWaalsContact CG-CD2 3.49Å; N163-W190 PolarHBondContact OD1-NE1 3.28Å; N163-W190 VanDerWaalsContact OD1-NE1 3.14Å; I186-W190 WeakPolarHBondContact O-CB 3.36Å; I186-W190 PolarHBondContact O-N 3.34Å; L188-W190 VanDerWaalsContact C-N 3.33Å; L188-W190 PolarHBondContact O-N 3.46Å; W190-Q192 VanDerWaalsContact C-N 3.28Å; W190-Q192 PolarHBondContact O-N 3.39Å; W190-V193 HydrophobicContact CE3-CB 4.45Å; W190-V193 HydrophobicContact CE3-CG1 4.37Å; W190-V193 HydrophobicContact CZ3-CG1 4.27Å; W190-V193 PolarHBondContact O-N 2.81Å; W190-Q194 HydrophobicContact CD2-CG 4.18Å; W190-Q194 HydrophobicContact CH2-CG 4.45Å; W190-Q194 HydrophobicContact CZ2-CG 3.97Å; W190-Q194 WeakPolarHBondContact O-CG 3.43Å; W190-Q194 PolarHBondContact O-N 3.02Å |
| 191 | L | 95.8 | Very high | 92.7 | Very high | 96 Ų | 96 | 74.7 Ų | 74.7 | 50% | 0.503 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63 | -35.3 | 176.5 | -179.1 | 62 | 0 | 0 | 0 | 112 | Q187 L188 T195 | Q187-L191 PolarHBondContact O-N 3.25Å; Q187-L191 VanDerWaalsContact O-N 3.09Å; L188-L191 PolarHBondContact O-N 3Å; L191-T195 WeakPolarHBondContact O-CB 3.49Å; L191-T195 PolarHBondContact O-N 3.48Å; L191-T195 PolarHBondContact O-OG1 3.15Å |
| 192 | Q | 96.3 | Very high | 91.3 | Very high | 97 Ų | 97 | 77.1 Ų | 77.1 | 45% | 0.453 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.7 | -46 | 173.5 | 178.5 | 167.8 | -40.7 | 0 | 0 | 111.5 | L188 E189 W190 Q194 T195 V196 | L188-Q192 WeakPolarHBondContact O-CB 3.41Å; L188-Q192 PolarHBondContact O-N 3.04Å; E189-Q192 WeakPolarHBondContact O-CB 3.5Å; E189-Q192 PolarHBondContact O-N 3.4Å; W190-Q192 VanDerWaalsContact C-N 3.28Å; W190-Q192 PolarHBondContact O-N 3.39Å; Q192-Q194 PolarHBondContact O-N 2.6Å; Q192-T195 PolarHBondContact O-N 3.42Å; Q192-V196 WeakPolarHBondContact O-CG2 3.38Å; Q192-V196 PolarHBondContact O-N 3.18Å |
| 193 | V | 94.4 | Very high | 89.6 | Confident | 32 Ų | 32 | 79.3 Ų | 79.3 | 19% | 0.194 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.1 | -47.2 | 173.9 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | L160 E189 W190 T195 V196 Q197 | L160-V193 HydrophobicContact CD2-CG1 4.36Å; E189-V193 WeakPolarHBondContact O-CG2 3.29Å; E189-V193 PolarHBondContact O-N 3.3Å; W190-V193 HydrophobicContact CE3-CB 4.45Å; W190-V193 HydrophobicContact CE3-CG1 4.37Å; W190-V193 HydrophobicContact CZ3-CG1 4.27Å; W190-V193 PolarHBondContact O-N 2.81Å; V193-T195 PolarHBondContact O-N 3.38Å; V193-V196 PolarHBondContact O-N 3.4Å; V193-Q197 VanDerWaalsContact O-CG 3.29Å; V193-Q197 WeakPolarHBondContact O-CG 3.37Å; V193-Q197 PolarHBondContact O-N 2.93Å; V193-Q197 VanDerWaalsContact O-N 3.08Å |
| 194 | Q | 94.6 | Very high | 87.8 | Confident | 86 Ų | 86 | 80.7 Ų | 80.7 | 40% | 0.402 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 175.2 | -72.3 | -173.9 | -34.5 | 0 | 0 | 112.1 | W190 Q192 V196 Q197 C198 | W190-Q194 HydrophobicContact CD2-CG 4.18Å; W190-Q194 HydrophobicContact CH2-CG 4.45Å; W190-Q194 HydrophobicContact CZ2-CG 3.97Å; W190-Q194 WeakPolarHBondContact O-CG 3.43Å; W190-Q194 PolarHBondContact O-N 3.02Å; Q192-Q194 PolarHBondContact O-N 2.6Å; Q194-V196 PolarHBondContact O-N 3.23Å; Q194-Q197 PolarHBondContact O-N 3Å; Q194-C198 PolarHBondContact O-N 3.42Å; Q194-C198 PolarHBondContact O-SG 3.06Å; Q194-C198 VanDerWaalsContact O-SG 3.37Å |
| 195 | T | 96 | Very high | 85.9 | Confident | 61 Ų | 61 | 83.5 Ų | 83.5 | 37% | 0.374 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.8 | -49.8 | 179.2 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | L191 Q192 V193 Q197 C198 E199 | L191-T195 WeakPolarHBondContact O-CB 3.49Å; L191-T195 PolarHBondContact O-N 3.48Å; L191-T195 PolarHBondContact O-OG1 3.15Å; Q192-T195 PolarHBondContact O-N 3.42Å; V193-T195 PolarHBondContact O-N 3.38Å; T195-Q197 VanDerWaalsContact C-N 3.3Å; T195-Q197 PolarHBondContact O-N 3.38Å; T195-C198 WeakPolarHBondContact O-CB 3.31Å; T195-C198 PolarHBondContact O-N 3.23Å; T195-C198 VanDerWaalsContact O-N 3.14Å; T195-E199 WeakPolarHBondContact O-CG 2.96Å; T195-E199 PolarHBondContact O-N 3.31Å |
| 196 | V | 94.6 | Very high | 83.9 | Confident | 60 Ų | 60 | 86.1 Ų | 86.1 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.1 | -37.6 | 178.8 | 170.9 | 0 | 0 | 0 | 0 | 111.8 | Q192 V193 Q194 K200 | Q192-V196 WeakPolarHBondContact O-CG2 3.38Å; Q192-V196 PolarHBondContact O-N 3.18Å; V193-V196 PolarHBondContact O-N 3.4Å; Q194-V196 PolarHBondContact O-N 3.23Å; V196-K200 HydrophobicContact CG1-CD 4.39Å; V196-K200 WeakPolarHBondContact O-CB 3.26Å; V196-K200 WeakPolarHBondContact O-CG 3.48Å; V196-K200 PolarHBondContact O-N 2.71Å |
| 197 | Q | 91.1 | Very high | 81.5 | Confident | 120 Ų | 120 | 95.5 Ų | 95.5 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.5 | -41.4 | 175.2 | -64.6 | -67.6 | 7.5 | 0 | 0 | 111.9 | V193 Q194 T195 E199 K200 A201 | V193-Q197 VanDerWaalsContact O-CG 3.29Å; V193-Q197 WeakPolarHBondContact O-CG 3.37Å; V193-Q197 PolarHBondContact O-N 2.93Å; V193-Q197 VanDerWaalsContact O-N 3.08Å; Q194-Q197 PolarHBondContact O-N 3Å; T195-Q197 VanDerWaalsContact C-N 3.3Å; T195-Q197 PolarHBondContact O-N 3.38Å; Q197-E199 VanDerWaalsContact C-N 3.33Å; Q197-E199 PolarHBondContact O-N 3.28Å; Q197-K200 PolarHBondContact O-N 3.33Å; Q197-A201 WeakPolarHBondContact O-CB 3.37Å; Q197-A201 PolarHBondContact O-N 2.98Å |
| 198 | C | 88.9 | Confident | 79 | Confident | 73 Ų | 73 | 95.9 Ų | 95.9 | 49% | 0.493 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 174.6 | -72.6 | 0 | 0 | 0 | 0 | 112.7 | Q194 T195 K202 | Q194-C198 PolarHBondContact O-N 3.42Å; Q194-C198 PolarHBondContact O-SG 3.06Å; Q194-C198 VanDerWaalsContact O-SG 3.37Å; T195-C198 WeakPolarHBondContact O-CB 3.31Å; T195-C198 PolarHBondContact O-N 3.23Å; T195-C198 VanDerWaalsContact O-N 3.14Å; C198-K202 WeakPolarHBondContact O-CB 3.46Å; C198-K202 VanDerWaalsContact O-CG 3.26Å; C198-K202 WeakPolarHBondContact O-CG 3.39Å; C198-K202 PolarHBondContact O-N 2.71Å |
| 199 | E | 90.5 | Very high | 76.7 | Confident | 120 Ų | 120 | 99.8 Ų | 99.8 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68 | -45.8 | 175.2 | -73.7 | 178 | 170.5 | 0 | 0 | 112 | T195 Q197 A201 K202 G203 | T195-E199 WeakPolarHBondContact O-CG 2.96Å; T195-E199 PolarHBondContact O-N 3.31Å; Q197-E199 VanDerWaalsContact C-N 3.33Å; Q197-E199 PolarHBondContact O-N 3.28Å; E199-A201 VanDerWaalsContact C-N 3.32Å; E199-A201 PolarHBondContact O-N 2.93Å; E199-K202 PolarHBondContact O-N 2.99Å; E199-K202 VanDerWaalsContact O-N 3.16Å; E199-G203 PolarHBondContact O-N 3.4Å |
| 200 | K | 84.7 | Confident | 73.9 | Confident | 145 Ų | 145 | 104.5 Ų | 104.5 | 63% | 0.63 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59.7 | -41.7 | 174.3 | -75.8 | -179 | 177 | -177 | 0 | 112 | V196 Q197 G203 A204 | V196-K200 HydrophobicContact CG1-CD 4.39Å; V196-K200 WeakPolarHBondContact O-CB 3.26Å; V196-K200 WeakPolarHBondContact O-CG 3.48Å; V196-K200 PolarHBondContact O-N 2.71Å; Q197-K200 PolarHBondContact O-N 3.33Å; K200-G203 PolarHBondContact O-N 3.02Å; K200-A204 PolarHBondContact O-N 3.25Å |
| 201 | A | 73.8 | Confident | 71.3 | Confident | 68 Ų | 68 | 105.2 Ų | 105.2 | 56% | 0.562 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.6 | -37.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q197 E199 | Q197-A201 WeakPolarHBondContact O-CB 3.37Å; Q197-A201 PolarHBondContact O-N 2.98Å; E199-A201 VanDerWaalsContact C-N 3.32Å; E199-A201 PolarHBondContact O-N 2.93Å |
| 202 | K | 64.6 | Low | 68.8 | Low | 161 Ų | 161 | 107 Ų | 107 | 70% | 0.7 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.8 | -44.9 | 174.2 | -76.1 | 168.8 | -179.9 | 176 | 0 | 111.8 | C198 E199 A204 K205 | C198-K202 WeakPolarHBondContact O-CB 3.46Å; C198-K202 VanDerWaalsContact O-CG 3.26Å; C198-K202 WeakPolarHBondContact O-CG 3.39Å; C198-K202 PolarHBondContact O-N 2.71Å; E199-K202 PolarHBondContact O-N 2.99Å; E199-K202 VanDerWaalsContact O-N 3.16Å; K202-A204 VanDerWaalsContact C-N 3.31Å; K202-A204 PolarHBondContact O-N 3.18Å; K202-K205 PolarHBondContact O-N 2.71Å |
| 203 | G | 57.5 | Low | 66.2 | Low | 51 Ų | 51 | 105.4 Ų | 105.4 | 53% | 0.526 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.3 | -34.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E199 K200 K205 A206 | E199-G203 PolarHBondContact O-N 3.4Å; K200-G203 PolarHBondContact O-N 3.02Å; G203-K205 PolarHBondContact O-N 2.82Å; G203-A206 PolarHBondContact O-N 3.18Å |
| 204 | A | 55.4 | Low | 63.8 | Low | 77 Ų | 77 | 110.3 Ų | 110.3 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -63.1 | -24.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K200 K202 A206 | K200-A204 PolarHBondContact O-N 3.25Å; K202-A204 VanDerWaalsContact C-N 3.31Å; K202-A204 PolarHBondContact O-N 3.18Å; A204-A206 PolarHBondContact O-N 3.08Å |
| 205 | K | 55.3 | Low | 61.6 | Low | 197 Ų | 197 | 112.3 Ų | 112.3 | 86% | 0.857 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 1.9 | -178 | -154.4 | 163.7 | -175.5 | 172.6 | 0 | 114 | K202 G203 | K202-K205 PolarHBondContact O-N 2.71Å; G203-K205 PolarHBondContact O-N 2.82Å |
| 206 | A | 52.1 | Low | 58.9 | Low | 83 Ų | 83 | 113.4 Ų | 113.4 | 69% | 0.686 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | 13.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G203 A204 | G203-A206 PolarHBondContact O-N 3.18Å; A204-A206 PolarHBondContact O-N 3.08Å |
| 207 | R | 44.1 | Very low | 56.3 | Low | 202 Ų | 202 | 115.5 Ų | 115.5 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | trans | -120.6 | 96.9 | 173.4 | -173.4 | -177 | -69.6 | 171.7 | -2.1 | 111.8 | L209 | R207-L209 PolarHBondContact O-N 2.94Š| ||
| 208 | P | 43 | Very low | 54.5 | Low | 109 Ų | 109 | 118.2 Ų | 118.2 | 71% | 0.708 | 73% | 0.73 | S | S | * | * | trans | -64.9 | 118.2 | 163.7 | -14.9 | 29.8 | 0 | 0 | 0 | 109.3 | T210 | P208-T210 PolarHBondContact O-N 3.1Š| ||
| 209 | L | 47.8 | Very low | 52.7 | Low | 163 Ų | 163 | 124.7 Ų | 124.7 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | trans | -85.3 | 98.8 | 163.5 | -72.9 | 174.2 | 0 | 0 | 0 | 107.9 | R207 | R207-L209 PolarHBondContact O-N 2.94Š| ||
| 210 | T | 36 | Very low | 50.8 | Low | 124 Ų | 124 | 124.4 Ų | 124.4 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | trans | -121.5 | 136 | 173.1 | -55.4 | 0 | 0 | 0 | 0 | 105.9 | P208 | P208-T210 PolarHBondContact O-N 3.1Š| ||
| 211 | A | 40.4 | Very low | 49.4 | Very low | 85 Ų | 85 | 124.1 Ų | 124.1 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | cis | -133.7 | -168.8 | 16.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 212 | P | 44.7 | Very low | 47.8 | Very low | 132 Ų | 132 | 124.1 Ų | 124.1 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | S | Bend | cis | -115.1 | 152.8 | 24.9 | 39.6 | -29 | 0 | 0 | 0 | 115.8 | ||
| 213 | G | 40.5 | Very low | 47.2 | Very low | 64 Ų | 64 | 128.1 Ų | 128.1 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | trans | 121.2 | 100.3 | 156.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 214 | T | 44.1 | Very low | 46.6 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | trans | 55.3 | 119.2 | 143.6 | 60 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 215 | S | 48.7 | Very low | 46.6 | Very low | 128 Ų | 128 | 136 Ų | 136 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | trans | 68.5 | 104.4 | 131.4 | -53.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 216 | G | 39.1 | Very low | 46.2 | Very low | 84 Ų | 84 | 133.6 Ų | 133.6 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | -170.6 | 127.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 217 | A | 40.9 | Very low | 46 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | -90.7 | 150.8 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 218 | L | 51.9 | Low | 45.7 | Very low | 176 Ų | 176 | 132.5 Ų | 132.5 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -57.7 | 129.7 | 176.6 | -61.6 | 165.2 | 0 | 0 | 0 | 113 | ||||
| 219 | K | 52.4 | Low | 45.3 | Very low | 209 Ų | 209 | 132.9 Ų | 132.9 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -144.7 | 121.3 | 150.8 | -68.6 | -162.5 | 177.8 | -173.6 | 0 | 111.1 | ||||
| 220 | S | 50.2 | Low | 44.8 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | -97.5 | 134.8 | 174 | 45.9 | 0 | 0 | 0 | 0 | 110.9 | G222 | S220-G222 PolarHBondContact O-N 3.12Š| ||
| 221 | P | 55.9 | Low | 44.9 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | trans | -69.3 | 95.2 | 173.9 | -23.1 | 35.8 | 0 | 0 | 0 | 112.3 | ||||
| 222 | G | 38.9 | Very low | 44.6 | Very low | 68 Ų | 68 | 133 Ų | 133 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | trans | -75.9 | 156.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S220 | S220-G222 PolarHBondContact O-N 3.12Š| ||
| 223 | R | 52.6 | Low | 44.4 | Very low | 245 Ų | 245 | 136.1 Ų | 136.1 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | trans | -63.3 | 140.9 | 179.5 | -60.2 | 157.1 | 82.8 | -178 | 10.7 | 111.3 | ||||
| 224 | S | 44.7 | Very low | 44.8 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | trans | -128.5 | 165.2 | 159.9 | -166.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 225 | K | 55.3 | Low | 44.2 | Very low | 172 Ų | 172 | 139.5 Ų | 139.5 | 75% | 0.748 | 83% | 0.832 | S | S | * | * | trans | -139.6 | -179.9 | -171.3 | -83.7 | -167 | 174 | -170.9 | 0 | 110.7 | ||||
| 226 | L | 46.7 | Very low | 44.4 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 78% | 0.775 | 82% | 0.822 | S | S | * | * | trans | 81.7 | 147.8 | 161.3 | -44.7 | -178 | 0 | 0 | 0 | 114.1 | ||||
| 227 | I | 47.3 | Very low | 43.9 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 82% | 0.815 | 82% | 0.815 | S | S | * | * | cis | -156.7 | 171.1 | -15.1 | 27.9 | -174.5 | 0 | 0 | 0 | 108.5 | ||||
| 228 | A | 38.9 | Very low | 43.6 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -113 | 141.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 229 | S | 34.4 | Very low | 42.5 | Very low | 118 Ų | 118 | 143 Ų | 143 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -173.7 | 132.1 | 161.4 | -165.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 230 | A | 36.8 | Very low | 41.6 | Very low | 90 Ų | 90 | 136.3 Ų | 136.3 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | cis | 121 | 119 | 15.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 231 | L | 38.4 | Very low | 40.8 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | 49.4 | 120.3 | 158.1 | -144.6 | 63.6 | 0 | 0 | 0 | 118.8 | ||||
| 232 | S | 35 | Very low | 39.8 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | 178.2 | -173.8 | 80.1 | 48.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 233 | K | 38.9 | Very low | 39.9 | Very low | 199 Ų | 199 | 140.5 Ų | 140.5 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | trans | -151.4 | 174.3 | -173.6 | -103.5 | -179.3 | -178 | 178.5 | 0 | 108 | ||||
| 234 | P | 48.8 | Very low | 39.1 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | cis | -140.1 | 164.3 | -11.7 | 38.9 | -20.9 | 0 | 0 | 0 | 117.3 | ||||
| 235 | L | 33.2 | Very low | 38.7 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | 54.4 | 178.7 | 148.4 | -106.2 | 63.9 | 0 | 0 | 0 | 120.2 | ||||
| 236 | P | 52.5 | Low | 38.1 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | cis | -131.9 | -175.8 | -25.1 | 33.8 | -14.1 | 0 | 0 | 0 | 115.3 | ||||
| 237 | H | 28.8 | Very low | 37.6 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | 93.6 | 125.1 | 138.7 | -140.5 | -120.4 | 0 | 0 | 0 | 122.6 | ||||
| 238 | Q | 34.5 | Very low | 37.3 | Very low | 144 Ų | 144 | 133.7 Ų | 133.7 | 67% | 0.673 | 80% | 0.8 | S | S | * | * | trans | 57.6 | 166.1 | 148.9 | -86.3 | -172.8 | -29.8 | 0 | 0 | 120.5 | ||||
| 239 | E | 29.3 | Very low | 37.5 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 77% | 0.771 | 80% | 0.804 | S | S | * | * | cis | -145.4 | -174.1 | -30 | -172.4 | 150.2 | 143 | 0 | 0 | 107 | ||||
| 240 | G | 31.9 | Very low | 38 | Very low | 68 Ų | 68 | 142 Ų | 142 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -66.3 | -174.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 241 | A | 34.1 | Very low | 37.8 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | cis | -160.4 | -167.8 | 14.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 242 | S | 35.7 | Very low | 37.5 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 102.9 | 88.2 | 157.6 | -55.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 243 | K | 40.2 | Very low | 37.5 | Very low | 204 Ų | 204 | 145.6 Ų | 145.6 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | 41.9 | 103.4 | 122.2 | -59.5 | 177.4 | -176.6 | 178.4 | 0 | 118 | |||||
| 244 | S | 35.6 | Very low | 37.3 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 94% | 0.937 | 80% | 0.796 | S | S | * | * | -163.1 | 160.8 | 120.2 | 55.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 245 | G | 36.8 | Very low | 36.5 | Very low | 70 Ų | 70 | 148 Ų | 148 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | -173.7 | -175.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 246 | P | 43.2 | Very low | 36.4 | Very low | 135 Ų | 135 | 147.3 Ų | 147.3 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | cis | -115.4 | 162.4 | -5.1 | 39 | -28.1 | 0 | 0 | 0 | 112.6 | ||||
| 247 | S | 35.7 | Very low | 35.5 | Very low | 127 Ų | 127 | 149.7 Ų | 149.7 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -143.2 | 151.9 | 162 | -168.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 248 | R | 41.2 | Very low | 36 | Very low | 235 Ų | 235 | 149.7 Ų | 149.7 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | -97 | 132.4 | -168.9 | -55 | 179.4 | -175.1 | -150.3 | 1.4 | 111.3 | ||||
| 249 | K | 41.6 | Very low | 36.3 | Very low | 211 Ų | 211 | 148 Ų | 148 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | -165 | 140.5 | 130.6 | -105.2 | 153.1 | -172.2 | -180 | 0 | 111 | ||||
| 250 | K | 46.8 | Very low | 36.6 | Very low | 182 Ų | 182 | 145.6 Ų | 145.6 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -100.2 | 101.4 | 178.3 | -175.5 | 177.5 | -177.1 | 178.3 | 0 | 107.5 | ||||
| 251 | A | 31.7 | Very low | 36.7 | Very low | 85 Ų | 85 | 151.3 Ų | 151.3 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | trans | -108.6 | 132.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 252 | F | 33 | Very low | 36.9 | Very low | 177 Ų | 177 | 155.9 Ų | 155.9 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -85.9 | 129.8 | 174.3 | -68.8 | -97.1 | 0 | 0 | 0 | 108.5 | H254 | F252-H254 PolarHBondContact O-N 2.91Š| ||
| 253 | H | 33.8 | Very low | 36.9 | Very low | 187 Ų | 187 | 155.1 Ų | 155.1 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -75.7 | 120.6 | 168.6 | -84.7 | -95.7 | 0 | 0 | 0 | 109.4 | ||||
| 254 | H | 34.9 | Very low | 36.6 | Very low | 177 Ų | 177 | 153.6 Ų | 153.6 | 82% | 0.819 | 80% | 0.803 | S | S | * | * | trans | -86.8 | 114.1 | 165.3 | 172.5 | -63.8 | 0 | 0 | 0 | 107.1 | F252 | F252-H254 PolarHBondContact O-N 2.91Š| ||
| 255 | E | 32.3 | Very low | 36.7 | Very low | 180 Ų | 180 | 156.3 Ų | 156.3 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | -121.7 | 160.8 | 173 | -159.4 | 164.4 | -126 | 0 | 0 | 110.6 | ||||
| 256 | E | 30.3 | Very low | 36.7 | Very low | 148 Ų | 148 | 159.7 Ų | 159.7 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | trans | -92.6 | 131.8 | -145.2 | -158.3 | 169.2 | 145.4 | 0 | 0 | 113.8 | H258 | E256-H258 PolarHBondContact O-N 2.7Å; E256-H258 VanDerWaalsContact O-N 3.15Å; E256-H258 IonicContact OE1-CE1 2.98Å | ||
| 257 | I | 34.9 | Very low | 36.5 | Very low | 157 Ų | 157 | 157.8 Ų | 157.8 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -82.3 | 96.6 | -178.1 | -57.1 | 175.5 | 0 | 0 | 0 | 109.8 | ||||
| 258 | H | 37.8 | Very low | 37.1 | Very low | 151 Ų | 151 | 157.5 Ų | 157.5 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | -90.4 | 119.3 | 160.9 | -69 | -26.7 | 0 | 0 | 0 | 110.2 | E256 S260 | E256-H258 PolarHBondContact O-N 2.7Å; E256-H258 VanDerWaalsContact O-N 3.15Å; E256-H258 IonicContact OE1-CE1 2.98Å; H258-S260 PolarHBondContact O-N 3.27Å | ||
| 259 | P | 41.1 | Very low | 36.8 | Very low | 110 Ų | 110 | 157.7 Ų | 157.7 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | trans | -76.3 | 113.5 | 178.6 | 29.8 | -32.9 | 0 | 0 | 0 | 110.8 | ||||
| 260 | S | 36.7 | Very low | 36.8 | Very low | 113 Ų | 113 | 153 Ų | 153 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 135.3 | 167.9 | 50.2 | 0 | 0 | 0 | 0 | 110.7 | H258 Y262 | H258-S260 PolarHBondContact O-N 3.27Å; S260-Y262 PolarHBondContact O-N 2.94Å |
| 261 | H | 33.9 | Very low | 36.5 | Very low | 189 Ų | 189 | 151 Ų | 151 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 124.8 | 178.7 | -71.8 | -90.7 | 0 | 0 | 0 | 110.8 | ||
| 262 | Y | 37.9 | Very low | 36.6 | Very low | 194 Ų | 194 | 153.6 Ų | 153.6 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 124.1 | 179.5 | -144.3 | -82.5 | 0 | 0 | 0 | 110.4 | S260 F264 | S260-Y262 PolarHBondContact O-N 2.94Å; Y262-F264 HydrophobicContact CD1-CD1 4.39Å; Y262-F264 AromaticContact CD1-CD2 3.94Å; Y262-F264 HydrophobicContact CD1-CD2 3.94Å; Y262-F264 AromaticContact CD1-CE1 3.95Å; Y262-F264 HydrophobicContact CD1-CE1 3.95Å; Y262-F264 AromaticContact CD1-CE2 3.45Å; Y262-F264 HydrophobicContact CD1-CE2 3.45Å; Y262-F264 VanDerWaalsContact CD1-CE2 3.45Å; Y262-F264 HydrophobicContact CD1-CG 4.38Å; Y262-F264 AromaticContact CD1-CZ 3.46Å; Y262-F264 HydrophobicContact CD1-CZ 3.46Å; Y262-F264 VanDerWaalsContact CD1-CZ 3.46Å; Y262-F264 HydrophobicContact CE1-CD1 4.26Å; Y262-F264 AromaticContact CE1-CE1 3.61Å; Y262-F264 HydrophobicContact CE1-CE1 3.61Å; Y262-F264 AromaticContact CE1-CE2 3.95Å; Y262-F264 HydrophobicContact CE1-CE2 3.95Å; Y262-F264 AromaticContact CE1-CZ 3.43Å; Y262-F264 HydrophobicContact CE1-CZ 3.43Å; Y262-F264 VanDerWaalsContact CE1-CZ 3.43Å; Y262-F264 HydrophobicContact CG-CE2 4.3Å; Y262-F264 HydrophobicContact CG-CZ 4.49Å |
| 263 | A | 34.9 | Very low | 36.8 | Very low | 91 Ų | 91 | 150.9 Ų | 150.9 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 137.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 264 | F | 35.5 | Very low | 36.9 | Very low | 172 Ų | 172 | 150 Ų | 150 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | trans | -122.9 | 102.6 | 173.1 | -75.5 | -75.5 | 0 | 0 | 0 | 110.2 | Y262 | Y262-F264 HydrophobicContact CD1-CD1 4.39Å; Y262-F264 AromaticContact CD1-CD2 3.94Å; Y262-F264 HydrophobicContact CD1-CD2 3.94Å; Y262-F264 AromaticContact CD1-CE1 3.95Å; Y262-F264 HydrophobicContact CD1-CE1 3.95Å; Y262-F264 AromaticContact CD1-CE2 3.45Å; Y262-F264 HydrophobicContact CD1-CE2 3.45Å; Y262-F264 VanDerWaalsContact CD1-CE2 3.45Å; Y262-F264 HydrophobicContact CD1-CG 4.38Å; Y262-F264 AromaticContact CD1-CZ 3.46Å; Y262-F264 HydrophobicContact CD1-CZ 3.46Å; Y262-F264 VanDerWaalsContact CD1-CZ 3.46Å; Y262-F264 HydrophobicContact CE1-CD1 4.26Å; Y262-F264 AromaticContact CE1-CE1 3.61Å; Y262-F264 HydrophobicContact CE1-CE1 3.61Å; Y262-F264 AromaticContact CE1-CE2 3.95Å; Y262-F264 HydrophobicContact CE1-CE2 3.95Å; Y262-F264 AromaticContact CE1-CZ 3.43Å; Y262-F264 HydrophobicContact CE1-CZ 3.43Å; Y262-F264 VanDerWaalsContact CE1-CZ 3.43Å; Y262-F264 HydrophobicContact CG-CE2 4.3Å; Y262-F264 HydrophobicContact CG-CZ 4.49Å | ||
| 265 | E | 36.7 | Very low | 36.6 | Very low | 192 Ų | 192 | 145.2 Ų | 145.2 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -122.3 | 123.5 | 155.8 | -75.3 | -162.8 | 150.9 | 0 | 0 | 108.6 | ||||
| 266 | T | 37.1 | Very low | 36.4 | Very low | 140 Ų | 140 | 140 Ų | 140 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | -152.2 | 121.5 | 164.4 | -29.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 267 | A | 38.9 | Very low | 36.3 | Very low | 96 Ų | 96 | 138.5 Ų | 138.5 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | trans | -94.6 | 150.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 268 | P | 47.1 | Very low | 36.1 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -89.7 | 145.6 | 171.1 | 34.7 | -32.7 | 0 | 0 | 0 | 112.6 | ||||
| 269 | R | 35.1 | Very low | 35.8 | Very low | 238 Ų | 238 | 142.3 Ų | 142.3 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -133.3 | 148.6 | 159.4 | -85.8 | -74.7 | -179.4 | 156.6 | -2.4 | 108.6 | ||||
| 270 | P | 42.8 | Very low | 35.1 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -88.8 | 162.3 | -169.2 | 36 | -36.7 | 0 | 0 | 0 | 113.5 | ||||
| 271 | T | 40.4 | Very low | 34.9 | Very low | 141 Ų | 141 | 143 Ų | 143 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | -137.7 | 131.8 | 169 | -53.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 272 | D | 33.3 | Very low | 34.7 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | -98.5 | 142.2 | -179 | -86.5 | -59.1 | 0 | 0 | 0 | 113.6 | ||||
| 273 | V | 37.2 | Very low | 34.4 | Very low | 120 Ų | 120 | 144.8 Ų | 144.8 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 47.2 | 106.3 | 136.6 | -178.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 274 | L | 36 | Very low | 34.4 | Very low | 170 Ų | 170 | 149.8 Ų | 149.8 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | 178.2 | 131.3 | 109.9 | -114.1 | 150.2 | 0 | 0 | 0 | 116.6 | |||||
| 275 | G | 28.7 | Very low | 34 | Very low | 76 Ų | 76 | 147.7 Ų | 147.7 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | 78 | 152.3 | 145.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 276 | G | 27.1 | Very low | 33.8 | Very low | 70 Ų | 70 | 146.6 Ų | 146.6 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | 162.4 | -13.1 | 161 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 277 | T | 30 | Very low | 33.4 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | trans | 50.7 | 124.3 | 167.6 | 55.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 278 | R | 30.8 | Very low | 33.3 | Very low | 201 Ų | 201 | 150.7 Ų | 150.7 | 76% | 0.758 | 81% | 0.808 | S | S | * | * | trans | 80.4 | 139.2 | 135.6 | -72.3 | -172.4 | -74.5 | -164.2 | -4.7 | 123 | ||||
| 279 | F | 30.5 | Very low | 32.7 | Very low | 187 Ų | 187 | 155 Ų | 155 | 82% | 0.82 | 81% | 0.809 | S | S | * | * | trans | 68.1 | 151.8 | 164.7 | -55.1 | -58.8 | 0 | 0 | 0 | 117.2 | ||||
| 280 | C | 27.6 | Very low | 33 | Very low | 119 Ų | 119 | 151.1 Ų | 151.1 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | cis | -141 | 161.3 | -4.7 | -154.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 281 | S | 31.7 | Very low | 32.4 | Very low | 119 Ų | 119 | 154.2 Ų | 154.2 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | -92.2 | 130.5 | 176.6 | -50.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 282 | Q | 29.9 | Very low | 32.1 | Very low | 192 Ų | 192 | 153.8 Ų | 153.8 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -112.5 | 116.9 | 169.5 | -166.9 | 168.1 | 13.6 | 0 | 0 | 110.7 | ||||
| 283 | R | 30.5 | Very low | 32.5 | Very low | 228 Ų | 228 | 155.5 Ų | 155.5 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -78 | 146.3 | 166.5 | -74.4 | -178.3 | 172.3 | -178 | -2.6 | 109.5 | ||||
| 284 | Q | 34.8 | Very low | 32.8 | Very low | 196 Ų | 196 | 159.1 Ų | 159.1 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | -106.4 | 149.2 | 145.7 | -81 | -173.8 | -25.1 | 0 | 0 | 109.1 | ||||
| 285 | T | 28.3 | Very low | 33.3 | Very low | 128 Ų | 128 | 161.1 Ų | 161.1 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -114 | 129.9 | -173.9 | -49.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 286 | L | 31.5 | Very low | 33.8 | Very low | 169 Ų | 169 | 167.2 Ų | 167.2 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | trans | -126 | 118.8 | 162.3 | -172.9 | 67.4 | 0 | 0 | 0 | 107.6 | ||||
| 287 | E | 28.6 | Very low | 34.2 | Very low | 141 Ų | 141 | 169.3 Ų | 169.3 | 66% | 0.659 | 82% | 0.821 | S | S | * | * | trans | -95.4 | 123 | -179.6 | -176.1 | -176.5 | -173.5 | 0 | 0 | 110.1 | R289 | E287-R289 IonicContact OE1-NE 3.82Š| ||
| 288 | M | 38.1 | Very low | 34.4 | Very low | 181 Ų | 181 | 168.7 Ų | 168.7 | 89% | 0.892 | 82% | 0.822 | S | S | * | * | trans | -139.7 | 130.9 | 153 | -70.5 | -158.1 | 79.2 | 0 | 0 | 109 | ||||
| 289 | R | 34.3 | Very low | 34.7 | Very low | 211 Ų | 211 | 168.4 Ų | 168.4 | 80% | 0.796 | 83% | 0.826 | S | S | * | * | trans | -86.4 | 142 | 177.9 | -64.5 | -175.8 | 179.4 | -161.8 | 1.2 | 111.3 | E287 | E287-R289 IonicContact OE1-NE 3.82Š| ||
| 290 | T | 40.1 | Very low | 34.9 | Very low | 156 Ų | 156 | 165.1 Ų | 165.1 | 96% | 0.957 | 83% | 0.826 | S | S | * | * | trans | -160.2 | 161.6 | 132.5 | 1.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 291 | E | 31.4 | Very low | 35.1 | Very low | 178 Ų | 178 | 166.3 Ų | 166.3 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | trans | -112.1 | 161.2 | -161.4 | -161.3 | 177.3 | 155.1 | 0 | 0 | 112.6 | ||||
| 292 | E | 34 | Very low | 35.3 | Very low | 131 Ų | 131 | 170 Ų | 170 | 61% | 0.612 | 83% | 0.831 | S | S | * | * | trans | 49.2 | 114.6 | 162.4 | -94.1 | -132.2 | 109.5 | 0 | 0 | 118 | ||||
| 293 | K | 41.4 | Very low | 35.4 | Very low | 176 Ų | 176 | 168.8 Ų | 168.8 | 77% | 0.765 | 83% | 0.83 | S | S | * | * | -164.7 | 161.9 | 67.5 | -115.7 | 154.5 | -178.8 | 108.6 | 0 | 115.6 | |||||
| 294 | K | 43.9 | Very low | 35.4 | Very low | 195 Ų | 195 | 165.5 Ų | 165.5 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | trans | -95 | 121.4 | -169.5 | 167.8 | -172.8 | 177.7 | -179.7 | 0 | 113.3 | ||||
| 295 | K | 46.2 | Very low | 35 | Very low | 212 Ų | 212 | 165.9 Ų | 165.9 | 92% | 0.922 | 82% | 0.817 | S | S | * | * | trans | -161.4 | 159.6 | 148 | -113.8 | 161.4 | -173.3 | 177.4 | 0 | 113.1 | ||||
| 296 | K | 39.5 | Very low | 35.1 | Very low | 204 Ų | 204 | 170 Ų | 170 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | -100.7 | 147.7 | -172.7 | -53.7 | 173.4 | 179.9 | 178.9 | 0 | 110.9 | ||||
| 297 | S | 35.1 | Very low | 35 | Very low | 115 Ų | 115 | 167.5 Ų | 167.5 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | 174.8 | 161.5 | 100.5 | 58.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 298 | S | 33.7 | Very low | 35.4 | Very low | 104 Ų | 104 | 168.4 Ų | 168.4 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -48.6 | 153.2 | 167.4 | 53.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 299 | K | 37.7 | Very low | 35 | Very low | 194 Ų | 194 | 165.1 Ų | 165.1 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | -178.5 | 128 | 63.2 | -176.6 | 173.9 | -176.9 | 176.4 | 0 | 109.7 | |||||
| 300 | S | 35.3 | Very low | 34.8 | Very low | 119 Ų | 119 | 161.4 Ų | 161.4 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -84.5 | 133.5 | 176 | 45.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 301 | T | 31.7 | Very low | 34.3 | Very low | 144 Ų | 144 | 159.6 Ų | 159.6 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -89.4 | 114.4 | 176.4 | -39 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 302 | K | 34.8 | Very low | 34.3 | Very low | 196 Ų | 196 | 160 Ų | 160 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 121.9 | -175 | -176.4 | 178.5 | 177 | -176.7 | 0 | 111 | Q304 | K302-Q304 PolarHBondContact O-N 2.79Š|
| 303 | L | 33.3 | Very low | 34.2 | Very low | 167 Ų | 167 | 158.7 Ų | 158.7 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 132.7 | 166.2 | -92 | 150.1 | 0 | 0 | 0 | 110.2 | ||
| 304 | Q | 30.4 | Very low | 34 | Very low | 158 Ų | 158 | 156 Ų | 156 | 74% | 0.738 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 122.3 | 176.5 | -71.3 | -169.1 | -4.8 | 0 | 0 | 110.4 | K302 | K302-Q304 PolarHBondContact O-N 2.79Š|
| 305 | R | 26.9 | Very low | 33.6 | Very low | 204 Ų | 204 | 151.8 Ų | 151.8 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 132.2 | 160.2 | -174.5 | -169.7 | -69.4 | -177 | -8.9 | 108 | D307 | R305-D307 VanDerWaalsContact CD-CG 3.4Å; R305-D307 VanDerWaalsContact CD-OD1 3.26Å; R305-D307 WeakPolarHBondContact CD-OD1 3.37Å; R305-D307 WeakPolarHBondContact CD-OD2 3.21Å; R305-D307 WeakPolarHBondContact CG-OD1 3.14Å; R305-D307 IonicContact NH1-OD2 3.75Å |
| 306 | W | 30.2 | Very low | 33.5 | Very low | 214 Ų | 214 | 150.9 Ų | 150.9 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -106.3 | 100.5 | 172.6 | -84.8 | 43.7 | 0 | 0 | 0 | 108.9 | ||||
| 307 | D | 28.6 | Very low | 33.8 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 63% | 0.626 | 80% | 0.802 | S | S | * | * | trans | -107.3 | 115.4 | 173.4 | -63.9 | -32.6 | 0 | 0 | 0 | 109 | R305 | R305-D307 VanDerWaalsContact CD-CG 3.4Å; R305-D307 VanDerWaalsContact CD-OD1 3.26Å; R305-D307 WeakPolarHBondContact CD-OD1 3.37Å; R305-D307 WeakPolarHBondContact CD-OD2 3.21Å; R305-D307 WeakPolarHBondContact CG-OD1 3.14Å; R305-D307 IonicContact NH1-OD2 3.75Å | ||
| 308 | L | 36 | Very low | 34.3 | Very low | 160 Ų | 160 | 149.6 Ų | 149.6 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -139.1 | 87.5 | 165.7 | -70.2 | 176.2 | 0 | 0 | 0 | 107.1 | ||||
| 309 | S | 31.6 | Very low | 34.6 | Very low | 113 Ų | 113 | 150.2 Ų | 150.2 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | 72.8 | 90.1 | 91.3 | -167.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 310 | C | 28.7 | Very low | 35 | Very low | 133 Ų | 133 | 148.7 Ų | 148.7 | 90% | 0.899 | 80% | 0.803 | S | S | * | * | trans | -72.2 | 130 | 172 | -57.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 311 | S | 29.3 | Very low | 35.6 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -100.5 | 115.4 | 169.4 | -170.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 312 | E | 32.4 | Very low | 36.2 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -85.8 | 116.9 | 173.9 | -175.6 | 175.9 | 177.9 | 0 | 0 | 109.4 | ||||
| 313 | S | 30.8 | Very low | 37.1 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -131.1 | 107.4 | 173.1 | 63.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 314 | S | 39.1 | Very low | 38.4 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -86 | 113.3 | 177.3 | 45.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 315 | S | 35.3 | Very low | 39.5 | Very low | 107 Ų | 107 | 149 Ų | 149 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -109.6 | 112.1 | 172.3 | 49.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 316 | K | 43.3 | Very low | 40.5 | Very low | 193 Ų | 193 | 144.8 Ų | 144.8 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -74.2 | 126.1 | 162.5 | -79 | -170.9 | 170.3 | -164.4 | 0 | 109 | ||||
| 317 | V | 46.3 | Very low | 41.1 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | trans | -135.1 | 106 | 161.8 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | T319 | V317-T319 WeakPolarHBondContact CG1-OG1 3.45Š| ||
| 318 | E | 44.6 | Very low | 41.7 | Very low | 173 Ų | 173 | 147.8 Ų | 147.8 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | trans | -105.1 | 107.8 | 163.6 | -70 | 177.2 | 91.8 | 0 | 0 | 107.7 | ||||
| 319 | T | 41.3 | Very low | 41.6 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 71% | 0.712 | 81% | 0.813 | S | S | * | * | trans | -148.5 | 97 | 168.1 | 27.9 | 0 | 0 | 0 | 0 | 111.2 | V317 | V317-T319 WeakPolarHBondContact CG1-OG1 3.45Š| ||
| 320 | N | 46 | Very low | 42.1 | Very low | 163 Ų | 163 | 144.1 Ų | 144.1 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | trans | 21.4 | 115.3 | 141.9 | -54.2 | -16.2 | 0 | 0 | 0 | 117.7 | ||||
| 321 | G | 46.4 | Very low | 42.7 | Very low | 73 Ų | 73 | 143.5 Ų | 143.5 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | -72.9 | 133.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 322 | N | 44.3 | Very low | 43.3 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | trans | -170.4 | 107.2 | 150.7 | -106 | -44.2 | 0 | 0 | 0 | 109.1 | ||||
| 323 | I | 54.1 | Low | 43.7 | Very low | 169 Ų | 169 | 144 Ų | 144 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -126.5 | 109.1 | 173.3 | -38.5 | 178.1 | 0 | 0 | 0 | 108.4 | ||||
| 324 | R | 60.8 | Low | 43.7 | Very low | 228 Ų | 228 | 146.1 Ų | 146.1 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 146.8 | 174 | -65.3 | 173.7 | 178.7 | 155.7 | -1.3 | 109.1 | P326 | R324-P326 WeakPolarHBondContact O-CD 3.41Š|
| 325 | I | 53.9 | Low | 43.6 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 123.6 | 179.6 | -59.5 | 167 | 0 | 0 | 0 | 109.7 | K327 | I325-K327 PolarHBondContact O-N 2.83Š|
| 326 | P | 47.8 | Very low | 43.6 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 121.9 | 173.9 | -22 | 34.4 | 0 | 0 | 0 | 111.1 | R324 | R324-P326 WeakPolarHBondContact O-CD 3.41Š|
| 327 | K | 43.2 | Very low | 43.1 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 124.3 | 177.8 | -166.8 | 173.6 | -176 | 177.8 | 0 | 109.3 | I325 A329 | I325-K327 PolarHBondContact O-N 2.83Å; K327-A329 PolarHBondContact O-N 2.92Å |
| 328 | Q | 40.2 | Very low | 42.5 | Very low | 193 Ų | 193 | 142.2 Ų | 142.2 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 136.1 | 180 | -69.9 | 178.9 | -13.8 | 0 | 0 | 111.2 | ||
| 329 | A | 34.7 | Very low | 41.8 | Very low | 91 Ų | 91 | 139 Ų | 139 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -101 | 132.6 | 171 | 0 | 0 | 0 | 0 | 0 | 109.3 | K327 V331 | K327-A329 PolarHBondContact O-N 2.92Å; A329-V331 PolarHBondContact O-N 3.05Å |
| 330 | A | 40.8 | Very low | 41.6 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 121.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 331 | V | 42.1 | Very low | 41 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -94.8 | 110.7 | 171.6 | 175.1 | 0 | 0 | 0 | 0 | 108.3 | A329 L333 | A329-V331 PolarHBondContact O-N 3.05Å; V331-L333 HydrophobicContact CG1-CD1 4.4Å; V331-L333 HydrophobicContact CG1-CG 4.01Å | ||
| 332 | I | 41.9 | Very low | 40.6 | Very low | 158 Ų | 158 | 143 Ų | 143 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -77.4 | 124.9 | 163.1 | -60.4 | 169.8 | 0 | 0 | 0 | 106.5 | ||||
| 333 | L | 41.2 | Very low | 40.1 | Very low | 156 Ų | 156 | 145.5 Ų | 145.5 | 82% | 0.817 | 82% | 0.816 | S | S | * | * | trans | -116.8 | 120.8 | 162.9 | -84.4 | 171 | 0 | 0 | 0 | 108.9 | V331 | V331-L333 HydrophobicContact CG1-CD1 4.4Å; V331-L333 HydrophobicContact CG1-CG 4.01Å | ||
| 334 | D | 30.2 | Very low | 39.3 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | -72.3 | 147.3 | 175.3 | -165.1 | 3.8 | 0 | 0 | 0 | 109.9 | ||||
| 335 | S | 37.5 | Very low | 38 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -132.8 | 87.1 | -176.6 | -168.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 336 | A | 35.3 | Very low | 37 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | trans | -90.3 | 108.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 337 | D | 32.7 | Very low | 36.6 | Very low | 159 Ų | 159 | 142 Ų | 142 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | trans | -146 | 165 | 152.1 | -139.1 | -32.8 | 0 | 0 | 0 | 111.4 | ||||
| 338 | S | 34.7 | Very low | 36.3 | Very low | 91 Ų | 91 | 136.9 Ų | 136.9 | 64% | 0.636 | 81% | 0.813 | S | S | * | * | trans | -122 | 165.3 | -136.5 | 74.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 339 | C | 28.8 | Very low | 36.3 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 72% | 0.716 | 81% | 0.806 | S | S | * | * | trans | 63.8 | 100.4 | 154.3 | -59.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 340 | K | 36.6 | Very low | 37.1 | Very low | 211 Ų | 211 | 135.5 Ų | 135.5 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | -152.6 | 154.2 | 105.7 | -83.3 | -41.3 | -179.2 | -177.3 | 0 | 110.9 | |||||
| 341 | A | 33.7 | Very low | 37 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -103.2 | 129.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 342 | S | 37.8 | Very low | 37.2 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -127.3 | 112.5 | 166.4 | -67.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 343 | K | 34 | Very low | 37.6 | Very low | 209 Ų | 209 | 146.1 Ų | 146.1 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -112.1 | 92.6 | -165.8 | -170.9 | -177.2 | -176.6 | -177.6 | 0 | 110.9 | ||||
| 344 | T | 37 | Very low | 37.5 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | trans | -122.7 | 132.5 | 173.8 | -49 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 345 | Q | 34.1 | Very low | 37.9 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -112 | 123.8 | -168.6 | 166.6 | -171.4 | -12.2 | 0 | 0 | 110.2 | ||||
| 346 | A | 32.8 | Very low | 38 | Very low | 94 Ų | 94 | 142 Ų | 142 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | -155 | 111.6 | 166 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 347 | H | 38.9 | Very low | 38.4 | Very low | 186 Ų | 186 | 144.5 Ų | 144.5 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | 11.8 | 143.1 | 159.1 | -66.5 | -88.1 | 0 | 0 | 0 | 122.8 | ||||
| 348 | A | 38.5 | Very low | 38.9 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | -112.3 | 155.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 349 | H | 38.3 | Very low | 39 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | 68.5 | 160.3 | 160.4 | -172 | -115 | 0 | 0 | 0 | 115.1 | ||||
| 350 | P | 53.3 | Low | 39.3 | Very low | 95 Ų | 95 | 142.8 Ų | 142.8 | 62% | 0.617 | 80% | 0.801 | S | S | * | * | cis | -118.6 | 167.5 | -4.7 | 9.8 | 15.6 | 0 | 0 | 0 | 117.4 | ||||
| 351 | R | 38.6 | Very low | 39.3 | Very low | 224 Ų | 224 | 142 Ų | 142 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | 7 | 149.1 | 137.8 | -48 | 175.7 | -179 | -123.9 | 0.5 | 119.9 | ||||
| 352 | K | 45.6 | Very low | 39.6 | Very low | 189 Ų | 189 | 141.9 Ų | 141.9 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | 161.3 | 146.9 | 101.4 | -169.5 | 176.8 | -176.6 | 175.9 | 0 | 113 | |||||
| 353 | K | 50.5 | Low | 39.7 | Very low | 192 Ų | 192 | 142.6 Ų | 142.6 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | 67.5 | 144.9 | -178.1 | -50 | -171.2 | -177.4 | -179.3 | 0 | 114.3 | ||||
| 354 | G | 38.4 | Very low | 40.1 | Very low | 78 Ų | 78 | 139.8 Ų | 139.8 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | cis | 100.2 | 86.4 | -11.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 355 | K | 39.1 | Very low | 40.6 | Very low | 184 Ų | 184 | 139 Ų | 139 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -151.7 | 157.5 | 150.3 | -164.5 | 176.2 | -179.6 | -66 | 0 | 108.3 | E357 | K355-E357 IonicContact NZ-OE1 3.77Å; K355-E357 PolarHBondContact NZ-OE1 3.49Å | ||
| 356 | A | 40.2 | Very low | 41 | Very low | 70 Ų | 70 | 135.5 Ų | 135.5 | 58% | 0.579 | 80% | 0.795 | S | S | * | * | trans | -108 | -169.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 357 | E | 42.9 | Very low | 41.5 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | 58.5 | 114.4 | 167.1 | 66.8 | -87.2 | 146.7 | 0 | 0 | 120.5 | K355 | K355-E357 IonicContact NZ-OE1 3.77Å; K355-E357 PolarHBondContact NZ-OE1 3.49Å | ||
| 358 | S | 42.5 | Very low | 42.1 | Very low | 119 Ų | 119 | 137 Ų | 137 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | -159.5 | 142 | 111.4 | -165.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 359 | C | 37.2 | Very low | 42.7 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 86% | 0.858 | 79% | 0.788 | S | S | * | * | trans | -97.8 | 159.9 | 170.5 | -62.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 360 | G | 36.2 | Very low | 43.5 | Very low | 74 Ų | 74 | 143 Ų | 143 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | -172.1 | 124.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 361 | H | 35.6 | Very low | 43.7 | Very low | 194 Ų | 194 | 147.2 Ų | 147.2 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | trans | -91.2 | 163.4 | -176.9 | -84.9 | -100.2 | 0 | 0 | 0 | 113 | ||||
| 362 | A | 40.7 | Very low | 44.4 | Very low | 98 Ų | 98 | 143.4 Ų | 143.4 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -70.9 | 160.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 363 | T | 40 | Very low | 44.7 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | trans | -124.1 | 133.2 | 157.8 | 46.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 364 | V | 42.5 | Very low | 44.3 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -79.3 | 150.5 | 168.6 | -76.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 365 | S | 47.2 | Very low | 44.4 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -134.6 | 124.6 | 166.7 | -171.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 366 | S | 42.2 | Very low | 45 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -112 | 135.7 | 174.1 | 56.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 367 | E | 42.8 | Very low | 45.5 | Very low | 143 Ų | 143 | 144.7 Ų | 144.7 | 67% | 0.668 | 82% | 0.821 | S | S | * | * | trans | -154.4 | 113.6 | 164.4 | -168.6 | 70.9 | 153.4 | 0 | 0 | 113.5 | ||||
| 368 | K | 52.6 | Low | 45.6 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 73% | 0.726 | 82% | 0.817 | S | S | * | * | trans | 35 | 120.4 | 147.4 | -60.3 | 164.5 | -164.8 | 132.8 | 0 | 121.8 | ||||
| 369 | K | 49.9 | Very low | 45.9 | Very low | 202 Ų | 202 | 143.3 Ų | 143.3 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | trans | -18.7 | 140.1 | 149.7 | -58.8 | -89.6 | -173.8 | 176.3 | 0 | 116.7 | ||||
| 370 | L | 56.5 | Low | 46.4 | Very low | 180 Ų | 180 | 146.2 Ų | 146.2 | 94% | 0.942 | 81% | 0.808 | S | S | * | * | trans | -117.1 | 159.5 | 149.9 | -75.5 | 176.2 | 0 | 0 | 0 | 111.2 | ||||
| 371 | K | 56.8 | Low | 47.1 | Very low | 182 Ų | 182 | 152.1 Ų | 152.1 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | -115 | 116.1 | -161.2 | -177.7 | 178.6 | 177.8 | 179.7 | 0 | 111.5 | N373 | K371-N373 PolarHBondContact O-N 3.43Š| ||
| 372 | T | 52.3 | Low | 47.9 | Very low | 144 Ų | 144 | 150.8 Ų | 150.8 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -78.9 | 100 | -179.9 | 51.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 373 | N | 52.5 | Low | 48.2 | Very low | 144 Ų | 144 | 159.5 Ų | 159.5 | 77% | 0.77 | 83% | 0.83 | S | S | * | * | trans | -87.3 | 117.1 | 162.5 | -68.3 | -24.5 | 0 | 0 | 0 | 108.7 | K371 | K371-N373 PolarHBondContact O-N 3.43Š| ||
| 374 | G | 42.5 | Very low | 48.6 | Very low | 72 Ų | 72 | 160.4 Ų | 160.4 | 74% | 0.742 | 83% | 0.829 | S | S | * | * | trans | -105.3 | 141 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 375 | V | 41 | Very low | 48.9 | Very low | 148 Ų | 148 | 160.9 Ų | 160.9 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | -160 | 156.7 | 152.9 | 127.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 376 | K | 51.5 | Low | 49 | Very low | 184 Ų | 184 | 163 Ų | 163 | 80% | 0.8 | 82% | 0.822 | S | S | * | * | trans | -78.2 | 154.1 | -167.5 | -56.3 | 165.3 | -175.3 | 174.8 | 0 | 112.5 | ||||
| 377 | Q | 49.8 | Very low | 49.4 | Very low | 193 Ų | 193 | 166.2 Ų | 166.2 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -114.2 | 137.4 | 149.4 | -74.5 | -66.1 | -70.5 | 0 | 0 | 107.5 | ||||
| 378 | N | 45.6 | Very low | 49.9 | Very low | 112 Ų | 112 | 167.7 Ų | 167.7 | 60% | 0.599 | 84% | 0.836 | S | S | * | * | trans | -115.9 | 146 | -173.3 | -166.8 | 22.4 | 0 | 0 | 0 | 111.2 | Y380 | N378-Y380 HydrophobicContact CB-CE2 4.13Å; N378-Y380 WeakPolarHBondContact ND2-CE2 3.47Å; N378-Y380 PolarHBondContact ND2-OH 3.07Å; N378-Y380 PolarHBondContact O-N 3.11Å | ||
| 379 | T | 49.5 | Very low | 49.7 | Very low | 123 Ų | 123 | 167.7 Ų | 167.7 | 76% | 0.755 | 84% | 0.843 | S | S | * | * | trans | -77.9 | 116 | -174.8 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 380 | Y | 45.7 | Very low | 49.7 | Very low | 188 Ų | 188 | 165.3 Ų | 165.3 | 74% | 0.737 | 84% | 0.84 | S | S | * | * | trans | -133.6 | 115 | 164.2 | -68.1 | -75.8 | 0 | 0 | 0 | 110.7 | N378 | N378-Y380 HydrophobicContact CB-CE2 4.13Å; N378-Y380 WeakPolarHBondContact ND2-CE2 3.47Å; N378-Y380 PolarHBondContact ND2-OH 3.07Å; N378-Y380 PolarHBondContact O-N 3.11Å | ||
| 381 | K | 52.7 | Low | 49.1 | Very low | 197 Ų | 197 | 164.2 Ų | 164.2 | 86% | 0.857 | 83% | 0.833 | S | S | * | * | trans | -91.4 | 132 | 158 | -74.4 | -76.4 | -172.6 | 173 | 0 | 107.1 | ||||
| 382 | L | 50.7 | Low | 48.5 | Very low | 166 Ų | 166 | 162.7 Ų | 162.7 | 87% | 0.869 | 84% | 0.836 | S | S | * | * | trans | -78.7 | 170.9 | 166.6 | -91.1 | 83.8 | 0 | 0 | 0 | 110.6 | ||||
| 383 | K | 48.1 | Very low | 48.1 | Very low | 281 Ų | 281 | 164.4 Ų | 164.4 | 100% | 1.222 | 83% | 0.832 | S | S | * | * | trans | -53.4 | 0 | -179.4 | -62.6 | 176 | 176.9 | 178.8 | 0 | 113.2 |
Retrieved 383 of 383 residues in 183.2 ms
(Link to these results)