| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.4 | Very low | 38.8 | Very low | 232 Ų | 232 | 143.4 Ų | 143.4 | 100% | 1.143 | 78% | 0.775 | S | S | * | * | 0 | 85.9 | 0 | -60.1 | 166.2 | -177.4 | 0 | 0 | 106.3 | |||||
| 2 | V | 32 | Very low | 38.3 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | cis | 58.9 | 114.5 | 21.3 | -177.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 3 | D | 36.2 | Very low | 37.8 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 66% | 0.658 | 77% | 0.772 | S | S | * | * | cis | -161.8 | -173.9 | -8.4 | -116.1 | -71.2 | 0 | 0 | 0 | 107.3 | ||||
| 4 | H | 36.4 | Very low | 37.4 | Very low | 165 Ų | 165 | 147.9 Ų | 147.9 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | cis | -157.1 | -159.3 | 15.9 | -139.5 | 24.3 | 0 | 0 | 0 | 112 | ||||
| 5 | L | 38 | Very low | 36.9 | Very low | 146 Ų | 146 | 151.2 Ų | 151.2 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | -103.6 | -173.1 | 178.8 | -88.8 | 86.6 | 0 | 0 | 0 | 112.8 | ||||
| 6 | P | 64.3 | Low | 36.5 | Very low | 107 Ų | 107 | 146.3 Ų | 146.3 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | cis | -141.2 | -136.2 | -47 | 43.2 | -23.7 | 0 | 0 | 0 | 113 | ||||
| 7 | I | 36.9 | Very low | 36.1 | Very low | 160 Ų | 160 | 146.9 Ų | 146.9 | 82% | 0.821 | 76% | 0.759 | S | S | * | * | trans | 96.6 | 122.6 | 173.6 | -55.5 | 165 | 0 | 0 | 0 | 113.1 | ||||
| 8 | G | 33.9 | Very low | 36.1 | Very low | 64 Ų | 64 | 145.1 Ų | 145.1 | 66% | 0.66 | 76% | 0.761 | S | S | * | * | cis | 107.5 | 126.8 | 7.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 9 | E | 37.5 | Very low | 36.4 | Very low | 186 Ų | 186 | 144.4 Ų | 144.4 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | cis | -142.2 | 137.2 | 3.1 | -67.7 | 172.7 | 148.1 | 0 | 0 | 106.1 | ||||
| 10 | E | 37.8 | Very low | 36.3 | Very low | 172 Ų | 172 | 141.6 Ų | 141.6 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | 60.2 | 138.8 | 78.4 | -69.6 | -113.8 | 95.5 | 0 | 0 | 116.2 | |||||
| 11 | T | 35.6 | Very low | 35.9 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 58% | 0.577 | 76% | 0.763 | S | S | * | * | cis | -171.9 | 130.5 | -23.1 | -107.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 12 | F | 32.9 | Very low | 35.6 | Very low | 183 Ų | 183 | 138 Ų | 138 | 80% | 0.803 | 74% | 0.744 | S | S | * | * | trans | 54.1 | 152.6 | 154.3 | -72.3 | -116.8 | 0 | 0 | 0 | 120.7 | ||||
| 13 | M | 31.7 | Very low | 35.4 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 70% | 0.7 | 75% | 0.746 | S | S | * | * | cis | 116.7 | 104.2 | 5.5 | -72 | -83.7 | -72.1 | 0 | 0 | 115.5 | ||||
| 14 | Y | 31.8 | Very low | 35.1 | Very low | 168 Ų | 168 | 138 Ų | 138 | 66% | 0.659 | 74% | 0.744 | S | S | * | * | trans | 81.6 | 152.7 | 134.8 | -103.5 | -88.5 | 0 | 0 | 0 | 125.2 | ||||
| 15 | Y | 30.7 | Very low | 34.7 | Very low | 198 Ų | 198 | 135.9 Ų | 135.9 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | 73.5 | 150.5 | 158.7 | -71.2 | -54.9 | 0 | 0 | 0 | 119.1 | ||||
| 16 | A | 29.9 | Very low | 34.2 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 60% | 0.603 | 75% | 0.745 | S | S | * | * | cis | -161.7 | 160.6 | -0.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 17 | N | 30 | Very low | 32.6 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | trans | 66.1 | 145.8 | 145.3 | -61.9 | -9.7 | 0 | 0 | 0 | 123.8 | ||||
| 18 | S | 35.5 | Very low | 32.3 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -90.8 | 169.8 | 168.4 | -44.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 19 | P | 42.3 | Very low | 32.4 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | -135.3 | -172.4 | 105.4 | 39.4 | -29.5 | 0 | 0 | 0 | 113 | |||||
| 20 | A | 34.1 | Very low | 31.8 | Very low | 87 Ų | 87 | 137.9 Ų | 137.9 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | trans | -117.5 | 154.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 21 | D | 28.4 | Very low | 31.9 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | -179.2 | 164.3 | 124.2 | -108.4 | -44.6 | 0 | 0 | 0 | 112.7 | |||||
| 22 | H | 30.8 | Very low | 31.4 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | trans | 41 | 120.1 | 166.4 | -49 | -40.1 | 0 | 0 | 0 | 118.6 | ||||
| 23 | H | 28.1 | Very low | 31.7 | Very low | 179 Ų | 179 | 131.3 Ų | 131.3 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | -159.4 | 147.8 | 55 | -129.3 | -81.9 | 0 | 0 | 0 | 112.4 | |||||
| 24 | A | 29.7 | Very low | 31.5 | Very low | 73 Ų | 73 | 134.5 Ų | 134.5 | 60% | 0.603 | 75% | 0.751 | S | S | * | * | trans | -97.4 | 154.1 | 163 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 25 | S | 29.6 | Very low | 31.3 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | -153.2 | 105.6 | 161.7 | -82.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 26 | D | 27.1 | Very low | 31.3 | Very low | 136 Ų | 136 | 130 Ų | 130 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -71.8 | 149.2 | -164.5 | -55.8 | -86.4 | 0 | 0 | 0 | 115.3 | V28 | D26-V28 HydrophobicContact CB-CG2 4.45Å; D26-V28 PolarHBondContact O-N 3.44Å; D26-V28 VanDerWaalsContact O-N 3.14Å | ||
| 27 | M | 30.8 | Very low | 31.1 | Very low | 187 Ų | 187 | 134.9 Ų | 134.9 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | -76 | 92.1 | 159.2 | -71.1 | -171.4 | 178.8 | 0 | 0 | 109.2 | T29 | M27-T29 PolarHBondContact O-N 3.49Å; M27-T29 VanDerWaalsContact O-N 3.07Å | ||
| 28 | V | 29.6 | Very low | 31.1 | Very low | 126 Ų | 126 | 133 Ų | 133 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | -71.5 | 102.9 | 175.9 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | D26 D30 | D26-V28 HydrophobicContact CB-CG2 4.45Å; D26-V28 PolarHBondContact O-N 3.44Å; D26-V28 VanDerWaalsContact O-N 3.14Å; V28-D30 HydrophobicContact CG1-CB 4.29Å; V28-D30 PolarHBondContact O-N 2.96Å; V28-D30 VanDerWaalsContact O-N 3.15Å | ||
| 29 | T | 36.2 | Very low | 30.7 | Very low | 125 Ų | 125 | 133 Ų | 133 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | trans | -76.4 | 86.9 | 163.4 | 53.1 | 0 | 0 | 0 | 0 | 109.4 | M27 T31 | M27-T29 PolarHBondContact O-N 3.49Å; M27-T29 VanDerWaalsContact O-N 3.07Å; T29-T31 PolarHBondContact O-N 3.1Å | ||
| 30 | D | 25.1 | Very low | 30.2 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | -77 | 95.5 | 178.5 | -171.2 | 14.8 | 0 | 0 | 0 | 111.8 | V28 G32 | V28-D30 HydrophobicContact CG1-CB 4.29Å; V28-D30 PolarHBondContact O-N 2.96Å; V28-D30 VanDerWaalsContact O-N 3.15Å; D30-G32 PolarHBondContact O-N 2.91Å; D30-G32 VanDerWaalsContact OD1-CA 3.27Å; D30-G32 WeakPolarHBondContact OD1-CA 3.34Å; D30-G32 PolarHBondContact OD1-N 3Å | ||
| 31 | T | 40.2 | Very low | 29.7 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | -79 | 59.5 | 162.6 | 51.1 | 0 | 0 | 0 | 0 | 110.5 | T29 V33 | T29-T31 PolarHBondContact O-N 3.1Å; T31-V33 PolarHBondContact O-N 3.2Å | ||
| 32 | G | 25.4 | Very low | 29.7 | Very low | 40 Ų | 40 | 136.9 Ų | 136.9 | 41% | 0.412 | 78% | 0.78 | S | S | . | * | trans | -77.8 | 101.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113 | D30 Y34 | D30-G32 PolarHBondContact O-N 2.91Å; D30-G32 VanDerWaalsContact OD1-CA 3.27Å; D30-G32 WeakPolarHBondContact OD1-CA 3.34Å; D30-G32 PolarHBondContact OD1-N 3Å; G32-Y34 PolarHBondContact O-N 2.96Å | ||
| 33 | V | 38.3 | Very low | 29.7 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -76.1 | 110.7 | 168.6 | 177 | 0 | 0 | 0 | 0 | 109.1 | T31 | T31-V33 PolarHBondContact O-N 3.2Š| ||
| 34 | Y | 28 | Very low | 29.9 | Very low | 210 Ų | 210 | 137.5 Ų | 137.5 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -119.5 | 140.4 | 170.9 | -89.6 | -83.8 | 0 | 0 | 0 | 112.8 | G32 | G32-Y34 PolarHBondContact O-N 2.96Š| ||
| 35 | Q | 28.2 | Very low | 29.9 | Very low | 180 Ų | 180 | 139.6 Ų | 139.6 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -78.8 | 149.2 | -166.9 | -67.8 | 161.9 | -81.8 | 0 | 0 | 112.6 | L37 | Q35-L37 PolarHBondContact O-N 3.28Š| ||
| 36 | A | 29.2 | Very low | 30.4 | Very low | 91 Ų | 91 | 142.5 Ų | 142.5 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -69.4 | 119.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S38 | A36-S38 PolarHBondContact O-N 3Š| ||
| 37 | L | 27.2 | Very low | 30.8 | Very low | 175 Ų | 175 | 141.3 Ų | 141.3 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -87.8 | 95.5 | 159.5 | -70.1 | 179.2 | 0 | 0 | 0 | 108.6 | Q35 | Q35-L37 PolarHBondContact O-N 3.28Š| ||
| 38 | S | 29.3 | Very low | 30.8 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -74.2 | 127.6 | 171.2 | -60.1 | 0 | 0 | 0 | 0 | 110.2 | A36 | A36-S38 PolarHBondContact O-N 3Š| ||
| 39 | S | 26.6 | Very low | 30.9 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -136.7 | 143.3 | 167.2 | -156.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 40 | P | 31.6 | Very low | 30.6 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -83.7 | 138.1 | -150.2 | 31.2 | -35.5 | 0 | 0 | 0 | 113.6 | ||||
| 41 | F | 25 | Very low | 30.8 | Very low | 204 Ų | 204 | 135.7 Ų | 135.7 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -135.8 | 149.5 | 158 | -108.5 | -86.9 | 0 | 0 | 0 | 110.3 | ||||
| 42 | S | 26.8 | Very low | 30.2 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -59.3 | 137.1 | -169.1 | -32 | 0 | 0 | 0 | 0 | 113.2 | D44 | S42-D44 PolarHBondContact O-N 3.28Š| ||
| 43 | E | 31.8 | Very low | 30.4 | Very low | 195 Ų | 195 | 143.5 Ų | 143.5 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -71.2 | 116 | 168.2 | -61 | -172.5 | 106.6 | 0 | 0 | 110.4 | ||||
| 44 | D | 32 | Very low | 29.9 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -164.7 | 145.9 | 150.5 | -117 | -29.8 | 0 | 0 | 0 | 112.4 | S42 | S42-D44 PolarHBondContact O-N 3.28Š| ||
| 45 | D | 29.4 | Very low | 29.7 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 63% | 0.626 | 80% | 0.804 | S | S | * | * | trans | 52.3 | 81.3 | 175.8 | -86.1 | -23.1 | 0 | 0 | 0 | 118.5 | S47 K424 | D45-S47 PolarHBondContact O-N 3Å; D45-K424 IonicContact OD2-NZ 3.72Å; D45-K424 PolarHBondContact OD2-NZ 3.32Å | ||
| 46 | L | 40.2 | Very low | 29.7 | Very low | 181 Ų | 181 | 135 Ų | 135 | 95% | 0.948 | 81% | 0.806 | S | S | * | * | trans | -62.1 | 106.6 | 162.7 | -70.1 | 164.7 | 0 | 0 | 0 | 113 | ||||
| 47 | S | 35.1 | Very low | 29.6 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -177.6 | 83.5 | 144 | 47.7 | 0 | 0 | 0 | 0 | 115.3 | D45 | D45-S47 PolarHBondContact O-N 3Š| ||
| 48 | D | 32 | Very low | 30.1 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 62% | 0.62 | 80% | 0.802 | S | S | * | * | trans | -144.5 | 67.7 | 163.8 | -143.2 | -22 | 0 | 0 | 0 | 112.9 | H431 | D48-H431 IonicContact OD1-NE2 3.03Š| ||
| 49 | S | 31.3 | Very low | 30 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -145.5 | 62.3 | -177.9 | 52.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 50 | S | 29.9 | Very low | 30.1 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -151.9 | 80.6 | 169.2 | 33.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 51 | S | 29 | Very low | 30 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | -163.3 | 52.7 | 154.8 | -118.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 52 | A | 28.4 | Very low | 30.4 | Very low | 92 Ų | 92 | 138 Ų | 138 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | -128.5 | 76.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 53 | R | 29.5 | Very low | 30.5 | Very low | 246 Ų | 246 | 140.5 Ų | 140.5 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | -143.3 | 82 | 170.2 | -80.6 | -164.7 | 174.3 | -160.4 | -1.6 | 110.9 | ||||
| 54 | S | 27 | Very low | 30.3 | Very low | 87 Ų | 87 | 134.3 Ų | 134.3 | 61% | 0.608 | 80% | 0.804 | S | S | * | * | trans | -159.6 | 72.8 | 162.3 | -81.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 55 | C | 24.6 | Very low | 30.1 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 91% | 0.905 | 81% | 0.805 | S | S | * | * | trans | -125 | 124.8 | 157.9 | -67.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 56 | S | 28.2 | Very low | 30.1 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -106.6 | 140.7 | 177.4 | -57.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 57 | S | 26.9 | Very low | 29.5 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -145.6 | 144.2 | 158.1 | -143.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 58 | P | 38.6 | Very low | 29.2 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | trans | -88.4 | 149.1 | -178.3 | 35.2 | -33.1 | 0 | 0 | 0 | 111.6 | ||||
| 59 | E | 26 | Very low | 29 | Very low | 200 Ų | 200 | 133 Ų | 133 | 94% | 0.935 | 82% | 0.819 | S | S | * | * | trans | -156.2 | 152 | 140.5 | -122.9 | 177 | 169.5 | 0 | 0 | 111 | ||||
| 60 | S | 29.7 | Very low | 28.9 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -105.9 | 115.6 | -167.7 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 61 | Q | 29.8 | Very low | 28.7 | Very low | 196 Ų | 196 | 133.7 Ų | 133.7 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | -133.2 | 151.4 | 155.8 | -68.5 | -161.6 | 7.2 | 0 | 0 | 111.2 | ||||
| 62 | V | 32.7 | Very low | 28.6 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 80% | 0.8 | 83% | 0.825 | S | S | * | * | trans | -98 | 170.4 | -170.7 | 175.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 63 | L | 29.2 | Very low | 28.5 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 89% | 0.89 | 83% | 0.828 | S | S | * | * | trans | 77 | 139.1 | -172.6 | -42.6 | 171.5 | 0 | 0 | 0 | 112.2 | ||||
| 64 | G | 26.5 | Very low | 28.3 | Very low | 65 Ų | 65 | 127.2 Ų | 127.2 | 67% | 0.67 | 82% | 0.824 | S | S | * | * | cis | 170.8 | 160.4 | -5.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 65 | S | 27.3 | Very low | 28.5 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 87% | 0.867 | 84% | 0.839 | S | S | * | * | trans | 69.2 | 123.7 | 171.4 | -60.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 66 | S | 31.2 | Very low | 28.6 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | trans | -55.6 | 146 | 168.6 | 51.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 67 | Y | 27.4 | Very low | 28.8 | Very low | 221 Ų | 221 | 132.2 Ų | 132.2 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | -152.1 | 136.2 | 127.7 | 26.9 | -103.5 | 0 | 0 | 0 | 110.5 | |||||
| 68 | G | 27.2 | Very low | 29 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | -99.2 | 151 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 69 | S | 28.5 | Very low | 28.5 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 88% | 0.881 | 82% | 0.819 | S | S | * | * | trans | -139.8 | 114.6 | 169 | -69.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 70 | S | 28.4 | Very low | 28.6 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -93 | 158.4 | 174.4 | 43.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 71 | S | 26.4 | Very low | 28.7 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | -146 | 141.4 | 166.7 | 52 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 72 | S | 26.8 | Very low | 28.9 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | cis | -160.3 | -171.6 | -10.9 | 58.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 73 | S | 27.2 | Very low | 28.6 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | 88.9 | 102.5 | 157.4 | -47.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 74 | G | 25.8 | Very low | 28.6 | Very low | 80 Ų | 80 | 127 Ų | 127 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -153.4 | 137 | 157.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 75 | E | 30.1 | Very low | 28.8 | Very low | 200 Ų | 200 | 130.6 Ų | 130.6 | 94% | 0.935 | 79% | 0.788 | S | S | * | * | trans | -99.4 | 148.5 | -168.8 | -64 | 160.5 | 98 | 0 | 0 | 111.9 | ||||
| 76 | S | 27.6 | Very low | 28.9 | Very low | 93 Ų | 93 | 130.5 Ų | 130.5 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | 150.8 | 132.5 | 123 | -152.4 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 77 | Q | 31.9 | Very low | 29 | Very low | 160 Ų | 160 | 132.8 Ų | 132.8 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | 55.7 | 128.8 | 138.8 | -75.1 | 174.1 | -45.5 | 0 | 0 | 125.6 | ||||
| 78 | D | 30.2 | Very low | 29.1 | Very low | 147 Ų | 147 | 126.3 Ų | 126.3 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | 76.3 | 144.7 | 131.6 | -54.1 | -14.7 | 0 | 0 | 0 | 123.3 | ||||
| 79 | G | 29.1 | Very low | 29.2 | Very low | 76 Ų | 76 | 128.4 Ų | 128.4 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | trans | 98.1 | 104.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 80 | L | 28.7 | Very low | 29.2 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | cis | 90.7 | 113.4 | 20.8 | -163.4 | 141.2 | 0 | 0 | 0 | 115.5 | ||||
| 81 | L | 31.9 | Very low | 29.3 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 67.5 | 145.9 | 173 | -70.6 | 175.3 | 0 | 0 | 0 | 116.8 | ||||
| 82 | D | 32.4 | Very low | 29.6 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | cis | -164.2 | -176.6 | -12.4 | -165.3 | 11 | 0 | 0 | 0 | 110.8 | ||||
| 83 | F | 26.8 | Very low | 29.6 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | trans | 109.5 | 88 | 137.1 | -132.9 | -102.3 | 0 | 0 | 0 | 121.3 | ||||
| 84 | L | 29.5 | Very low | 29.7 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | trans | 54.4 | 110.2 | 132.4 | -57 | -166.7 | 0 | 0 | 0 | 123.1 | ||||
| 85 | L | 30.4 | Very low | 29.8 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | 46.3 | 119.2 | 106.5 | -171 | 74.7 | 0 | 0 | 0 | 120.5 | Q87 | L85-Q87 HydrophobicContact CD1-CG 4.28Š| |||
| 86 | S | 28.8 | Very low | 30.4 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | -150.7 | 166 | 133.8 | -162.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 87 | Q | 33.2 | Very low | 30.3 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | -128 | -179.4 | -170.3 | -59.9 | -173.7 | 32 | 0 | 0 | 113.4 | L85 | L85-Q87 HydrophobicContact CD1-CG 4.28Š| ||
| 88 | A | 29.6 | Very low | 30.1 | Very low | 84 Ų | 84 | 139.1 Ų | 139.1 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | trans | 86.3 | 148.2 | 144.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 89 | T | 30.3 | Very low | 30 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | cis | -168 | -178.4 | -22 | 32.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 90 | L | 28.7 | Very low | 30.7 | Very low | 144 Ų | 144 | 138.4 Ų | 138.4 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | 81.3 | 146.5 | 162.6 | -48.4 | 178 | 0 | 0 | 0 | 115.9 | ||||
| 91 | R | 29.7 | Very low | 30.5 | Very low | 220 Ų | 220 | 136.4 Ų | 136.4 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | cis | -155.6 | 145.5 | -15.6 | -101.8 | 171.1 | -175.5 | -142.1 | 5.1 | 105.3 | ||||
| 92 | R | 33 | Very low | 30.4 | Very low | 250 Ų | 250 | 135.9 Ų | 135.9 | 94% | 0.943 | 77% | 0.77 | S | S | * | * | cis | 101.2 | 110 | 34.8 | -162.5 | -170.8 | -154.2 | -161.8 | 9.5 | 113.6 | ||||
| 93 | G | 26.7 | Very low | 30.7 | Very low | 68 Ų | 68 | 135.3 Ų | 135.3 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | 125.9 | 151.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 94 | V | 28.7 | Very low | 31.6 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | cis | -152.1 | 159.2 | -7.5 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 95 | T | 28.6 | Very low | 31.6 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | -104.8 | 165.3 | 176.9 | 60.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 96 | P | 42.3 | Very low | 31.5 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | -132.7 | 155.9 | 77.8 | 12 | 13 | 0 | 0 | 0 | 113 | |||||
| 97 | S | 26.9 | Very low | 32.5 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | 70.2 | 104.5 | 59.3 | -174.4 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 98 | L | 27 | Very low | 32.2 | Very low | 175 Ų | 175 | 136.7 Ų | 136.7 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -172.4 | 150.8 | 133 | -102.4 | 166.1 | 0 | 0 | 0 | 112.5 | ||||
| 99 | S | 28.6 | Very low | 32.1 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | -138.3 | 175.8 | 169.3 | 73 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 100 | P | 42.3 | Very low | 32.1 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | cis | -152.8 | -156 | 40.3 | 43.6 | -19.9 | 0 | 0 | 0 | 116 | ||||
| 101 | S | 24.7 | Very low | 32.1 | Very low | 112 Ų | 112 | 135 Ų | 135 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | 97.8 | 136.9 | 149.4 | 76.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 102 | V | 30.6 | Very low | 31.8 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | -156.5 | 121.8 | -178.7 | 173.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 103 | P | 39.3 | Very low | 31.5 | Very low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | -153.2 | -161.4 | 106.8 | 45.3 | -27.4 | 0 | 0 | 0 | 111.4 | |||||
| 104 | P | 44.2 | Very low | 31.5 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | cis | -130.1 | -176.9 | -10.7 | 40.7 | -23.8 | 0 | 0 | 0 | 115.3 | ||||
| 105 | I | 31.1 | Very low | 31.5 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -111.3 | 153.6 | 165.3 | -60.4 | 164.7 | 0 | 0 | 0 | 107.9 | ||||
| 106 | L | 27.2 | Very low | 31.4 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | 164 | 165.5 | 140 | -85.3 | 172.5 | 0 | 0 | 0 | 111.7 | ||||
| 107 | P | 49.7 | Very low | 30.7 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -124.7 | 176.4 | -134.7 | 45.1 | -36 | 0 | 0 | 0 | 116.9 | ||||
| 108 | M | 27.8 | Very low | 30.8 | Very low | 188 Ų | 188 | 145.5 Ų | 145.5 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | trans | -159.1 | 150.8 | 154.5 | -112.5 | 171.3 | -79.1 | 0 | 0 | 110.6 | ||||
| 109 | G | 27.1 | Very low | 30.8 | Very low | 65 Ų | 65 | 145.6 Ų | 145.6 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | cis | 147 | 8 | -10.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 110 | L | 30.3 | Very low | 30.6 | Very low | 164 Ų | 164 | 146.3 Ų | 146.3 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -138.8 | 135.2 | 175.5 | -64.2 | 173.4 | 0 | 0 | 0 | 108.6 | ||||
| 111 | A | 27.4 | Very low | 30 | Very low | 84 Ų | 84 | 147 Ų | 147 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | cis | 97 | 151.2 | 33.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 112 | W | 24.7 | Very low | 30.1 | Very low | 222 Ų | 222 | 147.9 Ų | 147.9 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | 73.7 | 147.1 | -172.9 | 125.9 | -69.4 | 0 | 0 | 0 | 116.5 | ||||
| 113 | E | 25.6 | Very low | 29.9 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | cis | -164.8 | 161.1 | -38.3 | -129.1 | 176.4 | 135.2 | 0 | 0 | 110.7 | ||||
| 114 | S | 27.9 | Very low | 29.4 | Very low | 100 Ų | 100 | 150.7 Ų | 150.7 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -69 | 131.6 | 176.3 | 139.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 115 | K | 28.4 | Very low | 28.8 | Very low | 184 Ų | 184 | 153.8 Ų | 153.8 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -126 | 115.9 | 151.9 | -126.9 | 175 | -173.9 | 178.1 | 0 | 112.3 | ||||
| 116 | R | 27.2 | Very low | 28.6 | Very low | 217 Ų | 217 | 155.3 Ų | 155.3 | 82% | 0.819 | 81% | 0.805 | S | S | * | * | trans | -101.6 | 97.5 | 180 | 174.7 | -157.5 | -64.4 | 152.9 | -2.5 | 108 | ||||
| 117 | D | 26 | Very low | 28.5 | Very low | 140 Ų | 140 | 153.1 Ų | 153.1 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | trans | -99.7 | 141.1 | 171.2 | -83.5 | -60.4 | 0 | 0 | 0 | 111.6 | ||||
| 118 | R | 30.5 | Very low | 27.2 | Very low | 230 Ų | 230 | 157.5 Ų | 157.5 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | trans | -96 | 117 | -173.9 | -65.6 | 173.4 | 175 | -124 | 6.5 | 110.3 | ||||
| 119 | L | 26.5 | Very low | 27 | Very low | 176 Ų | 176 | 156.9 Ų | 156.9 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -137.9 | 112.1 | 154.1 | -77 | -180 | 0 | 0 | 0 | 110.2 | ||||
| 120 | S | 24.7 | Very low | 26.9 | Very low | 115 Ų | 115 | 162.8 Ų | 162.8 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -113.4 | 124 | 170.7 | 54.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 121 | P | 29.2 | Very low | 26.9 | Very low | 125 Ų | 125 | 160.3 Ų | 160.3 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -103.2 | 138.7 | 150.3 | 33.6 | -27.2 | 0 | 0 | 0 | 110.4 | ||||
| 122 | T | 27.2 | Very low | 26.8 | Very low | 130 Ų | 130 | 165.2 Ų | 165.2 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | trans | -78 | 136 | 175.8 | 48.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 123 | T | 26.5 | Very low | 27 | Very low | 125 Ų | 125 | 164.1 Ų | 164.1 | 77% | 0.767 | 82% | 0.817 | S | S | * | * | trans | -178 | 134.3 | 130.7 | 26.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 124 | K | 27.9 | Very low | 27.3 | Very low | 190 Ų | 190 | 161.8 Ų | 161.8 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | 48.6 | 104.3 | 155.7 | -55.7 | 178.3 | -179.4 | -175.8 | 0 | 115.7 | ||||
| 125 | E | 32.5 | Very low | 27.6 | Very low | 185 Ų | 185 | 161.7 Ų | 161.7 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | 43.8 | 73.1 | 55.6 | -64.2 | -160.7 | -177.9 | 0 | 0 | 114.1 | |||||
| 126 | E | 26.8 | Very low | 27.8 | Very low | 188 Ų | 188 | 159.9 Ų | 159.9 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | trans | -127.6 | 111.6 | 134.6 | -73.7 | -170.2 | 126 | 0 | 0 | 107.5 | F128 | E126-F128 PolarHBondContact O-N 3.42Š| ||
| 127 | C | 23.7 | Very low | 28.3 | Very low | 117 Ų | 117 | 154.9 Ų | 154.9 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -80.8 | 103.5 | 178.8 | -66.9 | 0 | 0 | 0 | 0 | 109.8 | E129 | C127-E129 PolarHBondContact O-N 2.6Š| ||
| 128 | F | 23 | Very low | 28.8 | Very low | 201 Ų | 201 | 155.1 Ų | 155.1 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | -79.1 | 95.3 | 162.7 | -123 | -87.1 | 0 | 0 | 0 | 108.6 | E126 F130 | E126-F128 PolarHBondContact O-N 3.42Å; F128-F130 PolarHBondContact O-N 3.48Å | ||
| 129 | E | 24.3 | Very low | 29 | Very low | 174 Ų | 174 | 151.9 Ų | 151.9 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -61 | 126.7 | 174.1 | -70.7 | 179.4 | 126.1 | 0 | 0 | 109.9 | C127 | C127-E129 PolarHBondContact O-N 2.6Š| ||
| 130 | F | 25.5 | Very low | 29.3 | Very low | 189 Ų | 189 | 149 Ų | 149 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -66.2 | 130.1 | 161.2 | -86.7 | -107.2 | 0 | 0 | 0 | 107.6 | F128 E132 | F128-F130 PolarHBondContact O-N 3.48Å; F130-E132 PolarHBondContact O-N 3.25Å; F130-E132 VanDerWaalsContact O-N 3.1Å | ||
| 131 | P | 29.1 | Very low | 30.1 | Very low | 113 Ų | 113 | 150.7 Ų | 150.7 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -63.9 | 115.7 | 167.2 | 26.8 | -32.1 | 0 | 0 | 0 | 108.3 | F133 | P131-F133 PolarHBondContact O-N 2.89Š| ||
| 132 | E | 26.7 | Very low | 30.2 | Very low | 186 Ų | 186 | 148 Ų | 148 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | -60.1 | 135.7 | 178 | -61.5 | -172 | 130 | 0 | 0 | 110.3 | F130 P134 | F130-E132 PolarHBondContact O-N 3.25Å; F130-E132 VanDerWaalsContact O-N 3.1Å; E132-P134 VanDerWaalsContact O-CD 3.3Å; E132-P134 WeakPolarHBondContact O-CD 3.28Å | ||
| 133 | F | 28.8 | Very low | 30.6 | Very low | 200 Ų | 200 | 147.7 Ų | 147.7 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -72.9 | 121.5 | 176 | -81.3 | -94.6 | 0 | 0 | 0 | 110.1 | P131 A135 | P131-F133 PolarHBondContact O-N 2.89Å; F133-A135 PolarHBondContact O-N 3.49Å; F133-A135 VanDerWaalsContact O-N 3.12Å | ||
| 134 | P | 31 | Very low | 31 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -67.8 | 111.6 | 170.8 | -17.1 | 32.2 | 0 | 0 | 0 | 109.5 | E132 D136 | E132-P134 VanDerWaalsContact O-CD 3.3Å; E132-P134 WeakPolarHBondContact O-CD 3.28Å; P134-D136 PolarHBondContact O-N 3.09Å | ||
| 135 | A | 33.7 | Very low | 31.9 | Very low | 98 Ų | 98 | 143 Ų | 143 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -82.9 | 44.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F133 | F133-A135 PolarHBondContact O-N 3.49Å; F133-A135 VanDerWaalsContact O-N 3.12Å |
| 136 | D | 33.5 | Very low | 32.2 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | trans | -159.4 | 113.6 | 170.5 | -100.7 | -42.4 | 0 | 0 | 0 | 109.5 | P134 | P134-D136 PolarHBondContact O-N 3.09Š| ||
| 137 | L | 36.6 | Very low | 32.8 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 59% | 0.592 | 72% | 0.724 | S | S | * | * | trans | -157.2 | 37.1 | 179 | -152.7 | 74.5 | 0 | 0 | 0 | 115.6 | D139 H140 | L137-D139 VanDerWaalsContact C-N 3.33Å; L137-H140 HydrophobicContact CD1-CB 3.86Å; L137-H140 HydrophobicContact CG-CB 4.07Å | ||
| 138 | D | 36.4 | Very low | 33.9 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 78% | 0.775 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -21.8 | 170.5 | -87.9 | -59.4 | 0 | 0 | 0 | 112.9 | ||
| 139 | D | 35.8 | Very low | 34.8 | Very low | 161 Ų | 161 | 130 Ų | 130 | 86% | 0.861 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 7.2 | -174.8 | -85.2 | -36.5 | 0 | 0 | 0 | 116 | L137 | L137-D139 VanDerWaalsContact C-N 3.33Š|
| 140 | H | 33.3 | Very low | 36.2 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 53% | 0.532 | 69% | 0.685 | S | S | . | * | trans | -117.1 | 36.9 | -179.5 | -85.8 | 13.8 | 0 | 0 | 0 | 114.8 | L137 G142 | L137-H140 HydrophobicContact CD1-CB 3.86Å; L137-H140 HydrophobicContact CG-CB 4.07Å; H140-G142 PolarHBondContact O-N 2.87Å; H140-G142 VanDerWaalsContact O-N 3.11Å | ||
| 141 | I | 39.9 | Very low | 37.2 | Very low | 152 Ų | 152 | 120.2 Ų | 120.2 | 78% | 0.779 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -23.1 | 173 | -63.7 | 174.2 | 0 | 0 | 0 | 112.8 | ||
| 142 | G | 32 | Very low | 37.8 | Very low | 69 Ų | 69 | 118.2 Ų | 118.2 | 71% | 0.711 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -21 | -170 | 0 | 0 | 0 | 0 | 0 | 118.5 | H140 | H140-G142 PolarHBondContact O-N 2.87Å; H140-G142 VanDerWaalsContact O-N 3.11Å |
| 143 | L | 35.7 | Very low | 38.9 | Very low | 122 Ų | 122 | 115.1 Ų | 115.1 | 64% | 0.639 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | -10.2 | -161.6 | -67.9 | 177.9 | 0 | 0 | 0 | 116.9 | F145 | L143-F145 VanDerWaalsContact C-N 3.33Å; L143-F145 PolarHBondContact O-N 2.99Å |
| 144 | L | 34 | Very low | 40.2 | Very low | 113 Ų | 113 | 108.2 Ų | 108.2 | 59% | 0.592 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -88 | 6.9 | 179.8 | -65.7 | 177.4 | 0 | 0 | 0 | 114.7 | R408 | L144-R408 PolarHBondContact O-NH2 3.21Š|
| 145 | F | 47.4 | Very low | 40.7 | Very low | 103 Ų | 103 | 108.8 Ų | 108.8 | 45% | 0.452 | 58% | 0.583 | S | S | . | * | trans | -129.1 | 62 | 179.3 | -74.3 | -86.5 | 0 | 0 | 0 | 112.1 | L143 P147 | L143-F145 VanDerWaalsContact C-N 3.33Å; L143-F145 PolarHBondContact O-N 2.99Å; F145-P147 WeakPolarHBondContact O-CD 3.34Å | ||
| 146 | Q | 39.3 | Very low | 41.3 | Very low | 151 Ų | 151 | 108.8 Ų | 108.8 | 71% | 0.706 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -66 | 119.1 | 151.8 | -65.9 | -75.6 | -50.4 | 0 | 0 | 107.7 | ||
| 147 | P | 38.8 | Very low | 42.3 | Very low | 69 Ų | 69 | 106.5 Ų | 106.5 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -70 | 149.2 | 166 | 30.2 | -32.5 | 0 | 0 | 0 | 109.6 | F145 E151 I152 | F145-P147 WeakPolarHBondContact O-CD 3.34Å; P147-E151 WeakPolarHBondContact CA-OE2 3.46Å; P147-E151 HydrophobicContact CB-CB 4.01Å; P147-I152 HydrophobicContact CB-CG1 4.16Å; P147-I152 HydrophobicContact CG-CD1 4.09Å; P147-I152 HydrophobicContact CG-CG1 3.8Å |
| 148 | T | 46.9 | Very low | 42.9 | Very low | 69 Ų | 69 | 104.9 Ų | 104.9 | 42% | 0.423 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 161.5 | 172.7 | 70.5 | 0 | 0 | 0 | 0 | 110.8 | E150 E151 I152 | T148-E150 PolarHBondContact O-N 3.3Å; T148-E150 PolarHBondContact OG1-N 3.3Å; T148-E151 PolarHBondContact N-OE2 2.92Å; T148-E151 PolarHBondContact O-N 3.18Å; T148-E151 WeakPolarHBondContact OG1-CG 3.44Å; T148-E151 PolarHBondContact OG1-N 2.76Å; T148-E151 VanDerWaalsContact OG1-N 3.15Å; T148-I152 WeakPolarHBondContact O-CG1 3.48Å; T148-I152 PolarHBondContact O-N 3.18Å |
| 149 | L | 43.2 | Very low | 43.2 | Very low | 131 Ų | 131 | 102.4 Ų | 102.4 | 69% | 0.686 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -55.9 | -37.9 | 172.4 | -74.9 | 168.5 | 0 | 0 | 0 | 111.5 | E151 I152 E153 | L149-E151 PolarHBondContact O-N 2.98Å; L149-I152 HydrophobicContact CD2-CD1 4.49Å; L149-I152 PolarHBondContact O-N 2.91Å; L149-E153 WeakPolarHBondContact O-CB 3.21Å; L149-E153 VanDerWaalsContact O-CG 3.31Å; L149-E153 WeakPolarHBondContact O-CG 3.37Å; L149-E153 PolarHBondContact O-N 3.01Å |
| 150 | E | 52.5 | Low | 43.5 | Very low | 118 Ų | 118 | 101.7 Ų | 101.7 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.6 | -37 | 174.3 | -54 | 176.7 | 157.7 | 0 | 0 | 112.9 | T148 E154 | T148-E150 PolarHBondContact O-N 3.3Å; T148-E150 PolarHBondContact OG1-N 3.3Å; E150-E154 WeakPolarHBondContact O-CB 3.31Å; E150-E154 PolarHBondContact O-N 2.87Å |
| 151 | E | 46.1 | Very low | 44 | Very low | 39 Ų | 39 | 101.1 Ų | 101.1 | 18% | 0.182 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -72.9 | -31.6 | 175.1 | -71.7 | 177.5 | 140.2 | 0 | 0 | 111.9 | P147 T148 L149 F155 | P147-E151 WeakPolarHBondContact CA-OE2 3.46Å; P147-E151 HydrophobicContact CB-CB 4.01Å; T148-E151 PolarHBondContact N-OE2 2.92Å; T148-E151 PolarHBondContact O-N 3.18Å; T148-E151 WeakPolarHBondContact OG1-CG 3.44Å; T148-E151 PolarHBondContact OG1-N 2.76Å; T148-E151 VanDerWaalsContact OG1-N 3.15Å; L149-E151 PolarHBondContact O-N 2.98Å; E151-F155 WeakPolarHBondContact O-CB 3.21Å; E151-F155 PolarHBondContact O-N 3.23Å; E151-F155 VanDerWaalsContact O-N 3.16Å |
| 152 | I | 42.8 | Very low | 43.7 | Very low | 70 Ų | 70 | 99.8 Ų | 99.8 | 36% | 0.359 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.5 | -42.5 | 172 | -63.6 | 167.6 | 0 | 0 | 0 | 110.2 | P147 T148 L149 F155 L156 | P147-I152 HydrophobicContact CB-CG1 4.16Å; P147-I152 HydrophobicContact CG-CD1 4.09Å; P147-I152 HydrophobicContact CG-CG1 3.8Å; T148-I152 WeakPolarHBondContact O-CG1 3.48Å; T148-I152 PolarHBondContact O-N 3.18Å; L149-I152 HydrophobicContact CD2-CD1 4.49Å; L149-I152 PolarHBondContact O-N 2.91Å; I152-F155 PolarHBondContact O-N 3.08Å; I152-L156 HydrophobicContact CG2-CD1 3.89Å; I152-L156 HydrophobicContact CG2-CG 4.35Å; I152-L156 WeakPolarHBondContact O-CB 3.36Å; I152-L156 VanDerWaalsContact O-CG 3.29Å; I152-L156 WeakPolarHBondContact O-CG 3.33Å; I152-L156 PolarHBondContact O-N 3.19Å |
| 153 | E | 49.3 | Very low | 43.6 | Very low | 121 Ų | 121 | 103 Ų | 103 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.2 | -44.8 | 176.6 | -74.6 | 169.9 | -173.5 | 0 | 0 | 111.7 | L149 F155 L156 E157 | L149-E153 WeakPolarHBondContact O-CB 3.21Å; L149-E153 VanDerWaalsContact O-CG 3.31Å; L149-E153 WeakPolarHBondContact O-CG 3.37Å; L149-E153 PolarHBondContact O-N 3.01Å; E153-F155 VanDerWaalsContact C-N 3.25Å; E153-F155 PolarHBondContact O-N 3.45Å; E153-L156 PolarHBondContact O-N 3.21Å; E153-E157 WeakPolarHBondContact O-CB 3.23Å; E153-E157 PolarHBondContact O-N 3.36Å |
| 154 | E | 56.4 | Low | 43.5 | Very low | 55 Ų | 55 | 101.2 Ų | 101.2 | 26% | 0.257 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.3 | -36.6 | 173.4 | -174.9 | 167.7 | -125.2 | 0 | 0 | 111.4 | E150 E158 S401 | E150-E154 WeakPolarHBondContact O-CB 3.31Å; E150-E154 PolarHBondContact O-N 2.87Å; E154-E158 WeakPolarHBondContact O-CB 3.35Å; E154-E158 PolarHBondContact O-N 3.39Å; E154-E158 VanDerWaalsContact O-N 3.08Å; E154-S401 PolarHBondContact OE2-OG 3.34Å |
| 155 | F | 41.7 | Very low | 43.4 | Very low | 125 Ų | 125 | 103.9 Ų | 103.9 | 55% | 0.548 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -73.3 | -35.1 | 175.1 | -176.2 | -100.7 | 0 | 0 | 0 | 113.5 | E151 I152 E153 E158 N159 | E151-F155 WeakPolarHBondContact O-CB 3.21Å; E151-F155 PolarHBondContact O-N 3.23Å; E151-F155 VanDerWaalsContact O-N 3.16Å; I152-F155 PolarHBondContact O-N 3.08Å; E153-F155 VanDerWaalsContact C-N 3.25Å; E153-F155 PolarHBondContact O-N 3.45Å; F155-E158 PolarHBondContact O-N 3.03Å; F155-N159 PolarHBondContact O-N 2.91Å; F155-N159 PolarHBondContact O-ND2 3.33Å |
| 156 | L | 46.5 | Very low | 42.6 | Very low | 97 Ų | 97 | 106.2 Ų | 106.2 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -73.3 | -41.3 | 175.7 | -71.2 | 170.9 | 0 | 0 | 0 | 111.6 | I152 E153 E158 N159 M160 | I152-L156 HydrophobicContact CG2-CD1 3.89Å; I152-L156 HydrophobicContact CG2-CG 4.35Å; I152-L156 WeakPolarHBondContact O-CB 3.36Å; I152-L156 VanDerWaalsContact O-CG 3.29Å; I152-L156 WeakPolarHBondContact O-CG 3.33Å; I152-L156 PolarHBondContact O-N 3.19Å; E153-L156 PolarHBondContact O-N 3.21Å; L156-E158 VanDerWaalsContact C-N 3.27Å; L156-E158 PolarHBondContact O-N 2.88Å; L156-N159 PolarHBondContact O-N 3.09Å; L156-M160 WeakPolarHBondContact O-CB 3.44Å; L156-M160 WeakPolarHBondContact O-CG 3.48Å; L156-M160 PolarHBondContact O-N 3.29Å; L156-M160 VanDerWaalsContact O-N 3.11Å |
| 157 | E | 54.2 | Low | 42.1 | Very low | 99 Ų | 99 | 107 Ų | 107 | 46% | 0.463 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -53.1 | -46.3 | 167.7 | -76.8 | -170.3 | 163.3 | 0 | 0 | 110 | E153 N159 K375 | E153-E157 WeakPolarHBondContact O-CB 3.23Å; E153-E157 PolarHBondContact O-N 3.36Å; E157-N159 VanDerWaalsContact C-N 3.29Å; E157-N159 PolarHBondContact O-N 3.36Å; E157-K375 IonicContact OE1-NZ 3.69Å; E157-K375 PolarHBondContact OE1-NZ 3.2Å; E157-K375 IonicContact OE2-NZ 3.77Å; E157-K375 PolarHBondContact OE2-NZ 3.43Å |
| 158 | E | 49.2 | Very low | 42.2 | Very low | 79 Ų | 79 | 110.7 Ų | 110.7 | 37% | 0.369 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.3 | -28.3 | -178 | 173 | 153.3 | -125 | 0 | 0 | 114.5 | E154 F155 L156 K370 | E154-E158 WeakPolarHBondContact O-CB 3.35Å; E154-E158 PolarHBondContact O-N 3.39Å; E154-E158 VanDerWaalsContact O-N 3.08Å; F155-E158 PolarHBondContact O-N 3.03Å; L156-E158 VanDerWaalsContact C-N 3.27Å; L156-E158 PolarHBondContact O-N 2.88Å; E158-K370 VanDerWaalsContact CG-NZ 3.33Å; E158-K370 IonicContact OE1-NZ 2.87Å; E158-K370 PolarHBondContact OE1-NZ 2.92Å |
| 159 | N | 42 | Very low | 41.3 | Very low | 92 Ų | 92 | 111.9 Ų | 111.9 | 49% | 0.492 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -99.4 | -21.1 | -176.5 | -73.7 | -84 | 0 | 0 | 0 | 114.1 | F155 L156 E157 | F155-N159 PolarHBondContact O-N 2.91Å; F155-N159 PolarHBondContact O-ND2 3.33Å; L156-N159 PolarHBondContact O-N 3.09Å; E157-N159 VanDerWaalsContact C-N 3.29Å; E157-N159 PolarHBondContact O-N 3.36Å |
| 160 | M | 43.2 | Very low | 40.5 | Very low | 146 Ų | 146 | 111.6 Ų | 111.6 | 72% | 0.719 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -88.3 | -21.4 | -174.7 | -71.3 | -66 | -69.1 | 0 | 0 | 115.1 | L156 V162 | L156-M160 WeakPolarHBondContact O-CB 3.44Å; L156-M160 WeakPolarHBondContact O-CG 3.48Å; L156-M160 PolarHBondContact O-N 3.29Å; L156-M160 VanDerWaalsContact O-N 3.11Å; M160-V162 PolarHBondContact O-N 2.71Å |
| 161 | E | 42.8 | Very low | 39.6 | Very low | 104 Ų | 104 | 116 Ų | 116 | 49% | 0.486 | 62% | 0.617 | S | S | . | * | G | 310 helix | trans | -61.6 | -9.6 | -179.8 | -91.2 | -170 | 159 | 0 | 0 | 114.8 | S371 | E161-S371 VanDerWaalsContact CD-OG 3.26Å; E161-S371 VanDerWaalsContact OE1-CB 3.32Å; E161-S371 WeakPolarHBondContact OE1-CB 3.41Å; E161-S371 PolarHBondContact OE1-OG 3.33Å; E161-S371 PolarHBondContact OE2-OG 3.35Å |
| 162 | V | 33.1 | Very low | 38.8 | Very low | 123 Ų | 123 | 118 Ų | 118 | 75% | 0.745 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -81.1 | -18.4 | -171 | -177.7 | 0 | 0 | 0 | 0 | 114 | M160 | M160-V162 PolarHBondContact O-N 2.71Š|
| 163 | V | 30.8 | Very low | 38 | Very low | 137 Ų | 137 | 118.4 Ų | 118.4 | 83% | 0.83 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -115.6 | 44.1 | -171.6 | -159.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 164 | A | 32.5 | Very low | 36.9 | Very low | 84 Ų | 84 | 120.7 Ų | 120.7 | 69% | 0.694 | 68% | 0.682 | S | S | * | * | trans | -124.8 | 47.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K166 | A164-K166 PolarHBondContact O-N 3.5Š| ||
| 165 | L | 31.9 | Very low | 35.5 | Very low | 170 Ų | 170 | 126.5 Ų | 126.5 | 89% | 0.89 | 71% | 0.714 | S | S | * | * | trans | -73.1 | 125 | 165.1 | -76.3 | 177.5 | 0 | 0 | 0 | 109.7 | ||||
| 166 | K | 31.1 | Very low | 34.9 | Very low | 152 Ų | 152 | 127.3 Ų | 127.3 | 66% | 0.661 | 72% | 0.724 | S | S | * | * | trans | -91.8 | 116 | -166.3 | -166 | -179.7 | -177 | -151.5 | 0 | 111.5 | A164 E168 | A164-K166 PolarHBondContact O-N 3.5Å; K166-E168 HydrophobicContact CD-CG 4.45Å; K166-E168 WeakPolarHBondContact CE-OE1 3.45Å; K166-E168 VanDerWaalsContact CE-OE2 3.24Å; K166-E168 WeakPolarHBondContact CE-OE2 3.49Å; K166-E168 HydrophobicContact CG-CG 4.34Å; K166-E168 IonicContact NZ-OE1 2.77Å; K166-E168 PolarHBondContact NZ-OE1 3.36Å; K166-E168 IonicContact NZ-OE2 2.63Å; K166-E168 PolarHBondContact NZ-OE2 3.32Å; K166-E168 PolarHBondContact O-N 3.39Å | ||
| 167 | N | 30 | Very low | 34.1 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | trans | -78.1 | 93.5 | 174.4 | -72.9 | -20.6 | 0 | 0 | 0 | 110.8 | ||||
| 168 | E | 39 | Very low | 32.8 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | trans | -128.7 | 87.3 | 169.4 | -80.6 | 179.5 | 159.2 | 0 | 0 | 110.7 | K166 | K166-E168 HydrophobicContact CD-CG 4.45Å; K166-E168 WeakPolarHBondContact CE-OE1 3.45Å; K166-E168 VanDerWaalsContact CE-OE2 3.24Å; K166-E168 WeakPolarHBondContact CE-OE2 3.49Å; K166-E168 HydrophobicContact CG-CG 4.34Å; K166-E168 IonicContact NZ-OE1 2.77Å; K166-E168 PolarHBondContact NZ-OE1 3.36Å; K166-E168 IonicContact NZ-OE2 2.63Å; K166-E168 PolarHBondContact NZ-OE2 3.32Å; K166-E168 PolarHBondContact O-N 3.39Å | ||
| 169 | A | 28.5 | Very low | 31.8 | Very low | 94 Ų | 94 | 132.7 Ų | 132.7 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | -168.2 | 137.4 | 168 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 170 | C | 27.7 | Very low | 31.1 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | cis | -150.7 | 146.8 | -16.9 | -86.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 171 | E | 33.2 | Very low | 30.3 | Very low | 211 Ų | 211 | 135 Ų | 135 | 99% | 0.986 | 79% | 0.786 | S | S | * | * | trans | -83.3 | 134 | 160.7 | -71.6 | -170.5 | 118.1 | 0 | 0 | 110 | ||||
| 172 | G | 27.9 | Very low | 29.6 | Very low | 80 Ų | 80 | 137 Ų | 137 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | 149.8 | 122 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 173 | G | 26.3 | Very low | 29.2 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | 89.7 | 61.1 | 142.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 174 | M | 27 | Very low | 28.9 | Very low | 169 Ų | 169 | 133.8 Ų | 133.8 | 83% | 0.833 | 81% | 0.805 | S | S | * | * | 23.2 | 119 | 128.1 | -177.2 | -176.7 | -174.1 | 0 | 0 | 119.7 | |||||
| 175 | L | 27.1 | Very low | 28.7 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 93% | 0.927 | 81% | 0.811 | S | S | * | * | trans | -153 | 139.1 | 141.9 | -87.2 | -169.7 | 0 | 0 | 0 | 111.4 | ||||
| 176 | D | 29.7 | Very low | 29.1 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | -97.1 | 142.4 | -178.9 | -97.2 | -66 | 0 | 0 | 0 | 113.6 | ||||
| 177 | V | 29.7 | Very low | 28.9 | Very low | 143 Ų | 143 | 130 Ų | 130 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | trans | -142.7 | 65.3 | 164.5 | -162.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 178 | N | 26.4 | Very low | 28.7 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | 39.7 | 107.4 | 134.7 | -167.1 | 5.9 | 0 | 0 | 0 | 122.4 | ||||
| 179 | S | 27.2 | Very low | 28.1 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | trans | -170.4 | 148 | 143.1 | -103.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 180 | Q | 28.5 | Very low | 28.1 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | cis | -157.6 | 133.8 | 4.3 | -156.9 | 166.5 | 92.6 | 0 | 0 | 112.6 | ||||
| 181 | V | 26.6 | Very low | 28.1 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | 24.6 | 100.5 | 148.3 | -170.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 182 | T | 26.7 | Very low | 27.8 | Very low | 144 Ų | 144 | 124.6 Ų | 124.6 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | 157.7 | 147.2 | 122.8 | 41.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 183 | G | 25.3 | Very low | 27.9 | Very low | 66 Ų | 66 | 128.6 Ų | 128.6 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | cis | -179.2 | 176.2 | -4.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 184 | S | 25.5 | Very low | 27.9 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | 76.5 | 150.2 | 177.8 | -57.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 185 | V | 28.1 | Very low | 28 | Very low | 136 Ų | 136 | 130 Ų | 130 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -162 | 173.4 | -166.2 | -90.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 186 | P | 40.6 | Very low | 28.7 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | cis | -135 | -172.7 | -41.7 | 39.5 | -23 | 0 | 0 | 0 | 112.6 | ||||
| 187 | G | 26.1 | Very low | 28.6 | Very low | 71 Ų | 71 | 126.8 Ų | 126.8 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | 173.3 | 112.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 188 | L | 25.8 | Very low | 28.5 | Very low | 170 Ų | 170 | 124.8 Ų | 124.8 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | 81.8 | 78.3 | 57.3 | -77.2 | 173 | 0 | 0 | 0 | 115.9 | |||||
| 189 | A | 27.2 | Very low | 28.5 | Very low | 88 Ų | 88 | 121.5 Ų | 121.5 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -168.8 | 139.1 | 140.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 190 | H | 28.2 | Very low | 28.4 | Very low | 176 Ų | 176 | 120.9 Ų | 120.9 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | 60.2 | 134.4 | 51.4 | -84.7 | -79.3 | 0 | 0 | 0 | 115.2 | |||||
| 191 | S | 27.3 | Very low | 28.4 | Very low | 80 Ų | 80 | 119.8 Ų | 119.8 | 56% | 0.559 | 78% | 0.78 | S | S | * | * | cis | -165.9 | 175.6 | -34.5 | 48.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 192 | D | 26.5 | Very low | 28.3 | Very low | 116 Ų | 116 | 120.3 Ų | 120.3 | 62% | 0.62 | 78% | 0.779 | S | S | * | * | trans | 70.6 | 116.5 | 162.5 | -57.5 | -64.2 | 0 | 0 | 0 | 117.4 | ||||
| 193 | Q | 29.3 | Very low | 28.4 | Very low | 165 Ų | 165 | 119.7 Ų | 119.7 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | 67.9 | 109.1 | 75.5 | -69.1 | -171.9 | 93.6 | 0 | 0 | 115.2 | |||||
| 194 | T | 26.6 | Very low | 28.4 | Very low | 146 Ų | 146 | 121.9 Ų | 121.9 | 90% | 0.896 | 77% | 0.77 | S | S | * | * | 176.7 | 162.8 | 116 | 30 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 195 | V | 30.5 | Very low | 28.4 | Very low | 130 Ų | 130 | 122.7 Ų | 122.7 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | trans | -138.9 | 136.7 | 178.1 | 172 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 196 | P | 41.1 | Very low | 28.3 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | -149.8 | 118.5 | 129.9 | 32.6 | -13.1 | 0 | 0 | 0 | 116.8 | |||||
| 197 | V | 27.3 | Very low | 27.6 | Very low | 131 Ų | 131 | 124.6 Ų | 124.6 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | 39.6 | 133.8 | 119.1 | -178.7 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 198 | A | 28.2 | Very low | 27.5 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | 69.4 | 148.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 199 | G | 25 | Very low | 27.5 | Very low | 76 Ų | 76 | 128.6 Ų | 128.6 | 78% | 0.784 | 76% | 0.759 | S | S | * | * | cis | -179.5 | -173.5 | -1.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 200 | A | 25.8 | Very low | 27.4 | Very low | 88 Ų | 88 | 130.2 Ų | 130.2 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | -169.7 | -172.2 | -10.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 201 | T | 28.6 | Very low | 27.8 | Very low | 139 Ų | 139 | 127.2 Ų | 127.2 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | 63.9 | 160 | 167.6 | 55.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 202 | D | 24.8 | Very low | 27.6 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | cis | -164.2 | 166.3 | -39.2 | -153.1 | -0.6 | 0 | 0 | 0 | 112 | ||||
| 203 | L | 27.9 | Very low | 27.7 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | 34.9 | 115.3 | 155.9 | -76.8 | 163.5 | 0 | 0 | 0 | 125.3 | ||||
| 204 | T | 25.6 | Very low | 28.1 | Very low | 111 Ų | 111 | 127 Ų | 127 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | 41.4 | 137.2 | 129.6 | 59.8 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 205 | T | 26.3 | Very low | 28.1 | Very low | 145 Ų | 145 | 127 Ų | 127 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | 174 | 171.3 | 112.9 | 31.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 206 | E | 26.1 | Very low | 27.9 | Very low | 180 Ų | 180 | 126.8 Ų | 126.8 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | trans | -83.3 | 176.4 | -175.8 | -49.9 | -177.2 | 81.3 | 0 | 0 | 114.3 | ||||
| 207 | T | 25.1 | Very low | 27.1 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | 176.1 | 146.2 | 75 | -39.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 208 | K | 24.4 | Very low | 27.2 | Very low | 173 Ų | 173 | 125.5 Ų | 125.5 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | 60.3 | 156.3 | 152.9 | -93.4 | 165.8 | 162.6 | -167.6 | 0 | 119.4 | ||||
| 209 | H | 26.3 | Very low | 27.2 | Very low | 153 Ų | 153 | 127.5 Ų | 127.5 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | cis | -155.8 | 165.1 | 28 | -126.3 | -72.5 | 0 | 0 | 0 | 112.3 | ||||
| 210 | T | 23.7 | Very low | 27.2 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | -92.1 | 163.7 | 170.7 | 54 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 211 | P | 36.6 | Very low | 27 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | -158.1 | 151.4 | 94.4 | 39.7 | -19.4 | 0 | 0 | 0 | 120.1 | |||||
| 212 | T | 24.5 | Very low | 26.9 | Very low | 136 Ų | 136 | 129.9 Ų | 129.9 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | trans | 64.5 | 137.8 | 136 | -54 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 213 | S | 28.5 | Very low | 26.9 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -114.9 | 167 | 167.1 | -40.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 214 | P | 37.8 | Very low | 26.8 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | -152.4 | 136.8 | 125.3 | 34.8 | -16.4 | 0 | 0 | 0 | 118.8 | |||||
| 215 | I | 25.2 | Very low | 26.8 | Very low | 145 Ų | 145 | 131.6 Ų | 131.6 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | 45.6 | 146.9 | 128.3 | -34.2 | 177 | 0 | 0 | 0 | 122.1 | |||||
| 216 | T | 26.6 | Very low | 26.7 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | 96.1 | 148.9 | 161.2 | 67.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 217 | D | 25.1 | Very low | 26.7 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | cis | -171 | 145.8 | -44.9 | -115.1 | -49.3 | 0 | 0 | 0 | 111.8 | ||||
| 218 | S | 28.5 | Very low | 26.7 | Very low | 90 Ų | 90 | 131.1 Ų | 131.1 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | trans | 69.5 | 156.9 | 152.9 | 76.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 219 | N | 27.8 | Very low | 26.9 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | trans | 79.9 | 147.3 | 164.7 | -53.3 | -47.6 | 0 | 0 | 0 | 119.8 | ||||
| 220 | V | 25.2 | Very low | 26.9 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | cis | 160.8 | 142.4 | -43.3 | 155.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 221 | C | 23.2 | Very low | 27 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | 74.1 | 109.5 | 164.7 | -83.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 222 | S | 25.8 | Very low | 26.5 | Very low | 122 Ų | 122 | 126 Ų | 126 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | 59 | 124.1 | 111 | -50.9 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 223 | G | 24.4 | Very low | 27.2 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -172.4 | 89.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 224 | I | 26.2 | Very low | 27 | Very low | 160 Ų | 160 | 124.3 Ų | 124.3 | 82% | 0.821 | 77% | 0.771 | S | S | * | * | trans | -58.2 | 160.9 | -177.3 | -19.7 | 176.2 | 0 | 0 | 0 | 115.9 | ||||
| 225 | K | 25.3 | Very low | 26.4 | Very low | 173 Ų | 173 | 124.6 Ų | 124.6 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | 83.4 | 150.6 | 156.1 | -71.7 | -168.5 | 173.9 | -145.9 | 0 | 119.3 | ||||
| 226 | Q | 25.1 | Very low | 26.6 | Very low | 126 Ų | 126 | 124.3 Ų | 124.3 | 59% | 0.589 | 78% | 0.78 | S | S | * | * | cis | -165.6 | 155.4 | -23.3 | -131.1 | 176.9 | -76.4 | 0 | 0 | 109.5 | ||||
| 227 | E | 25.8 | Very low | 26.7 | Very low | 155 Ų | 155 | 127.2 Ų | 127.2 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | trans | 70.6 | 118.9 | 154.3 | -58 | 179.1 | 175.8 | 0 | 0 | 122.6 | ||||
| 228 | D | 25.5 | Very low | 26.8 | Very low | 149 Ų | 149 | 124.4 Ų | 124.4 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | 27.2 | 124.7 | 140.8 | -51.6 | -19.4 | 0 | 0 | 0 | 120.7 | ||||
| 229 | S | 27 | Very low | 26.8 | Very low | 116 Ų | 116 | 126.2 Ų | 126.2 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | 176.4 | 161 | 69.5 | 43.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 230 | A | 27 | Very low | 26.7 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | 48.5 | 113 | 160.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 231 | G | 25.3 | Very low | 27 | Very low | 85 Ų | 85 | 123.7 Ų | 123.7 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | trans | 175.7 | 106.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 232 | T | 25.6 | Very low | 27.2 | Very low | 143 Ų | 143 | 123.3 Ų | 123.3 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -83.6 | 171.9 | 153 | 19.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 233 | P | 39.3 | Very low | 27.3 | Very low | 119 Ų | 119 | 122.9 Ų | 122.9 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | cis | -140.5 | -156.4 | 16.8 | 44 | -23.6 | 0 | 0 | 0 | 115.5 | ||||
| 234 | A | 25.1 | Very low | 27.4 | Very low | 88 Ų | 88 | 125.4 Ų | 125.4 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 75 | 122.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 235 | S | 25.7 | Very low | 27.4 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | cis | 81.8 | 101.8 | 14.4 | -46.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 236 | V | 29 | Very low | 27.4 | Very low | 140 Ų | 140 | 123.6 Ų | 123.6 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -142 | 95.7 | 148.8 | -179.5 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 237 | E | 28.3 | Very low | 27.3 | Very low | 187 Ų | 187 | 125.4 Ų | 125.4 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | 65.8 | 110.4 | 98.9 | -72.7 | -73.4 | 85.8 | 0 | 0 | 114.3 | |||||
| 238 | G | 28.1 | Very low | 27.3 | Very low | 76 Ų | 76 | 125.5 Ų | 125.5 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | -179.8 | 62.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G240 | G238-G240 PolarHBondContact O-N 2.72Š| ||
| 239 | S | 27.4 | Very low | 27.3 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -17.2 | 112 | -174.2 | -160.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 240 | G | 27.1 | Very low | 27.2 | Very low | 61 Ų | 61 | 125.2 Ų | 125.2 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | trans | -126.9 | 139 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | G238 S242 | G238-G240 PolarHBondContact O-N 2.72Å; G240-S242 PolarHBondContact O-N 3.18Å | ||
| 241 | V | 30.4 | Very low | 27.2 | Very low | 150 Ų | 150 | 127.4 Ų | 127.4 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -85.7 | 96.3 | -176.2 | -172.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 242 | S | 27.6 | Very low | 27.2 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -69.4 | 143 | 177 | -64.7 | 0 | 0 | 0 | 0 | 112.8 | G240 | G240-S242 PolarHBondContact O-N 3.18Š| ||
| 243 | P | 28.2 | Very low | 27.2 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -69.7 | 138.4 | 174.2 | 29.4 | -34.5 | 0 | 0 | 0 | 111.6 | I245 | P243-I245 PolarHBondContact O-N 3.39Š| ||
| 244 | V | 27 | Very low | 26.5 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | -74.6 | 107.7 | 176 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | L246 | V244-L246 PolarHBondContact O-N 3.15Š| ||
| 245 | I | 25.5 | Very low | 26.7 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | -76 | 114.9 | 173.8 | -60.1 | 175.8 | 0 | 0 | 0 | 109.1 | P243 Q247 | P243-I245 PolarHBondContact O-N 3.39Å; I245-Q247 PolarHBondContact O-N 3.09Å; I245-Q247 VanDerWaalsContact O-N 3.08Å | ||
| 246 | L | 24.8 | Very low | 26.8 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | -73.4 | 94.7 | 171.4 | -70.8 | 172.5 | 0 | 0 | 0 | 110.4 | V244 I248 | V244-L246 PolarHBondContact O-N 3.15Å; L246-I248 PolarHBondContact O-N 3.38Å | ||
| 247 | Q | 23.4 | Very low | 26.9 | Very low | 165 Ų | 165 | 139 Ų | 139 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | trans | -69.8 | 108.3 | 165.7 | -82.4 | -159.6 | -19.4 | 0 | 0 | 110.5 | I245 | I245-Q247 PolarHBondContact O-N 3.09Å; I245-Q247 VanDerWaalsContact O-N 3.08Å | ||
| 248 | I | 26.7 | Very low | 27 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | trans | -92.9 | 110.3 | 168 | -56.5 | 175.1 | 0 | 0 | 0 | 107.9 | L246 | L246-I248 PolarHBondContact O-N 3.38Š| ||
| 249 | Q | 24.9 | Very low | 27 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -92.7 | 136.1 | 167.3 | -66.5 | -160.1 | 20.2 | 0 | 0 | 110.7 | I251 | Q249-I251 PolarHBondContact O-N 2.81Š| ||
| 250 | P | 24.2 | Very low | 27.4 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | trans | -75.4 | 120.3 | 179.9 | 29.6 | -33.6 | 0 | 0 | 0 | 111.5 | Q252 | P250-Q252 PolarHBondContact O-N 3.35Š| ||
| 251 | I | 27.6 | Very low | 27.5 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | -70.9 | 114.2 | 175.7 | -59 | 175.2 | 0 | 0 | 0 | 109.5 | Q249 I253 | Q249-I251 PolarHBondContact O-N 2.81Å; I251-I253 HydrophobicContact CG2-CG1 4.41Å; I251-I253 PolarHBondContact O-N 3.31Å | ||
| 252 | Q | 24.5 | Very low | 27.5 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | trans | -80.8 | 104.3 | 176.6 | -67.2 | -64.9 | -20 | 0 | 0 | 110.8 | P250 K254 | P250-Q252 PolarHBondContact O-N 3.35Å; Q252-K254 PolarHBondContact O-N 2.87Å | ||
| 253 | I | 26.5 | Very low | 27.7 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | -84.9 | 98.4 | 176.3 | -58.4 | 175.1 | 0 | 0 | 0 | 109.2 | I251 Q255 | I251-I253 HydrophobicContact CG2-CG1 4.41Å; I251-I253 PolarHBondContact O-N 3.31Å; I253-Q255 PolarHBondContact O-N 3.17Å | ||
| 254 | K | 24.9 | Very low | 27.7 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -73.4 | 118.5 | 172.6 | -168.4 | -171.5 | -179.4 | -153.8 | 0 | 109.7 | Q252 E256 | Q252-K254 PolarHBondContact O-N 2.87Å; K254-E256 IonicContact NZ-OE1 3.3Å | ||
| 255 | Q | 29.6 | Very low | 28.1 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -85.9 | 137.3 | 170.6 | -67 | -176.8 | -29.8 | 0 | 0 | 110.1 | I253 | I253-Q255 PolarHBondContact O-N 3.17Š| ||
| 256 | E | 28.1 | Very low | 28.1 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | -105.6 | 142.4 | 165.4 | -61.9 | -150.7 | 138.4 | 0 | 0 | 110.3 | K254 | K254-E256 IonicContact NZ-OE1 3.3Š| ||
| 257 | P | 30.2 | Very low | 28.1 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 139.9 | -174.2 | 32.6 | -34.7 | 0 | 0 | 0 | 112.6 | ||
| 258 | I | 29.5 | Very low | 28.4 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 86% | 0.862 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 123.1 | 167.8 | -56.4 | 174.5 | 0 | 0 | 0 | 108.4 | ||
| 259 | P | 29.8 | Very low | 28.4 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 137.1 | 179.8 | 32.9 | -33.1 | 0 | 0 | 0 | 112.3 | ||
| 260 | G | 33.9 | Very low | 28.5 | Very low | 82 Ų | 82 | 140 Ų | 140 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | 131.8 | 70.3 | 161 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 261 | A | 29.3 | Very low | 28.5 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -146.9 | 140.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 262 | I | 30.8 | Very low | 28.4 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -97.9 | 136.5 | -174.9 | -60.6 | 171.7 | 0 | 0 | 0 | 109.4 | ||||
| 263 | P | 32.5 | Very low | 28.4 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | -83 | 140.6 | -179.4 | 32.7 | -34.9 | 0 | 0 | 0 | 113.3 | ||||
| 264 | T | 28.2 | Very low | 28.2 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | trans | -134.4 | 150.3 | 155.8 | 44.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 265 | P | 35.9 | Very low | 28.5 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | trans | -115.3 | 174.7 | -158.2 | 42 | -33.1 | 0 | 0 | 0 | 115.9 | ||||
| 266 | V | 25.4 | Very low | 28.3 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | 76.2 | 106.9 | 164.7 | -170.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 267 | S | 24.7 | Very low | 28.4 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | -166.4 | 170.9 | 99.4 | -159.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 268 | Q | 30 | Very low | 28.3 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -115.5 | 130.8 | -170.4 | -61.7 | 172.2 | -14.4 | 0 | 0 | 112.6 | ||||
| 269 | Q | 25.8 | Very low | 28.4 | Very low | 191 Ų | 191 | 133.9 Ų | 133.9 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | -178.3 | 161.4 | 127.2 | -105 | -167 | -120.9 | 0 | 0 | 111.3 | |||||
| 270 | P | 27.6 | Very low | 28.5 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | trans | -85.9 | 142.8 | -164.8 | 32.8 | -35.8 | 0 | 0 | 0 | 114.6 | ||||
| 271 | T | 23.9 | Very low | 28.7 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | trans | -117.1 | 158.4 | 156.9 | 47.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 272 | Q | 25.7 | Very low | 28.9 | Very low | 174 Ų | 174 | 135.1 Ų | 135.1 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | -71.4 | 150.4 | -165.4 | -66.5 | -175.9 | -23.3 | 0 | 0 | 113.7 | T274 | Q272-T274 PolarHBondContact O-N 3.4Š| ||
| 273 | P | 23.3 | Very low | 29.1 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 84% | 0.844 | 75% | 0.747 | S | S | * | * | trans | -72 | 95 | 172 | 30.5 | -34.3 | 0 | 0 | 0 | 110.9 | S275 | P273-S275 PolarHBondContact O-N 2.95Š| ||
| 274 | T | 24.3 | Very low | 29.3 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | trans | -67.9 | 114.6 | 160.8 | 47.2 | 0 | 0 | 0 | 0 | 109 | Q272 D276 | Q272-T274 PolarHBondContact O-N 3.4Å; T274-D276 PolarHBondContact O-N 3.19Å | ||
| 275 | S | 29.8 | Very low | 29.4 | Very low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | trans | -78.7 | 106.4 | 177.6 | 40.5 | 0 | 0 | 0 | 0 | 111.2 | P273 I277 | P273-S275 PolarHBondContact O-N 2.95Å; S275-I277 PolarHBondContact O-N 2.99Å | ||
| 276 | D | 26.5 | Very low | 29.4 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 78% | 0.781 | 70% | 0.703 | S | S | * | * | trans | -66.2 | 90.9 | 176.4 | -76.2 | -39.6 | 0 | 0 | 0 | 111.9 | T274 K278 | T274-D276 PolarHBondContact O-N 3.19Å; D276-K278 PolarHBondContact O-N 2.9Å | ||
| 277 | I | 29.7 | Very low | 29.6 | Very low | 142 Ų | 142 | 130.5 Ų | 130.5 | 73% | 0.728 | 71% | 0.709 | S | S | * | * | trans | -70.7 | 97.5 | 171.2 | -58.3 | 177.7 | 0 | 0 | 0 | 108.6 | S275 I279 | S275-I277 PolarHBondContact O-N 2.99Å; I277-I279 HydrophobicContact CG2-CG1 4.39Å; I277-I279 PolarHBondContact O-N 2.8Å | ||
| 278 | K | 26.9 | Very low | 30.2 | Very low | 197 Ų | 197 | 128 Ų | 128 | 86% | 0.857 | 70% | 0.702 | S | S | * | * | trans | -66.7 | 94.2 | 171.1 | -68.5 | 179.8 | -179 | 175 | 0 | 110 | D276 A280 | D276-K278 PolarHBondContact O-N 2.9Å; K278-A280 PolarHBondContact O-N 3.38Å | ||
| 279 | I | 31.7 | Very low | 30.3 | Very low | 87 Ų | 87 | 125.5 Ų | 125.5 | 45% | 0.446 | 69% | 0.691 | S | S | . | * | trans | -68 | 111.6 | 176.2 | -59.6 | 175.8 | 0 | 0 | 0 | 109.2 | I277 Q281 P295 | I277-I279 HydrophobicContact CG2-CG1 4.39Å; I277-I279 PolarHBondContact O-N 2.8Å; I279-Q281 PolarHBondContact O-N 3.22Å; I279-P295 HydrophobicContact CG2-CG 3.87Å | ||
| 280 | A | 32.9 | Very low | 30.7 | Very low | 82 Ų | 82 | 119.6 Ų | 119.6 | 68% | 0.678 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 126.4 | 170 | 0 | 0 | 0 | 0 | 0 | 110.1 | K278 L282 | K278-A280 PolarHBondContact O-N 3.38Å; A280-L282 PolarHBondContact O-N 2.87Å |
| 281 | Q | 37 | Very low | 31 | Very low | 130 Ų | 130 | 116.7 Ų | 116.7 | 61% | 0.607 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 118.7 | 173.7 | -69.5 | 178.7 | -11.6 | 0 | 0 | 109.5 | I279 | I279-Q281 PolarHBondContact O-N 3.22Š|
| 282 | L | 34.8 | Very low | 31.6 | Very low | 121 Ų | 121 | 111.2 Ų | 111.2 | 63% | 0.634 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.2 | 125.5 | 165.1 | -83.7 | 100.9 | 0 | 0 | 0 | 109.7 | A280 L293 | A280-L282 PolarHBondContact O-N 2.87Å; L282-L293 HydrophobicContact CB-CD1 4.38Å; L282-L293 PolarHBondContact O-N 3.48Å |
| 283 | L | 35.7 | Very low | 32.1 | Very low | 105 Ų | 105 | 105.8 Ų | 105.8 | 55% | 0.55 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.8 | 121.7 | 168.7 | -69.1 | 163.2 | 0 | 0 | 0 | 107.8 | T290 F291 A292 I318 | L283-T290 HydrophobicContact CB-CG2 3.92Å; L283-T290 HydrophobicContact CD2-CG2 3.82Å; L283-T290 HydrophobicContact CG-CG2 4.35Å; L283-F291 WeakPolarHBondContact CA-O 3.16Å; L283-A292 HydrophobicContact CD2-CB 3.83Å; L283-I318 HydrophobicContact CD2-CD1 4.37Å |
| 284 | V | 35.3 | Very low | 32.7 | Very low | 58 Ų | 58 | 103.4 Ų | 103.4 | 35% | 0.352 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.5 | 124.6 | 177 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | I286 F291 L293 | V284-I286 HydrophobicContact CG1-CD1 4.27Å; V284-I286 HydrophobicContact CG1-CG1 3.97Å; V284-F291 PolarHBondContact N-O 3Å; V284-F291 PolarHBondContact O-N 3.21Å; V284-L293 HydrophobicContact CG2-CD1 3.82Å; V284-L293 HydrophobicContact CG2-CG 4.45Å |
| 285 | N | 31 | Very low | 33.4 | Very low | 104 Ų | 104 | 100.6 Ų | 100.6 | 56% | 0.556 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 123.1 | 175.3 | -174.4 | -15.4 | 0 | 0 | 0 | 109.4 | G288 Q289 | N285-G288 VanDerWaalsContact OD1-CA 3.26Å; N285-G288 WeakPolarHBondContact OD1-CA 3.25Å; N285-G288 PolarHBondContact OD1-N 3.02Å; N285-G288 VanDerWaalsContact OD1-N 3.13Å; N285-Q289 WeakPolarHBondContact CA-O 3.31Å; N285-Q289 PolarHBondContact OD1-N 3.05Å; N285-Q289 PolarHBondContact OD1-O 3.07Å |
| 286 | I | 35.2 | Very low | 33.4 | Very low | 99 Ų | 99 | 103 Ų | 103 | 51% | 0.508 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.9 | 123.6 | 175.6 | -51.8 | 179.9 | 0 | 0 | 0 | 107.3 | V284 G288 Q289 F291 | V284-I286 HydrophobicContact CG1-CD1 4.27Å; V284-I286 HydrophobicContact CG1-CG1 3.97Å; I286-G288 PolarHBondContact O-N 3.09Å; I286-G288 VanDerWaalsContact O-N 3.12Å; I286-Q289 PolarHBondContact N-O 3.09Å; I286-Q289 PolarHBondContact O-N 3.12Å; I286-F291 HydrophobicContact CB-CD2 4.48Å; I286-F291 HydrophobicContact CB-CE2 4.19Å |
| 287 | Q | 30 | Very low | 33.7 | Very low | 202 Ų | 202 | 103.1 Ų | 103.1 | 94% | 0.944 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.6 | 33.2 | 179.7 | -64.8 | 178.3 | -13.6 | 0 | 0 | 114.4 | Q289 | Q287-Q289 VanDerWaalsContact C-N 3.35Š|
| 288 | G | 36.9 | Very low | 33.7 | Very low | 65 Ų | 65 | 104.9 Ų | 104.9 | 67% | 0.67 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.8 | 1.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N285 I286 | N285-G288 VanDerWaalsContact OD1-CA 3.26Å; N285-G288 WeakPolarHBondContact OD1-CA 3.25Å; N285-G288 PolarHBondContact OD1-N 3.02Å; N285-G288 VanDerWaalsContact OD1-N 3.13Å; I286-G288 PolarHBondContact O-N 3.09Å; I286-G288 VanDerWaalsContact O-N 3.12Å |
| 289 | Q | 31.8 | Very low | 33.8 | Very low | 126 Ų | 126 | 100.6 Ų | 100.6 | 59% | 0.589 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.7 | 131.7 | 171.3 | -66.4 | -169.3 | 1.5 | 0 | 0 | 111 | N285 I286 Q287 F291 | N285-Q289 WeakPolarHBondContact CA-O 3.31Å; N285-Q289 PolarHBondContact OD1-N 3.05Å; N285-Q289 PolarHBondContact OD1-O 3.07Å; I286-Q289 PolarHBondContact N-O 3.09Å; I286-Q289 PolarHBondContact O-N 3.12Å; Q287-Q289 VanDerWaalsContact C-N 3.35Å; Q289-F291 HydrophobicContact CB-CE2 3.66Å; Q289-F291 HydrophobicContact CB-CZ 3.72Å; Q289-F291 VanDerWaalsContact O-CD2 3.32Å; Q289-F291 WeakPolarHBondContact O-CD2 3.42Å; Q289-F291 VanDerWaalsContact O-CE2 3.3Å; Q289-F291 WeakPolarHBondContact O-CE2 3.47Å |
| 290 | T | 33.9 | Very low | 33.9 | Very low | 67 Ų | 67 | 102.5 Ų | 102.5 | 41% | 0.411 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.2 | 119 | -179.7 | -50.5 | 0 | 0 | 0 | 0 | 110.6 | L283 I318 | L283-T290 HydrophobicContact CB-CG2 3.92Å; L283-T290 HydrophobicContact CD2-CG2 3.82Å; L283-T290 HydrophobicContact CG-CG2 4.35Å; T290-I318 WeakPolarHBondContact O-CD1 3.3Å |
| 291 | F | 35.7 | Very low | 33.8 | Very low | 53 Ų | 53 | 102.4 Ų | 102.4 | 23% | 0.232 | 57% | 0.574 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.5 | 130.6 | 179.3 | -59 | -85.2 | 0 | 0 | 0 | 110.6 | L283 V284 I286 Q289 | L283-F291 WeakPolarHBondContact CA-O 3.16Å; V284-F291 PolarHBondContact N-O 3Å; V284-F291 PolarHBondContact O-N 3.21Å; I286-F291 HydrophobicContact CB-CD2 4.48Å; I286-F291 HydrophobicContact CB-CE2 4.19Å; Q289-F291 HydrophobicContact CB-CE2 3.66Å; Q289-F291 HydrophobicContact CB-CZ 3.72Å; Q289-F291 VanDerWaalsContact O-CD2 3.32Å; Q289-F291 WeakPolarHBondContact O-CD2 3.42Å; Q289-F291 VanDerWaalsContact O-CE2 3.3Å; Q289-F291 WeakPolarHBondContact O-CE2 3.47Å |
| 292 | A | 34.8 | Very low | 33.7 | Very low | 24 Ų | 24 | 103 Ų | 103 | 20% | 0.198 | 58% | 0.581 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.1 | 120.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | L283 V294 I318 | L283-A292 HydrophobicContact CD2-CB 3.83Å; A292-V294 PolarHBondContact O-N 3.18Å; A292-I318 HydrophobicContact CB-CD1 4.09Å |
| 293 | L | 37.8 | Very low | 33.6 | Very low | 60 Ų | 60 | 104.7 Ų | 104.7 | 31% | 0.314 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.7 | 106.6 | 174.4 | -63.9 | 176.6 | 0 | 0 | 0 | 110 | L282 V284 I313 | L282-L293 HydrophobicContact CB-CD1 4.38Å; L282-L293 PolarHBondContact O-N 3.48Å; V284-L293 HydrophobicContact CG2-CD1 3.82Å; V284-L293 HydrophobicContact CG2-CG 4.45Å; L293-I313 HydrophobicContact CD2-CD1 4.23Å; L293-I313 HydrophobicContact CD2-CG1 4.41Å; L293-I313 HydrophobicContact CD2-CG2 3.55Å |
| 294 | V | 35.6 | Very low | 33.3 | Very low | 80 Ų | 80 | 105.5 Ų | 105.5 | 49% | 0.485 | 60% | 0.595 | S | S | . | * | trans | -107.1 | 113.5 | 176.6 | -177.5 | 0 | 0 | 0 | 0 | 110 | A292 Q296 | A292-V294 PolarHBondContact O-N 3.18Å; V294-Q296 PolarHBondContact O-N 3.28Å | ||
| 295 | P | 37.7 | Very low | 33.5 | Very low | 60 Ų | 60 | 105.5 Ų | 105.5 | 39% | 0.39 | 61% | 0.607 | S | S | . | * | trans | -68.8 | 110.1 | 175 | -19.3 | 32.9 | 0 | 0 | 0 | 111.7 | I279 L297 | I279-P295 HydrophobicContact CG2-CG 3.87Å; P295-L297 PolarHBondContact O-N 3.19Å | ||
| 296 | Q | 31.2 | Very low | 33.7 | Very low | 156 Ų | 156 | 107.9 Ų | 107.9 | 73% | 0.729 | 63% | 0.625 | S | S | * | * | trans | -80.6 | 109.7 | 172.4 | -72.3 | -71 | 1.5 | 0 | 0 | 110.5 | V294 | V294-Q296 PolarHBondContact O-N 3.28Š| ||
| 297 | L | 33.2 | Very low | 33.3 | Very low | 148 Ų | 148 | 107.9 Ų | 107.9 | 78% | 0.775 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 119.9 | 172.1 | -72.6 | 170.3 | 0 | 0 | 0 | 109.9 | P295 | P295-L297 PolarHBondContact O-N 3.19Š|
| 298 | M | 27.8 | Very low | 33.3 | Very low | 179 Ų | 179 | 102.4 Ų | 102.4 | 88% | 0.882 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 135.4 | 172.4 | -55.2 | -142.4 | 80 | 0 | 0 | 110.6 | ||
| 299 | S | 28.9 | Very low | 33.1 | Very low | 107 Ų | 107 | 108.9 Ų | 108.9 | 75% | 0.748 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 142.7 | -174.5 | -58.8 | 0 | 0 | 0 | 0 | 113.5 | A301 | S299-A301 VanDerWaalsContact C-N 3.34Å; S299-A301 PolarHBondContact O-N 3.48Å |
| 300 | P | 35.5 | Very low | 32.9 | Very low | 126 Ų | 126 | 110.9 Ų | 110.9 | 82% | 0.818 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -81.3 | 71.2 | -172 | 34.2 | -37.3 | 0 | 0 | 0 | 112.6 | ||
| 301 | A | 30.6 | Very low | 32.6 | Very low | 80 Ų | 80 | 112.7 Ų | 112.7 | 66% | 0.661 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -117.9 | 1.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | S299 | S299-A301 VanDerWaalsContact C-N 3.34Å; S299-A301 PolarHBondContact O-N 3.48Å |
| 302 | N | 33.7 | Very low | 32.4 | Very low | 142 Ų | 142 | 121.3 Ų | 121.3 | 76% | 0.759 | 68% | 0.677 | S | S | * | * | trans | -169.5 | 91.6 | 157.7 | -118.6 | -80.5 | 0 | 0 | 0 | 111.8 | ||||
| 303 | L | 34.1 | Very low | 32.1 | Very low | 158 Ų | 158 | 125.6 Ų | 125.6 | 83% | 0.827 | 70% | 0.695 | S | S | * | * | trans | -129.8 | 67.7 | 175.1 | -72 | 177.5 | 0 | 0 | 0 | 111.8 | G305 | L303-G305 PolarHBondContact O-N 3.2Å; L303-G305 VanDerWaalsContact O-N 3.09Å | ||
| 304 | N | 28.6 | Very low | 31.7 | Very low | 121 Ų | 121 | 126 Ų | 126 | 65% | 0.647 | 71% | 0.708 | S | S | * | * | trans | -71 | 93.8 | 165.8 | -93.5 | -62.6 | 0 | 0 | 0 | 110.6 | R440 | N304-R440 PolarHBondContact OD1-NH2 2.81Š| ||
| 305 | G | 38.8 | Very low | 31.7 | Very low | 58 Ų | 58 | 127 Ų | 127 | 60% | 0.598 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 68.1 | 128.6 | 154.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | L303 | L303-G305 PolarHBondContact O-N 3.2Å; L303-G305 VanDerWaalsContact O-N 3.09Å |
| 306 | T | 36.3 | Very low | 31.4 | Very low | 154 Ų | 154 | 128.8 Ų | 128.8 | 95% | 0.945 | 73% | 0.725 | S | S | * | * | trans | 52.9 | 75.1 | 164.4 | 50.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 307 | S | 26.9 | Very low | 31.6 | Very low | 99 Ų | 99 | 126 Ų | 126 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | trans | -139 | 145.7 | 152.7 | -172.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 308 | S | 30.7 | Very low | 31.7 | Very low | 88 Ų | 88 | 123.9 Ų | 123.9 | 62% | 0.615 | 71% | 0.709 | S | S | * | * | trans | -72.7 | 146.1 | 174.6 | -157.7 | 0 | 0 | 0 | 0 | 110 | F310 | S308-F310 VanDerWaalsContact C-N 3.3Å; S308-F310 VanDerWaalsContact O-CD2 3.25Å; S308-F310 WeakPolarHBondContact O-CD2 3.44Å; S308-F310 PolarHBondContact O-N 2.89Å | ||
| 309 | K | 31.7 | Very low | 32.1 | Very low | 200 Ų | 200 | 119.6 Ų | 119.6 | 87% | 0.87 | 70% | 0.702 | S | S | * | * | trans | -74.4 | 81.3 | 178.1 | -69.5 | -176.3 | -179.4 | 178.8 | 0 | 110.3 | V311 | K309-V311 PolarHBondContact O-N 3.23Å; K309-V311 VanDerWaalsContact O-N 3.07Å | ||
| 310 | F | 27.1 | Very low | 32.3 | Very low | 169 Ų | 169 | 119.1 Ų | 119.1 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | trans | -70.1 | 100.5 | 174.1 | -69 | -78 | 0 | 0 | 0 | 110.9 | S308 R312 | S308-F310 VanDerWaalsContact C-N 3.3Å; S308-F310 VanDerWaalsContact O-CD2 3.25Å; S308-F310 WeakPolarHBondContact O-CD2 3.44Å; S308-F310 PolarHBondContact O-N 2.89Å; F310-R312 PolarHBondContact O-N 2.92Å; F310-R312 VanDerWaalsContact O-N 3.17Å | ||
| 311 | V | 29.1 | Very low | 32.1 | Very low | 105 Ų | 105 | 122.6 Ų | 122.6 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | trans | -67 | 110.2 | 167.4 | -179 | 0 | 0 | 0 | 0 | 108.2 | K309 I313 | K309-V311 PolarHBondContact O-N 3.23Å; K309-V311 VanDerWaalsContact O-N 3.07Å; V311-I313 HydrophobicContact CG1-CG1 4.13Å; V311-I313 PolarHBondContact O-N 3.47Å; V311-I313 VanDerWaalsContact O-N 3.09Å | ||
| 312 | R | 29.6 | Very low | 32.3 | Very low | 233 Ų | 233 | 124.5 Ų | 124.5 | 88% | 0.879 | 71% | 0.712 | S | S | * | * | trans | -75.9 | 93.8 | 169.8 | -80.2 | -171.5 | 170 | -171 | -2.6 | 109.5 | F310 A314 | F310-R312 PolarHBondContact O-N 2.92Å; F310-R312 VanDerWaalsContact O-N 3.17Å; R312-A314 PolarHBondContact O-N 3.49Å | ||
| 313 | I | 29.6 | Very low | 32.2 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 59% | 0.59 | 72% | 0.719 | S | S | * | * | trans | -71.4 | 107.2 | 166.1 | -59.8 | 174.5 | 0 | 0 | 0 | 107.6 | L293 V311 | L293-I313 HydrophobicContact CD2-CD1 4.23Å; L293-I313 HydrophobicContact CD2-CG1 4.41Å; L293-I313 HydrophobicContact CD2-CG2 3.55Å; V311-I313 HydrophobicContact CG1-CG1 4.13Å; V311-I313 PolarHBondContact O-N 3.47Å; V311-I313 VanDerWaalsContact O-N 3.09Å | ||
| 314 | A | 29.5 | Very low | 32.1 | Very low | 69 Ų | 69 | 121.6 Ų | 121.6 | 57% | 0.57 | 71% | 0.712 | S | S | * | * | trans | -95.9 | 122.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | R312 V316 | R312-A314 PolarHBondContact O-N 3.49Å; A314-V316 PolarHBondContact O-N 3.47Å | ||
| 315 | P | 34.3 | Very low | 32.6 | Very low | 100 Ų | 100 | 122.3 Ų | 122.3 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | trans | -69.6 | 102.1 | 173.3 | 28.3 | -32.4 | 0 | 0 | 0 | 108.9 | P317 | P315-P317 VanDerWaalsContact O-CD 3.3Å; P315-P317 WeakPolarHBondContact O-CD 3.3Å | ||
| 316 | V | 32.5 | Very low | 32.4 | Very low | 97 Ų | 97 | 123.2 Ų | 123.2 | 59% | 0.588 | 73% | 0.733 | S | S | * | * | trans | -85.6 | 110.8 | 169 | -178.6 | 0 | 0 | 0 | 0 | 107.1 | A314 I318 | A314-V316 PolarHBondContact O-N 3.47Å; V316-I318 PolarHBondContact O-N 2.86Å | ||
| 317 | P | 35.4 | Very low | 32.4 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | trans | -64.3 | 125.5 | 171.4 | 27.3 | -32.7 | 0 | 0 | 0 | 108.4 | P315 A319 | P315-P317 VanDerWaalsContact O-CD 3.3Å; P315-P317 WeakPolarHBondContact O-CD 3.3Å; P317-A319 PolarHBondContact O-N 3.01Å | ||
| 318 | I | 35.1 | Very low | 32.6 | Very low | 102 Ų | 102 | 124.7 Ų | 124.7 | 52% | 0.523 | 74% | 0.74 | S | S | . | * | trans | -71.3 | 96.4 | 175.8 | -54.7 | 178.8 | 0 | 0 | 0 | 107.2 | L283 T290 A292 V316 A320 | L283-I318 HydrophobicContact CD2-CD1 4.37Å; T290-I318 WeakPolarHBondContact O-CD1 3.3Å; A292-I318 HydrophobicContact CB-CD1 4.09Å; V316-I318 PolarHBondContact O-N 2.86Å; I318-A320 PolarHBondContact O-N 2.77Å; I318-A320 VanDerWaalsContact O-N 3.11Å | ||
| 319 | A | 36.1 | Very low | 32.6 | Very low | 90 Ų | 90 | 124.3 Ų | 124.3 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 116.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | P317 K321 | P317-A319 PolarHBondContact O-N 3.01Å; A319-K321 PolarHBondContact O-N 3.28Å |
| 320 | A | 32.9 | Very low | 32.5 | Very low | 96 Ų | 96 | 123.4 Ų | 123.4 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 124.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | I318 | I318-A320 PolarHBondContact O-N 2.77Å; I318-A320 VanDerWaalsContact O-N 3.11Å |
| 321 | K | 31.1 | Very low | 32.7 | Very low | 199 Ų | 199 | 120.1 Ų | 120.1 | 87% | 0.865 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 125.9 | -175.6 | -132.2 | 169.5 | -174.9 | 174.5 | 0 | 108.9 | A319 L323 | A319-K321 PolarHBondContact O-N 3.28Å; K321-L323 PolarHBondContact O-N 3Å |
| 322 | P | 34.6 | Very low | 32.9 | Very low | 120 Ų | 120 | 119.2 Ų | 119.2 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 139.3 | 172.6 | 27.1 | -33.4 | 0 | 0 | 0 | 109.3 | ||
| 323 | L | 32.3 | Very low | 32.9 | Very low | 172 Ų | 172 | 111.7 Ų | 111.7 | 90% | 0.901 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 165.4 | 167.2 | -77 | 164.2 | 0 | 0 | 0 | 110.2 | K321 | K321-L323 PolarHBondContact O-N 3Š|
| 324 | G | 32.6 | Very low | 33 | Very low | 67 Ų | 67 | 115.4 Ų | 115.4 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 172.6 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 325 | P | 39.3 | Very low | 33.4 | Very low | 136 Ų | 136 | 117.3 Ų | 117.3 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 137.5 | -169.3 | 29.7 | -35.7 | 0 | 0 | 0 | 113.2 | ||
| 326 | G | 33.4 | Very low | 33.2 | Very low | 77 Ų | 77 | 116.9 Ų | 116.9 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -120.2 | 126 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 327 | E | 36.7 | Very low | 33.4 | Very low | 203 Ų | 203 | 115.8 Ų | 115.8 | 95% | 0.949 | 81% | 0.809 | S | S | * | * | trans | -83.7 | 140 | -177 | -59.2 | -176.3 | 123.7 | 0 | 0 | 111.6 | ||||
| 328 | G | 31.6 | Very low | 33.2 | Very low | 81 Ų | 81 | 118.4 Ų | 118.4 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | 158.2 | 135.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 329 | G | 29.9 | Very low | 33.2 | Very low | 80 Ų | 80 | 121.8 Ų | 121.8 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | 97.9 | 94.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 330 | L | 30.3 | Very low | 33.2 | Very low | 181 Ų | 181 | 123.2 Ų | 123.2 | 95% | 0.948 | 83% | 0.833 | S | S | * | * | trans | -51.2 | 135.1 | 154 | -68.2 | 148.5 | 0 | 0 | 0 | 112.2 | ||||
| 331 | A | 30.3 | Very low | 33.1 | Very low | 101 Ų | 101 | 121.4 Ų | 121.4 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | 170.2 | 152.2 | 129.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 332 | G | 34.1 | Very low | 33.3 | Very low | 86 Ų | 86 | 115.7 Ų | 115.7 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | trans | -83.5 | 142.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 333 | G | 29.9 | Very low | 33.4 | Very low | 75 Ų | 75 | 117.2 Ų | 117.2 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -149 | 135.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 334 | Q | 30.4 | Very low | 33.3 | Very low | 192 Ų | 192 | 118.4 Ų | 118.4 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | trans | -47.6 | 150.2 | -170.7 | -66.3 | 148.8 | -46.9 | 0 | 0 | 115.9 | A336 | Q334-A336 VanDerWaalsContact C-N 3.35Å; Q334-A336 PolarHBondContact O-N 3.18Å | ||
| 335 | A | 38.7 | Very low | 33.3 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | -67.1 | 89.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111 | G337 | A335-G337 PolarHBondContact O-N 3.47Š| ||
| 336 | A | 31.1 | Very low | 33.5 | Very low | 91 Ų | 91 | 124.9 Ų | 124.9 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | -70.5 | 106.3 | 170 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q334 I338 | Q334-A336 VanDerWaalsContact C-N 3.35Å; Q334-A336 PolarHBondContact O-N 3.18Å; A336-I338 PolarHBondContact O-N 2.84Å | ||
| 337 | G | 35.3 | Very low | 33.8 | Very low | 74 Ų | 74 | 130.9 Ų | 130.9 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | -70.1 | 109.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A335 L339 | A335-G337 PolarHBondContact O-N 3.47Å; G337-L339 PolarHBondContact O-N 2.88Å; G337-L339 VanDerWaalsContact O-N 3.09Å | ||
| 338 | I | 31 | Very low | 34 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -76.6 | 95.6 | 165.8 | -53.2 | -178.7 | 0 | 0 | 0 | 108 | A336 V340 | A336-I338 PolarHBondContact O-N 2.84Å; I338-V340 HydrophobicContact CG2-CG2 3.77Å; I338-V340 PolarHBondContact O-N 3Å | ||
| 339 | L | 36.5 | Very low | 34.7 | Very low | 173 Ų | 173 | 124.1 Ų | 124.1 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | trans | -69.1 | 75.8 | 166 | -94.7 | 163.7 | 0 | 0 | 0 | 109.8 | G337 G341 | G337-L339 PolarHBondContact O-N 2.88Å; G337-L339 VanDerWaalsContact O-N 3.09Å; L339-G341 PolarHBondContact O-N 3.43Å; L339-G341 VanDerWaalsContact O-N 3.15Å | ||
| 340 | V | 36 | Very low | 35.6 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -61.2 | 116.7 | 161.3 | -176.8 | 0 | 0 | 0 | 0 | 106.5 | I338 G342 | I338-V340 HydrophobicContact CG2-CG2 3.77Å; I338-V340 PolarHBondContact O-N 3Å; V340-G342 PolarHBondContact O-N 2.94Å | ||
| 341 | G | 30.1 | Very low | 36.6 | Very low | 57 Ų | 57 | 119.9 Ų | 119.9 | 59% | 0.588 | 75% | 0.752 | S | S | * | * | trans | -52.7 | 133.4 | -171 | 0 | 0 | 0 | 0 | 0 | 111.9 | L339 Q343 | L339-G341 PolarHBondContact O-N 3.43Å; L339-G341 VanDerWaalsContact O-N 3.15Å; G341-Q343 PolarHBondContact O-N 3.47Å | ||
| 342 | G | 35.6 | Very low | 37.4 | Very low | 79 Ų | 79 | 120.9 Ų | 120.9 | 81% | 0.814 | 74% | 0.744 | S | S | * | * | trans | -68.6 | 70.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V340 K344 | V340-G342 PolarHBondContact O-N 2.94Å; G342-K344 VanDerWaalsContact C-N 3.32Å; G342-K344 PolarHBondContact O-N 3.35Å | ||
| 343 | Q | 35.7 | Very low | 38.6 | Very low | 153 Ų | 153 | 123.4 Ų | 123.4 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | trans | -61.4 | 98.3 | 162.5 | -68.7 | -166.8 | 25.9 | 0 | 0 | 107.7 | G341 F345 | G341-Q343 PolarHBondContact O-N 3.47Å; Q343-F345 HydrophobicContact CB-CD2 4.45Å; Q343-F345 HydrophobicContact CB-CE2 4.21Å; Q343-F345 WeakPolarHBondContact O-CD2 3.29Å; Q343-F345 PolarHBondContact O-N 3.06Å | ||
| 344 | K | 30.7 | Very low | 40.5 | Very low | 196 Ų | 196 | 123.3 Ų | 123.3 | 85% | 0.852 | 72% | 0.717 | S | S | * | * | trans | -65 | 89.8 | 164.8 | -68.7 | 178.9 | -178.3 | 175.6 | 0 | 107 | G342 Q346 | G342-K344 VanDerWaalsContact C-N 3.32Å; G342-K344 PolarHBondContact O-N 3.35Å; K344-Q346 VanDerWaalsContact C-N 3.27Å; K344-Q346 PolarHBondContact O-N 3.49Å | ||
| 345 | F | 33.5 | Very low | 42.7 | Very low | 175 Ų | 175 | 121.9 Ų | 121.9 | 77% | 0.768 | 71% | 0.708 | S | S | * | * | trans | -55.8 | 100.7 | 160.5 | -75.5 | -87 | 0 | 0 | 0 | 106.9 | Q343 K347 | Q343-F345 HydrophobicContact CB-CD2 4.45Å; Q343-F345 HydrophobicContact CB-CE2 4.21Å; Q343-F345 WeakPolarHBondContact O-CD2 3.29Å; Q343-F345 PolarHBondContact O-N 3.06Å; F345-K347 PolarHBondContact O-N 3.11Å | ||
| 346 | Q | 42.4 | Very low | 44.9 | Very low | 165 Ų | 165 | 120.8 Ų | 120.8 | 77% | 0.771 | 69% | 0.685 | S | S | * | * | trans | -50.7 | 134.7 | 161.2 | -73.3 | -71.8 | 4.7 | 0 | 0 | 106.4 | K344 S348 | K344-Q346 VanDerWaalsContact C-N 3.27Å; K344-Q346 PolarHBondContact O-N 3.49Å; Q346-S348 PolarHBondContact O-N 3.24Å | ||
| 347 | K | 39.2 | Very low | 47.6 | Very low | 202 Ų | 202 | 118.6 Ų | 118.6 | 88% | 0.878 | 66% | 0.659 | S | S | * | * | trans | -71.5 | 80.7 | 168 | -67.5 | 179.3 | -177.5 | 175.7 | 0 | 106.8 | F345 S349 | F345-K347 PolarHBondContact O-N 3.11Å; K347-S349 PolarHBondContact O-N 3.36Å | ||
| 348 | S | 41.6 | Very low | 50.1 | Low | 85 Ų | 85 | 121.7 Ų | 121.7 | 59% | 0.594 | 65% | 0.652 | S | S | * | * | trans | -52.4 | 117.1 | 163.4 | 41.4 | 0 | 0 | 0 | 0 | 106.4 | Q346 | Q346-S348 PolarHBondContact O-N 3.24Š| ||
| 349 | S | 47.5 | Very low | 53 | Low | 58 Ų | 58 | 114.5 Ų | 114.5 | 41% | 0.406 | 62% | 0.615 | S | S | . | * | trans | -65.2 | 144.3 | 178.5 | -172.7 | 0 | 0 | 0 | 0 | 107.4 | K347 A351 D352 | K347-S349 PolarHBondContact O-N 3.36Å; S349-A351 PolarHBondContact O-N 3.38Å; S349-A351 VanDerWaalsContact O-N 3.1Å; S349-A351 WeakPolarHBondContact OG-CB 3.45Å; S349-A351 PolarHBondContact OG-N 2.84Å; S349-D352 VanDerWaalsContact CB-OD2 3.29Å; S349-D352 WeakPolarHBondContact CB-OD2 3.46Å; S349-D352 PolarHBondContact N-OD2 3.49Å; S349-D352 WeakPolarHBondContact O-CB 3.5Å; S349-D352 PolarHBondContact O-N 2.95Å | ||
| 350 | V | 47 | Very low | 55.5 | Low | 109 Ų | 109 | 112.1 Ų | 112.1 | 66% | 0.661 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -57.8 | -25.1 | 167.8 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | D352 L353 I354 | V350-D352 VanDerWaalsContact C-N 3.33Å; V350-D352 PolarHBondContact O-N 2.96Å; V350-L353 PolarHBondContact O-N 3.11Å; V350-I354 HydrophobicContact CG1-CD1 4.13Å; V350-I354 VanDerWaalsContact O-CG1 3.31Å; V350-I354 WeakPolarHBondContact O-CG1 3.41Å; V350-I354 PolarHBondContact O-N 3.43Å |
| 351 | A | 51.9 | Low | 58 | Low | 62 Ų | 62 | 110.9 Ų | 110.9 | 51% | 0.512 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.7 | -30.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S349 L353 I354 | S349-A351 PolarHBondContact O-N 3.38Å; S349-A351 VanDerWaalsContact O-N 3.1Å; S349-A351 WeakPolarHBondContact OG-CB 3.45Å; S349-A351 PolarHBondContact OG-N 2.84Å; A351-L353 VanDerWaalsContact C-N 3.27Å; A351-L353 PolarHBondContact O-N 3.09Å; A351-I354 PolarHBondContact O-N 2.86Å |
| 352 | D | 48.5 | Very low | 60.8 | Low | 122 Ų | 122 | 113.2 Ų | 113.2 | 65% | 0.652 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.8 | -20.9 | -177.5 | -52.4 | -31.2 | 0 | 0 | 0 | 111.8 | S349 V350 | S349-D352 VanDerWaalsContact CB-OD2 3.29Å; S349-D352 WeakPolarHBondContact CB-OD2 3.46Å; S349-D352 PolarHBondContact N-OD2 3.49Å; S349-D352 WeakPolarHBondContact O-CB 3.5Å; S349-D352 PolarHBondContact O-N 2.95Å; V350-D352 VanDerWaalsContact C-N 3.33Å; V350-D352 PolarHBondContact O-N 2.96Å |
| 353 | L | 57.3 | Low | 63.2 | Low | 140 Ų | 140 | 113.9 Ų | 113.9 | 73% | 0.733 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -93 | -18 | 176.9 | -69.3 | 169.7 | 0 | 0 | 0 | 113.4 | V350 A351 K355 | V350-L353 PolarHBondContact O-N 3.11Å; A351-L353 VanDerWaalsContact C-N 3.27Å; A351-L353 PolarHBondContact O-N 3.09Å; L353-K355 PolarHBondContact O-N 3.29Å |
| 354 | I | 70.3 | Confident | 65.8 | Low | 73 Ų | 73 | 107.4 Ų | 107.4 | 37% | 0.374 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -88.2 | 104.7 | 178.6 | -56.3 | 161.5 | 0 | 0 | 0 | 109.1 | V350 A351 M356 T369 | V350-I354 HydrophobicContact CG1-CD1 4.13Å; V350-I354 VanDerWaalsContact O-CG1 3.31Å; V350-I354 WeakPolarHBondContact O-CG1 3.41Å; V350-I354 PolarHBondContact O-N 3.43Å; A351-I354 PolarHBondContact O-N 2.86Å; I354-M356 HydrophobicContact CB-CE 3.89Å; I354-M356 HydrophobicContact CG2-CE 3.46Å; I354-M356 VanDerWaalsContact CG2-CE 3.46Å; I354-M356 WeakPolarHBondContact O-CE 3.5Å; I354-M356 PolarHBondContact O-N 2.98Å; I354-M356 VanDerWaalsContact O-N 3.13Å; I354-T369 HydrophobicContact CG2-CG2 4.27Å |
| 355 | K | 77.1 | Confident | 68.6 | Low | 162 Ų | 162 | 102.4 Ų | 102.4 | 70% | 0.704 | 57% | 0.571 | S | S | * | * | trans | -56.5 | 113.8 | 175.4 | -174.6 | 178.7 | -178.9 | 179.5 | 0 | 111.5 | L353 H357 | L353-K355 PolarHBondContact O-N 3.29Å; K355-H357 PolarHBondContact O-CD2 3.35Å | ||
| 356 | M | 85.1 | Confident | 71.3 | Confident | 87 Ų | 87 | 99.1 Ų | 99.1 | 43% | 0.429 | 56% | 0.556 | S | S | . | * | trans | -80.1 | 124.5 | 176 | -68.8 | -62 | 107.2 | 0 | 0 | 112 | I354 K358 T369 | I354-M356 HydrophobicContact CB-CE 3.89Å; I354-M356 HydrophobicContact CG2-CE 3.46Å; I354-M356 VanDerWaalsContact CG2-CE 3.46Å; I354-M356 WeakPolarHBondContact O-CE 3.5Å; I354-M356 PolarHBondContact O-N 2.98Å; I354-M356 VanDerWaalsContact O-N 3.13Å; M356-K358 PolarHBondContact O-N 3.39Å; M356-T369 HydrophobicContact CE-CG2 3.93Å | ||
| 357 | H | 86.6 | Confident | 73.5 | Confident | 45 Ų | 45 | 96.8 Ų | 96.8 | 21% | 0.208 | 55% | 0.547 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 97.5 | 172.6 | -69.6 | -99.8 | 0 | 0 | 0 | 109.8 | K355 M367 Y368 L374 | K355-H357 PolarHBondContact O-CD2 3.35Å; H357-M367 CarbonylContact O-C 3.59Å; H357-M367 WeakPolarHBondContact O-CA 3.42Å; H357-Y368 PolarHBondContact N-O 3.21Å; H357-Y368 PolarHBondContact O-N 2.7Å; H357-L374 HydrophobicContact CB-CB 3.99Å; H357-L374 HydrophobicContact CB-CD2 3.83Å |
| 358 | K | 89 | Confident | 75.8 | Confident | 138 Ų | 138 | 89.8 Ų | 89.8 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 143.7 | 178.3 | -177.6 | -178.5 | 173.8 | -173.7 | 0 | 111.8 | M356 M367 L374 | M356-K358 PolarHBondContact O-N 3.39Å; K358-M367 HydrophobicContact CB-CG 4.07Å; K358-M367 HydrophobicContact CG-CG 4.08Å; K358-L374 WeakPolarHBondContact O-CD2 3.42Å |
| 359 | C | 91 | Very high | 77.9 | Confident | 4 Ų | 4 | 89.9 Ų | 89.9 | 3% | 0.027 | 51% | 0.512 | C | S | . | . | trans | -69 | 128.6 | 170.4 | -167.9 | 0 | 0 | 0 | 0 | 111.9 | F361 C364 K366 L374 H377 | C359-F361 VanDerWaalsContact C-N 3.35Å; C359-C364 HydrophobicContact CB-CB 4.18Å; C359-K366 WeakPolarHBondContact CB-O 3.28Å; C359-K366 PolarHBondContact N-O 3.36Å; C359-L374 HydrophobicContact CB-CD1 4.15Å; C359-H377 PolarHBondContact SG-NE2 2.68Å | ||
| 360 | T | 88.9 | Confident | 79.6 | Confident | 122 Ų | 122 | 89.9 Ų | 89.9 | 75% | 0.748 | 51% | 0.505 | S | S | * | . | trans | -81.3 | -13.3 | 178.5 | -32.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 361 | F | 89.1 | Confident | 81.4 | Confident | 95 Ų | 95 | 86.4 Ų | 86.4 | 42% | 0.417 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -71.1 | 131.9 | -173.7 | -165.3 | -89.3 | 0 | 0 | 0 | 111.8 | C359 G363 C364 H381 | C359-F361 VanDerWaalsContact C-N 3.35Å; F361-G363 PolarHBondContact O-N 3.32Å; F361-C364 HydrophobicContact CB-CB 4.25Å; F361-C364 WeakPolarHBondContact O-CB 3.38Å; F361-C364 PolarHBondContact O-N 3.49Å; F361-H381 HydrophobicContact CB-CB 4.47Å; F361-H381 AromaticContact CD1-CE1 3.34Å; F361-H381 WeakPolarHBondContact CD1-CE1 3.34Å; F361-H381 AromaticContact CD1-CG 3.85Å; F361-H381 AromaticContact CD1-ND1 3.21Å; F361-H381 WeakPolarHBondContact CD1-ND1 3.42Å; F361-H381 HydrophobicContact CD2-CB 3.57Å; F361-H381 AromaticContact CD2-CG 3.72Å; F361-H381 AromaticContact CD2-ND1 3.87Å; F361-H381 AromaticContact CE1-ND1 3.53Å; F361-H381 HydrophobicContact CE2-CB 3.85Å; F361-H381 HydrophobicContact CG-CB 3.93Å; F361-H381 AromaticContact CG-CD2 3.86Å; F361-H381 AromaticContact CG-CE1 3.66Å; F361-H381 AromaticContact CG-CG 3.51Å; F361-H381 AromaticContact CG-ND1 3.39Å; F361-H381 WeakPolarHBondContact CG-ND1 3.27Å; F361-H381 AromaticContact CG-NE2 3.98Å; F361-H381 HydrophobicContact CZ-CB 4.44Å; F361-H381 AromaticContact CZ-ND1 3.99Å |
| 362 | P | 87.9 | Confident | 82.9 | Confident | 106 Ų | 106 | 84.1 Ų | 84.1 | 69% | 0.688 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 134.8 | -177.9 | 23.4 | -33.9 | 0 | 0 | 0 | 111.7 | C364 | P362-C364 VanDerWaalsContact C-N 3.27Å; P362-C364 PolarHBondContact O-N 3.11Å |
| 363 | G | 86.9 | Confident | 84.6 | Confident | 92 Ų | 92 | 82 Ų | 82 | 95% | 0.948 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | -2.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | F361 | F361-G363 PolarHBondContact O-N 3.32Š|
| 364 | C | 89.5 | Confident | 86.1 | Confident | 18 Ų | 18 | 76.4 Ų | 76.4 | 12% | 0.122 | 42% | 0.422 | C | S | . | . | trans | -101.4 | 104.8 | 177.2 | -153.6 | 0 | 0 | 0 | 0 | 113.3 | C359 F361 P362 K366 H377 H381 | C359-C364 HydrophobicContact CB-CB 4.18Å; F361-C364 HydrophobicContact CB-CB 4.25Å; F361-C364 WeakPolarHBondContact O-CB 3.38Å; F361-C364 PolarHBondContact O-N 3.49Å; P362-C364 VanDerWaalsContact C-N 3.27Å; P362-C364 PolarHBondContact O-N 3.11Å; C364-K366 VanDerWaalsContact C-N 3.28Å; C364-K366 PolarHBondContact O-N 2.4Å; C364-H377 PolarHBondContact SG-NE2 3.29Å; C364-H377 VanDerWaalsContact SG-NE2 3.42Å; C364-H381 PolarHBondContact SG-NE2 2.94Å; C364-H381 VanDerWaalsContact SG-NE2 3.38Å | ||
| 365 | A | 89.8 | Confident | 86.9 | Confident | 91 Ų | 91 | 77.9 Ų | 77.9 | 75% | 0.752 | 43% | 0.426 | S | S | * | . | trans | -84 | 13.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 366 | K | 89.8 | Confident | 87.2 | Confident | 105 Ų | 105 | 70.9 Ų | 70.9 | 46% | 0.457 | 40% | 0.399 | S | S | . | . | trans | -78 | 143.9 | -174 | -64.3 | -166.4 | 177.5 | -167.7 | 0 | 112.4 | C359 C364 Y368 | C359-K366 WeakPolarHBondContact CB-O 3.28Å; C359-K366 PolarHBondContact N-O 3.36Å; C364-K366 VanDerWaalsContact C-N 3.28Å; C364-K366 PolarHBondContact O-N 2.4Å; K366-Y368 HydrophobicContact CB-CE2 3.71Å; K366-Y368 WeakPolarHBondContact CD-OH 3.47Å | ||
| 367 | M | 90.3 | Very high | 87.3 | Confident | 117 Ų | 117 | 67.2 Ų | 67.2 | 58% | 0.576 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 150.8 | 179.1 | -57.6 | -171.3 | -66.4 | 0 | 0 | 110.2 | H357 K358 | H357-M367 CarbonylContact O-C 3.59Å; H357-M367 WeakPolarHBondContact O-CA 3.42Å; K358-M367 HydrophobicContact CB-CG 4.07Å; K358-M367 HydrophobicContact CG-CG 4.08Å |
| 368 | Y | 87.1 | Confident | 87.4 | Confident | 55 Ų | 55 | 67.7 Ų | 67.7 | 22% | 0.216 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 145 | -170.8 | -65.2 | -89.6 | 0 | 0 | 0 | 111.6 | H357 K366 K370 H373 L374 H377 | H357-Y368 PolarHBondContact N-O 3.21Å; H357-Y368 PolarHBondContact O-N 2.7Å; K366-Y368 HydrophobicContact CB-CE2 3.71Å; K366-Y368 WeakPolarHBondContact CD-OH 3.47Å; Y368-K370 VanDerWaalsContact C-N 3.35Å; Y368-H373 HydrophobicContact CD1-CB 3.58Å; Y368-H373 HydrophobicContact CE1-CB 4.41Å; Y368-H373 HydrophobicContact CG-CB 4.08Å; Y368-L374 HydrophobicContact CD2-CB 4.3Å; Y368-L374 HydrophobicContact CD2-CD1 4.29Å; Y368-H377 HydrophobicContact CE1-CB 4.46Å; Y368-H377 HydrophobicContact CE2-CB 3.99Å; Y368-H377 AromaticContact CE2-CD2 3.22Å; Y368-H377 WeakPolarHBondContact CE2-CD2 3.3Å; Y368-H377 AromaticContact CE2-CG 3.81Å; Y368-H377 AromaticContact CZ-CD2 3.62Å; Y368-H377 AromaticContact CZ-CG 3.77Å; Y368-H377 PolarHBondContact OH-CD2 2.7Å |
| 369 | T | 85.6 | Confident | 87.3 | Confident | 86 Ų | 86 | 62.9 Ų | 62.9 | 53% | 0.528 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -78.5 | -16 | 176.9 | 50.3 | 0 | 0 | 0 | 0 | 114 | I354 M356 | I354-T369 HydrophobicContact CG2-CG2 4.27Å; M356-T369 HydrophobicContact CE-CG2 3.93Å |
| 370 | K | 84 | Confident | 87.1 | Confident | 59 Ų | 59 | 68.9 Ų | 68.9 | 26% | 0.257 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -124.3 | 147.6 | 179.3 | -65.2 | -163.3 | 176.5 | -164.7 | 0 | 110.8 | E158 Y368 H373 L374 | E158-K370 VanDerWaalsContact CG-NZ 3.33Å; E158-K370 IonicContact OE1-NZ 2.87Å; E158-K370 PolarHBondContact OE1-NZ 2.92Å; Y368-K370 VanDerWaalsContact C-N 3.35Å; K370-H373 HydrophobicContact CB-CB 4.27Å; K370-L374 PolarHBondContact O-N 3.13Å |
| 371 | S | 84 | Confident | 86.9 | Confident | 35 Ų | 35 | 65.3 Ų | 65.3 | 25% | 0.245 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 172.2 | 59.7 | 0 | 0 | 0 | 0 | 111.9 | E161 H373 L374 K375 | E161-S371 VanDerWaalsContact CD-OG 3.26Å; E161-S371 VanDerWaalsContact OE1-CB 3.32Å; E161-S371 WeakPolarHBondContact OE1-CB 3.41Å; E161-S371 PolarHBondContact OE1-OG 3.33Å; E161-S371 PolarHBondContact OE2-OG 3.35Å; S371-H373 VanDerWaalsContact C-N 3.34Å; S371-H373 PolarHBondContact O-N 2.72Å; S371-L374 WeakPolarHBondContact O-CB 3.17Å; S371-L374 PolarHBondContact O-N 3.4Å; S371-L374 VanDerWaalsContact O-N 3.07Å; S371-K375 PolarHBondContact O-N 3.1Å |
| 372 | S | 82.5 | Confident | 86.7 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 11% | 0.105 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.9 | -41.1 | 178.5 | 61.7 | 0 | 0 | 0 | 0 | 113 | L374 K375 A376 | S372-L374 VanDerWaalsContact C-N 3.32Å; S372-L374 PolarHBondContact O-N 3.28Å; S372-K375 WeakPolarHBondContact O-CB 3.34Å; S372-K375 PolarHBondContact O-N 3.03Å; S372-A376 WeakPolarHBondContact O-CB 3.49Å; S372-A376 PolarHBondContact O-N 3.43Å |
| 373 | H | 85.6 | Confident | 86.6 | Confident | 78 Ų | 78 | 62.1 Ų | 62.1 | 36% | 0.361 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.9 | -33.3 | 176.3 | -68.9 | 169.6 | 0 | 0 | 0 | 112.9 | Y368 K370 S371 H377 | Y368-H373 HydrophobicContact CD1-CB 3.58Å; Y368-H373 HydrophobicContact CE1-CB 4.41Å; Y368-H373 HydrophobicContact CG-CB 4.08Å; K370-H373 HydrophobicContact CB-CB 4.27Å; S371-H373 VanDerWaalsContact C-N 3.34Å; S371-H373 PolarHBondContact O-N 2.72Å; H373-H377 VanDerWaalsContact O-CB 3.31Å; H373-H377 WeakPolarHBondContact O-CB 3.14Å; H373-H377 PolarHBondContact O-N 2.92Å |
| 374 | L | 88.3 | Confident | 86.6 | Confident | 21 Ų | 21 | 62.4 Ų | 62.4 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.8 | -45 | 170.6 | 174.6 | 61.7 | 0 | 0 | 0 | 111.2 | H357 K358 C359 Y368 K370 S371 S372 A376 H377 L378 | H357-L374 HydrophobicContact CB-CB 3.99Å; H357-L374 HydrophobicContact CB-CD2 3.83Å; K358-L374 WeakPolarHBondContact O-CD2 3.42Å; C359-L374 HydrophobicContact CB-CD1 4.15Å; Y368-L374 HydrophobicContact CD2-CB 4.3Å; Y368-L374 HydrophobicContact CD2-CD1 4.29Å; K370-L374 PolarHBondContact O-N 3.13Å; S371-L374 WeakPolarHBondContact O-CB 3.17Å; S371-L374 PolarHBondContact O-N 3.4Å; S371-L374 VanDerWaalsContact O-N 3.07Å; S372-L374 VanDerWaalsContact C-N 3.32Å; S372-L374 PolarHBondContact O-N 3.28Å; L374-A376 PolarHBondContact O-N 3.36Å; L374-H377 CarbonylContact O-C 3.28Å; L374-H377 WeakPolarHBondContact O-CA 3.39Å; L374-H377 WeakPolarHBondContact O-CB 3.42Å; L374-H377 PolarHBondContact O-N 2.98Å; L374-L378 HydrophobicContact CD1-CD1 4.14Å; L374-L378 HydrophobicContact CD1-CD2 4.32Å; L374-L378 HydrophobicContact CD1-CG 3.93Å; L374-L378 HydrophobicContact CG-CD1 4.01Å; L374-L378 HydrophobicContact CG-CG 4.29Å; L374-L378 WeakPolarHBondContact O-CG 3.31Å; L374-L378 PolarHBondContact O-N 3.42Å |
| 375 | K | 85.9 | Confident | 86.5 | Confident | 104 Ų | 104 | 66.5 Ų | 66.5 | 45% | 0.452 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -53 | -51.1 | 176.1 | -165.5 | 177.4 | 178.3 | -177.7 | 0 | 110.5 | E157 S371 S372 H377 L378 R379 | E157-K375 IonicContact OE1-NZ 3.69Å; E157-K375 PolarHBondContact OE1-NZ 3.2Å; E157-K375 IonicContact OE2-NZ 3.77Å; E157-K375 PolarHBondContact OE2-NZ 3.43Å; S371-K375 PolarHBondContact O-N 3.1Å; S372-K375 WeakPolarHBondContact O-CB 3.34Å; S372-K375 PolarHBondContact O-N 3.03Å; K375-H377 PolarHBondContact O-N 2.78Å; K375-L378 PolarHBondContact O-N 3.45Å; K375-R379 PolarHBondContact O-N 2.87Å |
| 376 | A | 84.7 | Confident | 86.3 | Confident | 15 Ų | 15 | 64.5 Ų | 64.5 | 12% | 0.124 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.4 | -31.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S372 L374 R400 | S372-A376 WeakPolarHBondContact O-CB 3.49Å; S372-A376 PolarHBondContact O-N 3.43Å; L374-A376 PolarHBondContact O-N 3.36Å; A376-R400 HydrophobicContact CB-CG 4.36Å |
| 377 | H | 87.3 | Confident | 86.2 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 5% | 0.046 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.2 | -43.1 | 172.7 | 171.3 | 20.5 | 0 | 0 | 0 | 112.1 | C359 C364 Y368 H373 L374 K375 R379 R380 H381 | C359-H377 PolarHBondContact SG-NE2 2.68Å; C364-H377 PolarHBondContact SG-NE2 3.29Å; C364-H377 VanDerWaalsContact SG-NE2 3.42Å; Y368-H377 HydrophobicContact CE1-CB 4.46Å; Y368-H377 HydrophobicContact CE2-CB 3.99Å; Y368-H377 AromaticContact CE2-CD2 3.22Å; Y368-H377 WeakPolarHBondContact CE2-CD2 3.3Å; Y368-H377 AromaticContact CE2-CG 3.81Å; Y368-H377 AromaticContact CZ-CD2 3.62Å; Y368-H377 AromaticContact CZ-CG 3.77Å; Y368-H377 PolarHBondContact OH-CD2 2.7Å; H373-H377 VanDerWaalsContact O-CB 3.31Å; H373-H377 WeakPolarHBondContact O-CB 3.14Å; H373-H377 PolarHBondContact O-N 2.92Å; L374-H377 CarbonylContact O-C 3.28Å; L374-H377 WeakPolarHBondContact O-CA 3.39Å; L374-H377 WeakPolarHBondContact O-CB 3.42Å; L374-H377 PolarHBondContact O-N 2.98Å; K375-H377 PolarHBondContact O-N 2.78Å; H377-R379 PolarHBondContact O-N 2.76Å; H377-R380 PolarHBondContact CE1-NH2 2.83Å; H377-R380 PolarHBondContact ND1-NH2 3.46Å; H377-R380 VanDerWaalsContact O-CB 3.28Å; H377-R380 WeakPolarHBondContact O-CB 3.3Å; H377-R380 PolarHBondContact O-N 3.41Å; H377-H381 AromaticContact CE1-CD2 3.45Å; H377-H381 PolarHBondContact CE1-CD2 2.72Å; H377-H381 VanDerWaalsContact CE1-CD2 3.45Å; H377-H381 AromaticContact CE1-NE2 3.13Å; H377-H381 PolarHBondContact CE1-NE2 2.9Å; H377-H381 AromaticContact NE2-NE2 3.62Å |
| 378 | L | 87.4 | Confident | 86.2 | Confident | 55 Ų | 55 | 56.2 Ų | 56.2 | 29% | 0.288 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.1 | -32.2 | -177 | -72 | 169.1 | 0 | 0 | 0 | 112.1 | L374 K375 R380 H381 T382 | L374-L378 HydrophobicContact CD1-CD1 4.14Å; L374-L378 HydrophobicContact CD1-CD2 4.32Å; L374-L378 HydrophobicContact CD1-CG 3.93Å; L374-L378 HydrophobicContact CG-CD1 4.01Å; L374-L378 HydrophobicContact CG-CG 4.29Å; L374-L378 WeakPolarHBondContact O-CG 3.31Å; L374-L378 PolarHBondContact O-N 3.42Å; K375-L378 PolarHBondContact O-N 3.45Å; L378-R380 PolarHBondContact O-N 2.66Å; L378-R380 VanDerWaalsContact O-N 3.14Å; L378-H381 WeakPolarHBondContact O-CA 3.32Å; L378-H381 WeakPolarHBondContact O-CB 3.39Å; L378-H381 PolarHBondContact O-N 2.8Å; L378-T382 PolarHBondContact O-N 3.15Å; L378-T382 PolarHBondContact O-OG1 3.46Å |
| 379 | R | 88 | Confident | 86.5 | Confident | 38 Ų | 38 | 54.2 Ų | 54.2 | 14% | 0.143 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56 | -27.2 | 170.6 | -65.3 | -178.8 | 179.8 | 146.4 | -0.1 | 114 | K375 H377 H381 G383 E384 S399 | K375-R379 PolarHBondContact O-N 2.87Å; H377-R379 PolarHBondContact O-N 2.76Å; R379-H381 VanDerWaalsContact C-N 3.27Å; R379-H381 PolarHBondContact O-N 2.79Å; R379-G383 WeakPolarHBondContact O-CA 3.36Å; R379-G383 PolarHBondContact O-N 3.45Å; R379-E384 HydrophobicContact CB-CB 4.26Å; R379-E384 HydrophobicContact CG-CB 4.05Å; R379-E384 PolarHBondContact O-N 3.1Å; R379-S399 WeakPolarHBondContact CD-O 3.31Å; R379-S399 PolarHBondContact NH1-O 2.82Å |
| 380 | R | 85.6 | Confident | 86.7 | Confident | 129 Ų | 129 | 56.3 Ų | 56.3 | 49% | 0.487 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -74.5 | -14.6 | 173.3 | -170.2 | 172.1 | 57.5 | 73.9 | 3 | 113.3 | H377 L378 | H377-R380 PolarHBondContact CE1-NH2 2.83Å; H377-R380 PolarHBondContact ND1-NH2 3.46Å; H377-R380 VanDerWaalsContact O-CB 3.28Å; H377-R380 WeakPolarHBondContact O-CB 3.3Å; H377-R380 PolarHBondContact O-N 3.41Å; L378-R380 PolarHBondContact O-N 2.66Å; L378-R380 VanDerWaalsContact O-N 3.14Å |
| 381 | H | 86.2 | Confident | 87 | Confident | 48 Ų | 48 | 59.9 Ų | 59.9 | 22% | 0.222 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -96.5 | -41.3 | 172.5 | -72.2 | -68 | 0 | 0 | 0 | 112.4 | F361 C364 H377 L378 R379 | F361-H381 HydrophobicContact CB-CB 4.47Å; F361-H381 AromaticContact CD1-CE1 3.34Å; F361-H381 WeakPolarHBondContact CD1-CE1 3.34Å; F361-H381 AromaticContact CD1-CG 3.85Å; F361-H381 AromaticContact CD1-ND1 3.21Å; F361-H381 WeakPolarHBondContact CD1-ND1 3.42Å; F361-H381 HydrophobicContact CD2-CB 3.57Å; F361-H381 AromaticContact CD2-CG 3.72Å; F361-H381 AromaticContact CD2-ND1 3.87Å; F361-H381 AromaticContact CE1-ND1 3.53Å; F361-H381 HydrophobicContact CE2-CB 3.85Å; F361-H381 HydrophobicContact CG-CB 3.93Å; F361-H381 AromaticContact CG-CD2 3.86Å; F361-H381 AromaticContact CG-CE1 3.66Å; F361-H381 AromaticContact CG-CG 3.51Å; F361-H381 AromaticContact CG-ND1 3.39Å; F361-H381 WeakPolarHBondContact CG-ND1 3.27Å; F361-H381 AromaticContact CG-NE2 3.98Å; F361-H381 HydrophobicContact CZ-CB 4.44Å; F361-H381 AromaticContact CZ-ND1 3.99Å; C364-H381 PolarHBondContact SG-NE2 2.94Å; C364-H381 VanDerWaalsContact SG-NE2 3.38Å; H377-H381 AromaticContact CE1-CD2 3.45Å; H377-H381 PolarHBondContact CE1-CD2 2.72Å; H377-H381 VanDerWaalsContact CE1-CD2 3.45Å; H377-H381 AromaticContact CE1-NE2 3.13Å; H377-H381 PolarHBondContact CE1-NE2 2.9Å; H377-H381 AromaticContact NE2-NE2 3.62Å; L378-H381 WeakPolarHBondContact O-CA 3.32Å; L378-H381 WeakPolarHBondContact O-CB 3.39Å; L378-H381 PolarHBondContact O-N 2.8Å; R379-H381 VanDerWaalsContact C-N 3.27Å; R379-H381 PolarHBondContact O-N 2.79Å |
| 382 | T | 85.1 | Confident | 87.2 | Confident | 84 Ų | 84 | 63.6 Ų | 63.6 | 52% | 0.515 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -79 | -19.4 | 177.9 | 59.4 | 0 | 0 | 0 | 0 | 113.3 | L378 E384 | L378-T382 PolarHBondContact O-N 3.15Å; L378-T382 PolarHBondContact O-OG1 3.46Å; T382-E384 VanDerWaalsContact C-N 3.25Å; T382-E384 WeakPolarHBondContact CB-OE1 3.21Å; T382-E384 WeakPolarHBondContact CG2-OE1 3.39Å; T382-E384 PolarHBondContact O-N 2.96Å; T382-E384 WeakPolarHBondContact OG1-CG 3.28Å; T382-E384 PolarHBondContact OG1-OE1 3.01Å |
| 383 | G | 85.7 | Confident | 87.4 | Confident | 50 Ų | 50 | 67.2 Ų | 67.2 | 52% | 0.515 | 38% | 0.376 | S | S | . | . | trans | 81.1 | 2.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R379 K385 | R379-G383 WeakPolarHBondContact O-CA 3.36Å; R379-G383 PolarHBondContact O-N 3.45Å; G383-K385 PolarHBondContact O-N 2.87Å | ||
| 384 | E | 86.3 | Confident | 87.6 | Confident | 98 Ų | 98 | 64.1 Ų | 64.1 | 46% | 0.458 | 36% | 0.363 | S | S | . | . | trans | -55.1 | 131.7 | 179.5 | -78 | 161.5 | -122.2 | 0 | 0 | 112.9 | R379 T382 | R379-E384 HydrophobicContact CB-CB 4.26Å; R379-E384 HydrophobicContact CG-CB 4.05Å; R379-E384 PolarHBondContact O-N 3.1Å; T382-E384 VanDerWaalsContact C-N 3.25Å; T382-E384 WeakPolarHBondContact CB-OE1 3.21Å; T382-E384 WeakPolarHBondContact CG2-OE1 3.39Å; T382-E384 PolarHBondContact O-N 2.96Å; T382-E384 WeakPolarHBondContact OG1-CG 3.28Å; T382-E384 PolarHBondContact OG1-OE1 3.01Å | ||
| 385 | K | 87.6 | Confident | 87.6 | Confident | 104 Ų | 104 | 66.9 Ų | 66.9 | 45% | 0.452 | 40% | 0.396 | S | S | . | . | trans | -130.8 | 75.8 | 176.2 | -67.6 | 166.9 | -178.7 | 177.4 | 0 | 110.3 | G383 F387 R397 F398 | G383-K385 PolarHBondContact O-N 2.87Å; K385-F387 PolarHBondContact O-N 3.33Å; K385-R397 HydrophobicContact CB-CB 3.64Å; K385-R397 HydrophobicContact CD-CB 4.33Å; K385-R397 PolarHBondContact O-NE 3.25Å; K385-F398 CarbonylContact C-O 3.25Å; K385-F398 VanDerWaalsContact C-O 3.28Å; K385-F398 WeakPolarHBondContact CA-O 3.41Å | ||
| 386 | P | 86 | Confident | 87.8 | Confident | 48 Ų | 48 | 69.4 Ų | 69.4 | 31% | 0.312 | 40% | 0.403 | S | S | . | . | trans | -59.7 | -48.1 | -176.1 | -22.2 | 33.8 | 0 | 0 | 0 | 111.5 | A388 R397 | P386-A388 PolarHBondContact O-N 3.26Å; P386-R397 PolarHBondContact O-NH2 3.13Å | ||
| 387 | F | 88.1 | Confident | 88.1 | Confident | 15 Ų | 15 | 75.1 Ų | 75.1 | 7% | 0.066 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 107.9 | -170.6 | -50.7 | -78 | 0 | 0 | 0 | 111.6 | K385 R397 F398 R400 L404 | K385-F387 PolarHBondContact O-N 3.33Å; F387-R397 CarbonylContact O-C 3.51Å; F387-R397 VanDerWaalsContact O-CA 3.27Å; F387-R397 WeakPolarHBondContact O-CA 3.22Å; F387-F398 HydrophobicContact CB-CB 4.45Å; F387-F398 PolarHBondContact N-O 3.45Å; F387-F398 PolarHBondContact O-N 3.45Å; F387-R400 VanDerWaalsContact CE2-C 3.43Å; F387-R400 VanDerWaalsContact CE2-CA 3.48Å; F387-L404 HydrophobicContact CB-CB 4.08Å; F387-L404 HydrophobicContact CB-CD2 3.81Å |
| 388 | A | 90 | Very high | 88.2 | Confident | 33 Ų | 33 | 75.8 Ų | 75.8 | 27% | 0.273 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 149.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P386 R397 L404 | P386-A388 PolarHBondContact O-N 3.26Å; A388-R397 HydrophobicContact CB-CG 4.11Å; A388-L404 VanDerWaalsContact O-CD2 3.26Å; A388-L404 WeakPolarHBondContact O-CD2 3.41Å |
| 389 | C | 92.8 | Very high | 88.1 | Confident | 14 Ų | 14 | 74.4 Ų | 74.4 | 10% | 0.095 | 42% | 0.419 | C | S | . | . | trans | -71 | 135.2 | 163.5 | -159.5 | 0 | 0 | 0 | 0 | 110 | C394 W396 L404 H407 H411 | C389-C394 HydrophobicContact CB-CB 4.19Å; C389-W396 PolarHBondContact N-O 2.98Å; C389-L404 HydrophobicContact CB-CD1 4.17Å; C389-H407 PolarHBondContact SG-NE2 3.45Å; C389-H411 PolarHBondContact SG-NE2 3.48Å | ||
| 390 | T | 90.8 | Very high | 88 | Confident | 130 Ų | 130 | 77.1 Ų | 77.1 | 80% | 0.798 | 43% | 0.429 | S | S | * | . | trans | -96.9 | 3.2 | 175.7 | 51 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 391 | W | 89.5 | Confident | 88 | Confident | 134 Ų | 134 | 72 Ų | 72 | 51% | 0.508 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -72.3 | 132 | 179.2 | -169.7 | -86.3 | 0 | 0 | 0 | 110.7 | G393 C394 H411 | W391-G393 PolarHBondContact O-N 3.42Å; W391-C394 HydrophobicContact CB-CB 3.98Å; W391-C394 WeakPolarHBondContact O-CB 3.43Å; W391-C394 PolarHBondContact O-N 3.38Å; W391-H411 AromaticContact CD1-ND1 3.89Å; W391-H411 HydrophobicContact CD2-CB 3.6Å; W391-H411 AromaticContact CD2-CG 3.73Å; W391-H411 HydrophobicContact CE3-CB 3.67Å; W391-H411 HydrophobicContact CG-CB 4.12Å; W391-H411 AromaticContact CG-CD2 3.69Å; W391-H411 AromaticContact CG-CG 3.68Å; W391-H411 HydrophobicContact CH2-CB 4.17Å; W391-H411 HydrophobicContact CZ2-CB 4.11Å; W391-H411 HydrophobicContact CZ3-CB 3.96Å |
| 392 | P | 87.8 | Confident | 87.9 | Confident | 112 Ų | 112 | 72.8 Ų | 72.8 | 73% | 0.727 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 130.6 | -179.9 | -28.4 | 35.9 | 0 | 0 | 0 | 112.8 | C394 | P392-C394 VanDerWaalsContact C-N 3.25Å; P392-C394 PolarHBondContact O-N 3.35Å |
| 393 | G | 87.6 | Confident | 88 | Confident | 92 Ų | 92 | 71 Ų | 71 | 95% | 0.948 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | -2.8 | -176 | 0 | 0 | 0 | 0 | 0 | 115.8 | W391 | W391-G393 PolarHBondContact O-N 3.42Š|
| 394 | C | 88.6 | Confident | 88.3 | Confident | 13 Ų | 13 | 69.7 Ų | 69.7 | 9% | 0.088 | 39% | 0.386 | C | S | . | . | trans | -100.2 | 93.5 | -179 | -163.7 | 0 | 0 | 0 | 0 | 113.5 | C389 W391 P392 W396 H407 H411 | C389-C394 HydrophobicContact CB-CB 4.19Å; W391-C394 HydrophobicContact CB-CB 3.98Å; W391-C394 WeakPolarHBondContact O-CB 3.43Å; W391-C394 PolarHBondContact O-N 3.38Å; P392-C394 VanDerWaalsContact C-N 3.25Å; P392-C394 PolarHBondContact O-N 3.35Å; C394-W396 PolarHBondContact O-N 3.32Å; C394-W396 VanDerWaalsContact O-N 3.11Å; C394-H407 PolarHBondContact SG-NE2 3.4Å; C394-H411 VanDerWaalsContact CB-CE1 3.41Å; C394-H411 WeakPolarHBondContact CB-CE1 3.35Å; C394-H411 VanDerWaalsContact CB-NE2 3.3Å; C394-H411 WeakPolarHBondContact CB-NE2 3.35Å; C394-H411 PolarHBondContact SG-CE1 2.96Å; C394-H411 PolarHBondContact SG-NE2 3.15Å | ||
| 395 | G | 87.8 | Confident | 88.4 | Confident | 78 Ų | 78 | 66.2 Ų | 66.2 | 80% | 0.804 | 37% | 0.373 | S | S | * | . | trans | -74.8 | 14.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 396 | W | 90.4 | Very high | 88.3 | Confident | 158 Ų | 158 | 64.9 Ų | 64.9 | 60% | 0.598 | 37% | 0.365 | S | S | * | . | trans | -76 | 137.8 | -173 | -79.7 | 64.7 | 0 | 0 | 0 | 112.7 | C389 C394 F398 | C389-W396 PolarHBondContact N-O 2.98Å; C394-W396 PolarHBondContact O-N 3.32Å; C394-W396 VanDerWaalsContact O-N 3.11Å; W396-F398 HydrophobicContact CB-CE2 3.81Å; W396-F398 HydrophobicContact CB-CZ 3.82Å; W396-F398 HydrophobicContact CD2-CZ 4.47Å; W396-F398 HydrophobicContact CE3-CE1 4.11Å; W396-F398 AromaticContact CE3-CZ 3.86Å; W396-F398 HydrophobicContact CE3-CZ 3.86Å | ||
| 397 | R | 92 | Very high | 88.5 | Confident | 134 Ų | 134 | 63.8 Ų | 63.8 | 51% | 0.506 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 148.4 | 176.4 | -51.4 | -172.2 | 74 | 115.5 | 3.5 | 112.3 | K385 P386 F387 A388 | K385-R397 HydrophobicContact CB-CB 3.64Å; K385-R397 HydrophobicContact CD-CB 4.33Å; K385-R397 PolarHBondContact O-NE 3.25Å; P386-R397 PolarHBondContact O-NH2 3.13Å; F387-R397 CarbonylContact O-C 3.51Å; F387-R397 VanDerWaalsContact O-CA 3.27Å; F387-R397 WeakPolarHBondContact O-CA 3.22Å; A388-R397 HydrophobicContact CB-CG 4.11Å |
| 398 | F | 88.6 | Confident | 88.5 | Confident | 24 Ų | 24 | 66.6 Ų | 66.6 | 11% | 0.105 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 157.3 | -169.2 | -58.1 | -83.7 | 0 | 0 | 0 | 112.7 | K385 F387 W396 E403 L404 H407 | K385-F398 CarbonylContact C-O 3.25Å; K385-F398 VanDerWaalsContact C-O 3.28Å; K385-F398 WeakPolarHBondContact CA-O 3.41Å; F387-F398 HydrophobicContact CB-CB 4.45Å; F387-F398 PolarHBondContact N-O 3.45Å; F387-F398 PolarHBondContact O-N 3.45Å; W396-F398 HydrophobicContact CB-CE2 3.81Å; W396-F398 HydrophobicContact CB-CZ 3.82Å; W396-F398 HydrophobicContact CD2-CZ 4.47Å; W396-F398 HydrophobicContact CE3-CE1 4.11Å; W396-F398 AromaticContact CE3-CZ 3.86Å; W396-F398 HydrophobicContact CE3-CZ 3.86Å; F398-E403 HydrophobicContact CB-CB 3.85Å; F398-E403 HydrophobicContact CD1-CB 3.85Å; F398-E403 HydrophobicContact CG-CB 4.09Å; F398-L404 HydrophobicContact CB-CB 4.35Å; F398-L404 HydrophobicContact CD2-CB 3.89Å; F398-L404 HydrophobicContact CD2-CD1 3.94Å; F398-L404 HydrophobicContact CE2-CD1 4.09Å; F398-L404 HydrophobicContact CG-CB 4.29Å; F398-H407 HydrophobicContact CE1-CB 3.98Å; F398-H407 HydrophobicContact CE2-CB 3.86Å; F398-H407 AromaticContact CE2-CD2 3.28Å; F398-H407 WeakPolarHBondContact CE2-CD2 3.26Å; F398-H407 AromaticContact CE2-CG 3.67Å; F398-H407 HydrophobicContact CZ-CB 3.44Å; F398-H407 VanDerWaalsContact CZ-CB 3.44Å; F398-H407 AromaticContact CZ-CD2 3.38Å; F398-H407 WeakPolarHBondContact CZ-CD2 3.33Å; F398-H407 AromaticContact CZ-CG 3.29Å; F398-H407 AromaticContact CZ-ND1 3.95Å |
| 399 | S | 86.4 | Confident | 88.4 | Confident | 26 Ų | 26 | 68 Ų | 68 | 18% | 0.182 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -86.1 | -19 | -177 | 71.2 | 0 | 0 | 0 | 0 | 113.4 | R379 E403 | R379-S399 WeakPolarHBondContact CD-O 3.31Å; R379-S399 PolarHBondContact NH1-O 2.82Å; S399-E403 PolarHBondContact N-OE2 3.14Å; S399-E403 VanDerWaalsContact N-OE2 3.11Å; S399-E403 PolarHBondContact OG-OE2 3.41Å |
| 400 | R | 84.7 | Confident | 88.1 | Confident | 95 Ų | 95 | 71.2 Ų | 71.2 | 36% | 0.358 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -137 | 152 | -176.1 | -63.6 | 154.1 | 52.3 | 104.6 | -1 | 110.9 | A376 F387 D402 E403 L404 | A376-R400 HydrophobicContact CB-CG 4.36Å; F387-R400 VanDerWaalsContact CE2-C 3.43Å; F387-R400 VanDerWaalsContact CE2-CA 3.48Å; R400-D402 WeakPolarHBondContact CB-OD1 3.16Å; R400-D402 IonicContact CZ-OD1 2.8Å; R400-D402 VanDerWaalsContact CZ-OD1 3.25Å; R400-D402 IonicContact CZ-OD2 2.66Å; R400-D402 IonicContact NE-OD1 2.71Å; R400-D402 PolarHBondContact NE-OD1 2.86Å; R400-D402 IonicContact NE-OD2 2.72Å; R400-D402 IonicContact NH2-OD1 3.25Å; R400-D402 PolarHBondContact NH2-OD1 3.11Å; R400-D402 IonicContact NH2-OD2 2.97Å; R400-D402 PolarHBondContact NH2-OD2 3.31Å; R400-E403 HydrophobicContact CB-CB 4.4Å; R400-E403 HydrophobicContact CB-CG 4Å; R400-E403 PolarHBondContact N-OE2 2.81Å; R400-E403 WeakPolarHBondContact O-CB 3.27Å; R400-E403 PolarHBondContact O-N 3.28Å; R400-L404 PolarHBondContact O-N 2.82Å |
| 401 | S | 85.6 | Confident | 87.9 | Confident | 21 Ų | 21 | 68 Ų | 68 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57 | -48.4 | 173.3 | 42.5 | 0 | 0 | 0 | 0 | 112.3 | E154 E403 L404 S405 | E154-S401 PolarHBondContact OE2-OG 3.34Å; S401-E403 VanDerWaalsContact C-N 3.28Å; S401-E403 PolarHBondContact O-N 2.93Å; S401-L404 PolarHBondContact O-N 2.92Å; S401-L404 VanDerWaalsContact O-N 3.13Å; S401-S405 PolarHBondContact O-N 3.34Å; S401-S405 PolarHBondContact O-OG 2.85Å |
| 402 | D | 84.2 | Confident | 87.7 | Confident | 65 Ų | 65 | 64.6 Ų | 64.6 | 35% | 0.348 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.6 | -28.5 | 179.3 | 79.9 | -45.1 | 0 | 0 | 0 | 114.2 | R400 S405 R406 | R400-D402 WeakPolarHBondContact CB-OD1 3.16Å; R400-D402 IonicContact CZ-OD1 2.8Å; R400-D402 VanDerWaalsContact CZ-OD1 3.25Å; R400-D402 IonicContact CZ-OD2 2.66Å; R400-D402 IonicContact NE-OD1 2.71Å; R400-D402 PolarHBondContact NE-OD1 2.86Å; R400-D402 IonicContact NE-OD2 2.72Å; R400-D402 IonicContact NH2-OD1 3.25Å; R400-D402 PolarHBondContact NH2-OD1 3.11Å; R400-D402 IonicContact NH2-OD2 2.97Å; R400-D402 PolarHBondContact NH2-OD2 3.31Å; D402-S405 WeakPolarHBondContact CA-OG 3.47Å; D402-R406 WeakPolarHBondContact O-CB 3.48Å; D402-R406 PolarHBondContact O-N 3.29Å |
| 403 | E | 87.6 | Confident | 87.5 | Confident | 48 Ų | 48 | 61.5 Ų | 61.5 | 22% | 0.224 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.9 | -43 | 174 | -68.5 | -177.2 | 139.7 | 0 | 0 | 111.2 | F398 S399 R400 S401 H407 | F398-E403 HydrophobicContact CB-CB 3.85Å; F398-E403 HydrophobicContact CD1-CB 3.85Å; F398-E403 HydrophobicContact CG-CB 4.09Å; S399-E403 PolarHBondContact N-OE2 3.14Å; S399-E403 VanDerWaalsContact N-OE2 3.11Å; S399-E403 PolarHBondContact OG-OE2 3.41Å; R400-E403 HydrophobicContact CB-CB 4.4Å; R400-E403 HydrophobicContact CB-CG 4Å; R400-E403 PolarHBondContact N-OE2 2.81Å; R400-E403 WeakPolarHBondContact O-CB 3.27Å; R400-E403 PolarHBondContact O-N 3.28Å; S401-E403 VanDerWaalsContact C-N 3.28Å; S401-E403 PolarHBondContact O-N 2.93Å; E403-H407 WeakPolarHBondContact O-CB 3.4Å; E403-H407 PolarHBondContact O-N 2.8Å |
| 404 | L | 91.4 | Very high | 87.5 | Confident | 21 Ų | 21 | 60.7 Ų | 60.7 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.2 | -50 | 175.4 | 170.7 | 60 | 0 | 0 | 0 | 111.4 | F387 A388 C389 F398 R400 S401 R406 H407 R408 | F387-L404 HydrophobicContact CB-CB 4.08Å; F387-L404 HydrophobicContact CB-CD2 3.81Å; A388-L404 VanDerWaalsContact O-CD2 3.26Å; A388-L404 WeakPolarHBondContact O-CD2 3.41Å; C389-L404 HydrophobicContact CB-CD1 4.17Å; F398-L404 HydrophobicContact CB-CB 4.35Å; F398-L404 HydrophobicContact CD2-CB 3.89Å; F398-L404 HydrophobicContact CD2-CD1 3.94Å; F398-L404 HydrophobicContact CE2-CD1 4.09Å; F398-L404 HydrophobicContact CG-CB 4.29Å; R400-L404 PolarHBondContact O-N 2.82Å; S401-L404 PolarHBondContact O-N 2.92Å; S401-L404 VanDerWaalsContact O-N 3.13Å; L404-R406 PolarHBondContact O-N 3.48Å; L404-H407 CarbonylContact O-C 3.58Å; L404-H407 WeakPolarHBondContact O-CA 3.46Å; L404-H407 WeakPolarHBondContact O-CB 3.13Å; L404-H407 PolarHBondContact O-N 2.89Å; L404-R408 HydrophobicContact CD1-CG 4.15Å; L404-R408 WeakPolarHBondContact O-CG 3.46Å; L404-R408 PolarHBondContact O-N 3.45Å |
| 405 | S | 87.9 | Confident | 87.5 | Confident | 26 Ų | 26 | 66.1 Ų | 66.1 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68 | -21.8 | -179.7 | 48 | 0 | 0 | 0 | 0 | 112.7 | S401 D402 | S401-S405 PolarHBondContact O-N 3.34Å; S401-S405 PolarHBondContact O-OG 2.85Å; D402-S405 WeakPolarHBondContact CA-OG 3.47Å |
| 406 | R | 86.6 | Confident | 87.4 | Confident | 75 Ų | 75 | 66 Ų | 66 | 28% | 0.283 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -71.5 | -46.3 | 163 | -178.5 | -176.1 | 66.5 | -147.9 | -6.6 | 112.5 | D402 L404 R408 R409 R428 | D402-R406 WeakPolarHBondContact O-CB 3.48Å; D402-R406 PolarHBondContact O-N 3.29Å; L404-R406 PolarHBondContact O-N 3.48Å; R406-R408 VanDerWaalsContact C-N 3.34Å; R406-R408 PolarHBondContact O-N 2.87Å; R406-R409 WeakPolarHBondContact O-CB 3.36Å; R406-R409 PolarHBondContact O-N 3.04Å; R406-R428 HydrophobicContact CG-CG 4.28Å |
| 407 | H | 90 | Very high | 87.5 | Confident | 26 Ų | 26 | 62.3 Ų | 62.3 | 12% | 0.12 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.8 | -38.3 | 178.1 | 166.7 | 60.7 | 0 | 0 | 0 | 112.6 | C389 C394 F398 E403 L404 R409 S410 H411 | C389-H407 PolarHBondContact SG-NE2 3.45Å; C394-H407 PolarHBondContact SG-NE2 3.4Å; F398-H407 HydrophobicContact CE1-CB 3.98Å; F398-H407 HydrophobicContact CE2-CB 3.86Å; F398-H407 AromaticContact CE2-CD2 3.28Å; F398-H407 WeakPolarHBondContact CE2-CD2 3.26Å; F398-H407 AromaticContact CE2-CG 3.67Å; F398-H407 HydrophobicContact CZ-CB 3.44Å; F398-H407 VanDerWaalsContact CZ-CB 3.44Å; F398-H407 AromaticContact CZ-CD2 3.38Å; F398-H407 WeakPolarHBondContact CZ-CD2 3.33Å; F398-H407 AromaticContact CZ-CG 3.29Å; F398-H407 AromaticContact CZ-ND1 3.95Å; E403-H407 WeakPolarHBondContact O-CB 3.4Å; E403-H407 PolarHBondContact O-N 2.8Å; L404-H407 CarbonylContact O-C 3.58Å; L404-H407 WeakPolarHBondContact O-CA 3.46Å; L404-H407 WeakPolarHBondContact O-CB 3.13Å; L404-H407 PolarHBondContact O-N 2.89Å; H407-R409 PolarHBondContact O-N 3.23Å; H407-S410 PolarHBondContact ND1-OG 3.37Å; H407-S410 PolarHBondContact O-N 3.03Å; H407-S410 PolarHBondContact O-OG 3.39Å; H407-H411 AromaticContact CD2-NE2 3.36Å; H407-H411 PolarHBondContact CD2-NE2 3.42Å; H407-H411 AromaticContact CE1-CE1 3.81Å; H407-H411 AromaticContact CE1-NE2 2.94Å; H407-H411 PolarHBondContact CE1-NE2 3.07Å; H407-H411 AromaticContact ND1-NE2 3.98Å; H407-H411 AromaticContact NE2-NE2 2.4Å; H407-H411 PolarHBondContact NE2-NE2 3.05Å |
| 408 | R | 87.8 | Confident | 87.6 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 28% | 0.275 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -53.8 | -26.6 | 174.7 | -73.5 | 178.2 | 62.1 | -142.6 | -9.5 | 113.4 | L144 L404 R406 S410 H411 S412 | L144-R408 PolarHBondContact O-NH2 3.21Å; L404-R408 HydrophobicContact CD1-CG 4.15Å; L404-R408 WeakPolarHBondContact O-CG 3.46Å; L404-R408 PolarHBondContact O-N 3.45Å; R406-R408 VanDerWaalsContact C-N 3.34Å; R406-R408 PolarHBondContact O-N 2.87Å; R408-S410 VanDerWaalsContact C-N 3.33Å; R408-S410 PolarHBondContact O-N 3.13Å; R408-H411 PolarHBondContact O-N 2.68Å; R408-S412 PolarHBondContact O-N 3.38Å |
| 409 | R | 87.6 | Confident | 87.8 | Confident | 62 Ų | 62 | 59 Ų | 59 | 23% | 0.234 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.1 | -16.8 | 175.9 | -55.5 | -174.5 | -175.3 | 99.1 | 11.4 | 114.2 | R406 H407 G413 | R406-R409 WeakPolarHBondContact O-CB 3.36Å; R406-R409 PolarHBondContact O-N 3.04Å; H407-R409 PolarHBondContact O-N 3.23Å; R409-G413 PolarHBondContact O-N 3.26Å; R409-G413 VanDerWaalsContact O-N 3.09Å |
| 410 | S | 86.3 | Confident | 88 | Confident | 82 Ų | 82 | 63 Ų | 63 | 57% | 0.573 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -76.9 | -24.8 | 171.9 | 66.5 | 0 | 0 | 0 | 0 | 112.6 | H407 R408 | H407-S410 PolarHBondContact ND1-OG 3.37Å; H407-S410 PolarHBondContact O-N 3.03Å; H407-S410 PolarHBondContact O-OG 3.39Å; R408-S410 VanDerWaalsContact C-N 3.33Å; R408-S410 PolarHBondContact O-N 3.13Å |
| 411 | H | 86.8 | Confident | 88.3 | Confident | 64 Ų | 64 | 63 Ų | 63 | 30% | 0.296 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -78.4 | -41.7 | 174.7 | -62.2 | -48.6 | 0 | 0 | 0 | 112.2 | C389 W391 C394 H407 R408 | C389-H411 PolarHBondContact SG-NE2 3.48Å; W391-H411 AromaticContact CD1-ND1 3.89Å; W391-H411 HydrophobicContact CD2-CB 3.6Å; W391-H411 AromaticContact CD2-CG 3.73Å; W391-H411 HydrophobicContact CE3-CB 3.67Å; W391-H411 HydrophobicContact CG-CB 4.12Å; W391-H411 AromaticContact CG-CD2 3.69Å; W391-H411 AromaticContact CG-CG 3.68Å; W391-H411 HydrophobicContact CH2-CB 4.17Å; W391-H411 HydrophobicContact CZ2-CB 4.11Å; W391-H411 HydrophobicContact CZ3-CB 3.96Å; C394-H411 VanDerWaalsContact CB-CE1 3.41Å; C394-H411 WeakPolarHBondContact CB-CE1 3.35Å; C394-H411 VanDerWaalsContact CB-NE2 3.3Å; C394-H411 WeakPolarHBondContact CB-NE2 3.35Å; C394-H411 PolarHBondContact SG-CE1 2.96Å; C394-H411 PolarHBondContact SG-NE2 3.15Å; H407-H411 AromaticContact CD2-NE2 3.36Å; H407-H411 PolarHBondContact CD2-NE2 3.42Å; H407-H411 AromaticContact CE1-CE1 3.81Å; H407-H411 AromaticContact CE1-NE2 2.94Å; H407-H411 PolarHBondContact CE1-NE2 3.07Å; H407-H411 AromaticContact ND1-NE2 3.98Å; H407-H411 AromaticContact NE2-NE2 2.4Å; H407-H411 PolarHBondContact NE2-NE2 3.05Å; R408-H411 PolarHBondContact O-N 2.68Å |
| 412 | S | 85.3 | Confident | 88.6 | Confident | 62 Ų | 62 | 64.5 Ų | 64.5 | 43% | 0.434 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -86.2 | -5.6 | 178.9 | 63.1 | 0 | 0 | 0 | 0 | 114.7 | R408 V414 | R408-S412 PolarHBondContact O-N 3.38Å; S412-V414 PolarHBondContact O-N 3.08Å; S412-V414 WeakPolarHBondContact OG-CG2 3.42Å |
| 413 | G | 85.1 | Confident | 88.9 | Confident | 46 Ų | 46 | 68.1 Ų | 68.1 | 47% | 0.474 | 37% | 0.368 | S | S | . | . | trans | 65.1 | 3.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R409 K415 | R409-G413 PolarHBondContact O-N 3.26Å; R409-G413 VanDerWaalsContact O-N 3.09Å; G413-K415 PolarHBondContact O-N 3.39Å | ||
| 414 | V | 86.6 | Confident | 89 | Confident | 75 Ų | 75 | 70.5 Ų | 70.5 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | trans | -66.6 | 121.2 | -169.7 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | S412 P416 | S412-V414 PolarHBondContact O-N 3.08Å; S412-V414 WeakPolarHBondContact OG-CG2 3.42Å; V414-P416 VanDerWaalsContact O-CD 3.31Å; V414-P416 WeakPolarHBondContact O-CD 3.34Å | ||
| 415 | K | 88.8 | Confident | 89.1 | Confident | 128 Ų | 128 | 75.4 Ų | 75.4 | 56% | 0.557 | 40% | 0.399 | S | S | * | . | trans | -115.7 | 78.2 | -178.2 | -68.8 | 169.4 | -174.1 | 179.4 | 0 | 111.2 | G413 Y417 K425 F426 A427 | G413-K415 PolarHBondContact O-N 3.39Å; K415-Y417 VanDerWaalsContact C-N 3.31Å; K415-Y417 PolarHBondContact O-N 3.43Å; K415-K425 HydrophobicContact CB-CB 3.78Å; K415-F426 CarbonylContact C-O 3.1Å; K415-F426 VanDerWaalsContact C-O 3.25Å; K415-F426 WeakPolarHBondContact CA-O 3.26Å; K415-A427 HydrophobicContact CG-CB 4.35Å | ||
| 416 | P | 86.6 | Confident | 89.2 | Confident | 75 Ų | 75 | 76.2 Ų | 76.2 | 49% | 0.487 | 40% | 0.399 | S | S | . | . | trans | -82 | -3.7 | -168.8 | 34.4 | -35 | 0 | 0 | 0 | 114.2 | V414 F426 | V414-P416 VanDerWaalsContact O-CD 3.31Å; V414-P416 WeakPolarHBondContact O-CD 3.34Å; P416-F426 WeakPolarHBondContact CD-O 3.38Å | ||
| 417 | Y | 91 | Very high | 89.3 | Confident | 81 Ų | 81 | 74 Ų | 74 | 32% | 0.318 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 96.2 | -176.2 | -57.4 | -73 | 0 | 0 | 0 | 110.9 | K415 F426 S429 | K415-Y417 VanDerWaalsContact C-N 3.31Å; K415-Y417 PolarHBondContact O-N 3.43Å; Y417-F426 WeakPolarHBondContact CB-O 3.17Å; Y417-F426 PolarHBondContact N-O 3.02Å; Y417-F426 VanDerWaalsContact N-O 3.09Å; Y417-F426 PolarHBondContact O-N 3.2Å; Y417-S429 VanDerWaalsContact CD2-N 3.28Å; Y417-S429 VanDerWaalsContact CE2-N 3.34Å |
| 418 | Q | 94.1 | Very high | 89.2 | Confident | 88 Ų | 88 | 75.1 Ų | 75.1 | 41% | 0.411 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 143.6 | -179.4 | -173.5 | 159.8 | -18.7 | 0 | 0 | 112.8 | E423 K425 L432 | Q418-E423 WeakPolarHBondContact CG-O 3.49Å; Q418-K425 HydrophobicContact CB-CG 4.26Å; Q418-K425 HydrophobicContact CG-CG 4.18Å; Q418-K425 VanDerWaalsContact OE1-CE 3.24Å; Q418-L432 WeakPolarHBondContact O-CD2 3.38Å |
| 419 | C | 92.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.007 | 41% | 0.407 | C | S | . | . | trans | -77.8 | 125.4 | 172 | -172.5 | 0 | 0 | 0 | 0 | 111.8 | V421 E423 K424 F426 L432 H435 | C419-V421 PolarHBondContact O-N 3.16Å; C419-E423 WeakPolarHBondContact O-CA 3.29Å; C419-E423 PolarHBondContact O-N 3.33Å; C419-K424 WeakPolarHBondContact CB-O 3.47Å; C419-K424 PolarHBondContact N-O 2.95Å; C419-F426 HydrophobicContact CB-CE2 4.4Å; C419-L432 HydrophobicContact CB-CD1 3.93Å; C419-H435 VanDerWaalsContact SG-CD2 3.55Å | ||
| 420 | P | 90.9 | Very high | 89.4 | Confident | 110 Ų | 110 | 74 Ų | 74 | 71% | 0.714 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 4.9 | 178.5 | 33.1 | -37.3 | 0 | 0 | 0 | 114.2 | ||
| 421 | V | 90.3 | Very high | 89.7 | Confident | 95 Ų | 95 | 72 Ų | 72 | 58% | 0.576 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | -36.9 | -177.8 | -175.6 | 0 | 0 | 0 | 0 | 112.4 | C419 H439 | C419-V421 PolarHBondContact O-N 3.16Å; V421-H439 HydrophobicContact CG1-CB 4.17Å; V421-H439 HydrophobicContact CG2-CB 4.4Å |
| 422 | C | 92.3 | Very high | 90.1 | Very high | 52 Ų | 52 | 70.1 Ų | 70.1 | 35% | 0.351 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.1 | 20.5 | -178.2 | 76.7 | 0 | 0 | 0 | 0 | 113.4 | K424 H435 H439 | C422-K424 PolarHBondContact O-N 2.91Å; C422-H435 PolarHBondContact SG-NE2 2.76Å; C422-H439 PolarHBondContact SG-CE1 2.97Å; C422-H439 PolarHBondContact SG-NE2 3.3Å |
| 423 | E | 90.6 | Very high | 90.4 | Very high | 140 Ų | 140 | 70.4 Ų | 70.4 | 65% | 0.654 | 38% | 0.384 | S | S | * | . | trans | 57.4 | -1.8 | 170.8 | -60.6 | -173.6 | -167.2 | 0 | 0 | 118.3 | Q418 C419 K425 | Q418-E423 WeakPolarHBondContact CG-O 3.49Å; C419-E423 WeakPolarHBondContact O-CA 3.29Å; C419-E423 PolarHBondContact O-N 3.33Å; E423-K425 PolarHBondContact O-N 3.29Å | ||
| 424 | K | 90.9 | Very high | 90.7 | Very high | 99 Ų | 99 | 74 Ų | 74 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | trans | -54.1 | 124.3 | 173.4 | -71.9 | -162.3 | 172.2 | -169.4 | 0 | 110.4 | D45 C419 C422 F426 | D45-K424 IonicContact OD2-NZ 3.72Å; D45-K424 PolarHBondContact OD2-NZ 3.32Å; C419-K424 WeakPolarHBondContact CB-O 3.47Å; C419-K424 PolarHBondContact N-O 2.95Å; C422-K424 PolarHBondContact O-N 2.91Å; K424-F426 HydrophobicContact CB-CE2 4.01Å; K424-F426 HydrophobicContact CB-CZ 4.13Å; K424-F426 WeakPolarHBondContact O-CD2 3.41Å; K424-F426 WeakPolarHBondContact O-CE2 3.36Å | ||
| 425 | K | 91.8 | Very high | 91 | Very high | 124 Ų | 124 | 72.2 Ų | 72.2 | 54% | 0.539 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 137.9 | -178.8 | -61.7 | -175.8 | 178.8 | -180 | 0 | 110.8 | K415 Q418 E423 | K415-K425 HydrophobicContact CB-CB 3.78Å; Q418-K425 HydrophobicContact CB-CG 4.26Å; Q418-K425 HydrophobicContact CG-CG 4.18Å; Q418-K425 VanDerWaalsContact OE1-CE 3.24Å; E423-K425 PolarHBondContact O-N 3.29Å |
| 426 | F | 90.2 | Very high | 91.1 | Very high | 43 Ų | 43 | 68 Ų | 68 | 19% | 0.189 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 145.4 | -178 | -61.4 | -89.3 | 0 | 0 | 0 | 111.5 | K415 P416 Y417 C419 K424 R428 H431 L432 H435 | K415-F426 CarbonylContact C-O 3.1Å; K415-F426 VanDerWaalsContact C-O 3.25Å; K415-F426 WeakPolarHBondContact CA-O 3.26Å; P416-F426 WeakPolarHBondContact CD-O 3.38Å; Y417-F426 WeakPolarHBondContact CB-O 3.17Å; Y417-F426 PolarHBondContact N-O 3.02Å; Y417-F426 VanDerWaalsContact N-O 3.09Å; Y417-F426 PolarHBondContact O-N 3.2Å; C419-F426 HydrophobicContact CB-CE2 4.4Å; K424-F426 HydrophobicContact CB-CE2 4.01Å; K424-F426 HydrophobicContact CB-CZ 4.13Å; K424-F426 WeakPolarHBondContact O-CD2 3.41Å; K424-F426 WeakPolarHBondContact O-CE2 3.36Å; F426-R428 PolarHBondContact O-N 3.45Å; F426-H431 HydrophobicContact CB-CB 4.48Å; F426-H431 HydrophobicContact CD1-CB 3.95Å; F426-H431 HydrophobicContact CG-CB 4.47Å; F426-L432 HydrophobicContact CB-CB 4.37Å; F426-L432 HydrophobicContact CD2-CB 3.93Å; F426-L432 HydrophobicContact CD2-CD1 3.91Å; F426-L432 HydrophobicContact CE2-CD1 4.05Å; F426-L432 HydrophobicContact CG-CB 4.28Å; F426-H435 HydrophobicContact CE1-CB 4.13Å; F426-H435 HydrophobicContact CE2-CB 4.05Å; F426-H435 AromaticContact CE2-CD2 3.53Å; F426-H435 AromaticContact CE2-CG 3.79Å; F426-H435 HydrophobicContact CZ-CB 3.57Å; F426-H435 AromaticContact CZ-CD2 3.54Å; F426-H435 AromaticContact CZ-CG 3.34Å; F426-H435 AromaticContact CZ-ND1 3.77Å |
| 427 | A | 88.6 | Confident | 91.4 | Very high | 27 Ų | 27 | 70.8 Ų | 70.8 | 22% | 0.223 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -73 | -11.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K415 | K415-A427 HydrophobicContact CG-CB 4.35Š|
| 428 | R | 87.9 | Confident | 91.2 | Very high | 50 Ų | 50 | 70.8 Ų | 70.8 | 19% | 0.189 | 37% | 0.369 | C | S | . | . | trans | -140.8 | 134.1 | -171.1 | -66.6 | 167.3 | 58.2 | 170.5 | 0.3 | 112.8 | R406 F426 D430 H431 L432 | R406-R428 HydrophobicContact CG-CG 4.28Å; F426-R428 PolarHBondContact O-N 3.45Å; R428-D430 VanDerWaalsContact C-N 3.31Å; R428-D430 IonicContact CZ-OD1 3.5Å; R428-D430 VanDerWaalsContact CZ-OD1 3.25Å; R428-D430 IonicContact NE-OD1 3.91Å; R428-D430 PolarHBondContact NE-OD1 3.28Å; R428-D430 IonicContact NH2-OD1 2.71Å; R428-D430 PolarHBondContact NH2-OD1 2.98Å; R428-D430 IonicContact NH2-OD2 3.25Å; R428-D430 PolarHBondContact NH2-OD2 3.25Å; R428-D430 PolarHBondContact O-N 3.11Å; R428-H431 HydrophobicContact CB-CB 4.2Å; R428-H431 VanDerWaalsContact CZ-NE2 3.28Å; R428-H431 PolarHBondContact NE-CE1 3.13Å; R428-H431 PolarHBondContact NE-NE2 3.06Å; R428-H431 PolarHBondContact NH1-CE1 3.42Å; R428-H431 PolarHBondContact NH1-NE2 3.07Å; R428-H431 PolarHBondContact NH2-CE1 3.03Å; R428-H431 VanDerWaalsContact NH2-CE1 3.32Å; R428-H431 PolarHBondContact O-N 3.33Å; R428-L432 PolarHBondContact O-N 3.41Å; R428-L432 VanDerWaalsContact O-N 3.15Å | ||
| 429 | S | 90.4 | Very high | 90.8 | Very high | 61 Ų | 61 | 69.8 Ų | 69.8 | 43% | 0.427 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.2 | -33 | 176.9 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | Y417 H431 S433 | Y417-S429 VanDerWaalsContact CD2-N 3.28Å; Y417-S429 VanDerWaalsContact CE2-N 3.34Å; S429-H431 VanDerWaalsContact C-N 3.32Å; S429-S433 VanDerWaalsContact O-CB 3.31Å; S429-S433 WeakPolarHBondContact O-CB 3.38Å; S429-S433 PolarHBondContact O-N 3.38Å; S429-S433 PolarHBondContact O-OG 2.89Å |
| 430 | D | 89.8 | Confident | 90 | Very high | 51 Ų | 51 | 76.6 Ų | 76.6 | 27% | 0.273 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.2 | -29.8 | 176.8 | 85.8 | -90.4 | 0 | 0 | 0 | 112.4 | R428 K434 | R428-D430 VanDerWaalsContact C-N 3.31Å; R428-D430 IonicContact CZ-OD1 3.5Å; R428-D430 VanDerWaalsContact CZ-OD1 3.25Å; R428-D430 IonicContact NE-OD1 3.91Å; R428-D430 PolarHBondContact NE-OD1 3.28Å; R428-D430 IonicContact NH2-OD1 2.71Å; R428-D430 PolarHBondContact NH2-OD1 2.98Å; R428-D430 IonicContact NH2-OD2 3.25Å; R428-D430 PolarHBondContact NH2-OD2 3.25Å; R428-D430 PolarHBondContact O-N 3.11Å; D430-K434 WeakPolarHBondContact O-CD 3.49Å; D430-K434 VanDerWaalsContact O-CG 3.23Å; D430-K434 WeakPolarHBondContact O-CG 3.32Å; D430-K434 PolarHBondContact O-N 3.48Å; D430-K434 WeakPolarHBondContact OD2-CE 3.31Å; D430-K434 IonicContact OD2-NZ 2.6Å; D430-K434 PolarHBondContact OD2-NZ 3.5Å |
| 431 | H | 92.6 | Very high | 88.9 | Confident | 41 Ų | 41 | 78.9 Ų | 78.9 | 19% | 0.19 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -74.2 | -45.3 | 175.6 | -66.7 | 3.3 | 0 | 0 | 0 | 110.6 | D48 F426 R428 S429 S433 K434 H435 | D48-H431 IonicContact OD1-NE2 3.03Å; F426-H431 HydrophobicContact CB-CB 4.48Å; F426-H431 HydrophobicContact CD1-CB 3.95Å; F426-H431 HydrophobicContact CG-CB 4.47Å; R428-H431 HydrophobicContact CB-CB 4.2Å; R428-H431 VanDerWaalsContact CZ-NE2 3.28Å; R428-H431 PolarHBondContact NE-CE1 3.13Å; R428-H431 PolarHBondContact NE-NE2 3.06Å; R428-H431 PolarHBondContact NH1-CE1 3.42Å; R428-H431 PolarHBondContact NH1-NE2 3.07Å; R428-H431 PolarHBondContact NH2-CE1 3.03Å; R428-H431 VanDerWaalsContact NH2-CE1 3.32Å; R428-H431 PolarHBondContact O-N 3.33Å; S429-H431 VanDerWaalsContact C-N 3.32Å; H431-S433 VanDerWaalsContact C-N 3.29Å; H431-S433 PolarHBondContact O-N 2.85Å; H431-K434 PolarHBondContact O-N 3.12Å; H431-H435 WeakPolarHBondContact O-CB 3.38Å; H431-H435 PolarHBondContact O-N 2.62Å |
| 432 | L | 94.4 | Very high | 87.4 | Confident | 23 Ų | 23 | 79.1 Ų | 79.1 | 12% | 0.12 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -55.4 | -44.7 | 169.1 | 174 | 60.8 | 0 | 0 | 0 | 111.6 | Q418 C419 F426 R428 K434 H435 I436 | Q418-L432 WeakPolarHBondContact O-CD2 3.38Å; C419-L432 HydrophobicContact CB-CD1 3.93Å; F426-L432 HydrophobicContact CB-CB 4.37Å; F426-L432 HydrophobicContact CD2-CB 3.93Å; F426-L432 HydrophobicContact CD2-CD1 3.91Å; F426-L432 HydrophobicContact CE2-CD1 4.05Å; F426-L432 HydrophobicContact CG-CB 4.28Å; R428-L432 PolarHBondContact O-N 3.41Å; R428-L432 VanDerWaalsContact O-N 3.15Å; L432-K434 VanDerWaalsContact C-N 3.32Å; L432-K434 PolarHBondContact O-N 3.02Å; L432-H435 PolarHBondContact O-N 3.48Å; L432-I436 HydrophobicContact CD1-CD1 3.69Å; L432-I436 HydrophobicContact CD1-CG1 3.88Å; L432-I436 HydrophobicContact CD2-CD1 4.42Å; L432-I436 HydrophobicContact CG-CD1 3.78Å; L432-I436 HydrophobicContact CG-CG1 4.38Å; L432-I436 WeakPolarHBondContact O-CB 3.42Å; L432-I436 WeakPolarHBondContact O-CG1 3.47Å; L432-I436 PolarHBondContact O-N 2.95Å |
| 433 | S | 92.9 | Very high | 85.7 | Confident | 69 Ų | 69 | 87.7 Ų | 87.7 | 48% | 0.483 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.5 | -31.4 | 179.8 | -60.3 | 0 | 0 | 0 | 0 | 113.5 | S429 H431 | S429-S433 VanDerWaalsContact O-CB 3.31Å; S429-S433 WeakPolarHBondContact O-CB 3.38Å; S429-S433 PolarHBondContact O-N 3.38Å; S429-S433 PolarHBondContact O-OG 2.89Å; H431-S433 VanDerWaalsContact C-N 3.29Å; H431-S433 PolarHBondContact O-N 2.85Å |
| 434 | K | 91.9 | Very high | 84 | Confident | 122 Ų | 122 | 86.4 Ų | 86.4 | 53% | 0.53 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -73 | -46.3 | 171 | -72.5 | 159.4 | -178.9 | 165.5 | 0 | 110.9 | D430 H431 L432 I436 K437 | D430-K434 WeakPolarHBondContact O-CD 3.49Å; D430-K434 VanDerWaalsContact O-CG 3.23Å; D430-K434 WeakPolarHBondContact O-CG 3.32Å; D430-K434 PolarHBondContact O-N 3.48Å; D430-K434 WeakPolarHBondContact OD2-CE 3.31Å; D430-K434 IonicContact OD2-NZ 2.6Å; D430-K434 PolarHBondContact OD2-NZ 3.5Å; H431-K434 PolarHBondContact O-N 3.12Å; L432-K434 VanDerWaalsContact C-N 3.32Å; L432-K434 PolarHBondContact O-N 3.02Å; K434-I436 PolarHBondContact O-N 3.44Å; K434-K437 WeakPolarHBondContact O-CB 3.24Å; K434-K437 PolarHBondContact O-N 3.47Å; K434-K437 VanDerWaalsContact O-N 3.08Å |
| 435 | H | 92.7 | Very high | 82 | Confident | 37 Ų | 37 | 88.4 Ų | 88.4 | 17% | 0.171 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 179.5 | 173.3 | 74.9 | 0 | 0 | 0 | 112.7 | C419 C422 F426 H431 L432 K437 V438 H439 | C419-H435 VanDerWaalsContact SG-CD2 3.55Å; C422-H435 PolarHBondContact SG-NE2 2.76Å; F426-H435 HydrophobicContact CE1-CB 4.13Å; F426-H435 HydrophobicContact CE2-CB 4.05Å; F426-H435 AromaticContact CE2-CD2 3.53Å; F426-H435 AromaticContact CE2-CG 3.79Å; F426-H435 HydrophobicContact CZ-CB 3.57Å; F426-H435 AromaticContact CZ-CD2 3.54Å; F426-H435 AromaticContact CZ-CG 3.34Å; F426-H435 AromaticContact CZ-ND1 3.77Å; H431-H435 WeakPolarHBondContact O-CB 3.38Å; H431-H435 PolarHBondContact O-N 2.62Å; L432-H435 PolarHBondContact O-N 3.48Å; H435-K437 PolarHBondContact O-N 3.48Å; H435-K437 VanDerWaalsContact O-N 3.09Å; H435-V438 VanDerWaalsContact O-CB 3.28Å; H435-V438 WeakPolarHBondContact O-CB 3.12Å; H435-V438 PolarHBondContact O-N 3.31Å; H435-H439 AromaticContact CD2-NE2 3.75Å; H435-H439 AromaticContact CE1-NE2 3.49Å; H435-H439 PolarHBondContact CE1-NE2 2.95Å; H435-H439 AromaticContact NE2-CD2 3.79Å; H435-H439 AromaticContact NE2-CE1 3.97Å; H435-H439 AromaticContact NE2-NE2 2.99Å; H435-H439 PolarHBondContact NE2-NE2 3.17Å |
| 436 | I | 91.1 | Very high | 79.8 | Confident | 39 Ų | 39 | 93.4 Ų | 93.4 | 20% | 0.2 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -58.6 | -23.2 | 175.1 | -74.3 | 170.5 | 0 | 0 | 0 | 112.8 | L432 K434 V438 R440 | L432-I436 HydrophobicContact CD1-CD1 3.69Å; L432-I436 HydrophobicContact CD1-CG1 3.88Å; L432-I436 HydrophobicContact CD2-CD1 4.42Å; L432-I436 HydrophobicContact CG-CD1 3.78Å; L432-I436 HydrophobicContact CG-CG1 4.38Å; L432-I436 WeakPolarHBondContact O-CB 3.42Å; L432-I436 WeakPolarHBondContact O-CG1 3.47Å; L432-I436 PolarHBondContact O-N 2.95Å; K434-I436 PolarHBondContact O-N 3.44Å; I436-V438 VanDerWaalsContact C-N 3.35Å; I436-R440 PolarHBondContact O-N 2.83Å |
| 437 | K | 91.4 | Very high | 77.7 | Confident | 134 Ų | 134 | 95.4 Ų | 95.4 | 58% | 0.583 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -73.3 | -26.4 | 173.7 | -60.8 | 179.3 | -178.5 | -172.1 | 0 | 112.7 | K434 H435 H439 R440 F441 | K434-K437 WeakPolarHBondContact O-CB 3.24Å; K434-K437 PolarHBondContact O-N 3.47Å; K434-K437 VanDerWaalsContact O-N 3.08Å; H435-K437 PolarHBondContact O-N 3.48Å; H435-K437 VanDerWaalsContact O-N 3.09Å; K437-H439 VanDerWaalsContact C-N 3.32Å; K437-R440 PolarHBondContact O-N 2.6Å; K437-F441 PolarHBondContact O-N 3.5Å |
| 438 | V | 87.9 | Confident | 75.6 | Confident | 80 Ų | 80 | 100 Ų | 100 | 49% | 0.485 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 175.3 | -172.7 | 0 | 0 | 0 | 0 | 110.5 | H435 I436 R440 F441 P442 | H435-V438 VanDerWaalsContact O-CB 3.28Å; H435-V438 WeakPolarHBondContact O-CB 3.12Å; H435-V438 PolarHBondContact O-N 3.31Å; I436-V438 VanDerWaalsContact C-N 3.35Å; V438-R440 VanDerWaalsContact C-N 3.34Å; V438-F441 CarbonylContact O-C 3.57Å; V438-F441 PolarHBondContact O-N 3.18Å; V438-P442 VanDerWaalsContact O-N 3.12Å |
| 439 | H | 85.2 | Confident | 73.5 | Confident | 68 Ų | 68 | 105.3 Ų | 105.3 | 32% | 0.315 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.1 | -27.4 | 173.9 | -63.1 | -54.5 | 0 | 0 | 0 | 113.6 | V421 C422 H435 K437 | V421-H439 HydrophobicContact CG1-CB 4.17Å; V421-H439 HydrophobicContact CG2-CB 4.4Å; C422-H439 PolarHBondContact SG-CE1 2.97Å; C422-H439 PolarHBondContact SG-NE2 3.3Å; H435-H439 AromaticContact CD2-NE2 3.75Å; H435-H439 AromaticContact CE1-NE2 3.49Å; H435-H439 PolarHBondContact CE1-NE2 2.95Å; H435-H439 AromaticContact NE2-CD2 3.79Å; H435-H439 AromaticContact NE2-CE1 3.97Å; H435-H439 AromaticContact NE2-NE2 2.99Å; H435-H439 PolarHBondContact NE2-NE2 3.17Å; K437-H439 VanDerWaalsContact C-N 3.32Å |
| 440 | R | 76.4 | Confident | 71.2 | Confident | 143 Ų | 143 | 107.1 Ų | 107.1 | 54% | 0.54 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -78.4 | -26.9 | 172.3 | -78.8 | -176.1 | 167.1 | 84.2 | -10 | 113.3 | N304 I436 K437 V438 | N304-R440 PolarHBondContact OD1-NH2 2.81Å; I436-R440 PolarHBondContact O-N 2.83Å; K437-R440 PolarHBondContact O-N 2.6Å; V438-R440 VanDerWaalsContact C-N 3.34Å |
| 441 | F | 66.8 | Low | 69 | Low | 159 Ų | 159 | 109.7 Ų | 109.7 | 70% | 0.697 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -133.3 | 70.8 | -179.5 | -58.4 | -72.5 | 0 | 0 | 0 | 110.2 | K437 V438 R443 | K437-F441 PolarHBondContact O-N 3.5Å; V438-F441 CarbonylContact O-C 3.57Å; V438-F441 PolarHBondContact O-N 3.18Å; F441-R443 PolarHBondContact O-N 3.19Å |
| 442 | P | 60.3 | Low | 66.6 | Low | 99 Ų | 99 | 118.4 Ų | 118.4 | 64% | 0.643 | 61% | 0.611 | S | S | * | * | trans | -57.8 | 129.5 | 171.4 | 25.4 | -33.8 | 0 | 0 | 0 | 108.6 | V438 S444 | V438-P442 VanDerWaalsContact O-N 3.12Å; P442-S444 PolarHBondContact O-N 3.15Å | ||
| 443 | R | 55.9 | Low | 65.2 | Low | 233 Ų | 233 | 123.2 Ų | 123.2 | 88% | 0.879 | 64% | 0.635 | S | S | * | * | trans | -63 | 108.3 | 174.4 | -80.8 | -176.7 | 162.3 | 98 | -4.6 | 108.4 | F441 N445 | F441-R443 PolarHBondContact O-N 3.19Å; R443-N445 PolarHBondContact O-N 3.07Å | ||
| 444 | S | 55.6 | Low | 63.8 | Low | 112 Ų | 112 | 126.1 Ų | 126.1 | 78% | 0.783 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -59 | 124.9 | 176.1 | 39.9 | 0 | 0 | 0 | 0 | 110 | P442 | P442-S444 PolarHBondContact O-N 3.15Š|
| 445 | N | 48.2 | Very low | 62.2 | Low | 141 Ų | 141 | 126.3 Ų | 126.3 | 75% | 0.754 | 65% | 0.649 | S | S | * | * | trans | 45.7 | 84.8 | 172.2 | -69.6 | -7.7 | 0 | 0 | 0 | 116.8 | R443 T447 | R443-N445 PolarHBondContact O-N 3.07Å; N445-T447 HydrophobicContact CB-CG2 4.2Å; N445-T447 PolarHBondContact O-N 2.71Å | ||
| 446 | R | 46.6 | Very low | 60.4 | Low | 230 Ų | 230 | 131.5 Ų | 131.5 | 87% | 0.868 | 68% | 0.677 | S | S | * | * | trans | -72.4 | 92.6 | 133 | -179.8 | 179.9 | -79.8 | -173.2 | -4.4 | 106.2 | V448 | R446-V448 PolarHBondContact O-N 2.63Š| ||
| 447 | T | 44.8 | Very low | 58.5 | Low | 85 Ų | 85 | 137.3 Ų | 137.3 | 52% | 0.521 | 71% | 0.707 | S | S | . | * | trans | -60.3 | 106.5 | 175.2 | 31.9 | 0 | 0 | 0 | 0 | 109.4 | N445 H449 | N445-T447 HydrophobicContact CB-CG2 4.2Å; N445-T447 PolarHBondContact O-N 2.71Å; T447-H449 VanDerWaalsContact C-N 3.31Å; T447-H449 PolarHBondContact O-N 3.38Å; T447-H449 PolarHBondContact O-ND1 3.08Å; T447-H449 VanDerWaalsContact O-ND1 3.1Å; T447-H449 PolarHBondContact OG1-CE1 3.14Å | ||
| 448 | V | 45.3 | Very low | 56.3 | Low | 122 Ų | 122 | 137.5 Ų | 137.5 | 74% | 0.739 | 72% | 0.716 | S | S | * | * | trans | -67.1 | 96.5 | 170.5 | -178 | 0 | 0 | 0 | 0 | 107.1 | R446 S450 | R446-V448 PolarHBondContact O-N 2.63Å; V448-S450 PolarHBondContact O-N 3.21Å | ||
| 449 | H | 43.7 | Very low | 54 | Low | 163 Ų | 163 | 141.6 Ų | 141.6 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | -73.5 | 83.8 | 165.1 | -71.3 | 72.8 | 0 | 0 | 0 | 106.9 | T447 A451 | T447-H449 VanDerWaalsContact C-N 3.31Å; T447-H449 PolarHBondContact O-N 3.38Å; T447-H449 PolarHBondContact O-ND1 3.08Å; T447-H449 VanDerWaalsContact O-ND1 3.1Å; T447-H449 PolarHBondContact OG1-CE1 3.14Å; H449-A451 VanDerWaalsContact C-N 3.31Å; H449-A451 PolarHBondContact O-N 3.43Å | ||
| 450 | S | 41.8 | Very low | 51.6 | Low | 99 Ų | 99 | 147.3 Ų | 147.3 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | -61.9 | 99.3 | 162.1 | -65.1 | 0 | 0 | 0 | 0 | 107.3 | V448 N452 | V448-S450 PolarHBondContact O-N 3.21Å; S450-N452 PolarHBondContact O-N 3.25Å | ||
| 451 | A | 44.3 | Very low | 49.6 | Very low | 104 Ų | 104 | 147.7 Ų | 147.7 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -65.5 | 127 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | H449 | H449-A451 VanDerWaalsContact C-N 3.31Å; H449-A451 PolarHBondContact O-N 3.43Å | ||
| 452 | N | 41.7 | Very low | 48 | Very low | 225 Ų | 225 | 146.6 Ų | 146.6 | 100% | 1.203 | 79% | 0.791 | S | S | * | * | trans | -148.1 | 0 | -177.8 | -178.2 | 97.2 | 0 | 0 | 0 | 108.4 | S450 | S450-N452 PolarHBondContact O-N 3.25Š|
Retrieved 452 of 452 residues in 143.9 ms
(Link to these results)