| 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 | 42.4 | Very low | 44.4 | Very low | 241 Ų | 241 | 153.6 Ų | 153.6 | 100% | 1.187 | 83% | 0.834 | S | S | * | * | 0 | 88.5 | 0 | 175.6 | -178.6 | -178.7 | 0 | 0 | 105.6 | |||||
| 2 | E | 43.2 | Very low | 44.4 | Very low | 199 Ų | 199 | 157 Ų | 157 | 93% | 0.93 | 84% | 0.835 | S | S | * | * | trans | -156.2 | 154.2 | 177.3 | -106.9 | 154.8 | 170 | 0 | 0 | 105.7 | ||||
| 3 | A | 43.7 | Very low | 44.1 | Very low | 89 Ų | 89 | 154.2 Ų | 154.2 | 74% | 0.736 | 82% | 0.82 | S | S | * | * | trans | -143.4 | -168.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 4 | M | 43.3 | Very low | 44.4 | Very low | 164 Ų | 164 | 154.9 Ų | 154.9 | 81% | 0.808 | 82% | 0.824 | S | S | * | * | trans | 78.1 | 137.8 | -176.2 | -54.2 | 162.9 | 152.5 | 0 | 0 | 112.8 | ||||
| 5 | E | 48.8 | Very low | 44.7 | Very low | 172 Ų | 172 | 153.3 Ų | 153.3 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | cis | -150.8 | 157.9 | -8 | -121.3 | 148.4 | -152.6 | 0 | 0 | 109.6 | ||||
| 6 | D | 42.2 | Very low | 44.7 | Very low | 149 Ų | 149 | 153.4 Ų | 153.4 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -112.3 | 101.4 | -168.6 | -168.1 | 7.4 | 0 | 0 | 0 | 110.5 | S8 | D6-S8 PolarHBondContact O-N 2.97Å; D6-S8 VanDerWaalsContact O-N 3.08Å | ||
| 7 | D | 45.6 | Very low | 44.6 | Very low | 152 Ų | 152 | 153.6 Ų | 153.6 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -86.3 | 76.9 | -168.7 | -167.8 | 15.8 | 0 | 0 | 0 | 112.7 | S9 | D7-S9 PolarHBondContact O-N 3.24Š| ||
| 8 | S | 40.7 | Very low | 44.4 | Very low | 99 Ų | 99 | 153.1 Ų | 153.1 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | trans | -79.3 | 89.7 | 175.8 | -73.6 | 0 | 0 | 0 | 0 | 112 | D6 E10 | D6-S8 PolarHBondContact O-N 2.97Å; D6-S8 VanDerWaalsContact O-N 3.08Å; S8-E10 PolarHBondContact O-N 3.2Å | ||
| 9 | S | 46.8 | Very low | 43.5 | Very low | 101 Ų | 101 | 156.1 Ų | 156.1 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -69.5 | 98.4 | 176.1 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | D7 V11 | D7-S9 PolarHBondContact O-N 3.24Å; S9-V11 PolarHBondContact O-N 3.27Å | ||
| 10 | E | 40.4 | Very low | 43 | Very low | 188 Ų | 188 | 154.4 Ų | 154.4 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | -67.7 | 104.8 | 179.8 | -171.6 | 178.8 | -158 | 0 | 0 | 112.3 | S8 | S8-E10 PolarHBondContact O-N 3.2Š| ||
| 11 | V | 51.5 | Low | 42.4 | Very low | 136 Ų | 136 | 150.2 Ų | 150.2 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -77.5 | 124.1 | 175.7 | 176 | 0 | 0 | 0 | 0 | 110.2 | S9 | S9-V11 PolarHBondContact O-N 3.27Š| ||
| 12 | K | 44.8 | Very low | 41.7 | Very low | 194 Ų | 194 | 142.6 Ų | 142.6 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -70.5 | 150.7 | -175.2 | -79.7 | -178.9 | 173.9 | 175.8 | 0 | 114.4 | ||||
| 13 | D | 39.4 | Very low | 41.3 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 65% | 0.647 | 78% | 0.783 | S | S | * | * | trans | -93.4 | 111.2 | 180 | 179.8 | 8.8 | 0 | 0 | 0 | 111.5 | H15 | D13-H15 IonicContact OD1-CE1 3.41Å; D13-H15 PolarHBondContact OD1-CE1 3.12Å; D13-H15 IonicContact OD1-CG 3.95Å; D13-H15 IonicContact OD1-ND1 2.76Å; D13-H15 PolarHBondContact OD1-ND1 2.93Å; D13-H15 IonicContact OD2-CE1 3.09Å; D13-H15 PolarHBondContact OD2-CE1 3.33Å; D13-H15 IonicContact OD2-ND1 3.05Å; D13-H15 PolarHBondContact OD2-ND1 3.36Å | ||
| 14 | D | 49.2 | Very low | 40.7 | Very low | 163 Ų | 163 | 146.1 Ų | 146.1 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -98.7 | 82.7 | 176.7 | -95.4 | -21.1 | 0 | 0 | 0 | 111.2 | N16 | D14-N16 PolarHBondContact O-N 3.27Å; D14-N16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | H | 48.9 | Very low | 40.1 | Very low | 131 Ų | 131 | 149.9 Ų | 149.9 | 61% | 0.606 | 80% | 0.797 | S | S | * | * | trans | -67.4 | 103.6 | 174.6 | -94.2 | 56.8 | 0 | 0 | 0 | 112.5 | D13 H17 | D13-H15 IonicContact OD1-CE1 3.41Å; D13-H15 PolarHBondContact OD1-CE1 3.12Å; D13-H15 IonicContact OD1-CG 3.95Å; D13-H15 IonicContact OD1-ND1 2.76Å; D13-H15 PolarHBondContact OD1-ND1 2.93Å; D13-H15 IonicContact OD2-CE1 3.09Å; D13-H15 PolarHBondContact OD2-CE1 3.33Å; D13-H15 IonicContact OD2-ND1 3.05Å; D13-H15 PolarHBondContact OD2-ND1 3.36Å; H15-H17 PolarHBondContact O-CD2 3.16Å; H15-H17 PolarHBondContact O-N 2.63Å | ||
| 16 | N | 43.9 | Very low | 39.3 | Very low | 155 Ų | 155 | 146.5 Ų | 146.5 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -72 | 91.1 | 175.7 | -178.1 | 8.1 | 0 | 0 | 0 | 112.7 | D14 N18 | D14-N16 PolarHBondContact O-N 3.27Å; D14-N16 VanDerWaalsContact O-N 3.11Å; N16-N18 PolarHBondContact O-N 2.79Å | ||
| 17 | H | 43.8 | Very low | 38.7 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 73% | 0.731 | 80% | 0.8 | S | S | * | * | trans | -83.2 | 105.3 | 172.9 | -72 | -76.9 | 0 | 0 | 0 | 112.6 | H15 | H15-H17 PolarHBondContact O-CD2 3.16Å; H15-H17 PolarHBondContact O-N 2.63Å | ||
| 18 | N | 40 | Very low | 38 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | trans | -105.1 | 91.4 | 166.8 | -163.1 | -1.2 | 0 | 0 | 0 | 111.2 | N16 | N16-N18 PolarHBondContact O-N 2.79Š| ||
| 19 | Y | 28.3 | Very low | 37.3 | Very low | 210 Ų | 210 | 146.2 Ų | 146.2 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -113.2 | 97.2 | -173.5 | -170.8 | -88.3 | 0 | 0 | 0 | 111.5 | ||||
| 20 | C | 33.1 | Very low | 36.5 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -115.9 | 69.2 | 176.6 | -71.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 21 | G | 29.4 | Very low | 36.1 | Very low | 67 Ų | 67 | 146 Ų | 146 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | -93.8 | 109.7 | 168 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 22 | G | 29.2 | Very low | 35.2 | Very low | 81 Ų | 81 | 146.1 Ų | 146.1 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -151.6 | 90.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 23 | K | 34.9 | Very low | 35.1 | Very low | 210 Ų | 210 | 143 Ų | 143 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | trans | -102.3 | 120.4 | 169.4 | -84.5 | -178.2 | 174.5 | 174.9 | 0 | 110.7 | ||||
| 24 | V | 30.7 | Very low | 34.7 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 93% | 0.927 | 82% | 0.822 | S | S | * | * | trans | -135 | 154.3 | 155.8 | -174 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 25 | R | 30.6 | Very low | 33.8 | Very low | 243 Ų | 243 | 140.4 Ų | 140.4 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | trans | -78.9 | 160.7 | -168.2 | -91.5 | 170.5 | 153.5 | 167 | -9.7 | 115.1 | ||||
| 26 | A | 31.3 | Very low | 33 | Very low | 100 Ų | 100 | 141.6 Ų | 141.6 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | trans | -55.2 | 155.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 27 | A | 29.4 | Very low | 32.2 | Very low | 100 Ų | 100 | 138 Ų | 138 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | trans | -141 | 153 | 153.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 28 | L | 31.2 | Very low | 31.8 | Very low | 173 Ų | 173 | 135 Ų | 135 | 91% | 0.906 | 83% | 0.829 | S | S | * | * | trans | -87.9 | 149.2 | 175.8 | -66.5 | 83.4 | 0 | 0 | 0 | 110.8 | ||||
| 29 | S | 27 | Very low | 31.9 | Very low | 122 Ų | 122 | 134 Ų | 134 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | trans | -155.1 | 155.1 | 140.6 | -161.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 30 | S | 30 | Very low | 32.2 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 65% | 0.65 | 83% | 0.827 | S | S | * | * | trans | -110.4 | 144.7 | -169.2 | -46.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 31 | Q | 31.1 | Very low | 32.7 | Very low | 192 Ų | 192 | 131.1 Ų | 131.1 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | trans | 178.6 | 131.9 | 133.8 | -99.8 | 151.8 | 102.4 | 0 | 0 | 112.4 | ||||
| 32 | V | 32.8 | Very low | 32.6 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | trans | -141.9 | 134.9 | 161.4 | -178.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 33 | P | 42.4 | Very low | 32.7 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | trans | -81.1 | 167.6 | -178.9 | 33.4 | -35.7 | 0 | 0 | 0 | 113.1 | ||||
| 34 | D | 31.5 | Very low | 33.3 | Very low | 169 Ų | 169 | 131 Ų | 131 | 90% | 0.904 | 82% | 0.815 | S | S | * | * | trans | -106.4 | 155.9 | -160.4 | -138.1 | -33.1 | 0 | 0 | 0 | 114.9 | ||||
| 35 | G | 30.4 | Very low | 33.2 | Very low | 62 Ų | 62 | 130 Ų | 130 | 64% | 0.639 | 81% | 0.809 | S | S | * | * | trans | 79.4 | 156.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 36 | V | 31.1 | Very low | 33.4 | Very low | 155 Ų | 155 | 124.6 Ų | 124.6 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | cis | -152.2 | 143.1 | -7.1 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 37 | G | 28.5 | Very low | 33.9 | Very low | 79 Ų | 79 | 125.8 Ų | 125.8 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | 136.7 | 115.2 | 153.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 38 | A | 34.6 | Very low | 33.8 | Very low | 96 Ų | 96 | 125 Ų | 125 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | -139.1 | 159.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 39 | P | 41.5 | Very low | 33.5 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | -142.3 | 151 | 112.7 | 36.2 | -22.8 | 0 | 0 | 0 | 115.9 | |||||
| 40 | E | 35.2 | Very low | 33.6 | Very low | 159 Ų | 159 | 123.9 Ų | 123.9 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | trans | 20.6 | 144.2 | 132.5 | -84.9 | -82 | 130.7 | 0 | 0 | 119.9 | V42 | E40-V42 PolarHBondContact OE2-N 3.15Š| ||
| 41 | P | 43.8 | Very low | 34.5 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | -152.1 | 153.4 | 65.2 | 39.5 | -19 | 0 | 0 | 0 | 121.6 | |||||
| 42 | V | 27.9 | Very low | 34.4 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 71% | 0.709 | 80% | 0.795 | S | S | * | * | trans | 80.5 | 128 | 137.2 | 164.8 | 0 | 0 | 0 | 0 | 121.6 | E40 | E40-V42 PolarHBondContact OE2-N 3.15Š| ||
| 43 | C | 30.1 | Very low | 34.2 | Very low | 115 Ų | 115 | 122.2 Ų | 122.2 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | -116.1 | 176.3 | 163.5 | -64.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 44 | P | 47.4 | Very low | 33.6 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | -144.4 | 124 | 122.4 | 33.5 | -17.6 | 0 | 0 | 0 | 117.2 | |||||
| 45 | T | 29.3 | Very low | 33.5 | Very low | 131 Ų | 131 | 128 Ų | 128 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 20.5 | 137.9 | 132.4 | -48.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 46 | V | 33.8 | Very low | 33.3 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | trans | -111.8 | 143.7 | 163.2 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 47 | P | 43 | Very low | 33.5 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -108.1 | 148.4 | 156.1 | 36 | -27.1 | 0 | 0 | 0 | 112 | ||||
| 48 | G | 27.9 | Very low | 34.7 | Very low | 85 Ų | 85 | 133.3 Ų | 133.3 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | trans | -121.7 | 177.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 49 | G | 24.8 | Very low | 34.3 | Very low | 83 Ų | 83 | 141.1 Ų | 141.1 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -172.8 | 133.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 50 | E | 27.6 | Very low | 33.8 | Very low | 187 Ų | 187 | 140.5 Ų | 140.5 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -113.4 | -178.9 | 178.5 | -122.2 | -158.7 | 117.7 | 0 | 0 | 109.6 | ||||
| 51 | P | 49.3 | Very low | 33.4 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 66% | 0.662 | 81% | 0.81 | S | S | * | * | cis | -134.7 | -178.9 | -15.3 | 40.3 | -24.9 | 0 | 0 | 0 | 113.9 | ||||
| 52 | A | 28.6 | Very low | 32.9 | Very low | 86 Ų | 86 | 136.8 Ų | 136.8 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | 169.5 | 119.9 | 124.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 53 | K | 29.4 | Very low | 33.6 | Very low | 199 Ų | 199 | 137 Ų | 137 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | trans | 53.2 | 110.6 | 137 | -59.7 | 177 | -180 | 174.9 | 0 | 121.7 | ||||
| 54 | R | 30.5 | Very low | 33.6 | Very low | 231 Ų | 231 | 143.1 Ų | 143.1 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | -173.9 | 125.4 | 99.3 | -91.8 | 165.6 | -167 | -154.9 | 2.8 | 108.3 | |||||
| 55 | Q | 28.5 | Very low | 32.7 | Very low | 187 Ų | 187 | 140.5 Ų | 140.5 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | 53.1 | 129.7 | 90.8 | -86.4 | -178.4 | -28.1 | 0 | 0 | 114.5 | |||||
| 56 | A | 26.9 | Very low | 32.7 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | cis | -145.3 | -174.8 | 9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 57 | K | 35.3 | Very low | 32.7 | Very low | 205 Ų | 205 | 141.9 Ų | 141.9 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | trans | -99.2 | 166.4 | -169.8 | -103.3 | -171.2 | 173.8 | -178 | 0 | 114 | ||||
| 58 | P | 52.5 | Low | 32.1 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 67% | 0.669 | 81% | 0.814 | S | S | * | * | trans | -94.6 | -178 | -172.8 | 40.5 | -38.3 | 0 | 0 | 0 | 113.1 | ||||
| 59 | W | 27.8 | Very low | 33.2 | Very low | 260 Ų | 260 | 148.2 Ų | 148.2 | 99% | 0.985 | 81% | 0.811 | S | S | * | * | trans | -154.8 | 170.7 | 135.7 | -111.3 | -35.2 | 0 | 0 | 0 | 115.4 | ||||
| 60 | S | 31.2 | Very low | 33.6 | Very low | 109 Ų | 109 | 150.3 Ų | 150.3 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -110.5 | 153.8 | -175 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 61 | G | 26.4 | Very low | 34.5 | Very low | 83 Ų | 83 | 146.8 Ų | 146.8 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | 166.3 | 122.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 62 | S | 32.3 | Very low | 34.2 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -107.9 | 150.9 | 155 | -164.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 63 | P | 42.4 | Very low | 35.1 | Very low | 121 Ų | 121 | 152.7 Ų | 152.7 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | -154.2 | 148.2 | 95.1 | 38.7 | -20.2 | 0 | 0 | 0 | 117.9 | |||||
| 64 | R | 31 | Very low | 35.3 | Very low | 244 Ų | 244 | 146.5 Ų | 146.5 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | 42.6 | 116.4 | 133.1 | -175.3 | -174.7 | -80 | -122.5 | -1.9 | 121 | ||||
| 65 | G | 27.1 | Very low | 36.1 | Very low | 68 Ų | 68 | 140 Ų | 140 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | 127.2 | 156.4 | 116.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 66 | S | 31.1 | Very low | 36.3 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | 71.6 | 138.3 | 167.8 | 170.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 67 | K | 32.8 | Very low | 36.7 | Very low | 179 Ų | 179 | 139.3 Ų | 139.3 | 78% | 0.778 | 79% | 0.792 | S | S | * | * | cis | -162.6 | 162.7 | -6.5 | -106 | 178.7 | 179.6 | -178.2 | 0 | 110.1 | ||||
| 68 | F | 31.1 | Very low | 36.6 | Very low | 173 Ų | 173 | 134 Ų | 134 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -1.5 | 141.2 | 157.1 | -64.8 | -101.8 | 0 | 0 | 0 | 120.8 | ||||
| 69 | M | 49.3 | Very low | 35.6 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 83% | 0.833 | 79% | 0.787 | S | S | * | * | -163.4 | 133.6 | 104.8 | -85.8 | -134.3 | 68.1 | 0 | 0 | 111.6 | |||||
| 70 | D | 35 | Very low | 35.9 | Very low | 128 Ų | 128 | 131 Ų | 131 | 68% | 0.684 | 78% | 0.778 | S | S | * | * | trans | -101.3 | 162.6 | 167.9 | -53.4 | -80.1 | 0 | 0 | 0 | 109.9 | ||||
| 71 | S | 46.7 | Very low | 36.1 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -159 | 90.4 | 171.1 | -72.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 72 | D | 42 | Very low | 36.8 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | trans | -88.6 | 137.3 | 158.8 | -72.1 | -56.2 | 0 | 0 | 0 | 109.9 | ||||
| 73 | T | 47.5 | Very low | 37.5 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 91% | 0.908 | 77% | 0.774 | S | S | * | * | trans | -146 | 127.3 | 160.4 | -54.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 74 | G | 34.6 | Very low | 37 | Very low | 68 Ų | 68 | 136.6 Ų | 136.6 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | -151.9 | 146.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 75 | S | 45.8 | Very low | 37 | Very low | 95 Ų | 95 | 130 Ų | 130 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | trans | -168.9 | 118.5 | 175.7 | -86.1 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 76 | E | 33.8 | Very low | 37.4 | Very low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | 68.8 | 139.6 | 74.8 | 98.9 | -160.1 | 83.8 | 0 | 0 | 113.4 | |||||
| 77 | S | 33.8 | Very low | 37.4 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | cis | -169.2 | 179 | -13.8 | -100.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 78 | S | 33.2 | Very low | 37.4 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | trans | 74.7 | 123.3 | 164.3 | -64.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 79 | E | 33.3 | Very low | 37.6 | Very low | 169 Ų | 169 | 126.6 Ų | 126.6 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | 80.7 | 131.5 | 66.2 | -73 | 162.2 | 106.5 | 0 | 0 | 113 | |||||
| 80 | V | 32.5 | Very low | 36.9 | Very low | 132 Ų | 132 | 124.4 Ų | 124.4 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | cis | -146.6 | -172.2 | 0 | -93.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 81 | S | 36.9 | Very low | 36.9 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | cis | -159.9 | 176.5 | 24.7 | -53.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 82 | E | 40.4 | Very low | 36.4 | Very low | 181 Ų | 181 | 127.6 Ų | 127.6 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -97.6 | 177.7 | 164.4 | -52.2 | -164.5 | 147.5 | 0 | 0 | 112.3 | ||||
| 83 | P | 47.6 | Very low | 36.4 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | -148.6 | 159.6 | 78.8 | 41.6 | -24.5 | 0 | 0 | 0 | 117.7 | |||||
| 84 | D | 31.1 | Very low | 36 | Very low | 142 Ų | 142 | 129.7 Ų | 129.7 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | 56.9 | 153.6 | 139.5 | -76.9 | -32 | 0 | 0 | 0 | 122.5 | ||||
| 85 | C | 32 | Very low | 36.4 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 72% | 0.716 | 78% | 0.781 | S | S | * | * | cis | -172.5 | 142.7 | -30.2 | -130.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 86 | S | 34 | Very low | 36.7 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | trans | 179.7 | 146.5 | 150.9 | -86.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 87 | A | 31.8 | Very low | 37 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 88% | 0.884 | 77% | 0.77 | S | S | * | * | trans | -123.6 | 152.4 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 88 | A | 33.4 | Very low | 37.5 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | trans | -149.1 | 134.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 89 | S | 34.5 | Very low | 38.1 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -117.2 | 146.4 | -173.1 | 50.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 90 | T | 34.2 | Very low | 38.6 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | trans | -175.4 | 139.7 | 135.5 | 27 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 91 | E | 35.9 | Very low | 39.3 | Very low | 179 Ų | 179 | 129.8 Ų | 129.8 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | trans | 47.9 | 89 | 146.1 | -60 | 172.8 | -175.8 | 0 | 0 | 117.3 | ||||
| 92 | D | 35.8 | Very low | 39.9 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | 68.5 | 131.6 | 65.6 | -162.7 | 28 | 0 | 0 | 0 | 116.6 | |||||
| 93 | K | 43 | Very low | 40.3 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 64% | 0.643 | 72% | 0.72 | S | S | * | * | trans | 55.9 | 70 | 168.3 | -80.8 | 160.9 | -158.9 | 71.5 | 0 | 119.3 | R95 | K93-R95 VanDerWaalsContact C-N 3.35Å; K93-R95 PolarHBondContact O-N 3.04Å | ||
| 94 | F | 38.1 | Very low | 40.4 | Very low | 209 Ų | 209 | 131.4 Ų | 131.4 | 92% | 0.917 | 72% | 0.724 | S | S | * | * | trans | -58.6 | 96.6 | 136.9 | -95 | -93.2 | 0 | 0 | 0 | 110.2 | ||||
| 95 | R | 44 | Very low | 41.6 | Very low | 227 Ų | 227 | 131.2 Ų | 131.2 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | trans | -108.6 | 46.2 | -179.3 | -153.1 | -177.7 | -170.8 | -170.5 | 2.6 | 113.2 | K93 | K93-R95 VanDerWaalsContact C-N 3.35Å; K93-R95 PolarHBondContact O-N 3.04Å | ||
| 96 | L | 50.5 | Low | 43 | Very low | 135 Ų | 135 | 129 Ų | 129 | 71% | 0.707 | 71% | 0.712 | S | S | * | * | trans | -119.7 | 5.7 | -177.3 | -81.2 | 169.8 | 0 | 0 | 0 | 114.8 | S100 | L96-S100 PolarHBondContact O-OG 2.89Š| ||
| 97 | D | 40.8 | Very low | 45 | Very low | 97 Ų | 97 | 123.8 Ų | 123.8 | 52% | 0.519 | 67% | 0.673 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.8 | 30.8 | -165.5 | -166.1 | 26.9 | 0 | 0 | 0 | 114.9 | K101 | D97-K101 PolarHBondContact O-NZ 3.04Å; D97-K101 WeakPolarHBondContact OD1-CE 3.22Å; D97-K101 IonicContact OD1-NZ 3.27Å; D97-K101 PolarHBondContact OD1-NZ 3.08Å; D97-K101 VanDerWaalsContact OD2-CE 3.28Å; D97-K101 WeakPolarHBondContact OD2-CE 3.28Å; D97-K101 IonicContact OD2-NZ 2.63Å; D97-K101 PolarHBondContact OD2-NZ 2.9Å |
| 98 | S | 44.8 | Very low | 47.5 | Very low | 95 Ų | 95 | 121.5 Ų | 121.5 | 66% | 0.664 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | -23.3 | 170.5 | -168.3 | 0 | 0 | 0 | 0 | 113.3 | F102 | S98-F102 WeakPolarHBondContact O-CD2 3.49Š|
| 99 | T | 45.7 | Very low | 49.9 | Very low | 98 Ų | 98 | 120.3 Ų | 120.3 | 60% | 0.601 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -40.4 | 178.4 | -23 | 0 | 0 | 0 | 0 | 111.1 | K101 F102 | T99-K101 VanDerWaalsContact C-N 3.31Å; T99-K101 PolarHBondContact O-N 2.88Å; T99-F102 PolarHBondContact O-N 3.45Å |
| 100 | S | 44.1 | Very low | 52.4 | Low | 55 Ų | 55 | 119.9 Ų | 119.9 | 39% | 0.385 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -60.7 | -34.2 | -173.4 | -49.7 | 0 | 0 | 0 | 0 | 114 | L96 F102 L103 L104 | L96-S100 PolarHBondContact O-OG 2.89Å; S100-F102 VanDerWaalsContact C-N 3.28Å; S100-F102 PolarHBondContact O-N 3.37Å; S100-L103 PolarHBondContact O-N 3.32Å; S100-L103 VanDerWaalsContact O-N 3.12Å; S100-L104 PolarHBondContact O-N 3.09Å |
| 101 | K | 46.7 | Very low | 54.9 | Low | 126 Ų | 126 | 116.8 Ų | 116.8 | 55% | 0.548 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70.8 | -20.3 | -178.9 | -67.8 | 172.8 | -174.1 | 135 | 0 | 114 | D97 T99 | D97-K101 PolarHBondContact O-NZ 3.04Å; D97-K101 WeakPolarHBondContact OD1-CE 3.22Å; D97-K101 IonicContact OD1-NZ 3.27Å; D97-K101 PolarHBondContact OD1-NZ 3.08Å; D97-K101 VanDerWaalsContact OD2-CE 3.28Å; D97-K101 WeakPolarHBondContact OD2-CE 3.28Å; D97-K101 IonicContact OD2-NZ 2.63Å; D97-K101 PolarHBondContact OD2-NZ 2.9Å; T99-K101 VanDerWaalsContact C-N 3.31Å; T99-K101 PolarHBondContact O-N 2.88Å |
| 102 | F | 49.5 | Very low | 57.6 | Low | 171 Ų | 171 | 108.2 Ų | 108.2 | 75% | 0.75 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -85.5 | -17.6 | 171.8 | -71.4 | -80.2 | 0 | 0 | 0 | 113 | S98 T99 S100 | S98-F102 WeakPolarHBondContact O-CD2 3.49Å; T99-F102 PolarHBondContact O-N 3.45Å; S100-F102 VanDerWaalsContact C-N 3.28Å; S100-F102 PolarHBondContact O-N 3.37Å |
| 103 | L | 49.7 | Very low | 60.2 | Low | 112 Ų | 112 | 108.1 Ų | 108.1 | 59% | 0.586 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -89.8 | -25.2 | -178.5 | -63.8 | 173.4 | 0 | 0 | 0 | 113.3 | S100 N105 A106 | S100-L103 PolarHBondContact O-N 3.32Å; S100-L103 VanDerWaalsContact O-N 3.12Å; L103-N105 PolarHBondContact O-N 2.85Å; L103-N105 VanDerWaalsContact O-N 3.15Å; L103-A106 WeakPolarHBondContact O-CB 3.21Å; L103-A106 PolarHBondContact O-N 3.36Å |
| 104 | L | 48.4 | Very low | 62.3 | Low | 148 Ų | 148 | 107.9 Ų | 107.9 | 78% | 0.775 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -11.6 | -177.4 | -80 | 166.1 | 0 | 0 | 0 | 115.2 | S100 | S100-L104 PolarHBondContact O-N 3.09Š|
| 105 | N | 55.8 | Low | 64.7 | Low | 138 Ų | 138 | 102 Ų | 102 | 74% | 0.738 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 11.5 | 173.2 | -105.1 | -17.3 | 0 | 0 | 0 | 112.8 | L103 M107 Q153 | L103-N105 PolarHBondContact O-N 2.85Å; L103-N105 VanDerWaalsContact O-N 3.15Å; N105-M107 PolarHBondContact O-N 2.97Å; N105-Q153 PolarHBondContact O-NE2 3.31Å; N105-Q153 PolarHBondContact O-OE1 3.11Å; N105-Q153 VanDerWaalsContact O-OE1 3.1Å |
| 106 | A | 62.6 | Low | 66.8 | Low | 61 Ų | 61 | 92 Ų | 92 | 50% | 0.504 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 117.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L103 A108 Q153 | L103-A106 WeakPolarHBondContact O-CB 3.21Å; L103-A106 PolarHBondContact O-N 3.36Å; A106-A108 PolarHBondContact O-N 3.13Å; A106-A108 VanDerWaalsContact O-N 3.16Å; A106-Q153 VanDerWaalsContact CA-OE1 3.29Å |
| 107 | M | 75 | Confident | 68.9 | Low | 20 Ų | 20 | 86.8 Ų | 86.8 | 10% | 0.099 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 119.3 | 177 | -178.7 | -173.8 | -70.3 | 0 | 0 | 109.3 | N105 D111 H116 K149 Q153 H155 | N105-M107 PolarHBondContact O-N 2.97Å; M107-D111 HydrophobicContact CG-CB 4.04Å; M107-D111 WeakPolarHBondContact CG-OD2 3.43Å; M107-H116 WeakPolarHBondContact CE-CE1 3.32Å; M107-H116 VanDerWaalsContact CE-NE2 3.3Å; M107-H116 WeakPolarHBondContact CE-NE2 3.44Å; M107-K149 HydrophobicContact CE-CB 4.17Å; M107-Q153 HydrophobicContact CB-CB 3.7Å; M107-Q153 HydrophobicContact CB-CG 3.73Å; M107-Q153 HydrophobicContact CE-CG 4.22Å; M107-H155 PolarHBondContact O-NE2 3.23Å |
| 108 | A | 84.3 | Confident | 71.4 | Confident | 59 Ų | 59 | 84.8 Ų | 84.8 | 49% | 0.488 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 145.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | A106 E110 D111 Y112 | A106-A108 PolarHBondContact O-N 3.13Å; A106-A108 VanDerWaalsContact O-N 3.16Å; A108-E110 PolarHBondContact O-N 2.69Å; A108-D111 WeakPolarHBondContact O-CB 3.5Å; A108-D111 PolarHBondContact O-N 2.62Å; A108-Y112 PolarHBondContact O-N 3.07Å; A108-Y112 VanDerWaalsContact O-N 3.09Å |
| 109 | I | 85.3 | Confident | 73.6 | Confident | 85 Ų | 85 | 83.6 Ų | 83.6 | 44% | 0.436 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -53 | -32.2 | 176.2 | -64.4 | 169.2 | 0 | 0 | 0 | 110.9 | Y112 R113 L158 | I109-Y112 WeakPolarHBondContact O-CB 3.41Å; I109-Y112 PolarHBondContact O-N 3.4Å; I109-R113 HydrophobicContact CG2-CG 4.36Å; I109-R113 WeakPolarHBondContact O-CB 3.2Å; I109-R113 WeakPolarHBondContact O-CG 3.25Å; I109-R113 PolarHBondContact O-N 3.41Å; I109-L158 HydrophobicContact CG2-CD2 4.35Å |
| 110 | E | 86.8 | Confident | 75.9 | Confident | 103 Ų | 103 | 78.9 Ų | 78.9 | 48% | 0.481 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -75.8 | -25.1 | 178.6 | -42.8 | -49.2 | 157.4 | 0 | 0 | 114.1 | A108 K114 | A108-E110 PolarHBondContact O-N 2.69Å; E110-K114 VanDerWaalsContact O-CB 3.25Å; E110-K114 WeakPolarHBondContact O-CB 3.38Å; E110-K114 WeakPolarHBondContact O-CD 3.46Å; E110-K114 WeakPolarHBondContact O-CG 3.43Å; E110-K114 PolarHBondContact O-N 2.83Å; E110-K114 VanDerWaalsContact O-N 3.08Å |
| 111 | D | 87 | Confident | 78.2 | Confident | 58 Ų | 58 | 79.4 Ų | 79.4 | 31% | 0.31 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -78 | -34.9 | 171.9 | -176.7 | 61.8 | 0 | 0 | 0 | 111 | M107 A108 N115 H116 | M107-D111 HydrophobicContact CG-CB 4.04Å; M107-D111 WeakPolarHBondContact CG-OD2 3.43Å; A108-D111 WeakPolarHBondContact O-CB 3.5Å; A108-D111 PolarHBondContact O-N 2.62Å; D111-N115 WeakPolarHBondContact O-CB 3.39Å; D111-N115 PolarHBondContact O-N 3.1Å; D111-N115 PolarHBondContact OD1-ND2 2.99Å; D111-H116 PolarHBondContact O-N 3.18Å; D111-H116 PolarHBondContact O-ND1 2.77Å; D111-H116 VanDerWaalsContact O-ND1 3.11Å; D111-H116 IonicContact OD2-CE1 3.36Å; D111-H116 PolarHBondContact OD2-CE1 3.27Å; D111-H116 IonicContact OD2-ND1 3.66Å; D111-H116 PolarHBondContact OD2-ND1 3.14Å |
| 112 | Y | 91.6 | Very high | 80.4 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 40% | 0.399 | C | S | . | . | I | π-helix | trans | -58 | -57.6 | 165.5 | 169.3 | -95 | 0 | 0 | 0 | 110.5 | A108 I109 K114 H116 W117 C150 H155 L158 L159 D162 | A108-Y112 PolarHBondContact O-N 3.07Å; A108-Y112 VanDerWaalsContact O-N 3.09Å; I109-Y112 WeakPolarHBondContact O-CB 3.41Å; I109-Y112 PolarHBondContact O-N 3.4Å; Y112-K114 VanDerWaalsContact C-N 3.32Å; Y112-K114 PolarHBondContact O-N 2.84Å; Y112-H116 HydrophobicContact CD2-CB 4.41Å; Y112-H116 PolarHBondContact O-N 3.11Å; Y112-H116 VanDerWaalsContact O-N 3.14Å; Y112-W117 HydrophobicContact CD1-CB 4.42Å; Y112-W117 HydrophobicContact CE1-CB 3.93Å; Y112-W117 HydrophobicContact CE1-CG 4.45Å; Y112-W117 HydrophobicContact CE2-CB 4.26Å; Y112-W117 PolarHBondContact O-N 3.41Å; Y112-W117 VanDerWaalsContact OH-CE3 3.3Å; Y112-C150 HydrophobicContact CD2-CB 4.34Å; Y112-C150 HydrophobicContact CE2-CB 4.32Å; Y112-H155 HydrophobicContact CD2-CB 4.33Å; Y112-L158 HydrophobicContact CD1-CD2 3.52Å; Y112-L158 HydrophobicContact CD1-CG 4.2Å; Y112-L158 HydrophobicContact CE1-CD1 4.43Å; Y112-L158 HydrophobicContact CE1-CD2 3.44Å; Y112-L158 VanDerWaalsContact CE1-CD2 3.44Å; Y112-L158 HydrophobicContact CE1-CG 3.59Å; Y112-L158 HydrophobicContact CG-CD2 4.36Å; Y112-L159 HydrophobicContact CE2-CB 4.44Å; Y112-L159 HydrophobicContact CE2-CD1 4.23Å; Y112-L159 WeakPolarHBondContact OH-CA 3.24Å; Y112-D162 WeakPolarHBondContact CE1-OD2 3.36Å; Y112-D162 PolarHBondContact OH-OD2 2.99Å |
| 113 | R | 90.3 | Very high | 82.4 | Confident | 125 Ų | 125 | 70 Ų | 70 | 47% | 0.472 | 37% | 0.365 | S | S | . | . | I | π-helix | trans | -62.8 | -29.7 | -175.5 | -75.1 | -176.6 | -179.8 | -71.7 | -6 | 114.6 | I109 P118 | I109-R113 HydrophobicContact CG2-CG 4.36Å; I109-R113 WeakPolarHBondContact O-CB 3.2Å; I109-R113 WeakPolarHBondContact O-CG 3.25Å; I109-R113 PolarHBondContact O-N 3.41Å; R113-P118 WeakPolarHBondContact O-CD 3.33Å; R113-P118 WeakPolarHBondContact O-CG 3.47Å |
| 114 | K | 88.4 | Confident | 84.4 | Confident | 143 Ų | 143 | 64.8 Ų | 64.8 | 62% | 0.622 | 34% | 0.337 | S | S | * | . | I | π-helix | trans | -99.2 | -37.8 | -175.6 | -65.9 | 170.5 | -172.6 | 172.6 | 0 | 113.9 | E110 Y112 | E110-K114 VanDerWaalsContact O-CB 3.25Å; E110-K114 WeakPolarHBondContact O-CB 3.38Å; E110-K114 WeakPolarHBondContact O-CD 3.46Å; E110-K114 WeakPolarHBondContact O-CG 3.43Å; E110-K114 PolarHBondContact O-N 2.83Å; E110-K114 VanDerWaalsContact O-N 3.08Å; Y112-K114 VanDerWaalsContact C-N 3.32Å; Y112-K114 PolarHBondContact O-N 2.84Å |
| 115 | N | 86.5 | Confident | 86.5 | Confident | 87 Ų | 87 | 60 Ų | 60 | 47% | 0.465 | 31% | 0.313 | S | S | . | . | I | π-helix | trans | -114.8 | -19.7 | -167.3 | -60.7 | -32.2 | 0 | 0 | 0 | 113.6 | D111 N119 | D111-N115 WeakPolarHBondContact O-CB 3.39Å; D111-N115 PolarHBondContact O-N 3.1Å; D111-N115 PolarHBondContact OD1-ND2 2.99Å; N115-N119 PolarHBondContact O-ND2 2.88Å |
| 116 | H | 88.8 | Confident | 88.1 | Confident | 15 Ų | 15 | 57.8 Ų | 57.8 | 7% | 0.069 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -110.5 | -55.9 | -177.3 | -64.4 | 74.9 | 0 | 0 | 0 | 112.2 | M107 D111 Y112 N119 L120 Y146 | M107-H116 WeakPolarHBondContact CE-CE1 3.32Å; M107-H116 VanDerWaalsContact CE-NE2 3.3Å; M107-H116 WeakPolarHBondContact CE-NE2 3.44Å; D111-H116 PolarHBondContact O-N 3.18Å; D111-H116 PolarHBondContact O-ND1 2.77Å; D111-H116 VanDerWaalsContact O-ND1 3.11Å; D111-H116 IonicContact OD2-CE1 3.36Å; D111-H116 PolarHBondContact OD2-CE1 3.27Å; D111-H116 IonicContact OD2-ND1 3.66Å; D111-H116 PolarHBondContact OD2-ND1 3.14Å; Y112-H116 HydrophobicContact CD2-CB 4.41Å; Y112-H116 PolarHBondContact O-N 3.11Å; Y112-H116 VanDerWaalsContact O-N 3.14Å; H116-N119 PolarHBondContact O-N 3.16Å; H116-L120 PolarHBondContact O-N 3.46Å; H116-Y146 AromaticContact CD2-CD1 3.7Å |
| 117 | W | 94.1 | Very high | 89.4 | Confident | 26 Ų | 26 | 55.5 Ų | 55.5 | 10% | 0.098 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.2 | -46 | -177.5 | 175.4 | -100.9 | 0 | 0 | 0 | 113.8 | Y112 N119 L120 E121 I124 L159 D162 K166 | Y112-W117 HydrophobicContact CD1-CB 4.42Å; Y112-W117 HydrophobicContact CE1-CB 3.93Å; Y112-W117 HydrophobicContact CE1-CG 4.45Å; Y112-W117 HydrophobicContact CE2-CB 4.26Å; Y112-W117 PolarHBondContact O-N 3.41Å; Y112-W117 VanDerWaalsContact OH-CE3 3.3Å; W117-N119 VanDerWaalsContact C-N 3.27Å; W117-N119 PolarHBondContact O-N 2.73Å; W117-L120 HydrophobicContact CE3-CB 4.26Å; W117-L120 HydrophobicContact CZ3-CB 4.46Å; W117-L120 CarbonylContact O-C 3.51Å; W117-L120 WeakPolarHBondContact O-CA 3.49Å; W117-L120 WeakPolarHBondContact O-CB 3.21Å; W117-L120 PolarHBondContact O-N 3Å; W117-E121 HydrophobicContact CD2-CB 4.49Å; W117-E121 HydrophobicContact CZ2-CB 3.81Å; W117-E121 HydrophobicContact CZ2-CG 3.82Å; W117-E121 PolarHBondContact NE1-OE2 3.09Å; W117-E121 WeakPolarHBondContact O-CB 3.01Å; W117-E121 PolarHBondContact O-N 3.31Å; W117-I124 HydrophobicContact CH2-CD1 3.86Å; W117-I124 HydrophobicContact CZ3-CD1 4.18Å; W117-L159 HydrophobicContact CE3-CD1 3.99Å; W117-L159 HydrophobicContact CZ3-CD1 3.96Å; W117-D162 HydrophobicContact CD2-CB 3.96Å; W117-D162 HydrophobicContact CE3-CB 3.75Å; W117-D162 VanDerWaalsContact CH2-C 3.44Å; W117-D162 HydrophobicContact CH2-CB 3.63Å; W117-D162 HydrophobicContact CZ2-CB 3.83Å; W117-D162 HydrophobicContact CZ3-CB 3.58Å; W117-K166 HydrophobicContact CH2-CB 4.18Å; W117-K166 HydrophobicContact CZ2-CB 4.12Å; W117-K166 HydrophobicContact CZ2-CG 4.43Å |
| 118 | P | 93.8 | Very high | 90.1 | Very high | 55 Ų | 55 | 54.5 Ų | 54.5 | 36% | 0.357 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.3 | -34.4 | -177.8 | -26.2 | 37 | 0 | 0 | 0 | 113.7 | R113 E121 E122 | R113-P118 WeakPolarHBondContact O-CD 3.33Å; R113-P118 WeakPolarHBondContact O-CG 3.47Å; P118-E121 PolarHBondContact O-N 2.75Å; P118-E122 PolarHBondContact O-N 2.98Å |
| 119 | N | 91.3 | Very high | 90.2 | Very high | 70 Ų | 70 | 56.6 Ų | 56.6 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -71.2 | -31.6 | 175.1 | -69.8 | -65.8 | 0 | 0 | 0 | 112.5 | N115 H116 W117 A123 Y146 | N115-N119 PolarHBondContact O-ND2 2.88Å; H116-N119 PolarHBondContact O-N 3.16Å; W117-N119 VanDerWaalsContact C-N 3.27Å; W117-N119 PolarHBondContact O-N 2.73Å; N119-A123 WeakPolarHBondContact O-CB 3.49Å; N119-A123 PolarHBondContact O-N 3.37Å; N119-Y146 HydrophobicContact CB-CD2 4.1Å; N119-Y146 HydrophobicContact CB-CE2 3.59Å |
| 120 | L | 93.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.2 | -41.7 | 171.6 | -70.3 | 173.2 | 0 | 0 | 0 | 111.2 | H116 W117 A123 I124 I143 Y146 V147 L159 | H116-L120 PolarHBondContact O-N 3.46Å; W117-L120 HydrophobicContact CE3-CB 4.26Å; W117-L120 HydrophobicContact CZ3-CB 4.46Å; W117-L120 CarbonylContact O-C 3.51Å; W117-L120 WeakPolarHBondContact O-CA 3.49Å; W117-L120 WeakPolarHBondContact O-CB 3.21Å; W117-L120 PolarHBondContact O-N 3Å; L120-A123 WeakPolarHBondContact O-CB 3.22Å; L120-A123 PolarHBondContact O-N 3.32Å; L120-I124 WeakPolarHBondContact O-CD1 3.38Å; L120-I124 VanDerWaalsContact O-CG1 3.22Å; L120-I124 WeakPolarHBondContact O-CG1 3.36Å; L120-I124 PolarHBondContact O-N 3.16Å; L120-I143 HydrophobicContact CD2-CG2 3.51Å; L120-Y146 HydrophobicContact CD2-CD2 4.46Å; L120-V147 HydrophobicContact CD2-CG2 3.86Å; L120-L159 HydrophobicContact CD1-CD1 3.69Å |
| 121 | E | 94.2 | Very high | 88.1 | Confident | 65 Ų | 65 | 54.1 Ų | 54.1 | 30% | 0.304 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.9 | -48.7 | -179 | -167.3 | 178.6 | 164 | 0 | 0 | 111.6 | W117 P118 A123 I124 D125 K166 | W117-E121 HydrophobicContact CD2-CB 4.49Å; W117-E121 HydrophobicContact CZ2-CB 3.81Å; W117-E121 HydrophobicContact CZ2-CG 3.82Å; W117-E121 PolarHBondContact NE1-OE2 3.09Å; W117-E121 WeakPolarHBondContact O-CB 3.01Å; W117-E121 PolarHBondContact O-N 3.31Å; P118-E121 PolarHBondContact O-N 2.75Å; E121-A123 VanDerWaalsContact C-N 3.29Å; E121-A123 PolarHBondContact O-N 3.2Å; E121-I124 PolarHBondContact O-N 3.42Å; E121-I124 VanDerWaalsContact O-N 3.15Å; E121-D125 PolarHBondContact O-N 3.22Å; E121-K166 HydrophobicContact CG-CD 3.67Å; E121-K166 HydrophobicContact CG-CG 4.17Å; E121-K166 WeakPolarHBondContact OE1-CD 3.4Å; E121-K166 WeakPolarHBondContact OE1-CE 3.42Å; E121-K166 IonicContact OE1-NZ 2.69Å; E121-K166 PolarHBondContact OE1-NZ 2.96Å |
| 122 | E | 91.4 | Very high | 86.6 | Confident | 96 Ų | 96 | 56.8 Ų | 56.8 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 176.1 | -165.6 | -169.3 | 171.2 | 0 | 0 | 111.6 | P118 D125 R126 | P118-E122 PolarHBondContact O-N 2.98Å; E122-D125 PolarHBondContact O-N 3.01Å; E122-R126 WeakPolarHBondContact O-CB 3.31Å; E122-R126 VanDerWaalsContact O-CG 3.25Å; E122-R126 WeakPolarHBondContact O-CG 3.37Å; E122-R126 PolarHBondContact O-N 2.94Å; E122-R126 IonicContact OE1-CZ 3.34Å; E122-R126 IonicContact OE1-NE 3.21Å; E122-R126 PolarHBondContact OE1-NE 3.4Å; E122-R126 IonicContact OE1-NH2 2.66Å; E122-R126 PolarHBondContact OE1-NH2 3.03Å |
| 123 | A | 91.3 | Very high | 84.7 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N119 L120 E121 L127 V138 I143 | N119-A123 WeakPolarHBondContact O-CB 3.49Å; N119-A123 PolarHBondContact O-N 3.37Å; L120-A123 WeakPolarHBondContact O-CB 3.22Å; L120-A123 PolarHBondContact O-N 3.32Å; E121-A123 VanDerWaalsContact C-N 3.29Å; E121-A123 PolarHBondContact O-N 3.2Å; A123-L127 WeakPolarHBondContact O-CB 3.27Å; A123-L127 VanDerWaalsContact O-CG 3.28Å; A123-L127 WeakPolarHBondContact O-CG 3.39Å; A123-L127 PolarHBondContact O-N 2.68Å; A123-V138 HydrophobicContact CB-CG1 3.81Å; A123-I143 HydrophobicContact CB-CD1 4.07Å; A123-I143 HydrophobicContact CB-CG1 4.01Å; A123-I143 HydrophobicContact CB-CG2 3.96Å |
| 124 | I | 92.9 | Very high | 83.1 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 174.9 | -68 | 157.3 | 0 | 0 | 0 | 110.5 | W117 L120 E121 R126 L127 L128 L163 K166 I167 F208 | W117-I124 HydrophobicContact CH2-CD1 3.86Å; W117-I124 HydrophobicContact CZ3-CD1 4.18Å; L120-I124 WeakPolarHBondContact O-CD1 3.38Å; L120-I124 VanDerWaalsContact O-CG1 3.22Å; L120-I124 WeakPolarHBondContact O-CG1 3.36Å; L120-I124 PolarHBondContact O-N 3.16Å; E121-I124 PolarHBondContact O-N 3.42Å; E121-I124 VanDerWaalsContact O-N 3.15Å; I124-R126 VanDerWaalsContact C-N 3.33Å; I124-R126 PolarHBondContact O-N 3.33Å; I124-L127 PolarHBondContact O-N 3.44Å; I124-L127 VanDerWaalsContact O-N 3.15Å; I124-L128 HydrophobicContact CG2-CD1 3.67Å; I124-L128 HydrophobicContact CG2-CG 4.24Å; I124-L128 WeakPolarHBondContact O-CG 3.4Å; I124-L128 PolarHBondContact O-N 3.3Å; I124-L163 HydrophobicContact CD1-CD1 3.63Å; I124-L163 HydrophobicContact CG1-CD1 4.2Å; I124-K166 HydrophobicContact CG2-CG 3.99Å; I124-I167 HydrophobicContact CG2-CG1 4.26Å; I124-F208 HydrophobicContact CD1-CE2 4.38Å; I124-F208 HydrophobicContact CD1-CZ 4.04Å; I124-F208 HydrophobicContact CG1-CE2 4.26Å; I124-F208 HydrophobicContact CG1-CZ 4.38Å |
| 125 | D | 91.7 | Very high | 81.5 | Confident | 48 Ų | 48 | 62.1 Ų | 62.1 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.4 | -47.6 | 175.8 | -81.1 | -36.2 | 0 | 0 | 0 | 111.4 | E121 E122 L127 L128 I129 K166 | E121-D125 PolarHBondContact O-N 3.22Å; E122-D125 PolarHBondContact O-N 3.01Å; D125-L127 VanDerWaalsContact C-N 3.35Å; D125-L127 PolarHBondContact O-N 2.86Å; D125-L128 PolarHBondContact O-N 2.93Å; D125-I129 HydrophobicContact CB-CD1 4.48Å; D125-I129 WeakPolarHBondContact O-CB 3.46Å; D125-I129 VanDerWaalsContact O-CG1 3.26Å; D125-I129 WeakPolarHBondContact O-CG1 3.39Å; D125-I129 PolarHBondContact O-N 2.94Å; D125-K166 WeakPolarHBondContact OD1-CE 3.49Å; D125-K166 IonicContact OD1-NZ 3.23Å; D125-K166 PolarHBondContact OD1-NZ 3.43Å; D125-K166 VanDerWaalsContact OD2-CE 3.29Å; D125-K166 WeakPolarHBondContact OD2-CE 3.4Å; D125-K166 IonicContact OD2-NZ 2.63Å; D125-K166 PolarHBondContact OD2-NZ 3.5Å |
| 126 | R | 89.5 | Confident | 80.2 | Confident | 92 Ų | 92 | 60.9 Ų | 60.9 | 35% | 0.347 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 176.6 | -69.3 | 172.4 | -176.1 | -146.6 | 12.8 | 111.7 | E122 I124 L128 I129 Q130 S137 V138 | E122-R126 WeakPolarHBondContact O-CB 3.31Å; E122-R126 VanDerWaalsContact O-CG 3.25Å; E122-R126 WeakPolarHBondContact O-CG 3.37Å; E122-R126 PolarHBondContact O-N 2.94Å; E122-R126 IonicContact OE1-CZ 3.34Å; E122-R126 IonicContact OE1-NE 3.21Å; E122-R126 PolarHBondContact OE1-NE 3.4Å; E122-R126 IonicContact OE1-NH2 2.66Å; E122-R126 PolarHBondContact OE1-NH2 3.03Å; I124-R126 VanDerWaalsContact C-N 3.33Å; I124-R126 PolarHBondContact O-N 3.33Å; R126-L128 PolarHBondContact O-N 3.42Å; R126-I129 PolarHBondContact O-N 2.9Å; R126-Q130 VanDerWaalsContact O-CB 3.25Å; R126-Q130 WeakPolarHBondContact O-CB 3.43Å; R126-Q130 VanDerWaalsContact O-CG 3.3Å; R126-Q130 WeakPolarHBondContact O-CG 3.34Å; R126-Q130 PolarHBondContact O-N 3.12Å; R126-S137 PolarHBondContact NH1-OG 3.43Å; R126-V138 HydrophobicContact CB-CG2 3.83Å; R126-V138 VanDerWaalsContact CD-CG2 3.5Å; R126-V138 HydrophobicContact CG-CG2 4.33Å |
| 127 | L | 90.4 | Very high | 79.1 | Confident | 12 Ų | 12 | 64 Ų | 64 | 6% | 0.063 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70.1 | -26.8 | 177.8 | -72.5 | 176.9 | 0 | 0 | 0 | 113.9 | A123 I124 D125 I143 S200 C203 I204 | A123-L127 WeakPolarHBondContact O-CB 3.27Å; A123-L127 VanDerWaalsContact O-CG 3.28Å; A123-L127 WeakPolarHBondContact O-CG 3.39Å; A123-L127 PolarHBondContact O-N 2.68Å; I124-L127 PolarHBondContact O-N 3.44Å; I124-L127 VanDerWaalsContact O-N 3.15Å; D125-L127 VanDerWaalsContact C-N 3.35Å; D125-L127 PolarHBondContact O-N 2.86Å; L127-I143 HydrophobicContact CD1-CD1 4.28Å; L127-S200 WeakPolarHBondContact O-CB 3.1Å; L127-S200 PolarHBondContact O-OG 3.2Å; L127-C203 HydrophobicContact CD1-CB 4.43Å; L127-C203 HydrophobicContact CD2-CB 3.79Å; L127-I204 HydrophobicContact CB-CD1 4.43Å; L127-I204 HydrophobicContact CB-CG1 4.1Å; L127-I204 HydrophobicContact CD1-CG1 4.01Å |
| 128 | L | 90.2 | Very high | 78 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -80.8 | -32.2 | 174.5 | -69.3 | 168.9 | 0 | 0 | 0 | 112.4 | I124 D125 R126 I167 H170 Q196 Y197 S200 I204 | I124-L128 HydrophobicContact CG2-CD1 3.67Å; I124-L128 HydrophobicContact CG2-CG 4.24Å; I124-L128 WeakPolarHBondContact O-CG 3.4Å; I124-L128 PolarHBondContact O-N 3.3Å; D125-L128 PolarHBondContact O-N 2.93Å; R126-L128 PolarHBondContact O-N 3.42Å; L128-I167 HydrophobicContact CD1-CG1 4.27Å; L128-H170 HydrophobicContact CD1-CB 3.96Å; L128-Q196 PolarHBondContact O-NE2 2.95Å; L128-Y197 HydrophobicContact CD2-CD2 4.13Å; L128-Y197 HydrophobicContact CD2-CE2 4.02Å; L128-S200 WeakPolarHBondContact CA-OG 3.41Å; L128-I204 HydrophobicContact CD2-CD1 3.88Å; L128-I204 HydrophobicContact CG-CD1 4.23Å |
| 129 | I | 85.1 | Confident | 77.5 | Confident | 103 Ų | 103 | 63.8 Ų | 63.8 | 53% | 0.528 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -96.4 | -32.2 | -173.1 | -63.1 | 168.1 | 0 | 0 | 0 | 113.1 | D125 R126 N131 | D125-I129 HydrophobicContact CB-CD1 4.48Å; D125-I129 WeakPolarHBondContact O-CB 3.46Å; D125-I129 VanDerWaalsContact O-CG1 3.26Å; D125-I129 WeakPolarHBondContact O-CG1 3.39Å; D125-I129 PolarHBondContact O-N 2.94Å; R126-I129 PolarHBondContact O-N 2.9Å; I129-N131 PolarHBondContact O-N 2.96Å |
| 130 | Q | 70.2 | Confident | 77.3 | Confident | 43 Ų | 43 | 64.6 Ų | 64.6 | 20% | 0.201 | 33% | 0.332 | C | S | . | . | trans | -70.9 | 126.5 | -176.2 | -75.7 | -159 | -101.1 | 0 | 0 | 112.8 | R126 | R126-Q130 VanDerWaalsContact O-CB 3.25Å; R126-Q130 WeakPolarHBondContact O-CB 3.43Å; R126-Q130 VanDerWaalsContact O-CG 3.3Å; R126-Q130 WeakPolarHBondContact O-CG 3.34Å; R126-Q130 PolarHBondContact O-N 3.12Å | ||
| 131 | N | 58.8 | Low | 77.1 | Confident | 92 Ų | 92 | 68.2 Ų | 68.2 | 49% | 0.492 | 36% | 0.362 | S | S | . | . | trans | -70.2 | 140 | 161.1 | -70.6 | -66.2 | 0 | 0 | 0 | 110.1 | I129 S133 D134 | I129-N131 PolarHBondContact O-N 2.96Å; N131-S133 PolarHBondContact O-N 3.2Å; N131-D134 PolarHBondContact O-N 3.01Å; N131-D134 VanDerWaalsContact O-N 3.08Å | ||
| 132 | F | 54.9 | Low | 76.9 | Confident | 114 Ų | 114 | 71 Ų | 71 | 50% | 0.5 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -5.1 | 178.7 | -69.6 | -30.7 | 0 | 0 | 0 | 115.4 | D134 A199 | F132-D134 VanDerWaalsContact C-N 3.26Å; F132-A199 HydrophobicContact CD2-CB 4.07Å; F132-A199 HydrophobicContact CE2-CB 3.4Å; F132-A199 HydrophobicContact CZ-CB 3.74Å; F132-A199 WeakPolarHBondContact CZ-O 3.42Å |
| 133 | S | 52.9 | Low | 76.9 | Confident | 98 Ų | 98 | 66.7 Ų | 66.7 | 69% | 0.685 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -27.9 | 169.7 | 51.7 | 0 | 0 | 0 | 0 | 113 | N131 | N131-S133 PolarHBondContact O-N 3.2Š|
| 134 | D | 55.4 | Low | 77 | Confident | 92 Ų | 92 | 70.7 Ų | 70.7 | 49% | 0.492 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -103.3 | 132.7 | -166.6 | -58.8 | 0.8 | 0 | 0 | 0 | 109.2 | N131 F132 I136 | N131-D134 PolarHBondContact O-N 3.01Å; N131-D134 VanDerWaalsContact O-N 3.08Å; F132-D134 VanDerWaalsContact C-N 3.26Å; D134-I136 PolarHBondContact O-N 3.41Å |
| 135 | H | 55.4 | Low | 77.1 | Confident | 191 Ų | 191 | 72 Ų | 72 | 88% | 0.884 | 38% | 0.383 | S | S | * | . | trans | -55 | 116.4 | -178.2 | -89.2 | -78.6 | 0 | 0 | 0 | 111.3 | S137 | H135-S137 PolarHBondContact O-N 2.75Å; H135-S137 VanDerWaalsContact O-N 3.1Å | ||
| 136 | I | 59.8 | Low | 77.1 | Confident | 60 Ų | 60 | 72.5 Ų | 72.5 | 31% | 0.308 | 38% | 0.382 | S | S | . | . | trans | -63.4 | 114.7 | -179.3 | -58.7 | 179.3 | 0 | 0 | 0 | 108.6 | D134 V138 Y140 | D134-I136 PolarHBondContact O-N 3.41Å; I136-V138 HydrophobicContact CG2-CB 4.17Å; I136-V138 HydrophobicContact CG2-CG2 4.22Å; I136-V138 PolarHBondContact O-N 2.77Å; I136-Y140 HydrophobicContact CD1-CE2 4.39Å; I136-Y140 VanDerWaalsContact CD1-OH 3.29Å; I136-Y140 WeakPolarHBondContact CD1-OH 3.41Å; I136-Y140 HydrophobicContact CG2-CE2 4.02Å | ||
| 137 | S | 65.8 | Low | 77.4 | Confident | 81 Ų | 81 | 68.1 Ų | 68.1 | 57% | 0.566 | 37% | 0.365 | S | S | * | . | trans | -82.6 | 0.2 | -176 | 58.9 | 0 | 0 | 0 | 0 | 113.5 | R126 H135 | R126-S137 PolarHBondContact NH1-OG 3.43Å; H135-S137 PolarHBondContact O-N 2.75Å; H135-S137 VanDerWaalsContact O-N 3.1Å | ||
| 138 | V | 69.4 | Low | 77.7 | Confident | 22 Ų | 22 | 72.7 Ų | 72.7 | 13% | 0.133 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -100.2 | 126.5 | -172.8 | -158.7 | 0 | 0 | 0 | 0 | 110.5 | A123 R126 I136 Y140 I143 | A123-V138 HydrophobicContact CB-CG1 3.81Å; R126-V138 HydrophobicContact CB-CG2 3.83Å; R126-V138 VanDerWaalsContact CD-CG2 3.5Å; R126-V138 HydrophobicContact CG-CG2 4.33Å; I136-V138 HydrophobicContact CG2-CB 4.17Å; I136-V138 HydrophobicContact CG2-CG2 4.22Å; I136-V138 PolarHBondContact O-N 2.77Å; V138-Y140 PolarHBondContact O-N 3.21Å; V138-Y140 VanDerWaalsContact O-N 3.17Å; V138-I143 HydrophobicContact CB-CD1 4.33Å; V138-I143 HydrophobicContact CG1-CD1 3.55Å; V138-I143 HydrophobicContact CG1-CG1 3.73Å |
| 139 | S | 84.6 | Confident | 77.8 | Confident | 54 Ų | 54 | 77.7 Ų | 77.7 | 38% | 0.378 | 40% | 0.404 | S | S | . | . | trans | -78.5 | 100.4 | 177.2 | -177.7 | 0 | 0 | 0 | 0 | 110.8 | A141 Q142 I143 | S139-A141 PolarHBondContact O-N 2.97Å; S139-Q142 WeakPolarHBondContact O-CA 3.33Å; S139-Q142 WeakPolarHBondContact O-CB 3.4Å; S139-Q142 PolarHBondContact O-N 3.2Å; S139-I143 WeakPolarHBondContact O-CG1 3.23Å; S139-I143 PolarHBondContact O-N 2.73Å | ||
| 140 | Y | 86.4 | Confident | 78.2 | Confident | 87 Ų | 87 | 72.8 Ų | 72.8 | 34% | 0.341 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -46 | -38.7 | 176.2 | -75.9 | -93.3 | 0 | 0 | 0 | 113.6 | I136 V138 Q142 I143 Y144 C203 V207 | I136-Y140 HydrophobicContact CD1-CE2 4.39Å; I136-Y140 VanDerWaalsContact CD1-OH 3.29Å; I136-Y140 WeakPolarHBondContact CD1-OH 3.41Å; I136-Y140 HydrophobicContact CG2-CE2 4.02Å; V138-Y140 PolarHBondContact O-N 3.21Å; V138-Y140 VanDerWaalsContact O-N 3.17Å; Y140-Q142 VanDerWaalsContact C-N 3.34Å; Y140-Q142 PolarHBondContact O-N 3.37Å; Y140-I143 PolarHBondContact O-N 2.87Å; Y140-Y144 WeakPolarHBondContact O-CB 3.21Å; Y140-Y144 PolarHBondContact O-N 3.42Å; Y140-C203 HydrophobicContact CE1-CB 4.11Å; Y140-C203 PolarHBondContact OH-SG 3.44Å; Y140-V207 HydrophobicContact CD1-CG2 3.55Å; Y140-V207 HydrophobicContact CE1-CG2 4Å |
| 141 | A | 88.4 | Confident | 79.3 | Confident | 77 Ų | 77 | 71.4 Ų | 71.4 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -65.5 | -32.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S139 G145 | S139-A141 PolarHBondContact O-N 2.97Å; A141-G145 PolarHBondContact O-N 2.67Å |
| 142 | Q | 89.9 | Confident | 80.9 | Confident | 124 Ų | 124 | 69.8 Ų | 69.8 | 58% | 0.579 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -72.8 | -45.5 | 174 | -68.7 | 176.9 | -33.5 | 0 | 0 | 111.2 | S139 Y140 Y144 G145 Y146 | S139-Q142 WeakPolarHBondContact O-CA 3.33Å; S139-Q142 WeakPolarHBondContact O-CB 3.4Å; S139-Q142 PolarHBondContact O-N 3.2Å; Y140-Q142 VanDerWaalsContact C-N 3.34Å; Y140-Q142 PolarHBondContact O-N 3.37Å; Q142-Y144 PolarHBondContact O-N 2.96Å; Q142-G145 PolarHBondContact O-N 3.4Å; Q142-G145 VanDerWaalsContact O-N 3.17Å; Q142-Y146 HydrophobicContact CB-CE2 4.5Å; Q142-Y146 WeakPolarHBondContact O-CD2 3.22Å; Q142-Y146 PolarHBondContact O-N 2.63Å |
| 143 | I | 92.1 | Very high | 82.6 | Confident | 5 Ų | 5 | 67.2 Ų | 67.2 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.2 | -50.1 | 177.8 | -33.1 | 166.1 | 0 | 0 | 0 | 110 | L120 A123 L127 V138 S139 Y140 G145 Y146 V147 V207 | L120-I143 HydrophobicContact CD2-CG2 3.51Å; A123-I143 HydrophobicContact CB-CD1 4.07Å; A123-I143 HydrophobicContact CB-CG1 4.01Å; A123-I143 HydrophobicContact CB-CG2 3.96Å; L127-I143 HydrophobicContact CD1-CD1 4.28Å; V138-I143 HydrophobicContact CB-CD1 4.33Å; V138-I143 HydrophobicContact CG1-CD1 3.55Å; V138-I143 HydrophobicContact CG1-CG1 3.73Å; S139-I143 WeakPolarHBondContact O-CG1 3.23Å; S139-I143 PolarHBondContact O-N 2.73Å; Y140-I143 PolarHBondContact O-N 2.87Å; I143-G145 VanDerWaalsContact C-N 3.31Å; I143-G145 PolarHBondContact O-N 3.36Å; I143-Y146 PolarHBondContact O-N 3.29Å; I143-Y146 VanDerWaalsContact O-N 3.14Å; I143-V147 WeakPolarHBondContact O-CG2 3.15Å; I143-V147 PolarHBondContact O-N 3.36Å; I143-V207 HydrophobicContact CB-CG1 3.73Å; I143-V207 HydrophobicContact CD1-CG1 4.46Å; I143-V207 HydrophobicContact CD1-CG2 4.2Å; I143-V207 HydrophobicContact CG2-CG1 3.47Å; I143-V207 VanDerWaalsContact CG2-CG1 3.47Å |
| 144 | Y | 94.2 | Very high | 84.4 | Confident | 89 Ų | 89 | 70.7 Ų | 70.7 | 35% | 0.349 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.4 | -40.7 | 176 | 179.5 | -93.3 | 0 | 0 | 0 | 112 | Y140 Q142 Y146 V147 Y148 I209 | Y140-Y144 WeakPolarHBondContact O-CB 3.21Å; Y140-Y144 PolarHBondContact O-N 3.42Å; Q142-Y144 PolarHBondContact O-N 2.96Å; Y144-Y146 VanDerWaalsContact C-N 3.32Å; Y144-Y146 PolarHBondContact O-N 2.85Å; Y144-V147 PolarHBondContact O-N 2.69Å; Y144-Y148 VanDerWaalsContact O-CB 3.32Å; Y144-Y148 WeakPolarHBondContact O-CB 3.44Å; Y144-Y148 PolarHBondContact O-N 3.17Å; Y144-I209 HydrophobicContact CE2-CG2 3.98Å |
| 145 | G | 93.5 | Very high | 86.2 | Confident | 27 Ų | 27 | 67.5 Ų | 67.5 | 28% | 0.278 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.6 | -35.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A141 Q142 I143 K149 | A141-G145 PolarHBondContact O-N 2.67Å; Q142-G145 PolarHBondContact O-N 3.4Å; Q142-G145 VanDerWaalsContact O-N 3.17Å; I143-G145 VanDerWaalsContact C-N 3.31Å; I143-G145 PolarHBondContact O-N 3.36Å; G145-K149 VanDerWaalsContact O-CG 3.28Å; G145-K149 WeakPolarHBondContact O-CG 3.3Å; G145-K149 PolarHBondContact O-N 2.95Å |
| 146 | Y | 93.1 | Very high | 88 | Confident | 59 Ų | 59 | 58.8 Ų | 58.8 | 23% | 0.231 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.2 | -46.3 | 171.9 | -67.3 | -54.6 | 0 | 0 | 0 | 111.7 | H116 N119 L120 Q142 I143 Y144 Y148 K149 C150 | H116-Y146 AromaticContact CD2-CD1 3.7Å; N119-Y146 HydrophobicContact CB-CD2 4.1Å; N119-Y146 HydrophobicContact CB-CE2 3.59Å; L120-Y146 HydrophobicContact CD2-CD2 4.46Å; Q142-Y146 HydrophobicContact CB-CE2 4.5Å; Q142-Y146 WeakPolarHBondContact O-CD2 3.22Å; Q142-Y146 PolarHBondContact O-N 2.63Å; I143-Y146 PolarHBondContact O-N 3.29Å; I143-Y146 VanDerWaalsContact O-N 3.14Å; Y144-Y146 VanDerWaalsContact C-N 3.32Å; Y144-Y146 PolarHBondContact O-N 2.85Å; Y146-Y148 PolarHBondContact O-N 3.14Å; Y146-K149 PolarHBondContact O-N 3.43Å; Y146-C150 PolarHBondContact O-N 2.96Å; Y146-C150 PolarHBondContact O-SG 3.04Å |
| 147 | V | 95.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.9 | -49.7 | 176.2 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | L120 I143 Y144 K149 C150 V151 L159 V207 F208 L211 | L120-V147 HydrophobicContact CD2-CG2 3.86Å; I143-V147 WeakPolarHBondContact O-CG2 3.15Å; I143-V147 PolarHBondContact O-N 3.36Å; Y144-V147 PolarHBondContact O-N 2.69Å; V147-K149 PolarHBondContact O-N 3.46Å; V147-C150 PolarHBondContact O-N 3.28Å; V147-V151 HydrophobicContact CG1-CG2 4.41Å; V147-V151 WeakPolarHBondContact O-CG2 3.35Å; V147-V151 PolarHBondContact O-N 3.43Å; V147-L159 HydrophobicContact CG1-CD2 4.12Å; V147-V207 HydrophobicContact CG2-CG1 4.38Å; V147-F208 HydrophobicContact CG1-CD1 4.09Å; V147-F208 HydrophobicContact CG2-CD1 3.72Å; V147-F208 HydrophobicContact CG2-CE1 3.52Å; V147-F208 HydrophobicContact CG2-CE2 4.34Å; V147-F208 HydrophobicContact CG2-CG 4.24Å; V147-F208 HydrophobicContact CG2-CZ 3.84Å; V147-L211 HydrophobicContact CG1-CB 4.19Å |
| 148 | Y | 95.4 | Very high | 91.2 | Very high | 109 Ų | 109 | 60.4 Ų | 60.4 | 43% | 0.427 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -55.5 | -49.9 | 178 | 177.4 | -94 | 0 | 0 | 0 | 111.5 | Y144 Y146 C150 V151 C152 Y210 | Y144-Y148 VanDerWaalsContact O-CB 3.32Å; Y144-Y148 WeakPolarHBondContact O-CB 3.44Å; Y144-Y148 PolarHBondContact O-N 3.17Å; Y146-Y148 PolarHBondContact O-N 3.14Å; Y148-C150 PolarHBondContact O-N 3.3Å; Y148-V151 PolarHBondContact O-N 3.17Å; Y148-C152 WeakPolarHBondContact O-CB 3.5Å; Y148-C152 PolarHBondContact O-N 3.05Å; Y148-C152 PolarHBondContact O-SG 2.86Å; Y148-Y210 AromaticContact CD2-CD1 3.88Å; Y148-Y210 HydrophobicContact CD2-CD1 3.88Å; Y148-Y210 AromaticContact CD2-CD2 3.94Å; Y148-Y210 HydrophobicContact CD2-CD2 3.94Å; Y148-Y210 AromaticContact CD2-CE1 3.65Å; Y148-Y210 HydrophobicContact CD2-CE1 3.65Å; Y148-Y210 AromaticContact CD2-CE2 3.73Å; Y148-Y210 HydrophobicContact CD2-CE2 3.73Å; Y148-Y210 HydrophobicContact CD2-CG 4.03Å; Y148-Y210 AromaticContact CD2-CZ 3.61Å; Y148-Y210 HydrophobicContact CE2-CD2 4.36Å; Y148-Y210 AromaticContact CE2-CE1 3.99Å; Y148-Y210 HydrophobicContact CE2-CE1 3.99Å; Y148-Y210 AromaticContact CE2-CE2 3.71Å; Y148-Y210 HydrophobicContact CE2-CE2 3.71Å; Y148-Y210 AromaticContact CE2-CZ 3.52Å; Y148-Y210 HydrophobicContact CG-CE1 4.49Å |
| 149 | K | 93.2 | Very high | 92.5 | Very high | 105 Ų | 105 | 59.4 Ų | 59.4 | 46% | 0.457 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.7 | -49.7 | 175.6 | -77.4 | 173.1 | 177.1 | -176.7 | 0 | 111.9 | M107 G145 Y146 V147 V151 C152 Q153 | M107-K149 HydrophobicContact CE-CB 4.17Å; G145-K149 VanDerWaalsContact O-CG 3.28Å; G145-K149 WeakPolarHBondContact O-CG 3.3Å; G145-K149 PolarHBondContact O-N 2.95Å; Y146-K149 PolarHBondContact O-N 3.43Å; V147-K149 PolarHBondContact O-N 3.46Å; K149-V151 VanDerWaalsContact C-N 3.35Å; K149-V151 PolarHBondContact O-N 3.22Å; K149-C152 PolarHBondContact O-N 3.45Å; K149-Q153 WeakPolarHBondContact O-CB 3.39Å; K149-Q153 WeakPolarHBondContact O-CG 3.44Å; K149-Q153 PolarHBondContact O-N 2.92Å |
| 150 | C | 93.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.9 | -43.3 | -177.1 | -62.5 | 0 | 0 | 0 | 0 | 112 | Y112 Y146 V147 Y148 Q153 Q154 H155 L159 | Y112-C150 HydrophobicContact CD2-CB 4.34Å; Y112-C150 HydrophobicContact CE2-CB 4.32Å; Y146-C150 PolarHBondContact O-N 2.96Å; Y146-C150 PolarHBondContact O-SG 3.04Å; V147-C150 PolarHBondContact O-N 3.28Å; Y148-C150 PolarHBondContact O-N 3.3Å; C150-Q153 CarbonylContact O-C 3.47Å; C150-Q153 PolarHBondContact O-N 3.07Å; C150-Q154 PolarHBondContact O-N 2.97Å; C150-H155 PolarHBondContact O-N 3.28Å; C150-L159 HydrophobicContact CB-CD2 3.93Å |
| 151 | V | 93.9 | Very high | 93.6 | Very high | 13 Ų | 13 | 57.1 Ų | 57.1 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69 | -45.4 | 179.2 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | V147 Y148 K149 Q153 Q154 L159 Y210 L211 F214 | V147-V151 HydrophobicContact CG1-CG2 4.41Å; V147-V151 WeakPolarHBondContact O-CG2 3.35Å; V147-V151 PolarHBondContact O-N 3.43Å; Y148-V151 PolarHBondContact O-N 3.17Å; K149-V151 VanDerWaalsContact C-N 3.35Å; K149-V151 PolarHBondContact O-N 3.22Å; V151-Q153 PolarHBondContact O-N 3.48Å; V151-Q154 PolarHBondContact O-N 3.32Å; V151-Q154 VanDerWaalsContact O-N 3.07Å; V151-L159 HydrophobicContact CG2-CD2 4.33Å; V151-Y210 HydrophobicContact CB-CD1 3.72Å; V151-Y210 HydrophobicContact CB-CE1 3.83Å; V151-Y210 HydrophobicContact CG1-CD1 3.63Å; V151-Y210 HydrophobicContact CG1-CE1 3.51Å; V151-Y210 HydrophobicContact CG2-CD1 4.2Å; V151-L211 HydrophobicContact CG2-CB 4.07Å; V151-L211 HydrophobicContact CG2-CD1 3.86Å; V151-F214 HydrophobicContact CG1-CB 3.87Å |
| 152 | C | 92.4 | Very high | 94.1 | Very high | 59 Ų | 59 | 54.9 Ų | 54.9 | 40% | 0.399 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.4 | -27.9 | 174.6 | -70.4 | 0 | 0 | 0 | 0 | 112.8 | Y148 K149 Q154 | Y148-C152 WeakPolarHBondContact O-CB 3.5Å; Y148-C152 PolarHBondContact O-N 3.05Å; Y148-C152 PolarHBondContact O-SG 2.86Å; K149-C152 PolarHBondContact O-N 3.45Å; C152-Q154 VanDerWaalsContact C-N 3.29Å |
| 153 | Q | 90.6 | Very high | 94.4 | Very high | 60 Ų | 60 | 49 Ų | 49 | 28% | 0.28 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 16.4 | 178.8 | -63.2 | -77.3 | 10.3 | 0 | 0 | 113.3 | N105 A106 M107 K149 C150 V151 H155 | N105-Q153 PolarHBondContact O-NE2 3.31Å; N105-Q153 PolarHBondContact O-OE1 3.11Å; N105-Q153 VanDerWaalsContact O-OE1 3.1Å; A106-Q153 VanDerWaalsContact CA-OE1 3.29Å; M107-Q153 HydrophobicContact CB-CB 3.7Å; M107-Q153 HydrophobicContact CB-CG 3.73Å; M107-Q153 HydrophobicContact CE-CG 4.22Å; K149-Q153 WeakPolarHBondContact O-CB 3.39Å; K149-Q153 WeakPolarHBondContact O-CG 3.44Å; K149-Q153 PolarHBondContact O-N 2.92Å; C150-Q153 CarbonylContact O-C 3.47Å; C150-Q153 PolarHBondContact O-N 3.07Å; V151-Q153 PolarHBondContact O-N 3.48Å; Q153-H155 PolarHBondContact O-CD2 3.1Å; Q153-H155 PolarHBondContact O-N 3.41Å |
| 154 | Q | 90.1 | Very high | 94.7 | Very high | 171 Ų | 171 | 49.8 Ų | 49.8 | 80% | 0.799 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 7.5 | 176.1 | -48.3 | -173 | 26.4 | 0 | 0 | 116.2 | C150 V151 C152 S156 | C150-Q154 PolarHBondContact O-N 2.97Å; V151-Q154 PolarHBondContact O-N 3.32Å; V151-Q154 VanDerWaalsContact O-N 3.07Å; C152-Q154 VanDerWaalsContact C-N 3.29Å; Q154-S156 PolarHBondContact O-N 3.43Å; Q154-S156 VanDerWaalsContact O-N 3.13Å |
| 155 | H | 92.7 | Very high | 94.9 | Very high | 25 Ų | 25 | 48.8 Ų | 48.8 | 12% | 0.116 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 19.9 | 176.5 | -64.3 | -62.1 | 0 | 0 | 0 | 113.9 | M107 Y112 C150 Q153 E157 L158 L159 | M107-H155 PolarHBondContact O-NE2 3.23Å; Y112-H155 HydrophobicContact CD2-CB 4.33Å; C150-H155 PolarHBondContact O-N 3.28Å; Q153-H155 PolarHBondContact O-CD2 3.1Å; Q153-H155 PolarHBondContact O-N 3.41Å; H155-E157 PolarHBondContact O-N 3.22Å; H155-L158 PolarHBondContact O-N 2.93Å; H155-L159 WeakPolarHBondContact O-CB 3.45Å; H155-L159 PolarHBondContact O-N 2.89Å |
| 156 | S | 94.9 | Very high | 95.1 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.2 | -40.6 | -173.9 | -43.4 | 0 | 0 | 0 | 0 | 113.8 | Q154 Y160 L211 | Q154-S156 PolarHBondContact O-N 3.43Å; Q154-S156 VanDerWaalsContact O-N 3.13Å; S156-Y160 WeakPolarHBondContact O-CB 3.36Å; S156-Y160 PolarHBondContact O-N 3.49Å; S156-L211 WeakPolarHBondContact O-CD1 3.4Å |
| 157 | E | 95.6 | Very high | 95.3 | Very high | 135 Ų | 135 | 46.3 Ų | 46.3 | 63% | 0.631 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -69 | -43.9 | 178.7 | 177.4 | 167.6 | -177.3 | 0 | 0 | 111.7 | H155 Y160 S161 Y215 | H155-E157 PolarHBondContact O-N 3.22Å; E157-Y160 PolarHBondContact O-N 3.46Å; E157-S161 WeakPolarHBondContact O-CB 3.3Å; E157-S161 PolarHBondContact O-N 2.9Å; E157-Y215 HydrophobicContact CB-CE2 4Å; E157-Y215 WeakPolarHBondContact CB-OH 3.38Å; E157-Y215 WeakPolarHBondContact CG-OH 3.43Å |
| 158 | L | 95.7 | Very high | 95.5 | Very high | 40 Ų | 40 | 47.4 Ų | 47.4 | 21% | 0.209 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -46.6 | 174.7 | 179.4 | 58.4 | 0 | 0 | 0 | 111 | I109 Y112 H155 Y160 S161 D162 | I109-L158 HydrophobicContact CG2-CD2 4.35Å; Y112-L158 HydrophobicContact CD1-CD2 3.52Å; Y112-L158 HydrophobicContact CD1-CG 4.2Å; Y112-L158 HydrophobicContact CE1-CD1 4.43Å; Y112-L158 HydrophobicContact CE1-CD2 3.44Å; Y112-L158 VanDerWaalsContact CE1-CD2 3.44Å; Y112-L158 HydrophobicContact CE1-CG 3.59Å; Y112-L158 HydrophobicContact CG-CD2 4.36Å; H155-L158 PolarHBondContact O-N 2.93Å; L158-Y160 VanDerWaalsContact C-N 3.33Å; L158-Y160 PolarHBondContact O-N 3.02Å; L158-S161 WeakPolarHBondContact O-CB 3.49Å; L158-S161 PolarHBondContact O-N 3.44Å; L158-D162 WeakPolarHBondContact CD1-OD2 2.92Å; L158-D162 WeakPolarHBondContact O-CB 3.4Å; L158-D162 VanDerWaalsContact O-CG 3.27Å; L158-D162 PolarHBondContact O-N 3.34Å |
| 159 | L | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.1 | -38.6 | 177.6 | -179.2 | 63.7 | 0 | 0 | 0 | 112.6 | Y112 W117 L120 V147 C150 V151 H155 L163 F208 L211 | Y112-L159 HydrophobicContact CE2-CB 4.44Å; Y112-L159 HydrophobicContact CE2-CD1 4.23Å; Y112-L159 WeakPolarHBondContact OH-CA 3.24Å; W117-L159 HydrophobicContact CE3-CD1 3.99Å; W117-L159 HydrophobicContact CZ3-CD1 3.96Å; L120-L159 HydrophobicContact CD1-CD1 3.69Å; V147-L159 HydrophobicContact CG1-CD2 4.12Å; C150-L159 HydrophobicContact CB-CD2 3.93Å; V151-L159 HydrophobicContact CG2-CD2 4.33Å; H155-L159 WeakPolarHBondContact O-CB 3.45Å; H155-L159 PolarHBondContact O-N 2.89Å; L159-L163 WeakPolarHBondContact O-CB 3.43Å; L159-L163 PolarHBondContact O-N 3.27Å; L159-F208 HydrophobicContact CD1-CE1 4.1Å; L159-F208 HydrophobicContact CD2-CE1 4.18Å; L159-F208 HydrophobicContact CG-CE1 4.19Å; L159-L211 HydrophobicContact CD2-CD1 4.47Å; L159-L211 HydrophobicContact CD2-CD2 4.17Å; L159-L211 HydrophobicContact CG-CD2 4.14Å |
| 160 | Y | 97.9 | Very high | 95.8 | Very high | 35 Ų | 35 | 41 Ų | 41 | 14% | 0.137 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.2 | -43 | 174.4 | 176.5 | -103.8 | 0 | 0 | 0 | 111.9 | S156 E157 L158 T164 Y215 I216 L220 L224 D227 | S156-Y160 WeakPolarHBondContact O-CB 3.36Å; S156-Y160 PolarHBondContact O-N 3.49Å; E157-Y160 PolarHBondContact O-N 3.46Å; L158-Y160 VanDerWaalsContact C-N 3.33Å; L158-Y160 PolarHBondContact O-N 3.02Å; Y160-T164 HydrophobicContact CD2-CG2 4.16Å; Y160-T164 HydrophobicContact CE1-CG2 4.24Å; Y160-T164 HydrophobicContact CE2-CG2 3.71Å; Y160-T164 WeakPolarHBondContact O-CB 3.4Å; Y160-T164 WeakPolarHBondContact O-CG2 3.39Å; Y160-T164 PolarHBondContact O-N 3.46Å; Y160-T164 PolarHBondContact O-OG1 3.14Å; Y160-Y215 HydrophobicContact CD1-CE1 4.09Å; Y160-Y215 HydrophobicContact CG-CD1 4.41Å; Y160-Y215 AromaticContact CG-CE1 3.99Å; Y160-Y215 HydrophobicContact CG-CE1 3.99Å; Y160-I216 HydrophobicContact CD2-CD1 3.61Å; Y160-I216 HydrophobicContact CD2-CG1 4.02Å; Y160-I216 HydrophobicContact CE2-CD1 3.8Å; Y160-I216 HydrophobicContact CE2-CG1 4.24Å; Y160-L220 HydrophobicContact CE1-CD1 4.25Å; Y160-L224 HydrophobicContact CE2-CD1 4.48Å; Y160-D227 VanDerWaalsContact OH-CG 3.32Å; Y160-D227 PolarHBondContact OH-OD2 2.85Å |
| 161 | S | 97.6 | Very high | 96 | Very high | 59 Ų | 59 | 41.1 Ų | 41.1 | 41% | 0.413 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.3 | -45.6 | 175.3 | -177.1 | 0 | 0 | 0 | 0 | 112 | E157 L158 T164 S165 | E157-S161 WeakPolarHBondContact O-CB 3.3Å; E157-S161 PolarHBondContact O-N 2.9Å; L158-S161 WeakPolarHBondContact O-CB 3.49Å; L158-S161 PolarHBondContact O-N 3.44Å; S161-T164 PolarHBondContact O-OG1 3.38Å; S161-S165 WeakPolarHBondContact O-CB 3.49Å; S161-S165 PolarHBondContact O-N 3.21Å; S161-S165 PolarHBondContact O-OG 2.93Å |
| 162 | D | 97.4 | Very high | 96.2 | Very high | 29 Ų | 29 | 45.1 Ų | 45.1 | 16% | 0.155 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.7 | -42.6 | -179.6 | -66 | -26 | 0 | 0 | 0 | 111.1 | Y112 W117 L158 S165 K166 | Y112-D162 WeakPolarHBondContact CE1-OD2 3.36Å; Y112-D162 PolarHBondContact OH-OD2 2.99Å; W117-D162 HydrophobicContact CD2-CB 3.96Å; W117-D162 HydrophobicContact CE3-CB 3.75Å; W117-D162 VanDerWaalsContact CH2-C 3.44Å; W117-D162 HydrophobicContact CH2-CB 3.63Å; W117-D162 HydrophobicContact CZ2-CB 3.83Å; W117-D162 HydrophobicContact CZ3-CB 3.58Å; L158-D162 WeakPolarHBondContact CD1-OD2 2.92Å; L158-D162 WeakPolarHBondContact O-CB 3.4Å; L158-D162 VanDerWaalsContact O-CG 3.27Å; L158-D162 PolarHBondContact O-N 3.34Å; D162-S165 PolarHBondContact O-N 2.8Å; D162-K166 WeakPolarHBondContact O-CB 3.39Å; D162-K166 PolarHBondContact O-N 2.94Å |
| 163 | L | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.3 | -50.4 | 174.3 | 174.8 | 65 | 0 | 0 | 0 | 112.2 | I124 L159 K166 I167 F208 L211 L224 | I124-L163 HydrophobicContact CD1-CD1 3.63Å; I124-L163 HydrophobicContact CG1-CD1 4.2Å; L159-L163 WeakPolarHBondContact O-CB 3.43Å; L159-L163 PolarHBondContact O-N 3.27Å; L163-K166 PolarHBondContact O-N 3.27Å; L163-I167 HydrophobicContact CD1-CD1 3.63Å; L163-I167 HydrophobicContact CD1-CG1 4.36Å; L163-I167 HydrophobicContact CG-CD1 4.12Å; L163-I167 WeakPolarHBondContact O-CB 3.39Å; L163-I167 WeakPolarHBondContact O-CG1 3.48Å; L163-I167 PolarHBondContact O-N 3.45Å; L163-F208 HydrophobicContact CD1-CE1 4.3Å; L163-F208 HydrophobicContact CD1-CE2 4.06Å; L163-F208 HydrophobicContact CD1-CZ 3.95Å; L163-F208 HydrophobicContact CD2-CD1 3.76Å; L163-F208 HydrophobicContact CD2-CD2 4.4Å; L163-F208 HydrophobicContact CD2-CE1 3.94Å; L163-F208 HydrophobicContact CD2-CG 4Å; L163-F208 HydrophobicContact CD2-CZ 4.38Å; L163-L211 HydrophobicContact CD2-CD2 4.33Å; L163-L224 HydrophobicContact CD2-CD1 4.06Å |
| 164 | T | 97.9 | Very high | 96.6 | Very high | 23 Ų | 23 | 45.9 Ų | 45.9 | 14% | 0.141 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.2 | -37.8 | -179.4 | 50.7 | 0 | 0 | 0 | 0 | 111.7 | Y160 S161 T168 L231 | Y160-T164 HydrophobicContact CD2-CG2 4.16Å; Y160-T164 HydrophobicContact CE1-CG2 4.24Å; Y160-T164 HydrophobicContact CE2-CG2 3.71Å; Y160-T164 WeakPolarHBondContact O-CB 3.4Å; Y160-T164 WeakPolarHBondContact O-CG2 3.39Å; Y160-T164 PolarHBondContact O-N 3.46Å; Y160-T164 PolarHBondContact O-OG1 3.14Å; S161-T164 PolarHBondContact O-OG1 3.38Å; T164-T168 VanDerWaalsContact O-CB 3.23Å; T164-T168 WeakPolarHBondContact O-CB 3.48Å; T164-T168 PolarHBondContact O-N 3.31Å; T164-T168 PolarHBondContact O-OG1 3.45Å; T164-L231 HydrophobicContact CG2-CD1 4.28Å |
| 165 | S | 98.1 | Very high | 97 | Very high | 68 Ų | 68 | 38 Ų | 38 | 48% | 0.476 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.5 | -45.6 | 174 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | S161 D162 T168 A169 | S161-S165 WeakPolarHBondContact O-CB 3.49Å; S161-S165 PolarHBondContact O-N 3.21Å; S161-S165 PolarHBondContact O-OG 2.93Å; D162-S165 PolarHBondContact O-N 2.8Å; S165-T168 PolarHBondContact O-N 3.44Å; S165-A169 PolarHBondContact O-N 3.25Å |
| 166 | K | 97.3 | Very high | 97.1 | Very high | 34 Ų | 34 | 41.2 Ų | 41.2 | 15% | 0.148 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -47.6 | 178.7 | 179.6 | 60.8 | 174.6 | -169.8 | 0 | 112 | W117 E121 I124 D125 D162 L163 A169 H170 | W117-K166 HydrophobicContact CH2-CB 4.18Å; W117-K166 HydrophobicContact CZ2-CB 4.12Å; W117-K166 HydrophobicContact CZ2-CG 4.43Å; E121-K166 HydrophobicContact CG-CD 3.67Å; E121-K166 HydrophobicContact CG-CG 4.17Å; E121-K166 WeakPolarHBondContact OE1-CD 3.4Å; E121-K166 WeakPolarHBondContact OE1-CE 3.42Å; E121-K166 IonicContact OE1-NZ 2.69Å; E121-K166 PolarHBondContact OE1-NZ 2.96Å; I124-K166 HydrophobicContact CG2-CG 3.99Å; D125-K166 WeakPolarHBondContact OD1-CE 3.49Å; D125-K166 IonicContact OD1-NZ 3.23Å; D125-K166 PolarHBondContact OD1-NZ 3.43Å; D125-K166 VanDerWaalsContact OD2-CE 3.29Å; D125-K166 WeakPolarHBondContact OD2-CE 3.4Å; D125-K166 IonicContact OD2-NZ 2.63Å; D125-K166 PolarHBondContact OD2-NZ 3.5Å; D162-K166 WeakPolarHBondContact O-CB 3.39Å; D162-K166 PolarHBondContact O-N 2.94Å; L163-K166 PolarHBondContact O-N 3.27Å; K166-A169 PolarHBondContact O-N 3.42Å; K166-H170 PolarHBondContact O-N 3.17Å |
| 167 | I | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 176.9 | -72.5 | 173 | 0 | 0 | 0 | 110.8 | I124 L128 L163 A169 H170 L171 Y197 I204 L228 L231 | I124-I167 HydrophobicContact CG2-CG1 4.26Å; L128-I167 HydrophobicContact CD1-CG1 4.27Å; L163-I167 HydrophobicContact CD1-CD1 3.63Å; L163-I167 HydrophobicContact CD1-CG1 4.36Å; L163-I167 HydrophobicContact CG-CD1 4.12Å; L163-I167 WeakPolarHBondContact O-CB 3.39Å; L163-I167 WeakPolarHBondContact O-CG1 3.48Å; L163-I167 PolarHBondContact O-N 3.45Å; I167-A169 PolarHBondContact O-N 2.82Å; I167-H170 PolarHBondContact O-N 3.35Å; I167-L171 HydrophobicContact CG2-CD1 3.73Å; I167-L171 HydrophobicContact CG2-CG 4.3Å; I167-L171 WeakPolarHBondContact O-CB 3.3Å; I167-L171 VanDerWaalsContact O-CG 3.24Å; I167-L171 WeakPolarHBondContact O-CG 3.24Å; I167-L171 PolarHBondContact O-N 2.94Å; I167-Y197 HydrophobicContact CG2-CE2 4Å; I167-Y197 VanDerWaalsContact CG2-OH 3.26Å; I167-Y197 WeakPolarHBondContact CG2-OH 3.39Å; I167-I204 HydrophobicContact CD1-CD1 4.47Å; I167-L228 HydrophobicContact CD1-CD1 4Å; I167-L228 HydrophobicContact CD1-CD2 3.6Å; I167-L228 HydrophobicContact CD1-CG 4.44Å; I167-L228 HydrophobicContact CG2-CD2 4.32Å; I167-L231 HydrophobicContact CB-CD1 4.27Å; I167-L231 HydrophobicContact CG2-CD1 3.85Å |
| 168 | T | 98.3 | Very high | 97.1 | Very high | 22 Ų | 22 | 40.4 Ų | 40.4 | 14% | 0.135 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.7 | -44.8 | 175.9 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | T164 S165 H170 L171 Q172 H235 | T164-T168 VanDerWaalsContact O-CB 3.23Å; T164-T168 WeakPolarHBondContact O-CB 3.48Å; T164-T168 PolarHBondContact O-N 3.31Å; T164-T168 PolarHBondContact O-OG1 3.45Å; S165-T168 PolarHBondContact O-N 3.44Å; T168-H170 PolarHBondContact O-N 2.96Å; T168-L171 PolarHBondContact O-N 3.15Å; T168-Q172 HydrophobicContact CG2-CG 4.43Å; T168-Q172 WeakPolarHBondContact O-CG 3.47Å; T168-Q172 PolarHBondContact O-N 3.1Å; T168-H235 WeakPolarHBondContact CG2-NE2 3.22Å |
| 169 | A | 97.9 | Very high | 97 | Very high | 55 Ų | 55 | 43.1 Ų | 43.1 | 46% | 0.455 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S165 K166 I167 Q172 Q173 | S165-A169 PolarHBondContact O-N 3.25Å; K166-A169 PolarHBondContact O-N 3.42Å; I167-A169 PolarHBondContact O-N 2.82Å; A169-Q172 PolarHBondContact O-N 3.45Å; A169-Q173 PolarHBondContact O-N 2.86Å; A169-Q173 VanDerWaalsContact O-N 3.1Å |
| 170 | H | 97.3 | Very high | 96.8 | Very high | 26 Ų | 26 | 47.4 Ų | 47.4 | 12% | 0.12 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62 | -44.4 | 173.2 | 174.9 | 84.2 | 0 | 0 | 0 | 112 | L128 K166 I167 T168 Q172 Q173 V174 | L128-H170 HydrophobicContact CD1-CB 3.96Å; K166-H170 PolarHBondContact O-N 3.17Å; I167-H170 PolarHBondContact O-N 3.35Å; T168-H170 PolarHBondContact O-N 2.96Å; H170-Q172 VanDerWaalsContact C-N 3.35Å; H170-Q172 PolarHBondContact O-N 3.27Å; H170-Q173 WeakPolarHBondContact O-CB 3.41Å; H170-Q173 PolarHBondContact O-N 2.95Å; H170-Q173 VanDerWaalsContact O-N 3.15Å; H170-V174 WeakPolarHBondContact O-CG2 3.27Å; H170-V174 PolarHBondContact O-N 2.71Å |
| 171 | L | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.3 | -37.3 | 178.3 | -70.9 | 169.5 | 0 | 0 | 0 | 112.5 | I167 T168 Q173 V174 S175 Y197 L231 F232 H235 V236 | I167-L171 HydrophobicContact CG2-CD1 3.73Å; I167-L171 HydrophobicContact CG2-CG 4.3Å; I167-L171 WeakPolarHBondContact O-CB 3.3Å; I167-L171 VanDerWaalsContact O-CG 3.24Å; I167-L171 WeakPolarHBondContact O-CG 3.24Å; I167-L171 PolarHBondContact O-N 2.94Å; T168-L171 PolarHBondContact O-N 3.15Å; L171-Q173 VanDerWaalsContact C-N 3.34Å; L171-V174 PolarHBondContact O-N 2.99Å; L171-S175 VanDerWaalsContact O-CB 3.3Å; L171-S175 WeakPolarHBondContact O-CB 3.43Å; L171-S175 PolarHBondContact O-N 3.4Å; L171-Y197 HydrophobicContact CD1-CE2 4.26Å; L171-Y197 HydrophobicContact CD2-CD2 3.87Å; L171-Y197 HydrophobicContact CD2-CE2 3.83Å; L171-Y197 HydrophobicContact CD2-CG 4.32Å; L171-Y197 HydrophobicContact CG-CE2 4.27Å; L171-L231 HydrophobicContact CD1-CB 3.64Å; L171-F232 HydrophobicContact CD1-CB 4.45Å; L171-F232 HydrophobicContact CD2-CB 4.2Å; L171-F232 HydrophobicContact CD2-CD2 3.51Å; L171-F232 HydrophobicContact CD2-CE2 4.3Å; L171-F232 HydrophobicContact CD2-CG 4.23Å; L171-H235 HydrophobicContact CB-CB 4.23Å; L171-V236 HydrophobicContact CB-CG2 3.86Å; L171-V236 HydrophobicContact CD2-CG2 3.73Å; L171-V236 HydrophobicContact CG-CG2 4.37Å; L171-V236 WeakPolarHBondContact O-CG2 3.27Å |
| 172 | Q | 97.6 | Very high | 96.1 | Very high | 98 Ų | 98 | 47.8 Ų | 47.8 | 46% | 0.458 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.2 | -37.6 | 172.8 | -71.4 | 171.5 | -0.2 | 0 | 0 | 111.9 | T168 A169 H170 S175 T176 | T168-Q172 HydrophobicContact CG2-CG 4.43Å; T168-Q172 WeakPolarHBondContact O-CG 3.47Å; T168-Q172 PolarHBondContact O-N 3.1Å; A169-Q172 PolarHBondContact O-N 3.45Å; H170-Q172 VanDerWaalsContact C-N 3.35Å; H170-Q172 PolarHBondContact O-N 3.27Å; Q172-S175 PolarHBondContact O-N 3.39Å; Q172-T176 WeakPolarHBondContact O-CB 3.46Å; Q172-T176 PolarHBondContact O-N 2.94Å; Q172-T176 PolarHBondContact O-OG1 3.32Å |
| 173 | Q | 96.5 | Very high | 95.7 | Very high | 113 Ų | 113 | 50.8 Ų | 50.8 | 53% | 0.528 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.5 | -46.4 | 173.1 | -176.3 | -177 | 1.8 | 0 | 0 | 111.7 | A169 H170 L171 S175 T176 Q177 | A169-Q173 PolarHBondContact O-N 2.86Å; A169-Q173 VanDerWaalsContact O-N 3.1Å; H170-Q173 WeakPolarHBondContact O-CB 3.41Å; H170-Q173 PolarHBondContact O-N 2.95Å; H170-Q173 VanDerWaalsContact O-N 3.15Å; L171-Q173 VanDerWaalsContact C-N 3.34Å; Q173-S175 VanDerWaalsContact C-N 3.35Å; Q173-S175 PolarHBondContact O-N 2.66Å; Q173-T176 WeakPolarHBondContact O-CB 3.49Å; Q173-T176 PolarHBondContact O-N 3.01Å; Q173-Q177 WeakPolarHBondContact O-CG 3.26Å; Q173-Q177 PolarHBondContact O-N 3.05Å |
| 174 | V | 96.4 | Very high | 95.3 | Very high | 21 Ų | 21 | 58.8 Ų | 58.8 | 13% | 0.127 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 175 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | H170 L171 T176 Q177 L178 A193 V236 | H170-V174 WeakPolarHBondContact O-CG2 3.27Å; H170-V174 PolarHBondContact O-N 2.71Å; L171-V174 PolarHBondContact O-N 2.99Å; V174-T176 VanDerWaalsContact C-N 3.34Å; V174-T176 PolarHBondContact O-N 3.37Å; V174-Q177 PolarHBondContact O-N 3.03Å; V174-L178 HydrophobicContact CG1-CD1 4.17Å; V174-L178 WeakPolarHBondContact O-CG 3.37Å; V174-L178 PolarHBondContact O-N 3.13Å; V174-A193 HydrophobicContact CG1-CB 3.72Å; V174-V236 HydrophobicContact CG1-CG1 4.45Å |
| 175 | S | 96.9 | Very high | 95 | Very high | 7 Ų | 7 | 61.6 Ų | 61.6 | 5% | 0.049 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.7 | -45 | 175.3 | -159.3 | 0 | 0 | 0 | 0 | 111.1 | L171 Q172 Q173 Q177 L178 Q179 H235 H240 | L171-S175 VanDerWaalsContact O-CB 3.3Å; L171-S175 WeakPolarHBondContact O-CB 3.43Å; L171-S175 PolarHBondContact O-N 3.4Å; Q172-S175 PolarHBondContact O-N 3.39Å; Q173-S175 VanDerWaalsContact C-N 3.35Å; Q173-S175 PolarHBondContact O-N 2.66Å; S175-Q177 PolarHBondContact O-N 3.21Å; S175-L178 PolarHBondContact O-N 2.68Å; S175-Q179 WeakPolarHBondContact O-CG 3.46Å; S175-Q179 PolarHBondContact O-N 2.63Å; S175-H235 VanDerWaalsContact CB-O 3.27Å; S175-H235 WeakPolarHBondContact CB-O 3.44Å; S175-H235 PolarHBondContact OG-O 3.2Å; S175-H240 PolarHBondContact O-CE1 2.88Å; S175-H240 PolarHBondContact OG-CE1 3.36Å |
| 176 | T | 96.8 | Very high | 94.9 | Very high | 92 Ų | 92 | 58.6 Ų | 58.6 | 56% | 0.564 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.8 | -40.9 | 175.8 | -55.4 | 0 | 0 | 0 | 0 | 112.4 | Q172 Q173 V174 Q179 A180 | Q172-T176 WeakPolarHBondContact O-CB 3.46Å; Q172-T176 PolarHBondContact O-N 2.94Å; Q172-T176 PolarHBondContact O-OG1 3.32Å; Q173-T176 WeakPolarHBondContact O-CB 3.49Å; Q173-T176 PolarHBondContact O-N 3.01Å; V174-T176 VanDerWaalsContact C-N 3.34Å; V174-T176 PolarHBondContact O-N 3.37Å; T176-Q179 PolarHBondContact O-N 2.97Å; T176-A180 WeakPolarHBondContact O-CB 3.28Å; T176-A180 PolarHBondContact O-N 3.37Å |
| 177 | Q | 94.6 | Very high | 94.8 | Very high | 116 Ų | 116 | 57.3 Ų | 57.3 | 54% | 0.542 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 176.8 | -72.4 | 172.3 | -3.3 | 0 | 0 | 112.1 | Q173 V174 S175 A180 S181 | Q173-Q177 WeakPolarHBondContact O-CG 3.26Å; Q173-Q177 PolarHBondContact O-N 3.05Å; V174-Q177 PolarHBondContact O-N 3.03Å; S175-Q177 PolarHBondContact O-N 3.21Å; Q177-A180 PolarHBondContact O-N 2.89Å; Q177-S181 PolarHBondContact O-N 2.76Å |
| 178 | L | 95.3 | Very high | 94.7 | Very high | 10 Ų | 10 | 59.8 Ų | 59.8 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 174.5 | -70.3 | 170.8 | 0 | 0 | 0 | 111.7 | V174 S175 A180 S181 N189 F190 A193 V236 H240 | V174-L178 HydrophobicContact CG1-CD1 4.17Å; V174-L178 WeakPolarHBondContact O-CG 3.37Å; V174-L178 PolarHBondContact O-N 3.13Å; S175-L178 PolarHBondContact O-N 2.68Å; L178-A180 VanDerWaalsContact C-N 3.28Å; L178-A180 PolarHBondContact O-N 2.85Å; L178-S181 WeakPolarHBondContact O-CB 3.32Å; L178-S181 PolarHBondContact O-N 2.8Å; L178-S181 VanDerWaalsContact O-N 3.08Å; L178-S181 PolarHBondContact O-OG 3.33Å; L178-N189 HydrophobicContact CD2-CB 3.61Å; L178-F190 HydrophobicContact CD1-CD2 4.21Å; L178-A193 HydrophobicContact CD1-CB 4.18Å; L178-V236 HydrophobicContact CD1-CG1 3.63Å; L178-H240 VanDerWaalsContact CB-NE2 3.34Å; L178-H240 WeakPolarHBondContact CB-NE2 3.12Å |
| 179 | Q | 93.7 | Very high | 94.6 | Very high | 97 Ų | 97 | 61 Ų | 61 | 45% | 0.453 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63 | -31.5 | 176 | -70.2 | -169.3 | 13.7 | 0 | 0 | 113.2 | S175 T176 S181 E239 H240 | S175-Q179 WeakPolarHBondContact O-CG 3.46Å; S175-Q179 PolarHBondContact O-N 2.63Å; T176-Q179 PolarHBondContact O-N 2.97Å; Q179-S181 VanDerWaalsContact C-N 3.35Å; Q179-E239 PolarHBondContact NE2-OE2 3Å; Q179-H240 VanDerWaalsContact CG-NE2 3.31Å; Q179-H240 WeakPolarHBondContact CG-NE2 3.32Å; Q179-H240 PolarHBondContact N-NE2 3.41Å |
| 180 | A | 92.3 | Very high | 94.5 | Very high | 89 Ų | 89 | 58.5 Ų | 58.5 | 74% | 0.736 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -11.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T176 Q177 L178 | T176-A180 WeakPolarHBondContact O-CB 3.28Å; T176-A180 PolarHBondContact O-N 3.37Å; Q177-A180 PolarHBondContact O-N 2.89Å; L178-A180 VanDerWaalsContact C-N 3.28Å; L178-A180 PolarHBondContact O-N 2.85Å |
| 181 | S | 89.8 | Confident | 94.5 | Very high | 26 Ų | 26 | 58.3 Ų | 58.3 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -82.9 | 150.1 | -177.8 | 82 | 0 | 0 | 0 | 0 | 112.4 | Q177 L178 Q179 T183 N189 | Q177-S181 PolarHBondContact O-N 2.76Å; L178-S181 WeakPolarHBondContact O-CB 3.32Å; L178-S181 PolarHBondContact O-N 2.8Å; L178-S181 VanDerWaalsContact O-N 3.08Å; L178-S181 PolarHBondContact O-OG 3.33Å; Q179-S181 VanDerWaalsContact C-N 3.35Å; S181-T183 PolarHBondContact O-N 3.19Å; S181-N189 VanDerWaalsContact CB-ND2 3.3Å; S181-N189 WeakPolarHBondContact CB-ND2 3.48Å; S181-N189 PolarHBondContact OG-ND2 3.33Å; S181-N189 VanDerWaalsContact OG-ND2 3.17Å |
| 182 | P | 90.6 | Very high | 94.4 | Very high | 76 Ų | 76 | 62.8 Ų | 62.8 | 49% | 0.494 | 34% | 0.34 | S | S | . | . | trans | -67 | 134.5 | -179.2 | 27.2 | -34.4 | 0 | 0 | 0 | 111.3 | E184 N185 | P182-E184 PolarHBondContact O-N 2.83Å; P182-N185 PolarHBondContact O-N 2.99Å | ||
| 183 | T | 90.2 | Very high | 94.3 | Very high | 92 Ų | 92 | 58.8 Ų | 58.8 | 56% | 0.564 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -49.4 | -31 | -177.9 | -46.1 | 0 | 0 | 0 | 0 | 114.1 | S181 N185 L186 L247 | S181-T183 PolarHBondContact O-N 3.19Å; T183-N185 VanDerWaalsContact C-N 3.31Å; T183-N185 PolarHBondContact O-N 2.94Å; T183-L186 WeakPolarHBondContact O-CB 3.38Å; T183-L186 PolarHBondContact O-N 3.42Å; T183-L247 HydrophobicContact CG2-CD1 3.75Å; T183-L247 HydrophobicContact CG2-CD2 4.17Å |
| 184 | E | 88.3 | Confident | 94.3 | Very high | 169 Ų | 169 | 53.4 Ų | 53.4 | 79% | 0.79 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -63 | -34 | 179.6 | -67.1 | 169.5 | -177.1 | 0 | 0 | 113.1 | P182 | P182-E184 PolarHBondContact O-N 2.83Š|
| 185 | N | 92.1 | Very high | 94.2 | Very high | 81 Ų | 81 | 55.2 Ų | 55.2 | 43% | 0.433 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -103 | 9 | -179.6 | -61.7 | -19.9 | 0 | 0 | 0 | 112.4 | P182 T183 I187 E188 N189 | P182-N185 PolarHBondContact O-N 2.99Å; T183-N185 VanDerWaalsContact C-N 3.31Å; T183-N185 PolarHBondContact O-N 2.94Å; N185-I187 VanDerWaalsContact C-N 3.28Å; N185-I187 PolarHBondContact O-N 3.04Å; N185-E188 PolarHBondContact O-N 2.81Å; N185-N189 WeakPolarHBondContact O-CB 3.29Å; N185-N189 PolarHBondContact O-N 3.12Å; N185-N189 PolarHBondContact O-ND2 3.49Å |
| 186 | L | 95 | Very high | 94.1 | Very high | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.7 | -31.9 | -171.8 | -178 | 60.1 | 0 | 0 | 0 | 112.4 | T183 F190 K243 L247 | T183-L186 WeakPolarHBondContact O-CB 3.38Å; T183-L186 PolarHBondContact O-N 3.42Å; L186-F190 WeakPolarHBondContact O-CB 2.94Å; L186-F190 PolarHBondContact O-N 2.99Å; L186-K243 HydrophobicContact CD2-CB 3.95Å; L186-L247 HydrophobicContact CB-CD1 4.2Å; L186-L247 HydrophobicContact CD2-CD1 4Å |
| 187 | I | 95.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.4 | -46.8 | 178 | -64 | 168.2 | 0 | 0 | 0 | 110.2 | N185 N191 L244 L247 L248 A251 V258 T262 V266 | N185-I187 VanDerWaalsContact C-N 3.28Å; N185-I187 PolarHBondContact O-N 3.04Å; I187-N191 VanDerWaalsContact O-CB 3.32Å; I187-N191 WeakPolarHBondContact O-CB 3.46Å; I187-N191 PolarHBondContact O-N 3.06Å; I187-L244 HydrophobicContact CB-CD1 4.47Å; I187-L244 HydrophobicContact CG1-CD1 3.83Å; I187-L247 HydrophobicContact CD1-CB 3.95Å; I187-L247 HydrophobicContact CG1-CB 4.28Å; I187-L248 HydrophobicContact CD1-CD2 3.99Å; I187-L248 HydrophobicContact CG1-CD2 3.93Å; I187-L248 HydrophobicContact CG2-CD2 3.86Å; I187-A251 HydrophobicContact CD1-CB 4.18Å; I187-V258 HydrophobicContact CD1-CG2 3.86Å; I187-V258 HydrophobicContact CG2-CG1 4.02Å; I187-V258 HydrophobicContact CG2-CG2 4.43Å; I187-T262 HydrophobicContact CG2-CG2 4.11Å; I187-V266 HydrophobicContact CG2-CG2 4.33Å |
| 188 | E | 95.6 | Very high | 94.1 | Very high | 53 Ų | 53 | 50.5 Ų | 50.5 | 25% | 0.248 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.2 | -49.1 | 178.4 | -73.6 | 58.9 | -139.1 | 0 | 0 | 111.3 | N185 N191 I192 | N185-E188 PolarHBondContact O-N 2.81Å; E188-N191 WeakPolarHBondContact O-CB 3.42Å; E188-N191 PolarHBondContact O-N 3.06Å; E188-I192 WeakPolarHBondContact O-CG1 3.37Å; E188-I192 PolarHBondContact O-N 3.08Å |
| 189 | N | 96.1 | Very high | 93.9 | Very high | 48 Ų | 48 | 51 Ų | 51 | 26% | 0.257 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 179.5 | -65.5 | -19.9 | 0 | 0 | 0 | 111.4 | L178 S181 N185 N191 I192 A193 | L178-N189 HydrophobicContact CD2-CB 3.61Å; S181-N189 VanDerWaalsContact CB-ND2 3.3Å; S181-N189 WeakPolarHBondContact CB-ND2 3.48Å; S181-N189 PolarHBondContact OG-ND2 3.33Å; S181-N189 VanDerWaalsContact OG-ND2 3.17Å; N185-N189 WeakPolarHBondContact O-CB 3.29Å; N185-N189 PolarHBondContact O-N 3.12Å; N185-N189 PolarHBondContact O-ND2 3.49Å; N189-N191 VanDerWaalsContact C-N 3.34Å; N189-I192 PolarHBondContact O-N 3.03Å; N189-A193 PolarHBondContact O-N 3.32Å |
| 190 | F | 97.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 174.5 | -177.1 | -95.3 | 0 | 0 | 0 | 111.4 | L178 L186 I192 A193 L194 F232 V236 A237 L244 V266 L270 | L178-F190 HydrophobicContact CD1-CD2 4.21Å; L186-F190 WeakPolarHBondContact O-CB 2.94Å; L186-F190 PolarHBondContact O-N 2.99Å; F190-I192 PolarHBondContact O-N 3.3Å; F190-A193 PolarHBondContact O-N 3.42Å; F190-L194 HydrophobicContact CD1-CD2 4.37Å; F190-L194 HydrophobicContact CE1-CB 4.47Å; F190-L194 HydrophobicContact CE1-CD2 3.86Å; F190-L194 WeakPolarHBondContact O-CB 3.46Å; F190-L194 PolarHBondContact O-N 2.99Å; F190-F232 HydrophobicContact CE2-CE1 4.09Å; F190-F232 HydrophobicContact CE2-CZ 4.34Å; F190-F232 HydrophobicContact CZ-CE1 4.01Å; F190-V236 HydrophobicContact CE2-CG1 4.37Å; F190-A237 HydrophobicContact CE2-CB 4.27Å; F190-A237 HydrophobicContact CZ-CB 4.06Å; F190-L244 HydrophobicContact CB-CD1 4.5Å; F190-L244 HydrophobicContact CD1-CD2 3.57Å; F190-L244 HydrophobicContact CD2-CD2 4.18Å; F190-L244 HydrophobicContact CE1-CD2 3.67Å; F190-L244 HydrophobicContact CE2-CD2 4.28Å; F190-L244 HydrophobicContact CG-CD2 3.84Å; F190-L244 HydrophobicContact CZ-CD2 4.03Å; F190-V266 HydrophobicContact CD1-CG1 3.94Å; F190-V266 HydrophobicContact CD1-CG2 4.29Å; F190-V266 HydrophobicContact CE1-CG1 4.08Å; F190-L270 HydrophobicContact CE1-CD2 3.88Å; F190-L270 HydrophobicContact CE1-CG 4.22Å; F190-L270 HydrophobicContact CZ-CD2 3.78Å |
| 191 | N | 96.4 | Very high | 94 | Very high | 22 Ų | 22 | 42.7 Ų | 42.7 | 12% | 0.118 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -39.7 | 175.6 | -171.9 | 60.2 | 0 | 0 | 0 | 112.8 | I187 E188 N189 T195 T262 S265 V266 | I187-N191 VanDerWaalsContact O-CB 3.32Å; I187-N191 WeakPolarHBondContact O-CB 3.46Å; I187-N191 PolarHBondContact O-N 3.06Å; E188-N191 WeakPolarHBondContact O-CB 3.42Å; E188-N191 PolarHBondContact O-N 3.06Å; N189-N191 VanDerWaalsContact C-N 3.34Å; N191-T195 WeakPolarHBondContact O-CB 3.41Å; N191-T195 VanDerWaalsContact O-CG2 3.31Å; N191-T195 WeakPolarHBondContact O-CG2 3.22Å; N191-T195 PolarHBondContact O-N 3.03Å; N191-T195 PolarHBondContact O-OG1 3.41Å; N191-T262 HydrophobicContact CB-CG2 3.78Å; N191-S265 WeakPolarHBondContact OD1-CB 3.35Å; N191-S265 PolarHBondContact OD1-OG 3.12Å; N191-V266 HydrophobicContact CB-CG2 3.55Å |
| 192 | I | 95 | Very high | 94.2 | Very high | 95 Ų | 95 | 48.1 Ų | 48.1 | 49% | 0.487 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.4 | -53.7 | 174.6 | -68 | 163 | 0 | 0 | 0 | 109.8 | E188 N189 F190 L194 T195 Q196 | E188-I192 WeakPolarHBondContact O-CG1 3.37Å; E188-I192 PolarHBondContact O-N 3.08Å; N189-I192 PolarHBondContact O-N 3.03Å; F190-I192 PolarHBondContact O-N 3.3Å; I192-L194 VanDerWaalsContact C-N 3.32Å; I192-L194 PolarHBondContact O-N 3.49Å; I192-T195 PolarHBondContact O-N 3.34Å; I192-T195 PolarHBondContact O-OG1 2.82Å; I192-Q196 WeakPolarHBondContact O-CB 3.5Å; I192-Q196 PolarHBondContact O-N 3.17Å |
| 193 | A | 96.1 | Very high | 94.2 | Very high | 14 Ų | 14 | 45.3 Ų | 45.3 | 12% | 0.116 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.2 | -43.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V174 L178 N189 F190 Y197 | V174-A193 HydrophobicContact CG1-CB 3.72Å; L178-A193 HydrophobicContact CD1-CB 4.18Å; N189-A193 PolarHBondContact O-N 3.32Å; F190-A193 PolarHBondContact O-N 3.42Å; A193-Y197 WeakPolarHBondContact O-CB 3.11Å; A193-Y197 PolarHBondContact O-N 3Å |
| 194 | L | 96.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.2 | -50 | 177.7 | 174.5 | 62 | 0 | 0 | 0 | 112.2 | F190 I192 Y197 L198 F232 L273 | F190-L194 HydrophobicContact CD1-CD2 4.37Å; F190-L194 HydrophobicContact CE1-CB 4.47Å; F190-L194 HydrophobicContact CE1-CD2 3.86Å; F190-L194 WeakPolarHBondContact O-CB 3.46Å; F190-L194 PolarHBondContact O-N 2.99Å; I192-L194 VanDerWaalsContact C-N 3.32Å; I192-L194 PolarHBondContact O-N 3.49Å; L194-Y197 PolarHBondContact O-N 3.17Å; L194-L198 HydrophobicContact CD1-CD1 3.84Å; L194-L198 HydrophobicContact CD1-CG 4.16Å; L194-L198 HydrophobicContact CG-CD1 4.04Å; L194-L198 WeakPolarHBondContact O-CB 3.41Å; L194-L198 VanDerWaalsContact O-CG 3.23Å; L194-L198 WeakPolarHBondContact O-CG 3.27Å; L194-L198 PolarHBondContact O-N 3.08Å; L194-F232 HydrophobicContact CB-CE1 4.42Å; L194-F232 HydrophobicContact CB-CZ 3.94Å; L194-F232 HydrophobicContact CD1-CD1 4.37Å; L194-F232 HydrophobicContact CD1-CE1 3.83Å; L194-F232 HydrophobicContact CD1-CZ 4.07Å; L194-L273 HydrophobicContact CD1-CD1 3.88Å |
| 195 | T | 95 | Very high | 94.7 | Very high | 59 Ų | 59 | 33.9 Ų | 33.9 | 36% | 0.362 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -70 | -35.8 | -178.3 | 52.8 | 0 | 0 | 0 | 0 | 112.1 | N191 I192 A199 S265 | N191-T195 WeakPolarHBondContact O-CB 3.41Å; N191-T195 VanDerWaalsContact O-CG2 3.31Å; N191-T195 WeakPolarHBondContact O-CG2 3.22Å; N191-T195 PolarHBondContact O-N 3.03Å; N191-T195 PolarHBondContact O-OG1 3.41Å; I192-T195 PolarHBondContact O-N 3.34Å; I192-T195 PolarHBondContact O-OG1 2.82Å; T195-A199 VanDerWaalsContact O-CB 3.26Å; T195-A199 WeakPolarHBondContact O-CB 3.16Å; T195-A199 PolarHBondContact O-N 3.35Å; T195-S265 WeakPolarHBondContact CG2-OG 3.49Å |
| 196 | Q | 94.4 | Very high | 94.9 | Very high | 55 Ų | 55 | 33.7 Ų | 33.7 | 26% | 0.257 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 171.2 | -178.9 | 175.9 | -18.4 | 0 | 0 | 111.5 | L128 I192 A199 S200 | L128-Q196 PolarHBondContact O-NE2 2.95Å; I192-Q196 WeakPolarHBondContact O-CB 3.5Å; I192-Q196 PolarHBondContact O-N 3.17Å; Q196-A199 WeakPolarHBondContact O-CB 3.48Å; Q196-A199 PolarHBondContact O-N 3.42Å; Q196-S200 PolarHBondContact O-N 3.4Å; Q196-S200 PolarHBondContact O-OG 3.48Å; Q196-S200 VanDerWaalsContact O-OG 3.13Å |
| 197 | Y | 96.3 | Very high | 94.8 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.3 | -45 | 178.8 | -172.6 | -106.7 | 0 | 0 | 0 | 112.5 | L128 I167 L171 A193 L194 A199 S200 L201 L228 F232 | L128-Y197 HydrophobicContact CD2-CD2 4.13Å; L128-Y197 HydrophobicContact CD2-CE2 4.02Å; I167-Y197 HydrophobicContact CG2-CE2 4Å; I167-Y197 VanDerWaalsContact CG2-OH 3.26Å; I167-Y197 WeakPolarHBondContact CG2-OH 3.39Å; L171-Y197 HydrophobicContact CD1-CE2 4.26Å; L171-Y197 HydrophobicContact CD2-CD2 3.87Å; L171-Y197 HydrophobicContact CD2-CE2 3.83Å; L171-Y197 HydrophobicContact CD2-CG 4.32Å; L171-Y197 HydrophobicContact CG-CE2 4.27Å; A193-Y197 WeakPolarHBondContact O-CB 3.11Å; A193-Y197 PolarHBondContact O-N 3Å; L194-Y197 PolarHBondContact O-N 3.17Å; Y197-A199 PolarHBondContact O-N 2.78Å; Y197-S200 PolarHBondContact O-N 2.94Å; Y197-S200 VanDerWaalsContact O-N 3.17Å; Y197-L201 HydrophobicContact CD1-CD1 4.17Å; Y197-L201 HydrophobicContact CD1-CG 4.24Å; Y197-L201 HydrophobicContact CE1-CD1 3.7Å; Y197-L201 HydrophobicContact CE1-CD2 4.06Å; Y197-L201 HydrophobicContact CE1-CG 3.89Å; Y197-L201 HydrophobicContact CE2-CD2 4.39Å; Y197-L201 WeakPolarHBondContact O-CG 3.34Å; Y197-L201 PolarHBondContact O-N 3.26Å; Y197-L228 PolarHBondContact OH-O 3.42Å; Y197-L228 VanDerWaalsContact OH-O 3.06Å; Y197-F232 HydrophobicContact CD1-CB 3.73Å; Y197-F232 AromaticContact CD1-CD2 3.45Å; Y197-F232 HydrophobicContact CD1-CD2 3.45Å; Y197-F232 VanDerWaalsContact CD1-CD2 3.45Å; Y197-F232 HydrophobicContact CD1-CE2 4.37Å; Y197-F232 AromaticContact CD1-CG 3.87Å; Y197-F232 HydrophobicContact CD1-CG 3.87Å; Y197-F232 HydrophobicContact CD2-CD2 4.34Å; Y197-F232 HydrophobicContact CE1-CB 3.59Å; Y197-F232 HydrophobicContact CE1-CD2 4.13Å; Y197-F232 HydrophobicContact CE1-CG 4.25Å; Y197-F232 AromaticContact CG-CD2 3.57Å; Y197-F232 HydrophobicContact CG-CD2 3.57Å; Y197-F232 HydrophobicContact CG-CE2 4.2Å; Y197-F232 HydrophobicContact CG-CG 4.43Å |
| 198 | L | 94.2 | Very high | 94.9 | Very high | 53 Ų | 53 | 33.3 Ų | 33.3 | 28% | 0.277 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.4 | -33.3 | 174.8 | -71.2 | 173.4 | 0 | 0 | 0 | 112.4 | L194 M229 | L194-L198 HydrophobicContact CD1-CD1 3.84Å; L194-L198 HydrophobicContact CD1-CG 4.16Å; L194-L198 HydrophobicContact CG-CD1 4.04Å; L194-L198 WeakPolarHBondContact O-CB 3.41Å; L194-L198 VanDerWaalsContact O-CG 3.23Å; L194-L198 WeakPolarHBondContact O-CG 3.27Å; L194-L198 PolarHBondContact O-N 3.08Å; L198-M229 HydrophobicContact CD2-CE 3.96Å; L198-M229 HydrophobicContact CD2-SD 3.38Å; L198-M229 WeakPolarHBondContact CD2-SD 3.32Å |
| 199 | A | 92.6 | Very high | 95 | Very high | 21 Ų | 21 | 33.8 Ų | 33.8 | 17% | 0.174 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.6 | -53.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F132 T195 Q196 Y197 L201 Q202 | F132-A199 HydrophobicContact CD2-CB 4.07Å; F132-A199 HydrophobicContact CE2-CB 3.4Å; F132-A199 HydrophobicContact CZ-CB 3.74Å; F132-A199 WeakPolarHBondContact CZ-O 3.42Å; T195-A199 VanDerWaalsContact O-CB 3.26Å; T195-A199 WeakPolarHBondContact O-CB 3.16Å; T195-A199 PolarHBondContact O-N 3.35Å; Q196-A199 WeakPolarHBondContact O-CB 3.48Å; Q196-A199 PolarHBondContact O-N 3.42Å; Y197-A199 PolarHBondContact O-N 2.78Å; A199-L201 VanDerWaalsContact C-N 3.25Å; A199-L201 PolarHBondContact O-N 3.5Å; A199-Q202 WeakPolarHBondContact O-CB 3.23Å; A199-Q202 PolarHBondContact O-N 3.37Å |
| 200 | S | 93.4 | Very high | 95 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.1 | -38.7 | 177.9 | -59.6 | 0 | 0 | 0 | 0 | 113.1 | L127 L128 Q196 Y197 Q202 C203 I204 | L127-S200 WeakPolarHBondContact O-CB 3.1Å; L127-S200 PolarHBondContact O-OG 3.2Å; L128-S200 WeakPolarHBondContact CA-OG 3.41Å; Q196-S200 PolarHBondContact O-N 3.4Å; Q196-S200 PolarHBondContact O-OG 3.48Å; Q196-S200 VanDerWaalsContact O-OG 3.13Å; Y197-S200 PolarHBondContact O-N 2.94Å; Y197-S200 VanDerWaalsContact O-N 3.17Å; S200-Q202 VanDerWaalsContact C-N 3.27Å; S200-Q202 PolarHBondContact O-N 3.15Å; S200-C203 PolarHBondContact O-N 2.97Å; S200-I204 WeakPolarHBondContact O-CG1 3.22Å; S200-I204 PolarHBondContact O-N 3.49Å |
| 201 | L | 94.8 | Very high | 95.1 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.2 | -30.6 | 175.9 | -68.5 | -169.5 | 0 | 0 | 0 | 113.6 | Y197 A199 C203 V205 L228 M229 | Y197-L201 HydrophobicContact CD1-CD1 4.17Å; Y197-L201 HydrophobicContact CD1-CG 4.24Å; Y197-L201 HydrophobicContact CE1-CD1 3.7Å; Y197-L201 HydrophobicContact CE1-CD2 4.06Å; Y197-L201 HydrophobicContact CE1-CG 3.89Å; Y197-L201 HydrophobicContact CE2-CD2 4.39Å; Y197-L201 WeakPolarHBondContact O-CG 3.34Å; Y197-L201 PolarHBondContact O-N 3.26Å; A199-L201 VanDerWaalsContact C-N 3.25Å; A199-L201 PolarHBondContact O-N 3.5Å; L201-C203 PolarHBondContact O-N 2.9Å; L201-V205 WeakPolarHBondContact O-CB 3.37Å; L201-V205 WeakPolarHBondContact O-CG2 3.3Å; L201-V205 PolarHBondContact O-N 3.41Å; L201-L228 HydrophobicContact CD1-CB 4.4Å; L201-L228 HydrophobicContact CD2-CB 3.76Å; L201-L228 HydrophobicContact CD2-CD1 3.69Å; L201-L228 HydrophobicContact CD2-CG 4.37Å; L201-M229 HydrophobicContact CD1-CG 4.01Å; L201-M229 HydrophobicContact CD1-SD 3.93Å |
| 202 | Q | 92.3 | Very high | 95.1 | Very high | 140 Ų | 140 | 32.4 Ų | 32.4 | 65% | 0.654 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -66.4 | -20.8 | 175.1 | -61.5 | 178.8 | 16.9 | 0 | 0 | 112.6 | A199 S200 P206 | A199-Q202 WeakPolarHBondContact O-CB 3.23Å; A199-Q202 PolarHBondContact O-N 3.37Å; S200-Q202 VanDerWaalsContact C-N 3.27Å; S200-Q202 PolarHBondContact O-N 3.15Å; Q202-P206 WeakPolarHBondContact O-CD 3.46Å; Q202-P206 VanDerWaalsContact O-CG 3.27Å; Q202-P206 WeakPolarHBondContact O-CG 3.07Å |
| 203 | C | 91.1 | Very high | 95.2 | Very high | 17 Ų | 17 | 32.5 Ų | 32.5 | 12% | 0.115 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -98.2 | -39.8 | 174.7 | -65.8 | 0 | 0 | 0 | 0 | 112.9 | L127 Y140 S200 L201 V207 | L127-C203 HydrophobicContact CD1-CB 4.43Å; L127-C203 HydrophobicContact CD2-CB 3.79Å; Y140-C203 HydrophobicContact CE1-CB 4.11Å; Y140-C203 PolarHBondContact OH-SG 3.44Å; S200-C203 PolarHBondContact O-N 2.97Å; L201-C203 PolarHBondContact O-N 2.9Å; C203-V207 VanDerWaalsContact O-CG2 3.31Å; C203-V207 WeakPolarHBondContact O-CG2 3.49Å; C203-V207 PolarHBondContact O-N 3.39Å |
| 204 | I | 94.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.8 | -47.3 | -178.1 | -66.7 | 167.6 | 0 | 0 | 0 | 110.9 | L127 L128 I167 S200 V207 F208 L228 | L127-I204 HydrophobicContact CB-CD1 4.43Å; L127-I204 HydrophobicContact CB-CG1 4.1Å; L127-I204 HydrophobicContact CD1-CG1 4.01Å; L128-I204 HydrophobicContact CD2-CD1 3.88Å; L128-I204 HydrophobicContact CG-CD1 4.23Å; I167-I204 HydrophobicContact CD1-CD1 4.47Å; S200-I204 WeakPolarHBondContact O-CG1 3.22Å; S200-I204 PolarHBondContact O-N 3.49Å; I204-V207 PolarHBondContact O-N 2.91Å; I204-F208 HydrophobicContact CG2-CD2 3.95Å; I204-F208 HydrophobicContact CG2-CE2 4.41Å; I204-F208 WeakPolarHBondContact O-CD2 3.33Å; I204-F208 PolarHBondContact O-N 3.18Å; I204-L228 HydrophobicContact CG2-CD1 4.07Å |
| 205 | V | 96.1 | Very high | 95.3 | Very high | 21 Ų | 21 | 38 Ų | 38 | 13% | 0.127 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | -174.7 | 175.8 | 0 | 0 | 0 | 0 | 112.6 | L201 V207 F208 I209 K225 L228 | L201-V205 WeakPolarHBondContact O-CB 3.37Å; L201-V205 WeakPolarHBondContact O-CG2 3.3Å; L201-V205 PolarHBondContact O-N 3.41Å; V205-V207 PolarHBondContact O-N 3.15Å; V205-F208 CarbonylContact O-C 3.56Å; V205-F208 PolarHBondContact O-N 3.46Å; V205-I209 PolarHBondContact O-N 3.06Å; V205-K225 HydrophobicContact CG1-CB 4.4Å; V205-K225 HydrophobicContact CG2-CB 3.99Å; V205-K225 HydrophobicContact CG2-CG 4.32Å; V205-L228 HydrophobicContact CG2-CD1 4.49Å |
| 206 | P | 94.7 | Very high | 95.4 | Very high | 77 Ų | 77 | 35.1 Ų | 35.1 | 50% | 0.5 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.5 | -34.7 | 173.1 | -26.3 | 37.4 | 0 | 0 | 0 | 114.6 | Q202 F208 I209 | Q202-P206 WeakPolarHBondContact O-CD 3.46Å; Q202-P206 VanDerWaalsContact O-CG 3.27Å; Q202-P206 WeakPolarHBondContact O-CG 3.07Å; P206-F208 VanDerWaalsContact C-N 3.33Å; P206-I209 WeakPolarHBondContact O-CB 3.36Å; P206-I209 WeakPolarHBondContact O-CG2 3.26Å; P206-I209 PolarHBondContact O-N 3.18Å |
| 207 | V | 94.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.024 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.7 | -39.8 | 175 | 166.6 | 0 | 0 | 0 | 0 | 111.1 | Y140 I143 V147 C203 I204 V205 | Y140-V207 HydrophobicContact CD1-CG2 3.55Å; Y140-V207 HydrophobicContact CE1-CG2 4Å; I143-V207 HydrophobicContact CB-CG1 3.73Å; I143-V207 HydrophobicContact CD1-CG1 4.46Å; I143-V207 HydrophobicContact CD1-CG2 4.2Å; I143-V207 HydrophobicContact CG2-CG1 3.47Å; I143-V207 VanDerWaalsContact CG2-CG1 3.47Å; V147-V207 HydrophobicContact CG2-CG1 4.38Å; C203-V207 VanDerWaalsContact O-CG2 3.31Å; C203-V207 WeakPolarHBondContact O-CG2 3.49Å; C203-V207 PolarHBondContact O-N 3.39Å; I204-V207 PolarHBondContact O-N 2.91Å; V205-V207 PolarHBondContact O-N 3.15Å |
| 208 | F | 97.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 12.3 | -179.7 | -76.1 | -91.4 | 0 | 0 | 0 | 114 | I124 V147 L159 L163 I204 V205 P206 Y210 L211 N212 L224 | I124-F208 HydrophobicContact CD1-CE2 4.38Å; I124-F208 HydrophobicContact CD1-CZ 4.04Å; I124-F208 HydrophobicContact CG1-CE2 4.26Å; I124-F208 HydrophobicContact CG1-CZ 4.38Å; V147-F208 HydrophobicContact CG1-CD1 4.09Å; V147-F208 HydrophobicContact CG2-CD1 3.72Å; V147-F208 HydrophobicContact CG2-CE1 3.52Å; V147-F208 HydrophobicContact CG2-CE2 4.34Å; V147-F208 HydrophobicContact CG2-CG 4.24Å; V147-F208 HydrophobicContact CG2-CZ 3.84Å; L159-F208 HydrophobicContact CD1-CE1 4.1Å; L159-F208 HydrophobicContact CD2-CE1 4.18Å; L159-F208 HydrophobicContact CG-CE1 4.19Å; L163-F208 HydrophobicContact CD1-CE1 4.3Å; L163-F208 HydrophobicContact CD1-CE2 4.06Å; L163-F208 HydrophobicContact CD1-CZ 3.95Å; L163-F208 HydrophobicContact CD2-CD1 3.76Å; L163-F208 HydrophobicContact CD2-CD2 4.4Å; L163-F208 HydrophobicContact CD2-CE1 3.94Å; L163-F208 HydrophobicContact CD2-CG 4Å; L163-F208 HydrophobicContact CD2-CZ 4.38Å; I204-F208 HydrophobicContact CG2-CD2 3.95Å; I204-F208 HydrophobicContact CG2-CE2 4.41Å; I204-F208 WeakPolarHBondContact O-CD2 3.33Å; I204-F208 PolarHBondContact O-N 3.18Å; V205-F208 CarbonylContact O-C 3.56Å; V205-F208 PolarHBondContact O-N 3.46Å; P206-F208 VanDerWaalsContact C-N 3.33Å; F208-Y210 PolarHBondContact O-N 2.84Å; F208-Y210 VanDerWaalsContact O-N 3.12Å; F208-L211 HydrophobicContact CD1-CB 4.39Å; F208-L211 HydrophobicContact CD1-CD2 3.87Å; F208-L211 WeakPolarHBondContact O-CA 3.44Å; F208-L211 WeakPolarHBondContact O-CB 3.26Å; F208-L211 PolarHBondContact O-N 3.37Å; F208-N212 PolarHBondContact O-N 3.44Å; F208-L224 HydrophobicContact CB-CD2 3.46Å; F208-L224 VanDerWaalsContact CB-CD2 3.46Å |
| 209 | I | 96.9 | Very high | 95.7 | Very high | 63 Ų | 63 | 43.7 Ų | 43.7 | 32% | 0.323 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.2 | -33.3 | -176.5 | -167.8 | 65.3 | 0 | 0 | 0 | 113.2 | Y144 V205 P206 N212 K213 | Y144-I209 HydrophobicContact CE2-CG2 3.98Å; V205-I209 PolarHBondContact O-N 3.06Å; P206-I209 WeakPolarHBondContact O-CB 3.36Å; P206-I209 WeakPolarHBondContact O-CG2 3.26Å; P206-I209 PolarHBondContact O-N 3.18Å; I209-N212 WeakPolarHBondContact O-CB 3.17Å; I209-N212 PolarHBondContact O-N 3.02Å; I209-K213 WeakPolarHBondContact O-CG 3.44Å; I209-K213 PolarHBondContact O-N 2.95Å |
| 210 | Y | 97.5 | Very high | 95.9 | Very high | 40 Ų | 40 | 45.5 Ų | 45.5 | 16% | 0.157 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.5 | -37.5 | 177.4 | -163.1 | -99 | 0 | 0 | 0 | 111.8 | Y148 V151 F208 F214 | Y148-Y210 AromaticContact CD2-CD1 3.88Å; Y148-Y210 HydrophobicContact CD2-CD1 3.88Å; Y148-Y210 AromaticContact CD2-CD2 3.94Å; Y148-Y210 HydrophobicContact CD2-CD2 3.94Å; Y148-Y210 AromaticContact CD2-CE1 3.65Å; Y148-Y210 HydrophobicContact CD2-CE1 3.65Å; Y148-Y210 AromaticContact CD2-CE2 3.73Å; Y148-Y210 HydrophobicContact CD2-CE2 3.73Å; Y148-Y210 HydrophobicContact CD2-CG 4.03Å; Y148-Y210 AromaticContact CD2-CZ 3.61Å; Y148-Y210 HydrophobicContact CE2-CD2 4.36Å; Y148-Y210 AromaticContact CE2-CE1 3.99Å; Y148-Y210 HydrophobicContact CE2-CE1 3.99Å; Y148-Y210 AromaticContact CE2-CE2 3.71Å; Y148-Y210 HydrophobicContact CE2-CE2 3.71Å; Y148-Y210 AromaticContact CE2-CZ 3.52Å; Y148-Y210 HydrophobicContact CG-CE1 4.49Å; V151-Y210 HydrophobicContact CB-CD1 3.72Å; V151-Y210 HydrophobicContact CB-CE1 3.83Å; V151-Y210 HydrophobicContact CG1-CD1 3.63Å; V151-Y210 HydrophobicContact CG1-CE1 3.51Å; V151-Y210 HydrophobicContact CG2-CD1 4.2Å; F208-Y210 PolarHBondContact O-N 2.84Å; F208-Y210 VanDerWaalsContact O-N 3.12Å; Y210-F214 HydrophobicContact CD1-CD2 4.2Å; Y210-F214 AromaticContact CD2-CD2 3.65Å; Y210-F214 HydrophobicContact CD2-CD2 3.65Å; Y210-F214 AromaticContact CD2-CE2 3.6Å; Y210-F214 HydrophobicContact CD2-CE2 3.6Å; Y210-F214 HydrophobicContact CE1-CD2 4.05Å; Y210-F214 HydrophobicContact CE1-CG 4.34Å; Y210-F214 AromaticContact CE2-CD2 3.46Å; Y210-F214 HydrophobicContact CE2-CD2 3.46Å; Y210-F214 VanDerWaalsContact CE2-CD2 3.46Å; Y210-F214 AromaticContact CE2-CE2 3.19Å; Y210-F214 HydrophobicContact CE2-CE2 3.19Å; Y210-F214 HydrophobicContact CE2-CG 4.34Å; Y210-F214 AromaticContact CE2-CZ 3.87Å; Y210-F214 HydrophobicContact CE2-CZ 3.87Å; Y210-F214 HydrophobicContact CG-CD2 4.01Å; Y210-F214 HydrophobicContact CG-CE2 4.41Å; Y210-F214 AromaticContact CZ-CD2 3.66Å; Y210-F214 AromaticContact CZ-CE2 3.73Å; Y210-F214 WeakPolarHBondContact O-CB 3.34Å; Y210-F214 WeakPolarHBondContact O-CD2 3.31Å; Y210-F214 PolarHBondContact O-N 3.25Å |
| 211 | L | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 170.2 | 178.7 | 66.4 | 0 | 0 | 0 | 111 | V147 V151 S156 L159 L163 F208 Y215 I216 | V147-L211 HydrophobicContact CG1-CB 4.19Å; V151-L211 HydrophobicContact CG2-CB 4.07Å; V151-L211 HydrophobicContact CG2-CD1 3.86Å; S156-L211 WeakPolarHBondContact O-CD1 3.4Å; L159-L211 HydrophobicContact CD2-CD1 4.47Å; L159-L211 HydrophobicContact CD2-CD2 4.17Å; L159-L211 HydrophobicContact CG-CD2 4.14Å; L163-L211 HydrophobicContact CD2-CD2 4.33Å; F208-L211 HydrophobicContact CD1-CB 4.39Å; F208-L211 HydrophobicContact CD1-CD2 3.87Å; F208-L211 WeakPolarHBondContact O-CA 3.44Å; F208-L211 WeakPolarHBondContact O-CB 3.26Å; F208-L211 PolarHBondContact O-N 3.37Å; L211-Y215 HydrophobicContact CD1-CD1 4.12Å; L211-Y215 HydrophobicContact CD1-CG 4.31Å; L211-Y215 WeakPolarHBondContact O-CB 3.49Å; L211-Y215 PolarHBondContact O-N 2.94Å; L211-Y215 VanDerWaalsContact O-N 3.07Å; L211-I216 HydrophobicContact CD2-CD1 4.44Å; L211-I216 HydrophobicContact CG-CD1 4.17Å; L211-I216 HydrophobicContact CG-CG1 4.49Å; L211-I216 PolarHBondContact O-N 3.27Å |
| 212 | N | 97.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.011 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -59.1 | -53.9 | 177.6 | -158.7 | 29 | 0 | 0 | 0 | 111.1 | F208 I209 I216 E217 D223 L224 | F208-N212 PolarHBondContact O-N 3.44Å; I209-N212 WeakPolarHBondContact O-CB 3.17Å; I209-N212 PolarHBondContact O-N 3.02Å; N212-I216 PolarHBondContact O-N 3.1Å; N212-I216 VanDerWaalsContact O-N 3.14Å; N212-E217 PolarHBondContact ND2-OE1 3Å; N212-E217 PolarHBondContact O-N 3.25Å; N212-D223 PolarHBondContact ND2-OD2 3.48Å; N212-L224 HydrophobicContact CB-CB 4.13Å; N212-L224 VanDerWaalsContact OD1-CB 3.3Å; N212-L224 WeakPolarHBondContact OD1-CB 3.31Å; N212-L224 PolarHBondContact OD1-N 3.11Å |
| 213 | K | 97.3 | Very high | 96.5 | Very high | 97 Ų | 97 | 53.5 Ų | 53.5 | 42% | 0.422 | 27% | 0.265 | S | S | . | . | I | π-helix | trans | -65.3 | -46.4 | -179.2 | -64.8 | -43.4 | -169.2 | -171.9 | 0 | 113.8 | I209 E217 S218 | I209-K213 WeakPolarHBondContact O-CG 3.44Å; I209-K213 PolarHBondContact O-N 2.95Å; K213-E217 VanDerWaalsContact CD-CD 3.45Å; K213-E217 VanDerWaalsContact CD-OE1 3.27Å; K213-E217 WeakPolarHBondContact CD-OE1 3.34Å; K213-E217 WeakPolarHBondContact CD-OE2 3.39Å; K213-E217 WeakPolarHBondContact CE-OE1 3.44Å; K213-E217 WeakPolarHBondContact CE-OE2 3.33Å; K213-E217 IonicContact NZ-OE1 2.63Å; K213-E217 PolarHBondContact NZ-OE1 3.1Å; K213-E217 IonicContact NZ-OE2 2.68Å; K213-E217 PolarHBondContact NZ-OE2 3.06Å; K213-S218 WeakPolarHBondContact O-CB 3.49Å; K213-S218 PolarHBondContact O-OG 3.22Å |
| 214 | F | 96.4 | Very high | 96.8 | Very high | 111 Ų | 111 | 52.7 Ų | 52.7 | 49% | 0.487 | 26% | 0.259 | S | S | . | . | I | π-helix | trans | -94.1 | 3 | -169.8 | -69.8 | -91 | 0 | 0 | 0 | 114.9 | V151 Y210 S218 | V151-F214 HydrophobicContact CG1-CB 3.87Å; Y210-F214 HydrophobicContact CD1-CD2 4.2Å; Y210-F214 AromaticContact CD2-CD2 3.65Å; Y210-F214 HydrophobicContact CD2-CD2 3.65Å; Y210-F214 AromaticContact CD2-CE2 3.6Å; Y210-F214 HydrophobicContact CD2-CE2 3.6Å; Y210-F214 HydrophobicContact CE1-CD2 4.05Å; Y210-F214 HydrophobicContact CE1-CG 4.34Å; Y210-F214 AromaticContact CE2-CD2 3.46Å; Y210-F214 HydrophobicContact CE2-CD2 3.46Å; Y210-F214 VanDerWaalsContact CE2-CD2 3.46Å; Y210-F214 AromaticContact CE2-CE2 3.19Å; Y210-F214 HydrophobicContact CE2-CE2 3.19Å; Y210-F214 HydrophobicContact CE2-CG 4.34Å; Y210-F214 AromaticContact CE2-CZ 3.87Å; Y210-F214 HydrophobicContact CE2-CZ 3.87Å; Y210-F214 HydrophobicContact CG-CD2 4.01Å; Y210-F214 HydrophobicContact CG-CE2 4.41Å; Y210-F214 AromaticContact CZ-CD2 3.66Å; Y210-F214 AromaticContact CZ-CE2 3.73Å; Y210-F214 WeakPolarHBondContact O-CB 3.34Å; Y210-F214 WeakPolarHBondContact O-CD2 3.31Å; Y210-F214 PolarHBondContact O-N 3.25Å; F214-S218 WeakPolarHBondContact CA-OG 3.45Å |
| 215 | Y | 97.3 | Very high | 96.9 | Very high | 18 Ų | 18 | 58.3 Ų | 58.3 | 7% | 0.071 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -142.2 | -54.2 | 174.9 | -178 | -109.9 | 0 | 0 | 0 | 113.6 | E157 Y160 L211 S218 K219 L220 | E157-Y215 HydrophobicContact CB-CE2 4Å; E157-Y215 WeakPolarHBondContact CB-OH 3.38Å; E157-Y215 WeakPolarHBondContact CG-OH 3.43Å; Y160-Y215 HydrophobicContact CD1-CE1 4.09Å; Y160-Y215 HydrophobicContact CG-CD1 4.41Å; Y160-Y215 AromaticContact CG-CE1 3.99Å; Y160-Y215 HydrophobicContact CG-CE1 3.99Å; L211-Y215 HydrophobicContact CD1-CD1 4.12Å; L211-Y215 HydrophobicContact CD1-CG 4.31Å; L211-Y215 WeakPolarHBondContact O-CB 3.49Å; L211-Y215 PolarHBondContact O-N 2.94Å; L211-Y215 VanDerWaalsContact O-N 3.07Å; Y215-S218 PolarHBondContact N-OG 3.32Å; Y215-K219 HydrophobicContact CD2-CB 4.46Å; Y215-K219 HydrophobicContact CD2-CD 3.85Å; Y215-K219 HydrophobicContact CD2-CG 4.39Å; Y215-K219 HydrophobicContact CE2-CD 4.12Å; Y215-K219 WeakPolarHBondContact O-CA 3.28Å; Y215-K219 VanDerWaalsContact O-CB 3.27Å; Y215-K219 WeakPolarHBondContact O-CB 3.49Å; Y215-K219 PolarHBondContact O-N 3.17Å; Y215-L220 HydrophobicContact CD1-CD1 4.32Å; Y215-L220 HydrophobicContact CE1-CD1 3.73Å; Y215-L220 HydrophobicContact CE1-CG 4.22Å; Y215-L220 PolarHBondContact O-N 2.99Å |
| 216 | I | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.309 | C | S | . | . | I | π-helix | trans | -75.1 | -53.3 | -168.5 | -54.3 | 171.8 | 0 | 0 | 0 | 110.6 | Y160 L211 N212 L220 N221 R222 L224 | Y160-I216 HydrophobicContact CD2-CD1 3.61Å; Y160-I216 HydrophobicContact CD2-CG1 4.02Å; Y160-I216 HydrophobicContact CE2-CD1 3.8Å; Y160-I216 HydrophobicContact CE2-CG1 4.24Å; L211-I216 HydrophobicContact CD2-CD1 4.44Å; L211-I216 HydrophobicContact CG-CD1 4.17Å; L211-I216 HydrophobicContact CG-CG1 4.49Å; L211-I216 PolarHBondContact O-N 3.27Å; N212-I216 PolarHBondContact O-N 3.1Å; N212-I216 VanDerWaalsContact O-N 3.14Å; I216-L220 CarbonylContact O-C 3.37Å; I216-L220 WeakPolarHBondContact O-CA 3.34Å; I216-L220 VanDerWaalsContact O-CB 3.31Å; I216-L220 WeakPolarHBondContact O-CB 3.46Å; I216-L220 PolarHBondContact O-N 3.18Å; I216-L220 VanDerWaalsContact O-N 3.09Å; I216-N221 PolarHBondContact O-N 2.92Å; I216-R222 CarbonylContact C-O 3.42Å; I216-R222 HydrophobicContact CG2-CB 3.89Å; I216-R222 PolarHBondContact O-N 3.12Å; I216-L224 HydrophobicContact CD1-CB 3.81Å; I216-L224 HydrophobicContact CD1-CD1 3.7Å; I216-L224 HydrophobicContact CD1-CD2 4.49Å; I216-L224 HydrophobicContact CD1-CG 4.19Å |
| 217 | E | 97.8 | Very high | 97.2 | Very high | 64 Ų | 64 | 61.2 Ų | 61.2 | 30% | 0.299 | 29% | 0.29 | S | S | . | . | I | π-helix | trans | -65.2 | -45.1 | 175 | -70.5 | 176.7 | -150.8 | 0 | 0 | 111.6 | N212 K213 N221 R222 | N212-E217 PolarHBondContact ND2-OE1 3Å; N212-E217 PolarHBondContact O-N 3.25Å; K213-E217 VanDerWaalsContact CD-CD 3.45Å; K213-E217 VanDerWaalsContact CD-OE1 3.27Å; K213-E217 WeakPolarHBondContact CD-OE1 3.34Å; K213-E217 WeakPolarHBondContact CD-OE2 3.39Å; K213-E217 WeakPolarHBondContact CE-OE1 3.44Å; K213-E217 WeakPolarHBondContact CE-OE2 3.33Å; K213-E217 IonicContact NZ-OE1 2.63Å; K213-E217 PolarHBondContact NZ-OE1 3.1Å; K213-E217 IonicContact NZ-OE2 2.68Å; K213-E217 PolarHBondContact NZ-OE2 3.06Å; E217-N221 WeakPolarHBondContact O-CA 3.41Å; E217-N221 PolarHBondContact O-N 3.38Å; E217-R222 VanDerWaalsContact CA-O 3.3Å; E217-R222 WeakPolarHBondContact CA-O 3.26Å; E217-R222 WeakPolarHBondContact CG-O 3.33Å; E217-R222 PolarHBondContact N-O 2.93Å |
| 218 | S | 96.3 | Very high | 97.3 | Very high | 80 Ų | 80 | 61 Ų | 61 | 56% | 0.559 | 29% | 0.289 | S | S | * | . | I | π-helix | trans | -89.3 | -16.6 | -168.2 | 48.2 | 0 | 0 | 0 | 0 | 116.2 | K213 F214 Y215 | K213-S218 WeakPolarHBondContact O-CB 3.49Å; K213-S218 PolarHBondContact O-OG 3.22Å; F214-S218 WeakPolarHBondContact CA-OG 3.45Å; Y215-S218 PolarHBondContact N-OG 3.32Å |
| 219 | K | 96.4 | Very high | 97.4 | Very high | 151 Ų | 151 | 62.1 Ų | 62.1 | 66% | 0.657 | 29% | 0.294 | S | S | * | . | I | π-helix | trans | -120 | -33.6 | 173.3 | -54.5 | -167.2 | -170.5 | 178.6 | 0 | 114.1 | Y215 | Y215-K219 HydrophobicContact CD2-CB 4.46Å; Y215-K219 HydrophobicContact CD2-CD 3.85Å; Y215-K219 HydrophobicContact CD2-CG 4.39Å; Y215-K219 HydrophobicContact CE2-CD 4.12Å; Y215-K219 WeakPolarHBondContact O-CA 3.28Å; Y215-K219 VanDerWaalsContact O-CB 3.27Å; Y215-K219 WeakPolarHBondContact O-CB 3.49Å; Y215-K219 PolarHBondContact O-N 3.17Å |
| 220 | L | 96.9 | Very high | 97.4 | Very high | 58 Ų | 58 | 64.8 Ų | 64.8 | 30% | 0.304 | 30% | 0.303 | S | S | . | . | I | π-helix | trans | -96.2 | -16 | -179.3 | -51.4 | -177.1 | 0 | 0 | 0 | 113.1 | Y160 Y215 I216 R222 | Y160-L220 HydrophobicContact CE1-CD1 4.25Å; Y215-L220 HydrophobicContact CD1-CD1 4.32Å; Y215-L220 HydrophobicContact CE1-CD1 3.73Å; Y215-L220 HydrophobicContact CE1-CG 4.22Å; Y215-L220 PolarHBondContact O-N 2.99Å; I216-L220 CarbonylContact O-C 3.37Å; I216-L220 WeakPolarHBondContact O-CA 3.34Å; I216-L220 VanDerWaalsContact O-CB 3.31Å; I216-L220 WeakPolarHBondContact O-CB 3.46Å; I216-L220 PolarHBondContact O-N 3.18Å; I216-L220 VanDerWaalsContact O-N 3.09Å; L220-R222 HydrophobicContact CB-CG 4.36Å |
| 221 | N | 97.4 | Very high | 97.4 | Very high | 147 Ų | 147 | 64 Ų | 64 | 79% | 0.786 | 30% | 0.302 | S | S | * | . | trans | 53.4 | 53.7 | -173.5 | -165.8 | 95 | 0 | 0 | 0 | 111.9 | I216 E217 | I216-N221 PolarHBondContact O-N 2.92Å; E217-N221 WeakPolarHBondContact O-CA 3.41Å; E217-N221 PolarHBondContact O-N 3.38Å | ||
| 222 | R | 97.4 | Very high | 97.4 | Very high | 130 Ų | 130 | 64.1 Ų | 64.1 | 49% | 0.491 | 30% | 0.303 | S | S | . | . | trans | -139.4 | 176.4 | 177 | -58.3 | -177.3 | -165.3 | 179.1 | 6.5 | 110.6 | I216 E217 L220 D227 | I216-R222 CarbonylContact C-O 3.42Å; I216-R222 HydrophobicContact CG2-CB 3.89Å; I216-R222 PolarHBondContact O-N 3.12Å; E217-R222 VanDerWaalsContact CA-O 3.3Å; E217-R222 WeakPolarHBondContact CA-O 3.26Å; E217-R222 WeakPolarHBondContact CG-O 3.33Å; E217-R222 PolarHBondContact N-O 2.93Å; L220-R222 HydrophobicContact CB-CG 4.36Å; R222-D227 WeakPolarHBondContact CD-OD1 3.25Å; R222-D227 VanDerWaalsContact CD-OD2 3.24Å; R222-D227 WeakPolarHBondContact CD-OD2 3.49Å; R222-D227 IonicContact CZ-OD1 3.16Å; R222-D227 IonicContact NH1-OD1 3.46Å; R222-D227 PolarHBondContact NH1-OD1 3.46Å | ||
| 223 | D | 97.5 | Very high | 97.4 | Very high | 42 Ų | 42 | 64.1 Ų | 64.1 | 23% | 0.225 | 30% | 0.302 | C | S | . | . | trans | -117.8 | 138.9 | 167.3 | 175.4 | -99.7 | 0 | 0 | 0 | 111.9 | N212 K225 E226 D227 | N212-D223 PolarHBondContact ND2-OD2 3.48Å; D223-K225 VanDerWaalsContact C-N 3.32Å; D223-K225 PolarHBondContact O-N 3.35Å; D223-K225 WeakPolarHBondContact OD1-CA 3.34Å; D223-K225 WeakPolarHBondContact OD1-CB 3.33Å; D223-K225 PolarHBondContact OD1-N 3.09Å; D223-E226 HydrophobicContact CB-CB 4.48Å; D223-E226 HydrophobicContact CB-CG 4.22Å; D223-E226 WeakPolarHBondContact O-CB 3.37Å; D223-E226 PolarHBondContact O-N 3.31Å; D223-E226 VanDerWaalsContact O-N 3.13Å; D223-E226 PolarHBondContact OD1-N 2.93Å; D223-D227 PolarHBondContact O-N 2.87Å | ||
| 224 | L | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.6 | -37.2 | 179.8 | 178.8 | 61.7 | 0 | 0 | 0 | 113.4 | Y160 L163 F208 N212 I216 E226 L228 | Y160-L224 HydrophobicContact CE2-CD1 4.48Å; L163-L224 HydrophobicContact CD2-CD1 4.06Å; F208-L224 HydrophobicContact CB-CD2 3.46Å; F208-L224 VanDerWaalsContact CB-CD2 3.46Å; N212-L224 HydrophobicContact CB-CB 4.13Å; N212-L224 VanDerWaalsContact OD1-CB 3.3Å; N212-L224 WeakPolarHBondContact OD1-CB 3.31Å; N212-L224 PolarHBondContact OD1-N 3.11Å; I216-L224 HydrophobicContact CD1-CB 3.81Å; I216-L224 HydrophobicContact CD1-CD1 3.7Å; I216-L224 HydrophobicContact CD1-CD2 4.49Å; I216-L224 HydrophobicContact CD1-CG 4.19Å; L224-E226 VanDerWaalsContact C-N 3.31Å; L224-L228 HydrophobicContact CD1-CD1 3.88Å; L224-L228 HydrophobicContact CD1-CD2 4.37Å; L224-L228 HydrophobicContact CD1-CG 3.85Å; L224-L228 HydrophobicContact CG-CD1 4Å; L224-L228 HydrophobicContact CG-CG 4.3Å; L224-L228 WeakPolarHBondContact O-CB 3.34Å; L224-L228 VanDerWaalsContact O-CG 3.22Å; L224-L228 WeakPolarHBondContact O-CG 3.47Å; L224-L228 PolarHBondContact O-N 2.86Å |
| 225 | K | 97.4 | Very high | 97.5 | Very high | 118 Ų | 118 | 59.3 Ų | 59.3 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.5 | -37.2 | 178.7 | -171.1 | -166.4 | 167.6 | -161.8 | 0 | 110 | V205 D223 M229 | V205-K225 HydrophobicContact CG1-CB 4.4Å; V205-K225 HydrophobicContact CG2-CB 3.99Å; V205-K225 HydrophobicContact CG2-CG 4.32Å; D223-K225 VanDerWaalsContact C-N 3.32Å; D223-K225 PolarHBondContact O-N 3.35Å; D223-K225 WeakPolarHBondContact OD1-CA 3.34Å; D223-K225 WeakPolarHBondContact OD1-CB 3.33Å; D223-K225 PolarHBondContact OD1-N 3.09Å; K225-M229 HydrophobicContact CG-CG 4.4Å; K225-M229 VanDerWaalsContact O-CB 3.23Å; K225-M229 WeakPolarHBondContact O-CB 3.46Å; K225-M229 WeakPolarHBondContact O-CG 3.28Å; K225-M229 PolarHBondContact O-N 3.09Å |
| 226 | E | 97.5 | Very high | 97.5 | Very high | 140 Ų | 140 | 58.5 Ų | 58.5 | 65% | 0.654 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -67.6 | -48.2 | 175.6 | -63.7 | -175.1 | 167.5 | 0 | 0 | 112 | D223 L224 L228 M229 K230 | D223-E226 HydrophobicContact CB-CB 4.48Å; D223-E226 HydrophobicContact CB-CG 4.22Å; D223-E226 WeakPolarHBondContact O-CB 3.37Å; D223-E226 PolarHBondContact O-N 3.31Å; D223-E226 VanDerWaalsContact O-N 3.13Å; D223-E226 PolarHBondContact OD1-N 2.93Å; L224-E226 VanDerWaalsContact C-N 3.31Å; E226-L228 VanDerWaalsContact C-N 3.31Å; E226-L228 PolarHBondContact O-N 3.28Å; E226-M229 PolarHBondContact O-N 2.96Å; E226-K230 WeakPolarHBondContact O-CB 3.42Å; E226-K230 PolarHBondContact O-N 2.94Å |
| 227 | D | 98 | Very high | 97.4 | Very high | 20 Ų | 20 | 58.5 Ų | 58.5 | 11% | 0.107 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.6 | -41.2 | 175.4 | -82.8 | -51 | 0 | 0 | 0 | 111.1 | Y160 R222 D223 K230 L231 | Y160-D227 VanDerWaalsContact OH-CG 3.32Å; Y160-D227 PolarHBondContact OH-OD2 2.85Å; R222-D227 WeakPolarHBondContact CD-OD1 3.25Å; R222-D227 VanDerWaalsContact CD-OD2 3.24Å; R222-D227 WeakPolarHBondContact CD-OD2 3.49Å; R222-D227 IonicContact CZ-OD1 3.16Å; R222-D227 IonicContact NH1-OD1 3.46Å; R222-D227 PolarHBondContact NH1-OD1 3.46Å; D223-D227 PolarHBondContact O-N 2.87Å; D227-K230 WeakPolarHBondContact O-CB 3.33Å; D227-K230 PolarHBondContact O-N 3.33Å; D227-L231 PolarHBondContact O-N 3.49Å; D227-L231 VanDerWaalsContact O-N 3.17Å |
| 228 | L | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73.9 | -39.5 | 177.9 | -65.8 | -177.2 | 0 | 0 | 0 | 113.7 | I167 Y197 L201 I204 V205 L224 E226 K230 L231 F232 | I167-L228 HydrophobicContact CD1-CD1 4Å; I167-L228 HydrophobicContact CD1-CD2 3.6Å; I167-L228 HydrophobicContact CD1-CG 4.44Å; I167-L228 HydrophobicContact CG2-CD2 4.32Å; Y197-L228 PolarHBondContact OH-O 3.42Å; Y197-L228 VanDerWaalsContact OH-O 3.06Å; L201-L228 HydrophobicContact CD1-CB 4.4Å; L201-L228 HydrophobicContact CD2-CB 3.76Å; L201-L228 HydrophobicContact CD2-CD1 3.69Å; L201-L228 HydrophobicContact CD2-CG 4.37Å; I204-L228 HydrophobicContact CG2-CD1 4.07Å; V205-L228 HydrophobicContact CG2-CD1 4.49Å; L224-L228 HydrophobicContact CD1-CD1 3.88Å; L224-L228 HydrophobicContact CD1-CD2 4.37Å; L224-L228 HydrophobicContact CD1-CG 3.85Å; L224-L228 HydrophobicContact CG-CD1 4Å; L224-L228 HydrophobicContact CG-CG 4.3Å; L224-L228 WeakPolarHBondContact O-CB 3.34Å; L224-L228 VanDerWaalsContact O-CG 3.22Å; L224-L228 WeakPolarHBondContact O-CG 3.47Å; L224-L228 PolarHBondContact O-N 2.86Å; E226-L228 VanDerWaalsContact C-N 3.31Å; E226-L228 PolarHBondContact O-N 3.28Å; L228-K230 PolarHBondContact O-N 3.37Å; L228-L231 HydrophobicContact CD2-CD1 3.8Å; L228-L231 WeakPolarHBondContact O-CB 3.25Å; L228-L231 PolarHBondContact O-N 2.98Å; L228-L231 VanDerWaalsContact O-N 3.1Å; L228-F232 PolarHBondContact O-N 2.91Å |
| 229 | M | 97.7 | Very high | 97.2 | Very high | 23 Ų | 23 | 60.3 Ų | 60.3 | 11% | 0.113 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.4 | -41.6 | 170.8 | -79.6 | -72.9 | -72.8 | 0 | 0 | 110.9 | L198 L201 K225 E226 L231 F232 A233 S272 L273 | L198-M229 HydrophobicContact CD2-CE 3.96Å; L198-M229 HydrophobicContact CD2-SD 3.38Å; L198-M229 WeakPolarHBondContact CD2-SD 3.32Å; L201-M229 HydrophobicContact CD1-CG 4.01Å; L201-M229 HydrophobicContact CD1-SD 3.93Å; K225-M229 HydrophobicContact CG-CG 4.4Å; K225-M229 VanDerWaalsContact O-CB 3.23Å; K225-M229 WeakPolarHBondContact O-CB 3.46Å; K225-M229 WeakPolarHBondContact O-CG 3.28Å; K225-M229 PolarHBondContact O-N 3.09Å; E226-M229 PolarHBondContact O-N 2.96Å; M229-L231 PolarHBondContact O-N 3.17Å; M229-F232 PolarHBondContact O-N 2.93Å; M229-A233 PolarHBondContact O-N 3.24Å; M229-A233 VanDerWaalsContact O-N 3.08Å; M229-S272 VanDerWaalsContact CE-O 3.25Å; M229-S272 WeakPolarHBondContact CE-O 3.44Å; M229-L273 HydrophobicContact CE-CD2 3.74Å; M229-L273 HydrophobicContact CE-CG 4.11Å; M229-L273 VanDerWaalsContact O-CD2 3.26Å; M229-L273 WeakPolarHBondContact O-CD2 3.32Å; M229-L273 HydrophobicContact SD-CD2 4.19Å |
| 230 | K | 97.6 | Very high | 97.2 | Very high | 119 Ų | 119 | 53.2 Ų | 53.2 | 52% | 0.517 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 175.3 | -179.9 | 174.7 | 174.5 | 177.5 | 0 | 112.5 | E226 D227 L228 F232 A233 D234 | E226-K230 WeakPolarHBondContact O-CB 3.42Å; E226-K230 PolarHBondContact O-N 2.94Å; D227-K230 WeakPolarHBondContact O-CB 3.33Å; D227-K230 PolarHBondContact O-N 3.33Å; L228-K230 PolarHBondContact O-N 3.37Å; K230-F232 VanDerWaalsContact C-N 3.29Å; K230-F232 PolarHBondContact O-N 2.98Å; K230-A233 WeakPolarHBondContact O-CB 3.32Å; K230-A233 PolarHBondContact O-N 3.2Å; K230-A233 VanDerWaalsContact O-N 3.11Å; K230-D234 WeakPolarHBondContact CE-OD2 3.46Å; K230-D234 WeakPolarHBondContact CG-OD2 3.23Å; K230-D234 WeakPolarHBondContact O-CB 3.38Å; K230-D234 VanDerWaalsContact O-CG 3.26Å; K230-D234 PolarHBondContact O-N 3.13Å |
| 231 | L | 98.3 | Very high | 97 | Very high | 25 Ų | 25 | 51 Ų | 51 | 13% | 0.131 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.8 | -40.5 | 176.2 | -66.2 | -178 | 0 | 0 | 0 | 112.4 | T164 I167 L171 D227 L228 M229 H235 | T164-L231 HydrophobicContact CG2-CD1 4.28Å; I167-L231 HydrophobicContact CB-CD1 4.27Å; I167-L231 HydrophobicContact CG2-CD1 3.85Å; L171-L231 HydrophobicContact CD1-CB 3.64Å; D227-L231 PolarHBondContact O-N 3.49Å; D227-L231 VanDerWaalsContact O-N 3.17Å; L228-L231 HydrophobicContact CD2-CD1 3.8Å; L228-L231 WeakPolarHBondContact O-CB 3.25Å; L228-L231 PolarHBondContact O-N 2.98Å; L228-L231 VanDerWaalsContact O-N 3.1Å; M229-L231 PolarHBondContact O-N 3.17Å; L231-H235 WeakPolarHBondContact O-CB 3.4Å; L231-H235 PolarHBondContact O-N 3.03Å; L231-H235 PolarHBondContact O-ND1 3.3Å |
| 232 | F | 98.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.3 | -40.8 | 174.8 | -172.6 | -74.9 | 0 | 0 | 0 | 111.7 | L171 F190 L194 Y197 L228 M229 K230 D234 V236 A237 L273 | L171-F232 HydrophobicContact CD1-CB 4.45Å; L171-F232 HydrophobicContact CD2-CB 4.2Å; L171-F232 HydrophobicContact CD2-CD2 3.51Å; L171-F232 HydrophobicContact CD2-CE2 4.3Å; L171-F232 HydrophobicContact CD2-CG 4.23Å; F190-F232 HydrophobicContact CE2-CE1 4.09Å; F190-F232 HydrophobicContact CE2-CZ 4.34Å; F190-F232 HydrophobicContact CZ-CE1 4.01Å; L194-F232 HydrophobicContact CB-CE1 4.42Å; L194-F232 HydrophobicContact CB-CZ 3.94Å; L194-F232 HydrophobicContact CD1-CD1 4.37Å; L194-F232 HydrophobicContact CD1-CE1 3.83Å; L194-F232 HydrophobicContact CD1-CZ 4.07Å; Y197-F232 HydrophobicContact CD1-CB 3.73Å; Y197-F232 AromaticContact CD1-CD2 3.45Å; Y197-F232 HydrophobicContact CD1-CD2 3.45Å; Y197-F232 VanDerWaalsContact CD1-CD2 3.45Å; Y197-F232 HydrophobicContact CD1-CE2 4.37Å; Y197-F232 AromaticContact CD1-CG 3.87Å; Y197-F232 HydrophobicContact CD1-CG 3.87Å; Y197-F232 HydrophobicContact CD2-CD2 4.34Å; Y197-F232 HydrophobicContact CE1-CB 3.59Å; Y197-F232 HydrophobicContact CE1-CD2 4.13Å; Y197-F232 HydrophobicContact CE1-CG 4.25Å; Y197-F232 AromaticContact CG-CD2 3.57Å; Y197-F232 HydrophobicContact CG-CD2 3.57Å; Y197-F232 HydrophobicContact CG-CE2 4.2Å; Y197-F232 HydrophobicContact CG-CG 4.43Å; L228-F232 PolarHBondContact O-N 2.91Å; M229-F232 PolarHBondContact O-N 2.93Å; K230-F232 VanDerWaalsContact C-N 3.29Å; K230-F232 PolarHBondContact O-N 2.98Å; F232-D234 VanDerWaalsContact C-N 3.32Å; F232-D234 PolarHBondContact O-N 2.91Å; F232-V236 HydrophobicContact CD1-CB 4.19Å; F232-V236 HydrophobicContact CD2-CB 4.33Å; F232-V236 HydrophobicContact CD2-CG2 4.17Å; F232-V236 HydrophobicContact CE1-CB 4.06Å; F232-V236 HydrophobicContact CE1-CG1 4.15Å; F232-V236 HydrophobicContact CE2-CB 4.22Å; F232-V236 HydrophobicContact CE2-CG1 4.15Å; F232-V236 HydrophobicContact CE2-CG2 4.29Å; F232-V236 HydrophobicContact CG-CB 4.31Å; F232-V236 HydrophobicContact CG-CG2 4.41Å; F232-V236 HydrophobicContact CZ-CB 4.07Å; F232-V236 HydrophobicContact CZ-CG1 3.81Å; F232-V236 WeakPolarHBondContact O-CB 3.44Å; F232-V236 PolarHBondContact O-N 3.32Å; F232-A237 HydrophobicContact CD1-CB 4.37Å; F232-A237 HydrophobicContact CE1-CB 4.33Å; F232-A237 PolarHBondContact O-N 3.41Å; F232-L273 HydrophobicContact CB-CD2 4.22Å; F232-L273 HydrophobicContact CD1-CD1 3.66Å; F232-L273 HydrophobicContact CD1-CD2 3.98Å; F232-L273 HydrophobicContact CE1-CD1 3.94Å; F232-L273 HydrophobicContact CG-CD2 4.47Å |
| 233 | A | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -57.2 | -47.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | M229 K230 E238 L273 R274 W277 | M229-A233 PolarHBondContact O-N 3.24Å; M229-A233 VanDerWaalsContact O-N 3.08Å; K230-A233 WeakPolarHBondContact O-CB 3.32Å; K230-A233 PolarHBondContact O-N 3.2Å; K230-A233 VanDerWaalsContact O-N 3.11Å; A233-E238 PolarHBondContact O-N 2.97Å; A233-L273 HydrophobicContact CB-CB 4.2Å; A233-L273 HydrophobicContact CB-CD2 4.17Å; A233-R274 HydrophobicContact CB-CG 4.35Å; A233-W277 HydrophobicContact CB-CH2 3.91Å |
| 234 | D | 97.3 | Very high | 96.5 | Very high | 54 Ų | 54 | 45.1 Ų | 45.1 | 29% | 0.289 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -76.4 | -39.1 | -173.3 | -65.6 | 2.3 | 0 | 0 | 0 | 112.8 | K230 F232 R274 | K230-D234 WeakPolarHBondContact CE-OD2 3.46Å; K230-D234 WeakPolarHBondContact CG-OD2 3.23Å; K230-D234 WeakPolarHBondContact O-CB 3.38Å; K230-D234 VanDerWaalsContact O-CG 3.26Å; K230-D234 PolarHBondContact O-N 3.13Å; F232-D234 VanDerWaalsContact C-N 3.32Å; F232-D234 PolarHBondContact O-N 2.91Å; D234-R274 IonicContact OD1-CZ 3Å; D234-R274 IonicContact OD1-NE 2.99Å; D234-R274 IonicContact OD1-NH2 2.73Å; D234-R274 PolarHBondContact OD1-NH2 2.98Å |
| 235 | H | 97.3 | Very high | 96.3 | Very high | 54 Ų | 54 | 45.6 Ų | 45.6 | 25% | 0.25 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -100.7 | -18 | -172.8 | -60.9 | 95 | 0 | 0 | 0 | 115.6 | T168 L171 S175 L231 | T168-H235 WeakPolarHBondContact CG2-NE2 3.22Å; L171-H235 HydrophobicContact CB-CB 4.23Å; S175-H235 VanDerWaalsContact CB-O 3.27Å; S175-H235 WeakPolarHBondContact CB-O 3.44Å; S175-H235 PolarHBondContact OG-O 3.2Å; L231-H235 WeakPolarHBondContact O-CB 3.4Å; L231-H235 PolarHBondContact O-N 3.03Å; L231-H235 PolarHBondContact O-ND1 3.3Å |
| 236 | V | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -121.4 | -51.6 | -176.4 | -170 | 0 | 0 | 0 | 0 | 111.5 | L171 V174 L178 F190 F232 H240 | L171-V236 HydrophobicContact CB-CG2 3.86Å; L171-V236 HydrophobicContact CD2-CG2 3.73Å; L171-V236 HydrophobicContact CG-CG2 4.37Å; L171-V236 WeakPolarHBondContact O-CG2 3.27Å; V174-V236 HydrophobicContact CG1-CG1 4.45Å; L178-V236 HydrophobicContact CD1-CG1 3.63Å; F190-V236 HydrophobicContact CE2-CG1 4.37Å; F232-V236 HydrophobicContact CD1-CB 4.19Å; F232-V236 HydrophobicContact CD2-CB 4.33Å; F232-V236 HydrophobicContact CD2-CG2 4.17Å; F232-V236 HydrophobicContact CE1-CB 4.06Å; F232-V236 HydrophobicContact CE1-CG1 4.15Å; F232-V236 HydrophobicContact CE2-CB 4.22Å; F232-V236 HydrophobicContact CE2-CG1 4.15Å; F232-V236 HydrophobicContact CE2-CG2 4.29Å; F232-V236 HydrophobicContact CG-CB 4.31Å; F232-V236 HydrophobicContact CG-CG2 4.41Å; F232-V236 HydrophobicContact CZ-CB 4.07Å; F232-V236 HydrophobicContact CZ-CG1 3.81Å; F232-V236 WeakPolarHBondContact O-CB 3.44Å; F232-V236 PolarHBondContact O-N 3.32Å; V236-H240 PolarHBondContact O-N 3.33Å; V236-H240 PolarHBondContact O-ND1 3.17Å |
| 237 | A | 96.1 | Very high | 96 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -74 | -48.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F190 F232 E239 H240 L241 L270 L273 W277 | F190-A237 HydrophobicContact CE2-CB 4.27Å; F190-A237 HydrophobicContact CZ-CB 4.06Å; F232-A237 HydrophobicContact CD1-CB 4.37Å; F232-A237 HydrophobicContact CE1-CB 4.33Å; F232-A237 PolarHBondContact O-N 3.41Å; A237-E239 PolarHBondContact O-N 3.17Å; A237-H240 CarbonylContact O-C 3.46Å; A237-H240 PolarHBondContact O-N 2.85Å; A237-H240 VanDerWaalsContact O-N 3.12Å; A237-L241 WeakPolarHBondContact O-CB 3.21Å; A237-L241 PolarHBondContact O-N 3.39Å; A237-L270 HydrophobicContact CB-CD2 4.37Å; A237-L273 HydrophobicContact CB-CD1 4.18Å; A237-W277 HydrophobicContact CB-CH2 3.5Å; A237-W277 HydrophobicContact CB-CZ2 4.41Å; A237-W277 HydrophobicContact CB-CZ3 3.88Å |
| 238 | E | 95.5 | Very high | 95.7 | Very high | 79 Ų | 79 | 37.8 Ų | 37.8 | 37% | 0.369 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56.9 | -49 | -179.6 | -162.3 | 70.7 | -137.1 | 0 | 0 | 112 | A233 H240 L241 R274 W277 | A233-E238 PolarHBondContact O-N 2.97Å; E238-H240 PolarHBondContact O-N 3.44Å; E238-H240 VanDerWaalsContact O-N 3.17Å; E238-L241 WeakPolarHBondContact O-CB 3.37Å; E238-L241 PolarHBondContact O-N 3.33Å; E238-R274 IonicContact OE2-CZ 3.89Å; E238-R274 VanDerWaalsContact OE2-CZ 3.23Å; E238-R274 IonicContact OE2-NH1 3.99Å; E238-R274 PolarHBondContact OE2-NH1 2.99Å; E238-R274 IonicContact OE2-NH2 2.71Å; E238-R274 PolarHBondContact OE2-NH2 3.47Å; E238-W277 WeakPolarHBondContact OE2-CZ2 3.3Å; E238-W277 PolarHBondContact OE2-NE1 2.96Å |
| 239 | E | 94.8 | Very high | 95.5 | Very high | 103 Ų | 103 | 41.3 Ų | 41.3 | 48% | 0.481 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -52.7 | -35.4 | 175.7 | -73.3 | -66.6 | 131.3 | 0 | 0 | 113.5 | Q179 A237 | Q179-E239 PolarHBondContact NE2-OE2 3Å; A237-E239 PolarHBondContact O-N 3.17Å |
| 240 | H | 95.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -97.6 | -19.6 | -176.7 | -70.3 | 87.8 | 0 | 0 | 0 | 113.7 | S175 L178 Q179 V236 A237 E238 S242 K243 L244 | S175-H240 PolarHBondContact O-CE1 2.88Å; S175-H240 PolarHBondContact OG-CE1 3.36Å; L178-H240 VanDerWaalsContact CB-NE2 3.34Å; L178-H240 WeakPolarHBondContact CB-NE2 3.12Å; Q179-H240 VanDerWaalsContact CG-NE2 3.31Å; Q179-H240 WeakPolarHBondContact CG-NE2 3.32Å; Q179-H240 PolarHBondContact N-NE2 3.41Å; V236-H240 PolarHBondContact O-N 3.33Å; V236-H240 PolarHBondContact O-ND1 3.17Å; A237-H240 CarbonylContact O-C 3.46Å; A237-H240 PolarHBondContact O-N 2.85Å; A237-H240 VanDerWaalsContact O-N 3.12Å; E238-H240 PolarHBondContact O-N 3.44Å; E238-H240 VanDerWaalsContact O-N 3.17Å; H240-S242 VanDerWaalsContact C-N 3.27Å; H240-S242 PolarHBondContact O-N 2.9Å; H240-K243 PolarHBondContact O-N 3.19Å; H240-L244 VanDerWaalsContact O-CB 3.26Å; H240-L244 WeakPolarHBondContact O-CB 3.08Å; H240-L244 PolarHBondContact O-N 2.7Å |
| 241 | L | 94 | Very high | 94.9 | Very high | 11 Ų | 11 | 40.4 Ų | 40.4 | 6% | 0.058 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55 | -41.4 | -171.7 | -173.8 | 62.9 | 0 | 0 | 0 | 112.8 | A237 E238 K243 L244 M245 W277 L280 | A237-L241 WeakPolarHBondContact O-CB 3.21Å; A237-L241 PolarHBondContact O-N 3.39Å; E238-L241 WeakPolarHBondContact O-CB 3.37Å; E238-L241 PolarHBondContact O-N 3.33Å; L241-K243 VanDerWaalsContact C-N 3.28Å; L241-K243 PolarHBondContact O-N 2.94Å; L241-L244 PolarHBondContact O-N 3.1Å; L241-M245 HydrophobicContact CD1-CB 4.46Å; L241-M245 HydrophobicContact CD1-CE 3.73Å; L241-M245 VanDerWaalsContact O-CB 3.32Å; L241-M245 WeakPolarHBondContact O-CB 3.31Å; L241-M245 PolarHBondContact O-N 3.12Å; L241-W277 HydrophobicContact CD1-CD2 4.5Å; L241-W277 HydrophobicContact CD1-CG 4.47Å; L241-W277 VanDerWaalsContact CD2-CD1 3.44Å; L241-W277 HydrophobicContact CD2-CD2 3.99Å; L241-W277 HydrophobicContact CD2-CG 3.81Å; L241-L280 HydrophobicContact CD1-CD1 4.34Å; L241-L280 HydrophobicContact CD2-CD1 3.72Å; L241-L280 HydrophobicContact CG-CD1 4.08Å |
| 242 | S | 92.6 | Very high | 94.4 | Very high | 91 Ų | 91 | 43.6 Ų | 43.6 | 64% | 0.636 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -59.7 | -33.1 | 178 | 61.6 | 0 | 0 | 0 | 0 | 114 | H240 P246 | H240-S242 VanDerWaalsContact C-N 3.27Å; H240-S242 PolarHBondContact O-N 2.9Å; S242-P246 WeakPolarHBondContact O-CD 3.32Å |
| 243 | K | 93.5 | Very high | 93.9 | Very high | 104 Ų | 104 | 47.7 Ų | 47.7 | 45% | 0.452 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -91.9 | -40.3 | 177.5 | -62.3 | 170.6 | -174.4 | 165.7 | 0 | 111.4 | L186 H240 L241 L247 | L186-K243 HydrophobicContact CD2-CB 3.95Å; H240-K243 PolarHBondContact O-N 3.19Å; L241-K243 VanDerWaalsContact C-N 3.28Å; L241-K243 PolarHBondContact O-N 2.94Å; K243-L247 WeakPolarHBondContact O-CD1 3.21Å; K243-L247 VanDerWaalsContact O-CG 3.3Å; K243-L247 WeakPolarHBondContact O-CG 3.38Å |
| 244 | L | 94.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.2 | -45.1 | -174.7 | -178.4 | 64.7 | 0 | 0 | 0 | 111.9 | I187 F190 H240 L241 L247 L248 V266 L270 | I187-L244 HydrophobicContact CB-CD1 4.47Å; I187-L244 HydrophobicContact CG1-CD1 3.83Å; F190-L244 HydrophobicContact CB-CD1 4.5Å; F190-L244 HydrophobicContact CD1-CD2 3.57Å; F190-L244 HydrophobicContact CD2-CD2 4.18Å; F190-L244 HydrophobicContact CE1-CD2 3.67Å; F190-L244 HydrophobicContact CE2-CD2 4.28Å; F190-L244 HydrophobicContact CG-CD2 3.84Å; F190-L244 HydrophobicContact CZ-CD2 4.03Å; H240-L244 VanDerWaalsContact O-CB 3.26Å; H240-L244 WeakPolarHBondContact O-CB 3.08Å; H240-L244 PolarHBondContact O-N 2.7Å; L241-L244 PolarHBondContact O-N 3.1Å; L244-L247 WeakPolarHBondContact O-CB 3.4Å; L244-L247 PolarHBondContact O-N 3.16Å; L244-L247 VanDerWaalsContact O-N 3.09Å; L244-L248 HydrophobicContact CD1-CD1 4.36Å; L244-L248 HydrophobicContact CD1-CD2 4.39Å; L244-L248 HydrophobicContact CD1-CG 4.19Å; L244-L248 HydrophobicContact CD2-CD1 4.38Å; L244-L248 HydrophobicContact CG-CD1 3.88Å; L244-L248 HydrophobicContact CG-CG 4.16Å; L244-L248 WeakPolarHBondContact O-CG 3.34Å; L244-L248 PolarHBondContact O-N 3.45Å; L244-V266 HydrophobicContact CD2-CG1 4.25Å; L244-L270 HydrophobicContact CD2-CD1 4.13Å |
| 245 | M | 94.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 54.1 Ų | 54.1 | 5% | 0.049 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.5 | -43.4 | -172.5 | -163.5 | 54.5 | 59 | 0 | 0 | 113.6 | L241 L247 L248 I249 L270 L280 A281 L284 F285 | L241-M245 HydrophobicContact CD1-CB 4.46Å; L241-M245 HydrophobicContact CD1-CE 3.73Å; L241-M245 VanDerWaalsContact O-CB 3.32Å; L241-M245 WeakPolarHBondContact O-CB 3.31Å; L241-M245 PolarHBondContact O-N 3.12Å; M245-L247 VanDerWaalsContact C-N 3.28Å; M245-L247 PolarHBondContact O-N 3.15Å; M245-L248 HydrophobicContact CE-CD1 3.99Å; M245-L248 PolarHBondContact O-N 2.94Å; M245-L248 HydrophobicContact SD-CD1 4.14Å; M245-I249 HydrophobicContact CG-CD1 4.38Å; M245-I249 WeakPolarHBondContact O-CG1 3.3Å; M245-I249 PolarHBondContact O-N 3.45Å; M245-I249 VanDerWaalsContact O-N 3.09Å; M245-L270 HydrophobicContact CE-CD1 3.82Å; M245-L280 HydrophobicContact CG-CB 4.39Å; M245-A281 HydrophobicContact CG-CB 4.28Å; M245-A281 HydrophobicContact SD-CB 3.79Å; M245-L284 HydrophobicContact SD-CD2 3.82Å; M245-F285 HydrophobicContact CE-CE2 3.72Å; M245-F285 HydrophobicContact CE-CZ 3.89Å; M245-F285 HydrophobicContact SD-CE2 3.97Å |
| 246 | P | 93.9 | Very high | 91.8 | Very high | 77 Ų | 77 | 61.1 Ų | 61.1 | 50% | 0.5 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60 | -34.3 | 171.1 | -25.1 | 35.6 | 0 | 0 | 0 | 113.9 | S242 K250 | S242-P246 WeakPolarHBondContact O-CD 3.32Å; P246-K250 VanDerWaalsContact O-CB 3.27Å; P246-K250 WeakPolarHBondContact O-CB 3.3Å; P246-K250 PolarHBondContact O-N 3.02Å |
| 247 | L | 93.8 | Very high | 91.3 | Very high | 37 Ų | 37 | 65.6 Ų | 65.6 | 19% | 0.194 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.5 | -42 | 177.3 | -63.8 | 168.7 | 0 | 0 | 0 | 111.6 | T183 L186 I187 K243 L244 M245 K250 A251 | T183-L247 HydrophobicContact CG2-CD1 3.75Å; T183-L247 HydrophobicContact CG2-CD2 4.17Å; L186-L247 HydrophobicContact CB-CD1 4.2Å; L186-L247 HydrophobicContact CD2-CD1 4Å; I187-L247 HydrophobicContact CD1-CB 3.95Å; I187-L247 HydrophobicContact CG1-CB 4.28Å; K243-L247 WeakPolarHBondContact O-CD1 3.21Å; K243-L247 VanDerWaalsContact O-CG 3.3Å; K243-L247 WeakPolarHBondContact O-CG 3.38Å; L244-L247 WeakPolarHBondContact O-CB 3.4Å; L244-L247 PolarHBondContact O-N 3.16Å; L244-L247 VanDerWaalsContact O-N 3.09Å; M245-L247 VanDerWaalsContact C-N 3.28Å; M245-L247 PolarHBondContact O-N 3.15Å; L247-K250 PolarHBondContact O-N 2.87Å; L247-A251 WeakPolarHBondContact O-CB 3.39Å; L247-A251 PolarHBondContact O-N 3.31Å |
| 248 | L | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.3 | -44 | 176 | -65.5 | 170.2 | 0 | 0 | 0 | 111.3 | I187 L244 M245 A251 H252 M263 V266 L270 L284 | I187-L248 HydrophobicContact CD1-CD2 3.99Å; I187-L248 HydrophobicContact CG1-CD2 3.93Å; I187-L248 HydrophobicContact CG2-CD2 3.86Å; L244-L248 HydrophobicContact CD1-CD1 4.36Å; L244-L248 HydrophobicContact CD1-CD2 4.39Å; L244-L248 HydrophobicContact CD1-CG 4.19Å; L244-L248 HydrophobicContact CD2-CD1 4.38Å; L244-L248 HydrophobicContact CG-CD1 3.88Å; L244-L248 HydrophobicContact CG-CG 4.16Å; L244-L248 WeakPolarHBondContact O-CG 3.34Å; L244-L248 PolarHBondContact O-N 3.45Å; M245-L248 HydrophobicContact CE-CD1 3.99Å; M245-L248 PolarHBondContact O-N 2.94Å; M245-L248 HydrophobicContact SD-CD1 4.14Å; L248-A251 PolarHBondContact O-N 2.93Å; L248-H252 VanDerWaalsContact O-CB 3.27Å; L248-H252 WeakPolarHBondContact O-CB 3.29Å; L248-H252 PolarHBondContact O-N 3.48Å; L248-M263 HydrophobicContact CB-SD 4.24Å; L248-M263 HydrophobicContact CD2-CE 4.13Å; L248-M263 HydrophobicContact CD2-SD 3.53Å; L248-M263 VanDerWaalsContact CD2-SD 3.53Å; L248-M263 HydrophobicContact CG-SD 4.47Å; L248-V266 HydrophobicContact CD1-CG1 3.95Å; L248-V266 HydrophobicContact CD2-CB 4.44Å; L248-V266 HydrophobicContact CD2-CG1 3.95Å; L248-L270 HydrophobicContact CD1-CD1 3.95Å; L248-L284 HydrophobicContact CB-CD2 3.68Å; L248-L284 HydrophobicContact CD1-CD2 4.46Å |
| 249 | I | 92.8 | Very high | 90.7 | Very high | 74 Ų | 74 | 68.6 Ų | 68.6 | 38% | 0.379 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 175.8 | -63.7 | 168.2 | 0 | 0 | 0 | 111.1 | M245 S253 A281 L284 | M245-I249 HydrophobicContact CG-CD1 4.38Å; M245-I249 WeakPolarHBondContact O-CG1 3.3Å; M245-I249 PolarHBondContact O-N 3.45Å; M245-I249 VanDerWaalsContact O-N 3.09Å; I249-S253 PolarHBondContact O-N 3.31Å; I249-S253 PolarHBondContact O-OG 3.45Å; I249-A281 HydrophobicContact CD1-CB 3.91Å; I249-A281 HydrophobicContact CG1-CB 4.09Å; I249-L284 HydrophobicContact CG1-CD2 4.3Å |
| 250 | K | 91.9 | Very high | 90.5 | Very high | 117 Ų | 117 | 68 Ų | 68 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 177.5 | 177.5 | 177.4 | 173.8 | -176.3 | 0 | 112 | P246 L247 S253 M254 | P246-K250 VanDerWaalsContact O-CB 3.27Å; P246-K250 WeakPolarHBondContact O-CB 3.3Å; P246-K250 PolarHBondContact O-N 3.02Å; L247-K250 PolarHBondContact O-N 2.87Å; K250-S253 WeakPolarHBondContact O-CB 3.25Å; K250-S253 PolarHBondContact O-N 2.7Å; K250-M254 HydrophobicContact CD-CE 4.11Å; K250-M254 VanDerWaalsContact CE-CE 3.46Å; K250-M254 HydrophobicContact CG-CE 3.45Å; K250-M254 VanDerWaalsContact CG-CE 3.45Å; K250-M254 PolarHBondContact O-N 3.47Å |
| 251 | A | 90.4 | Very high | 90.4 | Very high | 7 Ų | 7 | 72 Ų | 72 | 6% | 0.058 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -71.5 | -34.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I187 L247 L248 S253 M254 V258 M263 | I187-A251 HydrophobicContact CD1-CB 4.18Å; L247-A251 WeakPolarHBondContact O-CB 3.39Å; L247-A251 PolarHBondContact O-N 3.31Å; L248-A251 PolarHBondContact O-N 2.93Å; A251-S253 PolarHBondContact O-N 3.04Å; A251-M254 CarbonylContact O-C 3.6Å; A251-M254 PolarHBondContact O-N 3.29Å; A251-M254 VanDerWaalsContact O-N 3.1Å; A251-V258 HydrophobicContact CB-CB 4.29Å; A251-V258 HydrophobicContact CB-CG2 3.69Å; A251-M263 HydrophobicContact CB-CE 3.67Å |
| 252 | H | 88.3 | Confident | 90.4 | Very high | 92 Ų | 92 | 72.5 Ų | 72.5 | 43% | 0.426 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.1 | -28.6 | 170.4 | -177.5 | 81.4 | 0 | 0 | 0 | 112.3 | L248 M254 L284 S287 F288 | L248-H252 VanDerWaalsContact O-CB 3.27Å; L248-H252 WeakPolarHBondContact O-CB 3.29Å; L248-H252 PolarHBondContact O-N 3.48Å; H252-M254 VanDerWaalsContact C-N 3.34Å; H252-L284 HydrophobicContact CB-CD1 3.6Å; H252-S287 PolarHBondContact CE1-OG 3.41Å; H252-F288 AromaticContact ND1-CE2 3.84Å |
| 253 | S | 87.9 | Confident | 90.4 | Very high | 87 Ų | 87 | 68.6 Ų | 68.6 | 61% | 0.608 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -6 | 176.1 | -52.2 | 0 | 0 | 0 | 0 | 114.1 | I249 K250 A251 | I249-S253 PolarHBondContact O-N 3.31Å; I249-S253 PolarHBondContact O-OG 3.45Å; K250-S253 WeakPolarHBondContact O-CB 3.25Å; K250-S253 PolarHBondContact O-N 2.7Å; A251-S253 PolarHBondContact O-N 3.04Å |
| 254 | M | 86 | Confident | 90.4 | Very high | 83 Ų | 83 | 64.6 Ų | 64.6 | 41% | 0.409 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -131.5 | 105.4 | -176.8 | -76.7 | -169.9 | -75.4 | 0 | 0 | 111.8 | K250 A251 H252 F256 Q257 | K250-M254 HydrophobicContact CD-CE 4.11Å; K250-M254 VanDerWaalsContact CE-CE 3.46Å; K250-M254 HydrophobicContact CG-CE 3.45Å; K250-M254 VanDerWaalsContact CG-CE 3.45Å; K250-M254 PolarHBondContact O-N 3.47Å; A251-M254 CarbonylContact O-C 3.6Å; A251-M254 PolarHBondContact O-N 3.29Å; A251-M254 VanDerWaalsContact O-N 3.1Å; H252-M254 VanDerWaalsContact C-N 3.34Å; M254-F256 PolarHBondContact O-N 3.01Å; M254-Q257 HydrophobicContact CB-CB 4.45Å; M254-Q257 VanDerWaalsContact CE-OE1 3.29Å; M254-Q257 PolarHBondContact O-N 2.88Å |
| 255 | P | 80.2 | Confident | 90.5 | Very high | 108 Ų | 108 | 66.4 Ų | 66.4 | 70% | 0.701 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 140.6 | 179.3 | -28.7 | 35.9 | 0 | 0 | 0 | 113.3 | Q257 | P255-Q257 PolarHBondContact O-N 3.47Å; P255-Q257 VanDerWaalsContact O-N 3.13Å |
| 256 | F | 81.8 | Confident | 90.6 | Very high | 201 Ų | 201 | 65.9 Ų | 65.9 | 88% | 0.882 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 1.2 | 176 | -41.1 | -72.6 | 0 | 0 | 0 | 117.1 | M254 V258 | M254-F256 PolarHBondContact O-N 3.01Å; F256-V258 VanDerWaalsContact C-N 3.34Å; F256-V258 PolarHBondContact O-N 2.84Å |
| 257 | Q | 85.5 | Confident | 90.7 | Very high | 94 Ų | 94 | 62.2 Ų | 62.2 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -64.2 | -39.6 | 174.7 | -169.7 | -170.6 | -18.8 | 0 | 0 | 112 | M254 P255 | M254-Q257 HydrophobicContact CB-CB 4.45Å; M254-Q257 VanDerWaalsContact CE-OE1 3.29Å; M254-Q257 PolarHBondContact O-N 2.88Å; P255-Q257 PolarHBondContact O-N 3.47Å; P255-Q257 VanDerWaalsContact O-N 3.13Å |
| 258 | V | 89.5 | Confident | 90.7 | Very high | 17 Ų | 17 | 65.4 Ų | 65.4 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -128.5 | 143.7 | 178.5 | 171.5 | 0 | 0 | 0 | 0 | 108.3 | I187 A251 F256 T262 M263 | I187-V258 HydrophobicContact CD1-CG2 3.86Å; I187-V258 HydrophobicContact CG2-CG1 4.02Å; I187-V258 HydrophobicContact CG2-CG2 4.43Å; A251-V258 HydrophobicContact CB-CB 4.29Å; A251-V258 HydrophobicContact CB-CG2 3.69Å; F256-V258 VanDerWaalsContact C-N 3.34Å; F256-V258 PolarHBondContact O-N 2.84Å; V258-T262 HydrophobicContact CG1-CG2 4.16Å; V258-M263 HydrophobicContact CB-CE 4.1Å; V258-M263 HydrophobicContact CG1-CB 4.2Å; V258-M263 HydrophobicContact CG1-CE 4.07Å; V258-M263 HydrophobicContact CG2-CE 4.42Å |
| 259 | Q | 91.2 | Very high | 90.8 | Very high | 126 Ų | 126 | 65.7 Ų | 65.7 | 59% | 0.589 | 35% | 0.352 | S | S | * | . | trans | -64.3 | 132.5 | 176.7 | -71 | -64.1 | -24 | 0 | 0 | 110.9 | S261 T262 M263 | Q259-S261 PolarHBondContact O-N 3.01Å; Q259-S261 VanDerWaalsContact O-N 3.11Å; Q259-T262 WeakPolarHBondContact O-CB 3.33Å; Q259-T262 PolarHBondContact O-N 3.47Å; Q259-M263 PolarHBondContact O-N 2.94Å | ||
| 260 | P | 90.4 | Very high | 90.9 | Very high | 90 Ų | 90 | 62.1 Ų | 62.1 | 58% | 0.584 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -57.4 | -29.5 | -178.8 | -27.9 | 35.6 | 0 | 0 | 0 | 114.2 | A264 | P260-A264 VanDerWaalsContact O-CB 3.24Å; P260-A264 WeakPolarHBondContact O-CB 3.48Å; P260-A264 PolarHBondContact O-N 2.91Å |
| 261 | S | 92.4 | Very high | 91 | Very high | 86 Ų | 86 | 60.2 Ų | 60.2 | 60% | 0.601 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.2 | -47.2 | 172.5 | 47.1 | 0 | 0 | 0 | 0 | 112.5 | Q259 A264 S265 | Q259-S261 PolarHBondContact O-N 3.01Å; Q259-S261 VanDerWaalsContact O-N 3.11Å; S261-A264 PolarHBondContact O-N 3.21Å; S261-S265 WeakPolarHBondContact O-CB 3.25Å; S261-S265 PolarHBondContact O-N 2.69Å |
| 262 | T | 94.6 | Very high | 91.2 | Very high | 21 Ų | 21 | 63.6 Ų | 63.6 | 13% | 0.129 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59 | -48.6 | 173.9 | -54.8 | 0 | 0 | 0 | 0 | 110.7 | I187 N191 V258 Q259 A264 S265 V266 | I187-T262 HydrophobicContact CG2-CG2 4.11Å; N191-T262 HydrophobicContact CB-CG2 3.78Å; V258-T262 HydrophobicContact CG1-CG2 4.16Å; Q259-T262 WeakPolarHBondContact O-CB 3.33Å; Q259-T262 PolarHBondContact O-N 3.47Å; T262-A264 PolarHBondContact O-N 2.69Å; T262-S265 WeakPolarHBondContact O-CB 3.47Å; T262-S265 PolarHBondContact O-N 2.89Å; T262-V266 WeakPolarHBondContact O-CG2 3.4Å; T262-V266 PolarHBondContact O-N 2.87Å |
| 263 | M | 93.1 | Very high | 91.5 | Very high | 8 Ų | 8 | 60.2 Ų | 60.2 | 4% | 0.039 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.7 | -49 | 178.7 | -173.7 | 64.8 | 70.8 | 0 | 0 | 111.7 | L248 A251 V258 Q259 S265 V266 V267 L284 F288 | L248-M263 HydrophobicContact CB-SD 4.24Å; L248-M263 HydrophobicContact CD2-CE 4.13Å; L248-M263 HydrophobicContact CD2-SD 3.53Å; L248-M263 VanDerWaalsContact CD2-SD 3.53Å; L248-M263 HydrophobicContact CG-SD 4.47Å; A251-M263 HydrophobicContact CB-CE 3.67Å; V258-M263 HydrophobicContact CB-CE 4.1Å; V258-M263 HydrophobicContact CG1-CB 4.2Å; V258-M263 HydrophobicContact CG1-CE 4.07Å; V258-M263 HydrophobicContact CG2-CE 4.42Å; Q259-M263 PolarHBondContact O-N 2.94Å; M263-S265 VanDerWaalsContact C-N 3.31Å; M263-S265 PolarHBondContact O-N 3.31Å; M263-V266 PolarHBondContact O-N 3.31Å; M263-V267 WeakPolarHBondContact O-CB 3.32Å; M263-V267 VanDerWaalsContact O-CG2 3.29Å; M263-V267 WeakPolarHBondContact O-CG2 3.49Å; M263-V267 PolarHBondContact O-N 2.94Å; M263-V267 HydrophobicContact SD-CG2 4.31Å; M263-L284 HydrophobicContact SD-CD1 4.31Å; M263-F288 HydrophobicContact CB-CE1 4.44Å; M263-F288 HydrophobicContact CB-CZ 4Å; M263-F288 HydrophobicContact CG-CD2 4.4Å; M263-F288 HydrophobicContact CG-CE1 4.13Å; M263-F288 HydrophobicContact CG-CE2 3.44Å; M263-F288 VanDerWaalsContact CG-CE2 3.44Å; M263-F288 HydrophobicContact CG-CZ 3.28Å; M263-F288 HydrophobicContact SD-CE2 4.49Å |
| 264 | A | 93.4 | Very high | 91.8 | Very high | 20 Ų | 20 | 59.3 Ų | 59.3 | 17% | 0.165 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.2 | -36.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P260 S261 T262 K268 F288 | P260-A264 VanDerWaalsContact O-CB 3.24Å; P260-A264 WeakPolarHBondContact O-CB 3.48Å; P260-A264 PolarHBondContact O-N 2.91Å; S261-A264 PolarHBondContact O-N 3.21Å; T262-A264 PolarHBondContact O-N 2.69Å; A264-K268 VanDerWaalsContact O-CB 3.24Å; A264-K268 WeakPolarHBondContact O-CB 3.29Å; A264-K268 WeakPolarHBondContact O-CD 3.27Å; A264-K268 WeakPolarHBondContact O-CG 3.37Å; A264-K268 PolarHBondContact O-N 3.32Å; A264-F288 HydrophobicContact CB-CD1 3.57Å; A264-F288 HydrophobicContact CB-CE1 4.02Å; A264-F288 HydrophobicContact CB-CG 4.35Å |
| 265 | S | 96.3 | Very high | 92.1 | Very high | 39 Ų | 39 | 58.9 Ų | 58.9 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.8 | -51.3 | 177.1 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | N191 T195 S261 T262 M263 K268 G269 | N191-S265 WeakPolarHBondContact OD1-CB 3.35Å; N191-S265 PolarHBondContact OD1-OG 3.12Å; T195-S265 WeakPolarHBondContact CG2-OG 3.49Å; S261-S265 WeakPolarHBondContact O-CB 3.25Å; S261-S265 PolarHBondContact O-N 2.69Å; T262-S265 WeakPolarHBondContact O-CB 3.47Å; T262-S265 PolarHBondContact O-N 2.89Å; M263-S265 VanDerWaalsContact C-N 3.31Å; M263-S265 PolarHBondContact O-N 3.31Å; S265-K268 PolarHBondContact O-N 3.19Å; S265-G269 PolarHBondContact O-N 3.3Å |
| 266 | V | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.6 | -48.6 | 177.4 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | I187 F190 N191 L244 L248 T262 M263 K268 G269 L270 | I187-V266 HydrophobicContact CG2-CG2 4.33Å; F190-V266 HydrophobicContact CD1-CG1 3.94Å; F190-V266 HydrophobicContact CD1-CG2 4.29Å; F190-V266 HydrophobicContact CE1-CG1 4.08Å; N191-V266 HydrophobicContact CB-CG2 3.55Å; L244-V266 HydrophobicContact CD2-CG1 4.25Å; L248-V266 HydrophobicContact CD1-CG1 3.95Å; L248-V266 HydrophobicContact CD2-CB 4.44Å; L248-V266 HydrophobicContact CD2-CG1 3.95Å; T262-V266 WeakPolarHBondContact O-CG2 3.4Å; T262-V266 PolarHBondContact O-N 2.87Å; M263-V266 PolarHBondContact O-N 3.31Å; V266-K268 PolarHBondContact O-N 3.32Å; V266-G269 PolarHBondContact O-N 2.93Å; V266-L270 HydrophobicContact CG1-CD1 3.84Å; V266-L270 HydrophobicContact CG1-CG 4.25Å; V266-L270 WeakPolarHBondContact O-CB 3.33Å; V266-L270 VanDerWaalsContact O-CG 3.32Å; V266-L270 WeakPolarHBondContact O-CG 3.38Å; V266-L270 PolarHBondContact O-N 2.99Å |
| 267 | V | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.1 | -43.6 | -178.3 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | M263 Y271 L284 F285 F288 I289 | M263-V267 WeakPolarHBondContact O-CB 3.32Å; M263-V267 VanDerWaalsContact O-CG2 3.29Å; M263-V267 WeakPolarHBondContact O-CG2 3.49Å; M263-V267 PolarHBondContact O-N 2.94Å; M263-V267 HydrophobicContact SD-CG2 4.31Å; V267-Y271 PolarHBondContact O-N 3.08Å; V267-Y271 VanDerWaalsContact O-N 3.11Å; V267-L284 HydrophobicContact CG2-CD1 4.46Å; V267-L284 HydrophobicContact CG2-CD2 4.28Å; V267-L284 HydrophobicContact CG2-CG 4.19Å; V267-F285 HydrophobicContact CG1-CB 4.21Å; V267-F285 HydrophobicContact CG1-CD1 3.63Å; V267-F285 HydrophobicContact CG1-CE1 4.13Å; V267-F285 HydrophobicContact CG1-CG 3.86Å; V267-F285 WeakPolarHBondContact O-CE1 3.29Å; V267-F288 HydrophobicContact CB-CB 4.36Å; V267-F288 HydrophobicContact CB-CD2 4.13Å; V267-F288 HydrophobicContact CB-CG 4.45Å; V267-F288 HydrophobicContact CG1-CB 3.94Å; V267-F288 HydrophobicContact CG1-CD2 4.04Å; V267-F288 HydrophobicContact CG1-CG 4.37Å; V267-F288 HydrophobicContact CG2-CD2 3.98Å; V267-F288 HydrophobicContact CG2-CE2 4.41Å; V267-I289 HydrophobicContact CG1-CD1 4.31Å; V267-I289 HydrophobicContact CG1-CG1 4.41Å |
| 268 | K | 94.6 | Very high | 93.2 | Very high | 104 Ų | 104 | 47.4 Ų | 47.4 | 45% | 0.452 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68 | -38.3 | 176.5 | -72.2 | 172.6 | -176.1 | -175.3 | 0 | 112.6 | A264 S265 V266 Y271 S272 F288 I289 | A264-K268 VanDerWaalsContact O-CB 3.24Å; A264-K268 WeakPolarHBondContact O-CB 3.29Å; A264-K268 WeakPolarHBondContact O-CD 3.27Å; A264-K268 WeakPolarHBondContact O-CG 3.37Å; A264-K268 PolarHBondContact O-N 3.32Å; S265-K268 PolarHBondContact O-N 3.19Å; V266-K268 PolarHBondContact O-N 3.32Å; K268-Y271 PolarHBondContact O-N 3.02Å; K268-S272 WeakPolarHBondContact O-CB 3.41Å; K268-S272 PolarHBondContact O-N 2.93Å; K268-S272 PolarHBondContact O-OG 2.9Å; K268-F288 WeakPolarHBondContact CE-O 3.4Å; K268-I289 HydrophobicContact CG-CD1 4.31Å; K268-I289 HydrophobicContact CG-CG1 4.03Å |
| 269 | G | 95.2 | Very high | 93.2 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.4 | -41.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S265 V266 Y271 S272 L273 | S265-G269 PolarHBondContact O-N 3.3Å; V266-G269 PolarHBondContact O-N 2.93Å; G269-Y271 PolarHBondContact O-N 3.05Å; G269-S272 CarbonylContact O-C 3.52Å; G269-S272 PolarHBondContact O-N 3.16Å; G269-S272 VanDerWaalsContact O-N 3.12Å; G269-L273 WeakPolarHBondContact O-CG 3.27Å; G269-L273 PolarHBondContact O-N 3.21Å |
| 270 | L | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58 | -46.6 | 171.8 | -73.4 | 174 | 0 | 0 | 0 | 111.3 | F190 A237 L244 M245 L248 V266 S272 L273 R274 W277 F285 | F190-L270 HydrophobicContact CE1-CD2 3.88Å; F190-L270 HydrophobicContact CE1-CG 4.22Å; F190-L270 HydrophobicContact CZ-CD2 3.78Å; A237-L270 HydrophobicContact CB-CD2 4.37Å; L244-L270 HydrophobicContact CD2-CD1 4.13Å; M245-L270 HydrophobicContact CE-CD1 3.82Å; L248-L270 HydrophobicContact CD1-CD1 3.95Å; V266-L270 HydrophobicContact CG1-CD1 3.84Å; V266-L270 HydrophobicContact CG1-CG 4.25Å; V266-L270 WeakPolarHBondContact O-CB 3.33Å; V266-L270 VanDerWaalsContact O-CG 3.32Å; V266-L270 WeakPolarHBondContact O-CG 3.38Å; V266-L270 PolarHBondContact O-N 2.99Å; L270-S272 VanDerWaalsContact C-N 3.29Å; L270-S272 PolarHBondContact O-N 3.32Å; L270-L273 PolarHBondContact O-N 2.98Å; L270-R274 PolarHBondContact O-N 3.37Å; L270-W277 HydrophobicContact CB-CE3 4.19Å; L270-W277 HydrophobicContact CD2-CE3 3.93Å; L270-W277 HydrophobicContact CD2-CZ3 3.82Å; L270-F285 HydrophobicContact CB-CE1 4.21Å; L270-F285 HydrophobicContact CB-CZ 4.21Å |
| 271 | Y | 94.3 | Very high | 93 | Very high | 77 Ų | 77 | 49 Ų | 49 | 30% | 0.302 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.1 | -35.2 | 175 | -171.9 | -99 | 0 | 0 | 0 | 113 | V267 K268 G269 L273 R274 P275 A278 F285 I289 I292 | V267-Y271 PolarHBondContact O-N 3.08Å; V267-Y271 VanDerWaalsContact O-N 3.11Å; K268-Y271 PolarHBondContact O-N 3.02Å; G269-Y271 PolarHBondContact O-N 3.05Å; Y271-L273 VanDerWaalsContact C-N 3.33Å; Y271-R274 CarbonylContact O-C 3.56Å; Y271-P275 HydrophobicContact CD2-CB 4.17Å; Y271-P275 HydrophobicContact CE2-CB 3.76Å; Y271-P275 WeakPolarHBondContact O-CD 3.46Å; Y271-P275 WeakPolarHBondContact O-CG 3.35Å; Y271-A278 HydrophobicContact CD2-CB 4.06Å; Y271-A278 HydrophobicContact CE2-CB 4.23Å; Y271-F285 HydrophobicContact CD2-CD1 4.33Å; Y271-I289 VanDerWaalsContact CB-CD1 3.41Å; Y271-I289 HydrophobicContact CD1-CD1 3.87Å; Y271-I289 HydrophobicContact CD2-CD1 4.04Å; Y271-I289 HydrophobicContact CG-CD1 3.5Å; Y271-I289 VanDerWaalsContact CG-CD1 3.5Å; Y271-I292 HydrophobicContact CE2-CG2 3.99Å |
| 272 | S | 93.9 | Very high | 92.8 | Very high | 78 Ų | 78 | 48 Ų | 48 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -75.4 | -19.8 | 177.5 | -55.3 | 0 | 0 | 0 | 0 | 113.5 | M229 K268 G269 L270 | M229-S272 VanDerWaalsContact CE-O 3.25Å; M229-S272 WeakPolarHBondContact CE-O 3.44Å; K268-S272 WeakPolarHBondContact O-CB 3.41Å; K268-S272 PolarHBondContact O-N 2.93Å; K268-S272 PolarHBondContact O-OG 2.9Å; G269-S272 CarbonylContact O-C 3.52Å; G269-S272 PolarHBondContact O-N 3.16Å; G269-S272 VanDerWaalsContact O-N 3.12Å; L270-S272 VanDerWaalsContact C-N 3.29Å; L270-S272 PolarHBondContact O-N 3.32Å |
| 273 | L | 94.6 | Very high | 92.4 | Very high | 20 Ų | 20 | 50.4 Ų | 50.4 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -83.9 | -52.4 | 173.8 | -74.2 | 164.9 | 0 | 0 | 0 | 110.7 | L194 M229 F232 A233 A237 G269 L270 Y271 W277 | L194-L273 HydrophobicContact CD1-CD1 3.88Å; M229-L273 HydrophobicContact CE-CD2 3.74Å; M229-L273 HydrophobicContact CE-CG 4.11Å; M229-L273 VanDerWaalsContact O-CD2 3.26Å; M229-L273 WeakPolarHBondContact O-CD2 3.32Å; M229-L273 HydrophobicContact SD-CD2 4.19Å; F232-L273 HydrophobicContact CB-CD2 4.22Å; F232-L273 HydrophobicContact CD1-CD1 3.66Å; F232-L273 HydrophobicContact CD1-CD2 3.98Å; F232-L273 HydrophobicContact CE1-CD1 3.94Å; F232-L273 HydrophobicContact CG-CD2 4.47Å; A233-L273 HydrophobicContact CB-CB 4.2Å; A233-L273 HydrophobicContact CB-CD2 4.17Å; A237-L273 HydrophobicContact CB-CD1 4.18Å; G269-L273 WeakPolarHBondContact O-CG 3.27Å; G269-L273 PolarHBondContact O-N 3.21Å; L270-L273 PolarHBondContact O-N 2.98Å; Y271-L273 VanDerWaalsContact C-N 3.33Å; L273-W277 HydrophobicContact CB-CH2 4.16Å; L273-W277 HydrophobicContact CB-CZ3 3.64Å; L273-W277 HydrophobicContact CD1-CZ3 4.25Å |
| 274 | R | 93.7 | Very high | 92.3 | Very high | 69 Ų | 69 | 50.3 Ų | 50.3 | 26% | 0.26 | 28% | 0.277 | S | S | . | . | trans | -146.6 | 113.9 | 169.8 | -60.4 | -166.6 | -160.8 | 155.8 | 5.9 | 110.8 | A233 D234 E238 L270 Y271 E276 W277 | A233-R274 HydrophobicContact CB-CG 4.35Å; D234-R274 IonicContact OD1-CZ 3Å; D234-R274 IonicContact OD1-NE 2.99Å; D234-R274 IonicContact OD1-NH2 2.73Å; D234-R274 PolarHBondContact OD1-NH2 2.98Å; E238-R274 IonicContact OE2-CZ 3.89Å; E238-R274 VanDerWaalsContact OE2-CZ 3.23Å; E238-R274 IonicContact OE2-NH1 3.99Å; E238-R274 PolarHBondContact OE2-NH1 2.99Å; E238-R274 IonicContact OE2-NH2 2.71Å; E238-R274 PolarHBondContact OE2-NH2 3.47Å; L270-R274 PolarHBondContact O-N 3.37Å; Y271-R274 CarbonylContact O-C 3.56Å; R274-E276 PolarHBondContact O-N 3.11Å; R274-W277 HydrophobicContact CB-CD2 3.83Å; R274-W277 HydrophobicContact CB-CE3 3.99Å; R274-W277 HydrophobicContact CB-CG 4.34Å; R274-W277 HydrophobicContact CB-CH2 4.28Å; R274-W277 HydrophobicContact CB-CZ2 4.15Å; R274-W277 HydrophobicContact CB-CZ3 4.22Å; R274-W277 HydrophobicContact CG-CD2 4.49Å; R274-W277 HydrophobicContact CG-CH2 4.02Å; R274-W277 HydrophobicContact CG-CZ2 3.89Å; R274-W277 HydrophobicContact CG-CZ3 4.39Å; R274-W277 PolarHBondContact O-N 3.31Å | ||
| 275 | P | 91.6 | Very high | 92.2 | Very high | 73 Ų | 73 | 49.4 Ų | 49.4 | 47% | 0.474 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -58.2 | -29 | 177.2 | -28.7 | 36.4 | 0 | 0 | 0 | 114.4 | Y271 W277 A278 | Y271-P275 HydrophobicContact CD2-CB 4.17Å; Y271-P275 HydrophobicContact CE2-CB 3.76Å; Y271-P275 WeakPolarHBondContact O-CD 3.46Å; Y271-P275 WeakPolarHBondContact O-CG 3.35Å; P275-W277 PolarHBondContact O-N 3.5Å; P275-A278 VanDerWaalsContact O-CB 3.28Å; P275-A278 WeakPolarHBondContact O-CB 3.31Å; P275-A278 PolarHBondContact O-N 3.33Å |
| 276 | E | 91 | Very high | 91.8 | Very high | 137 Ų | 137 | 49.4 Ų | 49.4 | 64% | 0.64 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -58.1 | -31.9 | -178.6 | -62.1 | -178.2 | 164.9 | 0 | 0 | 113.3 | R274 A278 Q279 | R274-E276 PolarHBondContact O-N 3.11Å; E276-A278 PolarHBondContact O-N 3.03Å; E276-A278 VanDerWaalsContact O-N 3.1Å; E276-Q279 VanDerWaalsContact O-CB 3.31Å; E276-Q279 WeakPolarHBondContact O-CB 3.34Å; E276-Q279 WeakPolarHBondContact O-CG 3.14Å; E276-Q279 PolarHBondContact O-N 3.33Å |
| 277 | W | 91.8 | Very high | 91.4 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 5% | 0.049 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -63.2 | -17.1 | 177.7 | -62.6 | -30.6 | 0 | 0 | 0 | 113.5 | A233 A237 E238 L241 L270 L273 R274 P275 Q279 L280 | A233-W277 HydrophobicContact CB-CH2 3.91Å; A237-W277 HydrophobicContact CB-CH2 3.5Å; A237-W277 HydrophobicContact CB-CZ2 4.41Å; A237-W277 HydrophobicContact CB-CZ3 3.88Å; E238-W277 WeakPolarHBondContact OE2-CZ2 3.3Å; E238-W277 PolarHBondContact OE2-NE1 2.96Å; L241-W277 HydrophobicContact CD1-CD2 4.5Å; L241-W277 HydrophobicContact CD1-CG 4.47Å; L241-W277 VanDerWaalsContact CD2-CD1 3.44Å; L241-W277 HydrophobicContact CD2-CD2 3.99Å; L241-W277 HydrophobicContact CD2-CG 3.81Å; L270-W277 HydrophobicContact CB-CE3 4.19Å; L270-W277 HydrophobicContact CD2-CE3 3.93Å; L270-W277 HydrophobicContact CD2-CZ3 3.82Å; L273-W277 HydrophobicContact CB-CH2 4.16Å; L273-W277 HydrophobicContact CB-CZ3 3.64Å; L273-W277 HydrophobicContact CD1-CZ3 4.25Å; R274-W277 HydrophobicContact CB-CD2 3.83Å; R274-W277 HydrophobicContact CB-CE3 3.99Å; R274-W277 HydrophobicContact CB-CG 4.34Å; R274-W277 HydrophobicContact CB-CH2 4.28Å; R274-W277 HydrophobicContact CB-CZ2 4.15Å; R274-W277 HydrophobicContact CB-CZ3 4.22Å; R274-W277 HydrophobicContact CG-CD2 4.49Å; R274-W277 HydrophobicContact CG-CH2 4.02Å; R274-W277 HydrophobicContact CG-CZ2 3.89Å; R274-W277 HydrophobicContact CG-CZ3 4.39Å; R274-W277 PolarHBondContact O-N 3.31Å; P275-W277 PolarHBondContact O-N 3.5Å; W277-Q279 PolarHBondContact O-N 3.25Å; W277-L280 HydrophobicContact CB-CD1 4.38Å; W277-L280 WeakPolarHBondContact O-CB 3.42Å; W277-L280 PolarHBondContact O-N 3.24Å; W277-L280 VanDerWaalsContact O-N 3.1Å |
| 278 | A | 89.6 | Confident | 91.1 | Very high | 12 Ų | 12 | 54.4 Ų | 54.4 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -60.8 | -26.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y271 P275 E276 L280 A281 P282 F285 | Y271-A278 HydrophobicContact CD2-CB 4.06Å; Y271-A278 HydrophobicContact CE2-CB 4.23Å; P275-A278 VanDerWaalsContact O-CB 3.28Å; P275-A278 WeakPolarHBondContact O-CB 3.31Å; P275-A278 PolarHBondContact O-N 3.33Å; E276-A278 PolarHBondContact O-N 3.03Å; E276-A278 VanDerWaalsContact O-N 3.1Å; A278-L280 PolarHBondContact O-N 2.83Å; A278-A281 CarbonylContact O-C 3.54Å; A278-A281 PolarHBondContact O-N 3.35Å; A278-P282 WeakPolarHBondContact O-CA 3.44Å; A278-P282 WeakPolarHBondContact O-CD 3.26Å; A278-P282 VanDerWaalsContact O-N 3.14Å; A278-F285 HydrophobicContact CB-CB 4.17Å; A278-F285 HydrophobicContact CB-CD1 3.9Å; A278-F285 HydrophobicContact CB-CD2 4.33Å; A278-F285 HydrophobicContact CB-CE1 4.34Å; A278-F285 HydrophobicContact CB-CG 3.9Å |
| 279 | Q | 88.4 | Confident | 90.7 | Very high | 153 Ų | 153 | 50.6 Ų | 50.6 | 72% | 0.715 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -64.4 | -23.1 | 176.1 | -60.1 | -178.5 | 28.6 | 0 | 0 | 112.7 | E276 W277 | E276-Q279 VanDerWaalsContact O-CB 3.31Å; E276-Q279 WeakPolarHBondContact O-CB 3.34Å; E276-Q279 WeakPolarHBondContact O-CG 3.14Å; E276-Q279 PolarHBondContact O-N 3.33Å; W277-Q279 PolarHBondContact O-N 3.25Å |
| 280 | L | 88.3 | Confident | 90.1 | Very high | 103 Ų | 103 | 55.6 Ų | 55.6 | 54% | 0.539 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -73.6 | -26.6 | 178.5 | -57.3 | 175.4 | 0 | 0 | 0 | 112.9 | L241 M245 W277 A278 | L241-L280 HydrophobicContact CD1-CD1 4.34Å; L241-L280 HydrophobicContact CD2-CD1 3.72Å; L241-L280 HydrophobicContact CG-CD1 4.08Å; M245-L280 HydrophobicContact CG-CB 4.39Å; W277-L280 HydrophobicContact CB-CD1 4.38Å; W277-L280 WeakPolarHBondContact O-CB 3.42Å; W277-L280 PolarHBondContact O-N 3.24Å; W277-L280 VanDerWaalsContact O-N 3.1Å; A278-L280 PolarHBondContact O-N 2.83Å |
| 281 | A | 88.9 | Confident | 89 | Confident | 10 Ų | 10 | 64.8 Ų | 64.8 | 8% | 0.083 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -151.1 | 63.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M245 I249 A278 A283 L284 F285 | M245-A281 HydrophobicContact CG-CB 4.28Å; M245-A281 HydrophobicContact SD-CB 3.79Å; I249-A281 HydrophobicContact CD1-CB 3.91Å; I249-A281 HydrophobicContact CG1-CB 4.09Å; A278-A281 CarbonylContact O-C 3.54Å; A278-A281 PolarHBondContact O-N 3.35Å; A281-A283 VanDerWaalsContact C-N 3.3Å; A281-A283 PolarHBondContact O-N 2.85Å; A281-A283 VanDerWaalsContact O-N 3.15Å; A281-L284 HydrophobicContact CB-CB 3.91Å; A281-L284 HydrophobicContact CB-CD2 4.16Å; A281-L284 WeakPolarHBondContact O-CB 3.16Å; A281-L284 PolarHBondContact O-N 3.31Å; A281-F285 HydrophobicContact CB-CD2 4.27Å; A281-F285 HydrophobicContact CB-CE2 4.39Å; A281-F285 WeakPolarHBondContact O-CD2 3.41Å; A281-F285 PolarHBondContact O-N 2.72Å; A281-F285 VanDerWaalsContact O-N 3.16Å |
| 282 | P | 87.9 | Confident | 88 | Confident | 66 Ų | 66 | 62.7 Ų | 62.7 | 43% | 0.429 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57 | -40.5 | -168.8 | -26.6 | 35.5 | 0 | 0 | 0 | 113.7 | A278 L284 F285 S286 | A278-P282 WeakPolarHBondContact O-CA 3.44Å; A278-P282 WeakPolarHBondContact O-CD 3.26Å; A278-P282 VanDerWaalsContact O-N 3.14Å; P282-L284 PolarHBondContact O-N 2.94Å; P282-F285 PolarHBondContact O-N 3.18Å; P282-S286 VanDerWaalsContact O-CB 3.25Å; P282-S286 WeakPolarHBondContact O-CB 3.37Å; P282-S286 PolarHBondContact O-N 3.49Å; P282-S286 PolarHBondContact O-OG 3.07Å |
| 283 | A | 86.8 | Confident | 86.6 | Confident | 72 Ų | 72 | 64.5 Ų | 64.5 | 60% | 0.595 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.6 | -47.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A281 S286 S287 | A281-A283 VanDerWaalsContact C-N 3.3Å; A281-A283 PolarHBondContact O-N 2.85Å; A281-A283 VanDerWaalsContact O-N 3.15Å; A283-S286 PolarHBondContact O-N 3.42Å; A283-S286 PolarHBondContact O-OG 3.18Å; A283-S287 PolarHBondContact O-N 2.95Å |
| 284 | L | 90.2 | Very high | 84.9 | Confident | 6 Ų | 6 | 68.2 Ų | 68.2 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.1 | -55.6 | 177.8 | 173.3 | 70.7 | 0 | 0 | 0 | 110.7 | M245 L248 I249 H252 M263 V267 A281 P282 S286 S287 F288 | M245-L284 HydrophobicContact SD-CD2 3.82Å; L248-L284 HydrophobicContact CB-CD2 3.68Å; L248-L284 HydrophobicContact CD1-CD2 4.46Å; I249-L284 HydrophobicContact CG1-CD2 4.3Å; H252-L284 HydrophobicContact CB-CD1 3.6Å; M263-L284 HydrophobicContact SD-CD1 4.31Å; V267-L284 HydrophobicContact CG2-CD1 4.46Å; V267-L284 HydrophobicContact CG2-CD2 4.28Å; V267-L284 HydrophobicContact CG2-CG 4.19Å; A281-L284 HydrophobicContact CB-CB 3.91Å; A281-L284 HydrophobicContact CB-CD2 4.16Å; A281-L284 WeakPolarHBondContact O-CB 3.16Å; A281-L284 PolarHBondContact O-N 3.31Å; P282-L284 PolarHBondContact O-N 2.94Å; L284-S286 VanDerWaalsContact C-N 3.26Å; L284-S286 PolarHBondContact O-N 3.3Å; L284-S287 PolarHBondContact O-N 3.49Å; L284-S287 PolarHBondContact O-OG 2.89Å; L284-F288 HydrophobicContact CD1-CE2 4.08Å; L284-F288 WeakPolarHBondContact O-CD2 3.05Å |
| 285 | F | 91.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.9 | -37.8 | -178 | -77.8 | -106.1 | 0 | 0 | 0 | 111.4 | M245 V267 L270 Y271 A278 A281 P282 S287 F288 I289 I292 | M245-F285 HydrophobicContact CE-CE2 3.72Å; M245-F285 HydrophobicContact CE-CZ 3.89Å; M245-F285 HydrophobicContact SD-CE2 3.97Å; V267-F285 HydrophobicContact CG1-CB 4.21Å; V267-F285 HydrophobicContact CG1-CD1 3.63Å; V267-F285 HydrophobicContact CG1-CE1 4.13Å; V267-F285 HydrophobicContact CG1-CG 3.86Å; V267-F285 WeakPolarHBondContact O-CE1 3.29Å; L270-F285 HydrophobicContact CB-CE1 4.21Å; L270-F285 HydrophobicContact CB-CZ 4.21Å; Y271-F285 HydrophobicContact CD2-CD1 4.33Å; A278-F285 HydrophobicContact CB-CB 4.17Å; A278-F285 HydrophobicContact CB-CD1 3.9Å; A278-F285 HydrophobicContact CB-CD2 4.33Å; A278-F285 HydrophobicContact CB-CE1 4.34Å; A278-F285 HydrophobicContact CB-CG 3.9Å; A281-F285 HydrophobicContact CB-CD2 4.27Å; A281-F285 HydrophobicContact CB-CE2 4.39Å; A281-F285 WeakPolarHBondContact O-CD2 3.41Å; A281-F285 PolarHBondContact O-N 2.72Å; A281-F285 VanDerWaalsContact O-N 3.16Å; P282-F285 PolarHBondContact O-N 3.18Å; F285-S287 PolarHBondContact O-N 3.45Å; F285-F288 PolarHBondContact O-N 3.1Å; F285-I289 HydrophobicContact CD1-CD1 4.16Å; F285-I289 PolarHBondContact O-N 3.24Å; F285-I292 HydrophobicContact CB-CD1 3.27Å |
| 286 | S | 89.5 | Confident | 82.2 | Confident | 40 Ų | 40 | 72.2 Ų | 72.2 | 28% | 0.28 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.6 | -22.3 | -176.9 | 74.8 | 0 | 0 | 0 | 0 | 114.1 | P282 A283 L284 F288 I292 H293 | P282-S286 VanDerWaalsContact O-CB 3.25Å; P282-S286 WeakPolarHBondContact O-CB 3.37Å; P282-S286 PolarHBondContact O-N 3.49Å; P282-S286 PolarHBondContact O-OG 3.07Å; A283-S286 PolarHBondContact O-N 3.42Å; A283-S286 PolarHBondContact O-OG 3.18Å; L284-S286 VanDerWaalsContact C-N 3.26Å; L284-S286 PolarHBondContact O-N 3.3Å; S286-F288 VanDerWaalsContact C-N 3.28Å; S286-F288 PolarHBondContact O-N 3.21Å; S286-I292 VanDerWaalsContact N-CD1 3.29Å; S286-H293 WeakPolarHBondContact CB-CE1 2.94Å; S286-H293 PolarHBondContact OG-CE1 3Å |
| 287 | S | 87.1 | Confident | 81.4 | Confident | 61 Ų | 61 | 69.1 Ų | 69.1 | 43% | 0.427 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -16.5 | 174.7 | 72.1 | 0 | 0 | 0 | 0 | 113.6 | H252 A283 L284 F285 | H252-S287 PolarHBondContact CE1-OG 3.41Å; A283-S287 PolarHBondContact O-N 2.95Å; L284-S287 PolarHBondContact O-N 3.49Å; L284-S287 PolarHBondContact O-OG 2.89Å; F285-S287 PolarHBondContact O-N 3.45Å |
| 288 | F | 88.4 | Confident | 80.8 | Confident | 44 Ų | 44 | 76.6 Ų | 76.6 | 19% | 0.193 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | -18.9 | -178.3 | -63.6 | -69.9 | 0 | 0 | 0 | 114.2 | H252 M263 A264 V267 K268 L284 F285 S286 | H252-F288 AromaticContact ND1-CE2 3.84Å; M263-F288 HydrophobicContact CB-CE1 4.44Å; M263-F288 HydrophobicContact CB-CZ 4Å; M263-F288 HydrophobicContact CG-CD2 4.4Å; M263-F288 HydrophobicContact CG-CE1 4.13Å; M263-F288 HydrophobicContact CG-CE2 3.44Å; M263-F288 VanDerWaalsContact CG-CE2 3.44Å; M263-F288 HydrophobicContact CG-CZ 3.28Å; M263-F288 HydrophobicContact SD-CE2 4.49Å; A264-F288 HydrophobicContact CB-CD1 3.57Å; A264-F288 HydrophobicContact CB-CE1 4.02Å; A264-F288 HydrophobicContact CB-CG 4.35Å; V267-F288 HydrophobicContact CB-CB 4.36Å; V267-F288 HydrophobicContact CB-CD2 4.13Å; V267-F288 HydrophobicContact CB-CG 4.45Å; V267-F288 HydrophobicContact CG1-CB 3.94Å; V267-F288 HydrophobicContact CG1-CD2 4.04Å; V267-F288 HydrophobicContact CG1-CG 4.37Å; V267-F288 HydrophobicContact CG2-CD2 3.98Å; V267-F288 HydrophobicContact CG2-CE2 4.41Å; K268-F288 WeakPolarHBondContact CE-O 3.4Å; L284-F288 HydrophobicContact CD1-CE2 4.08Å; L284-F288 WeakPolarHBondContact O-CD2 3.05Å; F285-F288 PolarHBondContact O-N 3.1Å; S286-F288 VanDerWaalsContact C-N 3.28Å; S286-F288 PolarHBondContact O-N 3.21Å |
| 289 | I | 87.1 | Confident | 80.4 | Confident | 23 Ų | 23 | 80.9 Ų | 80.9 | 12% | 0.118 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -129.3 | 114.1 | -176.8 | -43.2 | -177.1 | 0 | 0 | 0 | 109.5 | V267 K268 Y271 F285 I292 | V267-I289 HydrophobicContact CG1-CD1 4.31Å; V267-I289 HydrophobicContact CG1-CG1 4.41Å; K268-I289 HydrophobicContact CG-CD1 4.31Å; K268-I289 HydrophobicContact CG-CG1 4.03Å; Y271-I289 VanDerWaalsContact CB-CD1 3.41Å; Y271-I289 HydrophobicContact CD1-CD1 3.87Å; Y271-I289 HydrophobicContact CD2-CD1 4.04Å; Y271-I289 HydrophobicContact CG-CD1 3.5Å; Y271-I289 VanDerWaalsContact CG-CD1 3.5Å; F285-I289 HydrophobicContact CD1-CD1 4.16Å; F285-I289 PolarHBondContact O-N 3.24Å; I289-I292 HydrophobicContact CB-CG2 3.63Å; I289-I292 HydrophobicContact CG2-CG2 3.39Å |
| 290 | P | 81.8 | Confident | 80 | Confident | 110 Ų | 110 | 77.5 Ų | 77.5 | 71% | 0.714 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 153.8 | 174.7 | -23.4 | 34.3 | 0 | 0 | 0 | 112.7 | I292 | P290-I292 PolarHBondContact O-N 3.49Š|
| 291 | Q | 73.4 | Confident | 79.7 | Confident | 194 Ų | 194 | 77.5 Ų | 77.5 | 91% | 0.907 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 9.8 | 167.5 | -58.8 | 179.6 | -11.9 | 0 | 0 | 117.4 | H293 | Q291-H293 VanDerWaalsContact C-N 3.27Å; Q291-H293 PolarHBondContact O-N 2.98Å |
| 292 | I | 72.8 | Confident | 79.4 | Confident | 32 Ų | 32 | 84.2 Ų | 84.2 | 16% | 0.164 | 48% | 0.478 | C | S | . | . | trans | -73.5 | -12.3 | 178.7 | 68.2 | 167 | 0 | 0 | 0 | 115.2 | Y271 F285 S286 I289 P290 | Y271-I292 HydrophobicContact CE2-CG2 3.99Å; F285-I292 HydrophobicContact CB-CD1 3.27Å; S286-I292 VanDerWaalsContact N-CD1 3.29Å; I289-I292 HydrophobicContact CB-CG2 3.63Å; I289-I292 HydrophobicContact CG2-CG2 3.39Å; P290-I292 PolarHBondContact O-N 3.49Å | ||
| 293 | H | 64.7 | Low | 79.2 | Confident | 117 Ų | 117 | 84.9 Ų | 84.9 | 54% | 0.542 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -66.6 | 139.2 | 174 | -76.8 | 107 | 0 | 0 | 0 | 108.7 | S286 Q291 | S286-H293 WeakPolarHBondContact CB-CE1 2.94Å; S286-H293 PolarHBondContact OG-CE1 3Å; Q291-H293 VanDerWaalsContact C-N 3.27Å; Q291-H293 PolarHBondContact O-N 2.98Å |
| 294 | P | 58.9 | Low | 79 | Confident | 98 Ų | 98 | 85.4 Ų | 85.4 | 64% | 0.636 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -50.7 | 139.6 | 171.9 | -26.4 | 34.6 | 0 | 0 | 0 | 110.7 | T296 | P294-T296 PolarHBondContact O-N 3.11Š|
| 295 | P | 61.4 | Low | 78.8 | Confident | 119 Ų | 119 | 87.7 Ų | 87.7 | 77% | 0.773 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 132.4 | 174.5 | -27 | 34.9 | 0 | 0 | 0 | 110.7 | V297 | P295-V297 WeakPolarHBondContact O-CG2 3.17Å; P295-V297 PolarHBondContact O-N 3.3Å |
| 296 | T | 65.8 | Low | 78.7 | Confident | 106 Ų | 106 | 92.7 Ų | 92.7 | 65% | 0.65 | 51% | 0.511 | S | S | * | . | trans | -54.7 | 105.2 | -173.8 | -46.8 | 0 | 0 | 0 | 0 | 110.9 | P294 Y304 | P294-T296 PolarHBondContact O-N 3.11Å; T296-Y304 HydrophobicContact CG2-CD2 3.83Å; T296-Y304 HydrophobicContact CG2-CE2 3.46Å; T296-Y304 VanDerWaalsContact CG2-CE2 3.46Å | ||
| 297 | V | 75.6 | Confident | 78.5 | Confident | 72 Ų | 72 | 97 Ų | 97 | 44% | 0.436 | 52% | 0.521 | S | S | . | . | trans | -79.5 | 131.3 | -178.3 | -164 | 0 | 0 | 0 | 0 | 109.4 | P295 S299 Q300 | P295-V297 WeakPolarHBondContact O-CG2 3.17Å; P295-V297 PolarHBondContact O-N 3.3Å; V297-S299 WeakPolarHBondContact CG1-OG 3.24Å; V297-S299 PolarHBondContact O-N 3.4Å; V297-Q300 WeakPolarHBondContact O-CB 3.42Å; V297-Q300 PolarHBondContact O-N 2.93Å | ||
| 298 | E | 77.6 | Confident | 78.5 | Confident | 171 Ų | 171 | 97.8 Ų | 97.8 | 80% | 0.799 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -56.8 | -34.2 | -178.6 | -172.6 | 176.6 | -167.3 | 0 | 0 | 112.8 | Q300 L301 | E298-Q300 PolarHBondContact O-N 2.88Å; E298-Q300 VanDerWaalsContact O-N 3.12Å; E298-L301 WeakPolarHBondContact O-CB 3.41Å; E298-L301 PolarHBondContact O-N 2.94Å |
| 299 | S | 81.7 | Confident | 78.5 | Confident | 102 Ų | 102 | 104.3 Ų | 104.3 | 71% | 0.713 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -62.6 | -16.9 | 174.7 | 58.8 | 0 | 0 | 0 | 0 | 114.5 | V297 | V297-S299 WeakPolarHBondContact CG1-OG 3.24Å; V297-S299 PolarHBondContact O-N 3.4Å |
| 300 | Q | 79.6 | Confident | 78.7 | Confident | 81 Ų | 81 | 109.9 Ų | 109.9 | 38% | 0.379 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -100.3 | 3 | 175.6 | -63.1 | -178.5 | -1.9 | 0 | 0 | 112.7 | V297 E298 H302 D303 Y304 | V297-Q300 WeakPolarHBondContact O-CB 3.42Å; V297-Q300 PolarHBondContact O-N 2.93Å; E298-Q300 PolarHBondContact O-N 2.88Å; E298-Q300 VanDerWaalsContact O-N 3.12Å; Q300-H302 PolarHBondContact O-N 3.13Å; Q300-D303 WeakPolarHBondContact O-CB 3.24Å; Q300-D303 PolarHBondContact O-N 2.7Å; Q300-Y304 HydrophobicContact CB-CD2 4.08Å; Q300-Y304 HydrophobicContact CB-CE2 3.62Å; Q300-Y304 WeakPolarHBondContact O-CD2 3.41Å; Q300-Y304 PolarHBondContact O-N 3.14Å; Q300-Y304 VanDerWaalsContact O-N 3.11Å; Q300-Y304 PolarHBondContact OE1-OH 3.48Å |
| 301 | L | 82.3 | Confident | 79 | Confident | 104 Ų | 104 | 109 Ų | 109 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -57.3 | -36.3 | -176.3 | -173.2 | 63.5 | 0 | 0 | 0 | 112.9 | E298 Y304 A305 | E298-L301 WeakPolarHBondContact O-CB 3.41Å; E298-L301 PolarHBondContact O-N 2.94Å; L301-Y304 PolarHBondContact O-N 3.37Å; L301-A305 PolarHBondContact O-N 2.96Å |
| 302 | H | 83.4 | Confident | 79.7 | Confident | 151 Ų | 151 | 102.5 Ų | 102.5 | 70% | 0.699 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.8 | -46 | 174.2 | -70.9 | -67.1 | 0 | 0 | 0 | 112.5 | Q300 Y304 A305 D306 | Q300-H302 PolarHBondContact O-N 3.13Å; H302-Y304 VanDerWaalsContact C-N 3.27Å; H302-Y304 PolarHBondContact O-N 3.39Å; H302-A305 PolarHBondContact O-N 3.49Å; H302-A305 VanDerWaalsContact O-N 3.16Å; H302-D306 PolarHBondContact O-N 3.11Å |
| 303 | D | 83.9 | Confident | 80.4 | Confident | 80 Ų | 80 | 106.5 Ų | 106.5 | 43% | 0.428 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.1 | -40.2 | 175.2 | -75.7 | 14.4 | 0 | 0 | 0 | 112 | Q300 R307 | Q300-D303 WeakPolarHBondContact O-CB 3.24Å; Q300-D303 PolarHBondContact O-N 2.7Å; D303-R307 VanDerWaalsContact CB-NH1 3.35Å; D303-R307 WeakPolarHBondContact O-CB 3.2Å; D303-R307 WeakPolarHBondContact O-CD 3.49Å; D303-R307 WeakPolarHBondContact O-CG 3.15Å; D303-R307 PolarHBondContact O-N 2.77Å; D303-R307 IonicContact OD2-CZ 3.78Å; D303-R307 IonicContact OD2-NH1 3.91Å; D303-R307 IonicContact OD2-NH2 2.94Å; D303-R307 PolarHBondContact OD2-NH2 2.88Å |
| 304 | Y | 82.3 | Confident | 81.7 | Confident | 83 Ų | 83 | 105.1 Ų | 105.1 | 33% | 0.325 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.6 | -40.6 | 177.4 | -66.7 | -65.8 | 0 | 0 | 0 | 111.7 | T296 Q300 L301 H302 R307 D308 | T296-Y304 HydrophobicContact CG2-CD2 3.83Å; T296-Y304 HydrophobicContact CG2-CE2 3.46Å; T296-Y304 VanDerWaalsContact CG2-CE2 3.46Å; Q300-Y304 HydrophobicContact CB-CD2 4.08Å; Q300-Y304 HydrophobicContact CB-CE2 3.62Å; Q300-Y304 WeakPolarHBondContact O-CD2 3.41Å; Q300-Y304 PolarHBondContact O-N 3.14Å; Q300-Y304 VanDerWaalsContact O-N 3.11Å; Q300-Y304 PolarHBondContact OE1-OH 3.48Å; L301-Y304 PolarHBondContact O-N 3.37Å; H302-Y304 VanDerWaalsContact C-N 3.27Å; H302-Y304 PolarHBondContact O-N 3.39Å; Y304-R307 PolarHBondContact O-N 3.24Å; Y304-D308 WeakPolarHBondContact O-CB 3.31Å; Y304-D308 PolarHBondContact O-N 2.97Å |
| 305 | A | 85.6 | Confident | 83 | Confident | 54 Ų | 54 | 103.9 Ų | 103.9 | 45% | 0.446 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L301 H302 D308 R309 | L301-A305 PolarHBondContact O-N 2.96Å; H302-A305 PolarHBondContact O-N 3.49Å; H302-A305 VanDerWaalsContact O-N 3.16Å; A305-D308 PolarHBondContact O-N 3.27Å; A305-R309 VanDerWaalsContact O-CB 3.29Å; A305-R309 WeakPolarHBondContact O-CB 3.47Å; A305-R309 PolarHBondContact O-N 2.73Å |
| 306 | D | 89 | Confident | 84.3 | Confident | 105 Ų | 105 | 100.8 Ų | 100.8 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.2 | -34.9 | 176.4 | -81.4 | -26 | 0 | 0 | 0 | 112.6 | H302 K310 | H302-D306 PolarHBondContact O-N 3.11Å; D306-K310 VanDerWaalsContact O-CB 3.31Å; D306-K310 WeakPolarHBondContact O-CB 3.29Å; D306-K310 PolarHBondContact O-N 3.29Å |
| 307 | R | 85.1 | Confident | 85.3 | Confident | 129 Ų | 129 | 103.3 Ų | 103.3 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 170.6 | -73.3 | 166 | -168.3 | 131.4 | 12.7 | 111.4 | D303 Y304 K310 L311 | D303-R307 VanDerWaalsContact CB-NH1 3.35Å; D303-R307 WeakPolarHBondContact O-CB 3.2Å; D303-R307 WeakPolarHBondContact O-CD 3.49Å; D303-R307 WeakPolarHBondContact O-CG 3.15Å; D303-R307 PolarHBondContact O-N 2.77Å; D303-R307 IonicContact OD2-CZ 3.78Å; D303-R307 IonicContact OD2-NH1 3.91Å; D303-R307 IonicContact OD2-NH2 2.94Å; D303-R307 PolarHBondContact OD2-NH2 2.88Å; Y304-R307 PolarHBondContact O-N 3.24Å; R307-K310 PolarHBondContact O-N 2.87Å; R307-L311 WeakPolarHBondContact O-CB 3.46Å; R307-L311 PolarHBondContact O-N 2.97Å |
| 308 | D | 87.3 | Confident | 86 | Confident | 79 Ų | 79 | 106 Ų | 106 | 42% | 0.422 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.2 | -47.5 | 175.8 | 173 | 48.8 | 0 | 0 | 0 | 111.7 | Y304 A305 K310 L311 Q312 | Y304-D308 WeakPolarHBondContact O-CB 3.31Å; Y304-D308 PolarHBondContact O-N 2.97Å; A305-D308 PolarHBondContact O-N 3.27Å; D308-K310 VanDerWaalsContact C-N 3.29Å; D308-K310 PolarHBondContact O-N 3.49Å; D308-L311 PolarHBondContact O-N 3.5Å; D308-L311 VanDerWaalsContact O-N 3.14Å; D308-Q312 VanDerWaalsContact O-CG 3.26Å; D308-Q312 WeakPolarHBondContact O-CG 3.46Å; D308-Q312 PolarHBondContact O-N 3.05Å; D308-Q312 PolarHBondContact OD1-NE2 3.43Å; D308-Q312 PolarHBondContact OD2-NE2 3.32Å |
| 309 | R | 88.6 | Confident | 86.4 | Confident | 181 Ų | 181 | 100.8 Ų | 100.8 | 68% | 0.683 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.3 | -41 | 175.7 | -173.3 | 177.2 | -174 | 163.5 | 3.9 | 112.3 | A305 M313 | A305-R309 VanDerWaalsContact O-CB 3.29Å; A305-R309 WeakPolarHBondContact O-CB 3.47Å; A305-R309 PolarHBondContact O-N 2.73Å; R309-M313 WeakPolarHBondContact O-CB 3.5Å; R309-M313 PolarHBondContact O-N 3.45Å; R309-M313 VanDerWaalsContact O-N 3.11Å |
| 310 | K | 91.5 | Very high | 86.5 | Confident | 139 Ų | 139 | 102.8 Ų | 102.8 | 60% | 0.604 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.4 | -45.7 | 175.2 | -174.7 | -176.6 | 177.4 | -175.2 | 0 | 111.8 | D306 R307 D308 Q312 M313 E314 | D306-K310 VanDerWaalsContact O-CB 3.31Å; D306-K310 WeakPolarHBondContact O-CB 3.29Å; D306-K310 PolarHBondContact O-N 3.29Å; R307-K310 PolarHBondContact O-N 2.87Å; D308-K310 VanDerWaalsContact C-N 3.29Å; D308-K310 PolarHBondContact O-N 3.49Å; K310-Q312 PolarHBondContact O-N 2.62Å; K310-M313 PolarHBondContact O-N 3.5Å; K310-E314 PolarHBondContact O-N 3.11Å |
| 311 | L | 87.9 | Confident | 86.5 | Confident | 92 Ų | 92 | 103.4 Ų | 103.4 | 48% | 0.482 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 177.4 | 176.1 | 61.5 | 0 | 0 | 0 | 111.6 | R307 D308 M313 E314 L315 | R307-L311 WeakPolarHBondContact O-CB 3.46Å; R307-L311 PolarHBondContact O-N 2.97Å; D308-L311 PolarHBondContact O-N 3.5Å; D308-L311 VanDerWaalsContact O-N 3.14Å; L311-M313 VanDerWaalsContact C-N 3.34Å; L311-M313 PolarHBondContact O-N 3.23Å; L311-E314 PolarHBondContact O-N 2.91Å; L311-L315 HydrophobicContact CD1-CD1 4.19Å; L311-L315 HydrophobicContact CD1-CG 4.23Å; L311-L315 HydrophobicContact CG-CD1 4.05Å; L311-L315 HydrophobicContact CG-CG 4.5Å; L311-L315 WeakPolarHBondContact O-CB 3.26Å; L311-L315 WeakPolarHBondContact O-CG 3.38Å; L311-L315 PolarHBondContact O-N 3.18Å |
| 312 | Q | 87.9 | Confident | 85.9 | Confident | 57 Ų | 57 | 106.3 Ų | 106.3 | 27% | 0.266 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 177.3 | -68.5 | 169.1 | 17.2 | 0 | 0 | 112.6 | D308 K310 S316 R322 | D308-Q312 VanDerWaalsContact O-CG 3.26Å; D308-Q312 WeakPolarHBondContact O-CG 3.46Å; D308-Q312 PolarHBondContact O-N 3.05Å; D308-Q312 PolarHBondContact OD1-NE2 3.43Å; D308-Q312 PolarHBondContact OD2-NE2 3.32Å; K310-Q312 PolarHBondContact O-N 2.62Å; Q312-S316 WeakPolarHBondContact O-CB 3.43Å; Q312-S316 PolarHBondContact O-N 3.19Å; Q312-S316 PolarHBondContact O-OG 3.41Å; Q312-R322 VanDerWaalsContact NE2-NH2 3.18Å |
| 313 | M | 88.6 | Confident | 85.3 | Confident | 116 Ų | 116 | 101.4 Ų | 101.4 | 57% | 0.571 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.1 | -45.9 | 173.7 | -178.3 | 169.5 | 58.6 | 0 | 0 | 111 | R309 K310 L311 L315 S316 M317 | R309-M313 WeakPolarHBondContact O-CB 3.5Å; R309-M313 PolarHBondContact O-N 3.45Å; R309-M313 VanDerWaalsContact O-N 3.11Å; K310-M313 PolarHBondContact O-N 3.5Å; L311-M313 VanDerWaalsContact C-N 3.34Å; L311-M313 PolarHBondContact O-N 3.23Å; M313-L315 PolarHBondContact O-N 3.49Å; M313-S316 PolarHBondContact O-N 2.94Å; M313-S316 PolarHBondContact O-OG 3.32Å; M313-M317 WeakPolarHBondContact O-CG 3.47Å; M313-M317 PolarHBondContact O-N 3.35Å |
| 314 | E | 91.6 | Very high | 84.7 | Confident | 89 Ų | 89 | 103 Ų | 103 | 42% | 0.416 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 176.9 | -167.7 | -175.4 | 140.9 | 0 | 0 | 112.5 | K310 L311 M317 K318 | K310-E314 PolarHBondContact O-N 3.11Å; L311-E314 PolarHBondContact O-N 2.91Å; E314-M317 PolarHBondContact O-N 2.76Å; E314-K318 HydrophobicContact CG-CD 4.28Å; E314-K318 WeakPolarHBondContact O-CB 3.33Å; E314-K318 WeakPolarHBondContact O-CG 3.41Å; E314-K318 PolarHBondContact O-N 3.08Å; E314-K318 WeakPolarHBondContact OE1-CE 3.39Å; E314-K318 IonicContact OE1-NZ 2.62Å; E314-K318 PolarHBondContact OE1-NZ 3.08Å |
| 315 | L | 87.3 | Confident | 84 | Confident | 72 Ų | 72 | 103 Ų | 103 | 38% | 0.377 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 174.8 | -72.9 | 172.2 | 0 | 0 | 0 | 111.8 | L311 M313 M317 K318 G319 F320 | L311-L315 HydrophobicContact CD1-CD1 4.19Å; L311-L315 HydrophobicContact CD1-CG 4.23Å; L311-L315 HydrophobicContact CG-CD1 4.05Å; L311-L315 HydrophobicContact CG-CG 4.5Å; L311-L315 WeakPolarHBondContact O-CB 3.26Å; L311-L315 WeakPolarHBondContact O-CG 3.38Å; L311-L315 PolarHBondContact O-N 3.18Å; M313-L315 PolarHBondContact O-N 3.49Å; L315-M317 VanDerWaalsContact C-N 3.33Å; L315-M317 PolarHBondContact O-N 3.09Å; L315-K318 CarbonylContact O-C 3.5Å; L315-K318 PolarHBondContact O-N 3.05Å; L315-K318 VanDerWaalsContact O-N 3.11Å; L315-G319 PolarHBondContact O-N 3.11Å; L315-F320 HydrophobicContact CB-CB 4.28Å; L315-F320 WeakPolarHBondContact O-CA 3.48Å; L315-F320 WeakPolarHBondContact O-CB 3.42Å; L315-F320 PolarHBondContact O-N 3.06Å |
| 316 | S | 87.8 | Confident | 83.1 | Confident | 54 Ų | 54 | 105.4 Ų | 105.4 | 38% | 0.378 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 176.7 | 75 | 0 | 0 | 0 | 0 | 112.6 | Q312 M313 K318 G319 | Q312-S316 WeakPolarHBondContact O-CB 3.43Å; Q312-S316 PolarHBondContact O-N 3.19Å; Q312-S316 PolarHBondContact O-OG 3.41Å; M313-S316 PolarHBondContact O-N 2.94Å; M313-S316 PolarHBondContact O-OG 3.32Å; S316-K318 VanDerWaalsContact C-N 3.32Å; S316-K318 PolarHBondContact O-N 2.8Å; S316-G319 PolarHBondContact O-N 2.96Å |
| 317 | M | 87.8 | Confident | 81.9 | Confident | 158 Ų | 158 | 111.4 Ų | 111.4 | 78% | 0.778 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68 | -30.7 | 174.1 | -67.8 | -68.7 | -179.4 | 0 | 0 | 112.4 | M313 E314 L315 G319 | M313-M317 WeakPolarHBondContact O-CG 3.47Å; M313-M317 PolarHBondContact O-N 3.35Å; E314-M317 PolarHBondContact O-N 2.76Å; L315-M317 VanDerWaalsContact C-N 3.33Å; L315-M317 PolarHBondContact O-N 3.09Å; M317-G319 PolarHBondContact O-N 3.17Å |
| 318 | K | 89.4 | Confident | 80.9 | Confident | 130 Ų | 130 | 112.2 Ų | 112.2 | 57% | 0.565 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 10.5 | 174.3 | -73.6 | 174.3 | 172.4 | 175.3 | 0 | 114 | E314 L315 S316 F320 | E314-K318 HydrophobicContact CG-CD 4.28Å; E314-K318 WeakPolarHBondContact O-CB 3.33Å; E314-K318 WeakPolarHBondContact O-CG 3.41Å; E314-K318 PolarHBondContact O-N 3.08Å; E314-K318 WeakPolarHBondContact OE1-CE 3.39Å; E314-K318 IonicContact OE1-NZ 2.62Å; E314-K318 PolarHBondContact OE1-NZ 3.08Å; L315-K318 CarbonylContact O-C 3.5Å; L315-K318 PolarHBondContact O-N 3.05Å; L315-K318 VanDerWaalsContact O-N 3.11Å; S316-K318 VanDerWaalsContact C-N 3.32Å; S316-K318 PolarHBondContact O-N 2.8Å; K318-F320 HydrophobicContact CB-CD2 4.18Å; K318-F320 HydrophobicContact CB-CE2 4.49Å; K318-F320 WeakPolarHBondContact O-CD2 3.46Å |
| 319 | G | 86.4 | Confident | 79.8 | Confident | 60 Ų | 60 | 119.9 Ų | 119.9 | 62% | 0.619 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.2 | 13.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | L315 S316 M317 P321 | L315-G319 PolarHBondContact O-N 3.11Å; S316-G319 PolarHBondContact O-N 2.96Å; M317-G319 PolarHBondContact O-N 3.17Å; G319-P321 WeakPolarHBondContact O-CD 3.08Å |
| 320 | F | 83.1 | Confident | 78.6 | Confident | 145 Ų | 145 | 115.2 Ų | 115.2 | 64% | 0.636 | 58% | 0.583 | S | S | * | * | trans | -109.1 | 68.3 | 172.9 | -58.1 | -91.3 | 0 | 0 | 0 | 110.6 | L315 K318 | L315-F320 HydrophobicContact CB-CB 4.28Å; L315-F320 WeakPolarHBondContact O-CA 3.48Å; L315-F320 WeakPolarHBondContact O-CB 3.42Å; L315-F320 PolarHBondContact O-N 3.06Å; K318-F320 HydrophobicContact CB-CD2 4.18Å; K318-F320 HydrophobicContact CB-CE2 4.49Å; K318-F320 WeakPolarHBondContact O-CD2 3.46Å | ||
| 321 | P | 79.7 | Confident | 76.9 | Confident | 93 Ų | 93 | 114.2 Ų | 114.2 | 60% | 0.604 | 59% | 0.594 | S | S | * | * | trans | -64.8 | 152.5 | 177 | 30.2 | -36 | 0 | 0 | 0 | 111 | G319 G323 | G319-P321 WeakPolarHBondContact O-CD 3.08Å; P321-G323 PolarHBondContact O-N 3.4Å | ||
| 322 | R | 70.3 | Confident | 75.3 | Confident | 165 Ų | 165 | 119.3 Ų | 119.3 | 62% | 0.623 | 62% | 0.615 | S | S | * | * | trans | -60.5 | 106 | 166.7 | -78.8 | 173.7 | 164.1 | -100.8 | 8.7 | 108.4 | Q312 | Q312-R322 VanDerWaalsContact NE2-NH2 3.18Š| ||
| 323 | G | 71 | Confident | 73.6 | Confident | 48 Ų | 48 | 123.8 Ų | 123.8 | 50% | 0.495 | 64% | 0.641 | S | S | . | * | trans | -61 | 164.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | P321 Q325 | P321-G323 PolarHBondContact O-N 3.4Å; G323-Q325 PolarHBondContact O-N 2.91Å; G323-Q325 VanDerWaalsContact O-N 3.13Å; G323-Q325 PolarHBondContact O-NE2 2.92Å | ||
| 324 | D | 70.3 | Confident | 71.6 | Confident | 113 Ų | 113 | 127.4 Ų | 127.4 | 60% | 0.604 | 68% | 0.678 | S | S | * | * | trans | -47.8 | 117.4 | -174.7 | 176.4 | 28.5 | 0 | 0 | 0 | 112.9 | S326 | D324-S326 VanDerWaalsContact C-N 3.33Å; D324-S326 WeakPolarHBondContact OD1-CB 3.16Å; D324-S326 PolarHBondContact OD1-N 2.6Å; D324-S326 PolarHBondContact OD1-OG 3.13Å | ||
| 325 | Q | 68.1 | Low | 70.6 | Confident | 83 Ų | 83 | 129.4 Ų | 129.4 | 39% | 0.388 | 69% | 0.691 | S | S | . | * | G | 310 helix | trans | -84.5 | -7.8 | 180 | -59.5 | -63.4 | -82.3 | 0 | 0 | 112.5 | G323 R327 K328 | G323-Q325 PolarHBondContact O-N 2.91Å; G323-Q325 VanDerWaalsContact O-N 3.13Å; G323-Q325 PolarHBondContact O-NE2 2.92Å; Q325-R327 PolarHBondContact O-N 3.47Å; Q325-K328 WeakPolarHBondContact O-CB 3.48Å; Q325-K328 PolarHBondContact O-N 2.96Å; Q325-K328 VanDerWaalsContact OE1-CE 3.24Å |
| 326 | S | 66.2 | Low | 69.7 | Low | 105 Ų | 105 | 132.4 Ų | 132.4 | 73% | 0.734 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -63.5 | -7.5 | -176.5 | -46.5 | 0 | 0 | 0 | 0 | 114.3 | D324 | D324-S326 VanDerWaalsContact C-N 3.33Å; D324-S326 WeakPolarHBondContact OD1-CB 3.16Å; D324-S326 PolarHBondContact OD1-N 2.6Å; D324-S326 PolarHBondContact OD1-OG 3.13Å |
| 327 | R | 63.3 | Low | 68.7 | Low | 231 Ų | 231 | 136.7 Ų | 136.7 | 87% | 0.872 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -98.9 | -1.1 | 173.4 | -66.8 | -173.1 | 173.2 | -151.6 | -3.1 | 114.6 | Q325 | Q325-R327 PolarHBondContact O-N 3.47Š|
| 328 | K | 65.3 | Low | 67.6 | Low | 146 Ų | 146 | 135.5 Ų | 135.5 | 64% | 0.635 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -70.3 | 132.8 | 166.8 | -79.3 | -178.6 | 168.5 | 170.9 | 0 | 108.6 | Q325 A330 | Q325-K328 WeakPolarHBondContact O-CB 3.48Å; Q325-K328 PolarHBondContact O-N 2.96Å; Q325-K328 VanDerWaalsContact OE1-CE 3.24Å; K328-A330 PolarHBondContact O-N 3Å |
| 329 | R | 63.7 | Low | 66.2 | Low | 240 Ų | 240 | 135.8 Ų | 135.8 | 91% | 0.906 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 133.4 | 171.4 | -59.6 | 177.9 | -170.7 | 156 | 1.8 | 108.1 | ||
| 330 | A | 63.3 | Low | 64.9 | Low | 84 Ų | 84 | 140.9 Ų | 140.9 | 69% | 0.694 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 143.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | K328 E332 | K328-A330 PolarHBondContact O-N 3Å; A330-E332 PolarHBondContact O-N 3.46Å |
| 331 | S | 55.6 | Low | 63.6 | Low | 118 Ų | 118 | 140.6 Ų | 140.6 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | trans | -74.6 | 100.6 | 168.4 | -61.5 | 0 | 0 | 0 | 0 | 107.9 | D333 | S331-D333 VanDerWaalsContact C-N 3.3Å; S331-D333 PolarHBondContact O-N 3.05Å; S331-D333 VanDerWaalsContact O-N 3.08Å | ||
| 332 | E | 54.8 | Low | 62.3 | Low | 198 Ų | 198 | 144.2 Ų | 144.2 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | trans | -78.6 | 82.1 | 171.7 | -67.6 | -178.5 | 119.2 | 0 | 0 | 109.1 | A330 | A330-E332 PolarHBondContact O-N 3.46Š| ||
| 333 | D | 52 | Low | 61.7 | Low | 151 Ų | 151 | 142.5 Ų | 142.5 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | trans | -149 | 117.4 | 169.9 | -158.7 | 21.4 | 0 | 0 | 0 | 108.3 | S331 | S331-D333 VanDerWaalsContact C-N 3.3Å; S331-D333 PolarHBondContact O-N 3.05Å; S331-D333 VanDerWaalsContact O-N 3.08Å | ||
| 334 | S | 46.4 | Very low | 60.8 | Low | 193 Ų | 193 | 151.1 Ų | 151.1 | 100% | 1.35 | 80% | 0.795 | S | S | * | * | trans | -167 | 0 | -173.1 | -70.8 | 0 | 0 | 0 | 0 | 111.8 |
Retrieved 334 of 334 residues in 472.8 ms
(Link to these results)