| 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 | 48 | Very low | 43.5 | Very low | 239 Ų | 239 | 140.2 Ų | 140.2 | 100% | 1.177 | 77% | 0.772 | S | S | * | * | 0 | 155.3 | 0 | -82.2 | 50.9 | 143.1 | 0 | 0 | 109.1 | |||||
| 2 | S | 36.8 | Very low | 43.5 | Very low | 100 Ų | 100 | 147.8 Ų | 147.8 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | -85.4 | 144.5 | 175.3 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 3 | S | 46.3 | Very low | 43.2 | Very low | 74 Ų | 74 | 153.3 Ų | 153.3 | 52% | 0.517 | 79% | 0.786 | S | S | . | * | trans | 59.1 | 167.4 | 153.2 | 52.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 4 | Y | 45.9 | Very low | 44 | Very low | 192 Ų | 192 | 150.4 Ų | 150.4 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | cis | -140.4 | 148.5 | 9.6 | -52.5 | -106.1 | 0 | 0 | 0 | 109.5 | ||||
| 5 | F | 46.7 | Very low | 43.6 | Very low | 219 Ų | 219 | 151.8 Ų | 151.8 | 96% | 0.961 | 79% | 0.791 | S | S | * | * | trans | -123.7 | 94.6 | 156.6 | -106.5 | -80.8 | 0 | 0 | 0 | 108.7 | ||||
| 6 | V | 50.2 | Low | 43.5 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | -87 | 123.5 | 177.9 | 169.4 | 0 | 0 | 0 | 0 | 109 | S8 | V6-S8 PolarHBondContact O-N 3.31Š| ||
| 7 | N | 39.7 | Very low | 43.9 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | -70.3 | 110.3 | 171.6 | 171 | 97.7 | 0 | 0 | 0 | 110.4 | ||||
| 8 | S | 42.9 | Very low | 43.9 | Very low | 91 Ų | 91 | 144.7 Ų | 144.7 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | trans | -140.4 | 102.6 | 166.8 | -84.4 | 0 | 0 | 0 | 0 | 110.8 | V6 S10 | V6-S8 PolarHBondContact O-N 3.31Å; S8-S10 PolarHBondContact O-N 2.88Å | ||
| 9 | F | 39.8 | Very low | 43.6 | Very low | 201 Ų | 201 | 148.8 Ų | 148.8 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | -81.4 | 63.7 | 179.5 | -145.2 | -92.7 | 0 | 0 | 0 | 110.6 | G11 | F9-G11 PolarHBondContact O-N 3.04Š| ||
| 10 | S | 40.2 | Very low | 44 | Very low | 96 Ų | 96 | 150.3 Ų | 150.3 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | trans | -79.3 | 85.5 | -176.2 | 56 | 0 | 0 | 0 | 0 | 111.8 | S8 R12 | S8-S10 PolarHBondContact O-N 2.88Å; S10-R12 PolarHBondContact O-N 2.97Å | ||
| 11 | G | 42.4 | Very low | 44.1 | Very low | 70 Ų | 70 | 151.3 Ų | 151.3 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | -64 | 88.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F9 | F9-G11 PolarHBondContact O-N 3.04Š| ||
| 12 | R | 43.5 | Very low | 43.7 | Very low | 232 Ų | 232 | 145.8 Ų | 145.8 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | trans | -80.4 | 115.1 | 169.1 | -74.5 | -74.8 | -168 | 165.2 | 2.5 | 109.2 | S10 | S10-R12 PolarHBondContact O-N 2.97Š| ||
| 13 | Y | 39 | Very low | 43.9 | Very low | 219 Ų | 219 | 148.5 Ų | 148.5 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | -68.3 | 132.9 | 165.1 | -81.6 | -93.7 | 0 | 0 | 0 | 110.2 | ||||
| 14 | P | 55 | Low | 43.4 | Very low | 112 Ų | 112 | 154.9 Ų | 154.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -95.1 | 111.2 | 169.4 | 33.7 | -28.1 | 0 | 0 | 0 | 111.1 | ||||
| 15 | N | 38.3 | Very low | 42.7 | Very low | 172 Ų | 172 | 148.7 Ų | 148.7 | 92% | 0.92 | 78% | 0.784 | S | S | * | * | trans | 175.5 | 135.4 | 165.9 | -86.2 | -37 | 0 | 0 | 0 | 103.8 | ||||
| 16 | G | 41 | Very low | 42.1 | Very low | 66 Ų | 66 | 143.3 Ų | 143.3 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | cis | 167.2 | 150.2 | 9.2 | 0 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 17 | P | 50.4 | Low | 41.4 | Very low | 111 Ų | 111 | 143 Ų | 143 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | trans | -78.3 | 153.1 | -160.3 | 30 | -35.9 | 0 | 0 | 0 | 115.5 | ||||
| 18 | D | 43.9 | Very low | 41.1 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | 47.7 | 101.7 | 147.3 | -53.3 | -22.6 | 0 | 0 | 0 | 120.2 | ||||
| 19 | Y | 39.4 | Very low | 40.6 | Very low | 224 Ų | 224 | 144 Ų | 144 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | trans | -120.1 | 111.4 | 146.2 | -81.4 | -90.3 | 0 | 0 | 0 | 109.5 | ||||
| 20 | Q | 50 | Low | 40.4 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -73.3 | 133.1 | 163.8 | -64.1 | -173.2 | 20.3 | 0 | 0 | 109.1 | ||||
| 21 | L | 46.1 | Very low | 40.4 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -116.6 | 124.7 | 165 | -82.4 | 170.6 | 0 | 0 | 0 | 109.3 | ||||
| 22 | L | 41 | Very low | 40.3 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 64% | 0.644 | 80% | 0.795 | S | S | * | * | trans | -71 | 137.8 | -175.1 | -91.9 | 60.4 | 0 | 0 | 0 | 111.5 | Y24 | L22-Y24 HydrophobicContact CB-CD2 4.2Å; L22-Y24 HydrophobicContact CB-CE2 4.18Å; L22-Y24 HydrophobicContact CD2-CE2 4.04Å; L22-Y24 PolarHBondContact O-N 3.27Å | ||
| 23 | N | 39.2 | Very low | 40.2 | Very low | 158 Ų | 158 | 140.2 Ų | 140.2 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -76.9 | 103.2 | 166.8 | 178.4 | 39.2 | 0 | 0 | 0 | 110.2 | ||||
| 24 | Y | 36.7 | Very low | 40 | Very low | 207 Ų | 207 | 133.3 Ų | 133.3 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -99.7 | 126.4 | 161.8 | -84.4 | -87.1 | 0 | 0 | 0 | 108.8 | L22 | L22-Y24 HydrophobicContact CB-CD2 4.2Å; L22-Y24 HydrophobicContact CB-CE2 4.18Å; L22-Y24 HydrophobicContact CD2-CE2 4.04Å; L22-Y24 PolarHBondContact O-N 3.27Å | ||
| 25 | G | 32 | Very low | 39.2 | Very low | 62 Ų | 62 | 134.5 Ų | 134.5 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | trans | -117 | -169.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 26 | A | 32.9 | Very low | 39.4 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | trans | 68.1 | 136.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 27 | S | 36.8 | Very low | 39.5 | Very low | 108 Ų | 108 | 145.5 Ų | 145.5 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | cis | -153.5 | 179 | 34.5 | 54.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 28 | N | 31.8 | Very low | 38.8 | Very low | 143 Ų | 143 | 147.3 Ų | 147.3 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | trans | 71.6 | 99.2 | 169.1 | -71.4 | -0.2 | 0 | 0 | 0 | 120.1 | ||||
| 29 | S | 34.3 | Very low | 38.9 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | 65.5 | 138.3 | 116.7 | -56.9 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 30 | A | 35.5 | Very low | 39.1 | Very low | 77 Ų | 77 | 139.9 Ų | 139.9 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | cis | -159.1 | 167.3 | 5.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 31 | M | 40.3 | Very low | 39 | Very low | 179 Ų | 179 | 137 Ų | 137 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | 23.8 | 126.9 | 163.1 | -35.8 | -44.6 | 166.7 | 0 | 0 | 118 | ||||
| 32 | N | 39 | Very low | 38.7 | Very low | 158 Ų | 158 | 133.3 Ų | 133.3 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | cis | -164.4 | 161 | 49.3 | -174 | 24.2 | 0 | 0 | 0 | 111.5 | ||||
| 33 | S | 41.9 | Very low | 39.1 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -106.8 | 142.9 | -176.8 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 34 | G | 34 | Very low | 39.3 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | 98.8 | 163.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 35 | T | 38.7 | Very low | 39.7 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | cis | -145.3 | 157.2 | -3.7 | 45.3 | 0 | 0 | 0 | 0 | 111.1 | R37 | T35-R37 PolarHBondContact O-N 2.68Š| ||
| 36 | Y | 42.6 | Very low | 40.1 | Very low | 236 Ų | 236 | 135.2 Ų | 135.2 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -71.5 | 121.4 | 168.2 | -120 | -101.2 | 0 | 0 | 0 | 109.9 | ||||
| 37 | R | 43.7 | Very low | 40.4 | Very low | 234 Ų | 234 | 134.1 Ų | 134.1 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -147.5 | 102.2 | 157.5 | -89.1 | -155.1 | 167.2 | -167.5 | -4.9 | 112.3 | T35 | T35-R37 PolarHBondContact O-N 2.68Š| ||
| 38 | D | 36.1 | Very low | 41 | Very low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | 35.4 | 151.7 | 132.9 | -153.8 | 18.5 | 0 | 0 | 0 | 122.7 | ||||
| 39 | S | 45.5 | Very low | 41.4 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -106.5 | 116.8 | -178.2 | -59.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 40 | S | 43.6 | Very low | 42.2 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -177.7 | 161.4 | 142.3 | 38.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 41 | S | 46.7 | Very low | 42.6 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | 52.4 | 95.4 | 166.8 | 58.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 42 | A | 40.1 | Very low | 42.4 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -153.7 | 103.2 | 148.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | M44 | A42-M44 PolarHBondContact O-N 2.75Š| ||
| 43 | T | 51 | Low | 42.5 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | trans | -76.8 | 112.8 | 172.3 | -57 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 44 | M | 43.4 | Very low | 42.6 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | -104.4 | 100.3 | 176.2 | -78 | -66.1 | -70.7 | 0 | 0 | 111.8 | A42 H46 | A42-M44 PolarHBondContact O-N 2.75Å; M44-H46 PolarHBondContact O-N 3.15Å | ||
| 45 | H | 43.3 | Very low | 42.7 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | trans | -73.2 | 109.8 | 168.6 | -72 | -107.3 | 0 | 0 | 0 | 110 | ||||
| 46 | H | 41.1 | Very low | 43.1 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -97.1 | 95.7 | 170.6 | -77.3 | -82.8 | 0 | 0 | 0 | 111 | M44 | M44-H46 PolarHBondContact O-N 3.15Š| ||
| 47 | A | 39.8 | Very low | 43.6 | Very low | 83 Ų | 83 | 133.9 Ų | 133.9 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | trans | -80.5 | 145.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 48 | T | 49.3 | Very low | 44.2 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 91% | 0.908 | 77% | 0.766 | S | S | * | * | trans | 50.4 | 93.3 | 158.8 | 54 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 49 | G | 39.7 | Very low | 45 | Very low | 61 Ų | 61 | 129.6 Ų | 129.6 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | trans | -144.1 | 18.3 | 179 | 0 | 0 | 0 | 0 | 0 | 117.2 | Y51 | G49-Y51 WeakPolarHBondContact O-CD1 3.29Å; G49-Y51 PolarHBondContact O-N 3.36Å | ||
| 50 | S | 51.6 | Low | 45.2 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | 38.3 | 63.6 | 164.8 | -168.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 51 | Y | 43.1 | Very low | 45.5 | Very low | 216 Ų | 216 | 132 Ų | 132 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | trans | -146.4 | 80.2 | 147.5 | 37.5 | -93.5 | 0 | 0 | 0 | 111.6 | G49 Y53 | G49-Y51 WeakPolarHBondContact O-CD1 3.29Å; G49-Y51 PolarHBondContact O-N 3.36Å; Y51-Y53 PolarHBondContact O-N 3.05Å; Y51-Y53 VanDerWaalsContact O-N 3.12Å | ||
| 52 | G | 35.5 | Very low | 45.2 | Very low | 77 Ų | 77 | 132.5 Ų | 132.5 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | -75.5 | 95.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S54 | G52-S54 PolarHBondContact O-N 3.28Š| ||
| 53 | Y | 41.6 | Very low | 45.4 | Very low | 206 Ų | 206 | 132.9 Ų | 132.9 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | trans | -90.3 | 80.9 | 165.5 | -156.5 | -85.7 | 0 | 0 | 0 | 109.7 | Y51 Y55 | Y51-Y53 PolarHBondContact O-N 3.05Å; Y51-Y53 VanDerWaalsContact O-N 3.12Å; Y53-Y55 VanDerWaalsContact C-N 3.34Å; Y53-Y55 HydrophobicContact CE1-CD2 4.3Å; Y53-Y55 PolarHBondContact O-N 3.19Å | ||
| 54 | S | 44.7 | Very low | 44.9 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | trans | -67.3 | 86.5 | -178.1 | -62.7 | 0 | 0 | 0 | 0 | 112 | G52 N56 | G52-S54 PolarHBondContact O-N 3.28Å; S54-N56 VanDerWaalsContact C-N 3.3Å; S54-N56 PolarHBondContact O-N 2.98Å | ||
| 55 | Y | 36.6 | Very low | 44.8 | Very low | 200 Ų | 200 | 131.3 Ų | 131.3 | 78% | 0.784 | 74% | 0.738 | S | S | * | * | trans | -77 | 82.7 | 171 | -157.4 | -84.3 | 0 | 0 | 0 | 109.4 | Y53 G57 | Y53-Y55 VanDerWaalsContact C-N 3.34Å; Y53-Y55 HydrophobicContact CE1-CD2 4.3Å; Y53-Y55 PolarHBondContact O-N 3.19Å; Y55-G57 PolarHBondContact O-N 3.38Å; Y55-G57 VanDerWaalsContact O-N 3.07Å | ||
| 56 | N | 46.9 | Very low | 44.5 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | trans | -59 | 113.9 | 175.7 | -68.9 | -19.3 | 0 | 0 | 0 | 109.4 | S54 M58 | S54-N56 VanDerWaalsContact C-N 3.3Å; S54-N56 PolarHBondContact O-N 2.98Å; N56-M58 PolarHBondContact O-N 3.39Å | ||
| 57 | G | 52.7 | Low | 44.5 | Very low | 74 Ų | 74 | 120.8 Ų | 120.8 | 76% | 0.763 | 72% | 0.717 | S | S | * | * | trans | -67.3 | 94.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y55 D59 | Y55-G57 PolarHBondContact O-N 3.38Å; Y55-G57 VanDerWaalsContact O-N 3.07Å; G57-D59 PolarHBondContact O-N 2.87Å | ||
| 58 | M | 56.8 | Low | 44.5 | Very low | 157 Ų | 157 | 121 Ų | 121 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | trans | -79.6 | 93.9 | 171.9 | -59.8 | -66.6 | -172.4 | 0 | 0 | 108.9 | N56 | N56-M58 PolarHBondContact O-N 3.39Š| ||
| 59 | D | 52.8 | Low | 43.9 | Very low | 137 Ų | 137 | 117.4 Ų | 117.4 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | trans | -69.5 | 142.5 | 173.3 | -165.2 | 1.9 | 0 | 0 | 0 | 110.7 | G57 | G57-D59 PolarHBondContact O-N 2.87Š| ||
| 60 | L | 50.2 | Low | 43.9 | Very low | 155 Ų | 155 | 120.3 Ų | 120.3 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | trans | -109.4 | 41.2 | -166.4 | -76 | 171.8 | 0 | 0 | 0 | 112.8 | ||||
| 61 | T | 48.5 | Very low | 43.1 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 69% | 0.687 | 74% | 0.735 | S | S | * | * | trans | -85.4 | 119.5 | 174 | 48 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 62 | V | 41.4 | Very low | 42.5 | Very low | 130 Ų | 130 | 120.5 Ų | 120.5 | 79% | 0.788 | 73% | 0.731 | S | S | * | * | trans | -112.9 | 113.7 | -179.2 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 63 | T | 43.6 | Very low | 42.4 | Very low | 100 Ų | 100 | 121.6 Ų | 121.6 | 61% | 0.613 | 73% | 0.733 | S | S | * | * | trans | -115.1 | 150.9 | 173.5 | -56.6 | 0 | 0 | 0 | 0 | 109.6 | Q186 | T63-Q186 VanDerWaalsContact O-CD 3.27Å; T63-Q186 PolarHBondContact O-NE2 2.84Å; T63-Q186 PolarHBondContact O-OE1 3.04Å | ||
| 64 | S | 40.9 | Very low | 41.9 | Very low | 83 Ų | 83 | 119.9 Ų | 119.9 | 58% | 0.58 | 74% | 0.737 | S | S | * | * | trans | -122.2 | 170.3 | -168.2 | -73.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 65 | R | 40.6 | Very low | 41.6 | Very low | 147 Ų | 147 | 121.5 Ų | 121.5 | 56% | 0.555 | 74% | 0.743 | S | S | * | * | trans | 103.6 | 153.5 | 172.8 | -55.9 | 151.8 | 80.8 | -167.3 | 7.7 | 114.2 | A187 I188 | R65-A187 CarbonylContact C-O 2.9Å; R65-A187 PolarHBondContact O-N 2.96Å; R65-I188 HydrophobicContact CB-CB 4.13Å; R65-I188 HydrophobicContact CB-CD1 4.23Å; R65-I188 HydrophobicContact CB-CG1 3.83Å; R65-I188 HydrophobicContact CB-CG2 3.75Å; R65-I188 HydrophobicContact CG-CG2 4.45Å; R65-I188 VanDerWaalsContact CZ-CG2 3.45Å | ||
| 66 | G | 37.8 | Very low | 41.3 | Very low | 42 Ų | 42 | 115.6 Ų | 115.6 | 43% | 0.433 | 74% | 0.743 | S | S | . | * | cis | 142.7 | 90.3 | -7.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | A187 Q189 | G66-A187 CarbonylContact C-O 3.53Å; G66-A187 VanDerWaalsContact CA-O 3.27Å; G66-A187 WeakPolarHBondContact CA-O 3.48Å; G66-A187 PolarHBondContact N-O 3.43Å; G66-Q189 PolarHBondContact O-N 2.97Å; G66-Q189 VanDerWaalsContact O-N 3.11Å | ||
| 67 | G | 41.5 | Very low | 40.6 | Very low | 64 Ų | 64 | 118.9 Ų | 118.9 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | trans | 121.2 | 128.1 | 150.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | A187 | G67-A187 PolarHBondContact N-O 3.41Š| ||
| 68 | G | 38.5 | Very low | 39.8 | Very low | 88 Ų | 88 | 122.7 Ų | 122.7 | 91% | 0.907 | 75% | 0.752 | S | S | * | * | trans | 77.5 | 151.5 | 148 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 69 | G | 37.8 | Very low | 38.8 | Very low | 73 Ų | 73 | 124.1 Ų | 124.1 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | cis | 170.4 | 151.7 | -11.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 70 | S | 39.8 | Very low | 37.8 | Very low | 122 Ų | 122 | 121.2 Ų | 121.2 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | 59.2 | 116.2 | 149.4 | -54.6 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 71 | R | 32.9 | Very low | 36.9 | Very low | 252 Ų | 252 | 117.9 Ų | 117.9 | 95% | 0.951 | 76% | 0.759 | S | S | * | * | 175.1 | 158.4 | 128.8 | -97.8 | 169.4 | -174.7 | -174.9 | 2.4 | 110.8 | |||||
| 72 | A | 31.5 | Very low | 36 | Very low | 93 Ų | 93 | 116.6 Ų | 116.6 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | cis | 179.3 | 108.5 | -45.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 73 | A | 32.5 | Very low | 35.8 | Very low | 100 Ų | 100 | 116.3 Ų | 116.3 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | -165.2 | 123.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 74 | N | 31.9 | Very low | 35.4 | Very low | 169 Ų | 169 | 115.9 Ų | 115.9 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | trans | -158.3 | 134.2 | 166.4 | -137.3 | 8.2 | 0 | 0 | 0 | 108.6 | ||||
| 75 | T | 37.5 | Very low | 35.3 | Very low | 135 Ų | 135 | 118.9 Ų | 118.9 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | trans | -139.5 | 119.3 | -166.4 | 48.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 76 | G | 30.5 | Very low | 34.9 | Very low | 75 Ų | 75 | 118.6 Ų | 118.6 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 72.4 | 166.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 77 | E | 32.2 | Very low | 34.5 | Very low | 189 Ų | 189 | 122.6 Ų | 122.6 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | cis | -143 | 129 | -17.1 | -65.8 | -161.6 | 122.2 | 0 | 0 | 106.4 | ||||
| 78 | H | 35.9 | Very low | 34.6 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | 57.2 | 86.9 | 88.8 | -163.6 | 86.2 | 0 | 0 | 0 | 116.7 | |||||
| 79 | F | 35.7 | Very low | 34.8 | Very low | 187 Ų | 187 | 131 Ų | 131 | 82% | 0.82 | 81% | 0.811 | S | S | * | * | -173.8 | 142 | 126.6 | -96.4 | -72.6 | 0 | 0 | 0 | 104.8 | |||||
| 80 | G | 32.8 | Very low | 34.7 | Very low | 75 Ų | 75 | 131 Ų | 131 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | cis | 87.8 | 119 | 47.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 81 | G | 31.2 | Very low | 34.7 | Very low | 85 Ų | 85 | 135.8 Ų | 135.8 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | cis | 147.1 | 121.6 | 2.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 82 | G | 30.1 | Very low | 34.7 | Very low | 86 Ų | 86 | 126.8 Ų | 126.8 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -175.9 | 149.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 83 | S | 35.5 | Very low | 34.9 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -153.4 | 157.3 | -171.4 | -170.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 84 | A | 36.3 | Very low | 35.1 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | 65.1 | 154.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 85 | V | 38 | Very low | 35.4 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | cis | -129.3 | 176.7 | 15.9 | -72.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 86 | D | 32.8 | Very low | 36.4 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | -73.4 | 152.3 | 178.1 | -176.6 | 48.9 | 0 | 0 | 0 | 114.5 | ||||
| 87 | D | 30.2 | Very low | 36.5 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 67% | 0.674 | 80% | 0.799 | S | S | * | * | 176.5 | 143.5 | 113.1 | -164 | 4 | 0 | 0 | 0 | 112.2 | |||||
| 88 | S | 42.8 | Very low | 36.8 | Very low | 83 Ų | 83 | 134.7 Ų | 134.7 | 58% | 0.58 | 79% | 0.793 | S | S | * | * | trans | -26.2 | 138.4 | 171.5 | -44 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 89 | R | 43.8 | Very low | 36.5 | Very low | 245 Ų | 245 | 132.5 Ų | 132.5 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | 174.6 | 144.8 | 106 | -88.4 | 150.3 | -158 | -160.5 | 6.3 | 112.7 | |||||
| 90 | G | 35.3 | Very low | 36.7 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 105.5 | 65.8 | 153.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 91 | F | 38.4 | Very low | 36.9 | Very low | 221 Ų | 221 | 133.3 Ų | 133.3 | 97% | 0.969 | 80% | 0.797 | S | S | * | * | trans | -65.5 | 152.8 | 149.6 | -49.2 | -93.7 | 0 | 0 | 0 | 109.4 | ||||
| 92 | G | 33.1 | Very low | 36.9 | Very low | 64 Ų | 64 | 133.7 Ų | 133.7 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | cis | 155.5 | 166.1 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 93 | F | 36 | Very low | 37.3 | Very low | 189 Ų | 189 | 135 Ų | 135 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | 73.4 | 137.2 | 152.7 | -96.2 | -99 | 0 | 0 | 0 | 124.3 | ||||
| 94 | R | 37.1 | Very low | 38 | Very low | 200 Ų | 200 | 135 Ų | 135 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | 68.2 | 100.6 | 145.9 | -96.8 | 172.1 | -168.6 | -72.5 | -1.7 | 123 | ||||
| 95 | Q | 37.2 | Very low | 37.9 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | 30.1 | 152.9 | 107.9 | -82.6 | -169.5 | -16 | 0 | 0 | 123 | |||||
| 96 | P | 58.4 | Low | 37.9 | Very low | 116 Ų | 116 | 135 Ų | 135 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -107.6 | 169.9 | -160.9 | 42.5 | -36.7 | 0 | 0 | 0 | 116.4 | ||||
| 97 | V | 33.4 | Very low | 38.1 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -151.5 | 151.2 | 151.2 | -87.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 98 | S | 39.3 | Very low | 38.5 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -2.8 | 155.3 | 143.7 | -53.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 99 | C | 29.1 | Very low | 38.5 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 73% | 0.73 | 80% | 0.801 | S | S | * | * | cis | -172.2 | 160.6 | -7.3 | 47.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 100 | S | 40.4 | Very low | 38.1 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | 56 | 139.3 | 155.4 | -58.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 101 | L | 35.6 | Very low | 37.8 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | -177.2 | 148.5 | 123 | -100.3 | 167.1 | 0 | 0 | 0 | 115.2 | |||||
| 102 | A | 32.6 | Very low | 37.5 | Very low | 94 Ų | 94 | 124.2 Ų | 124.2 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | trans | 8.1 | 158.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 103 | S | 36.9 | Very low | 37.7 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -117.1 | 151.7 | 164.5 | 161.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 104 | P | 50.7 | Low | 37.8 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -125.5 | 179.2 | 135.3 | 37.2 | -27.1 | 0 | 0 | 0 | 110.5 | ||||
| 105 | G | 34.5 | Very low | 37.7 | Very low | 71 Ų | 71 | 125.8 Ų | 125.8 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | cis | 179.8 | 170.2 | -3.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 106 | N | 39 | Very low | 37.6 | Very low | 165 Ų | 165 | 122 Ų | 122 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | trans | -87.3 | 154.6 | -173.3 | -65.2 | -14.3 | 0 | 0 | 0 | 115.1 | ||||
| 107 | S | 36.8 | Very low | 36.5 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -171 | 130.7 | 135.6 | -85.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 108 | L | 38.4 | Very low | 36.6 | Very low | 153 Ų | 153 | 126.2 Ų | 126.2 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | 63.8 | 138 | 89.3 | -56.7 | 175.6 | 0 | 0 | 0 | 113.2 | |||||
| 109 | L | 41.3 | Very low | 36.3 | Very low | 163 Ų | 163 | 124.1 Ų | 124.1 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | cis | -141.5 | -175.7 | 22.6 | -75.7 | 172.7 | 0 | 0 | 0 | 109.3 | ||||
| 110 | A | 36.2 | Very low | 36.6 | Very low | 97 Ų | 97 | 124.6 Ų | 124.6 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | cis | -170.3 | -178.9 | -21.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 111 | G | 30.2 | Very low | 36.5 | Very low | 78 Ų | 78 | 127.3 Ų | 127.3 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | cis | 170.8 | 176.2 | -2.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 112 | G | 30.7 | Very low | 36.2 | Very low | 71 Ų | 71 | 128.8 Ų | 128.8 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | trans | 111.5 | 116.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 113 | R | 38 | Very low | 36.3 | Very low | 222 Ų | 222 | 128 Ų | 128 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | 71.4 | 131.6 | 62.8 | -64 | 179 | 74.3 | 156 | 7.4 | 113.3 | |||||
| 114 | E | 37 | Very low | 36.4 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 60% | 0.598 | 76% | 0.756 | S | S | * | * | cis | -167 | -174.2 | -12.7 | 58.5 | -168.5 | 93.5 | 0 | 0 | 111.5 | ||||
| 115 | N | 35.2 | Very low | 37 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | 78.9 | 98.2 | 163.9 | -87.8 | -19.7 | 0 | 0 | 0 | 124.4 | ||||
| 116 | S | 36.6 | Very low | 37.7 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | 65.2 | 122.1 | 108.5 | 77.9 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 117 | K | 35 | Very low | 38 | Very low | 184 Ų | 184 | 127.9 Ų | 127.9 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | 89.2 | 135.4 | 127 | -153.8 | -173.9 | -178.5 | -178.6 | 0 | 121.2 | |||||
| 118 | L | 36.1 | Very low | 37.9 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | 67.2 | 147.5 | 174.8 | -62.3 | 126.9 | 0 | 0 | 0 | 116.2 | ||||
| 119 | G | 31.7 | Very low | 38 | Very low | 65 Ų | 65 | 133.5 Ų | 133.5 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | cis | 171.3 | 164.9 | -11.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 120 | T | 36.5 | Very low | 38.7 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | trans | 72.5 | 94.7 | 148.5 | -47 | 0 | 0 | 0 | 0 | 122 | ||||
| 121 | Q | 37.5 | Very low | 38.5 | Very low | 167 Ų | 167 | 130.6 Ų | 130.6 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | trans | 61.4 | 178.3 | 142.7 | -44.7 | 179.3 | 29 | 0 | 0 | 117.7 | ||||
| 122 | R | 30.3 | Very low | 39 | Very low | 200 Ų | 200 | 138.3 Ų | 138.3 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | cis | -156.5 | 155.9 | -2 | -151.8 | 176.2 | 170.7 | -90.7 | 8.5 | 112.4 | ||||
| 123 | S | 33.8 | Very low | 39.3 | Very low | 76 Ų | 76 | 140 Ų | 140 | 53% | 0.531 | 77% | 0.766 | S | S | . | * | trans | 46.3 | 111.6 | 150 | 52.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 124 | S | 38.8 | Very low | 39.3 | Very low | 118 Ų | 118 | 136 Ų | 136 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | 38.2 | 153.1 | 109.1 | -51.2 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 125 | P | 63.2 | Low | 39.4 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -101.3 | 178.8 | -168.2 | 42.4 | -38.3 | 0 | 0 | 0 | 115.2 | ||||
| 126 | P | 48.7 | Very low | 39.4 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | -108.3 | 158.5 | 161 | 38.3 | -29.4 | 0 | 0 | 0 | 114 | ||||
| 127 | S | 45.7 | Very low | 39.6 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -117.3 | 159.9 | 162.4 | -66.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 128 | E | 35 | Very low | 40.7 | Very low | 193 Ų | 193 | 133.9 Ų | 133.9 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | 169.3 | 168.9 | 116.3 | -85.5 | -150 | 98.5 | 0 | 0 | 113.5 | |||||
| 129 | Q | 40.5 | Very low | 40.8 | Very low | 179 Ų | 179 | 133.3 Ų | 133.3 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | -95.1 | -158.1 | -171 | -47.3 | -178.8 | -21.7 | 0 | 0 | 110.7 | ||||
| 130 | P | 55.7 | Low | 41.1 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | cis | -132.3 | 174.7 | -17.1 | 25.5 | -1.8 | 0 | 0 | 0 | 115.3 | ||||
| 131 | G | 32.2 | Very low | 41 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | -161.3 | 145.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 132 | R | 40.4 | Very low | 40.8 | Very low | 241 Ų | 241 | 136 Ų | 136 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -133.3 | 158.1 | -171.6 | -86.2 | -178 | 162.8 | -169.1 | -3.9 | 112.9 | ||||
| 133 | S | 38.4 | Very low | 41.1 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 75 | 154.9 | 155.1 | 87.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 134 | N | 37.3 | Very low | 41.2 | Very low | 137 Ų | 137 | 133 Ų | 133 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | cis | -169.3 | 154.7 | -23.3 | -114.5 | 6.9 | 0 | 0 | 0 | 109.5 | ||||
| 135 | L | 38.9 | Very low | 41.3 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | 63.6 | 164.2 | 161.9 | -58.8 | 161.4 | 0 | 0 | 0 | 114.5 | ||||
| 136 | S | 34.8 | Very low | 39.9 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | cis | -148.3 | 160 | -8.7 | -133.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 137 | S | 42 | Very low | 39 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -72.3 | 163.2 | 162.8 | -52.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 138 | P | 56.9 | Low | 38.3 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | -129.8 | 153.5 | 125.8 | 36.9 | -30.8 | 0 | 0 | 0 | 113.4 | |||||
| 139 | N | 39.2 | Very low | 38.3 | Very low | 145 Ų | 145 | 127.2 Ų | 127.2 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | trans | -136.6 | 125.4 | 164 | 172.3 | 24.3 | 0 | 0 | 0 | 106.3 | ||||
| 140 | L | 37.2 | Very low | 38.1 | Very low | 170 Ų | 170 | 123.3 Ų | 123.3 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -164.6 | 143.7 | 171.5 | -111.3 | 156.6 | 0 | 0 | 0 | 110.8 | ||||
| 141 | S | 35.1 | Very low | 37.8 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -103.6 | 148.5 | -177.4 | -44.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 142 | S | 32.6 | Very low | 38 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 88% | 0.881 | 82% | 0.815 | S | S | * | * | trans | -158.6 | 150.7 | 149.4 | -163.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 143 | S | 37.1 | Very low | 37.5 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | trans | -103.7 | 177.4 | -174.5 | 51 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 144 | T | 35.8 | Very low | 37.6 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 69% | 0.693 | 80% | 0.803 | S | S | * | * | trans | 91.9 | 98.5 | 152.1 | -44.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 145 | M | 40 | Very low | 37.4 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | -153.4 | 138.5 | 123.7 | -73.8 | -52.5 | 173.6 | 0 | 0 | 106.1 | |||||
| 146 | A | 34 | Very low | 37.5 | Very low | 88 Ų | 88 | 135 Ų | 135 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | cis | 99.4 | 106.3 | 25.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 147 | G | 31.2 | Very low | 37.5 | Very low | 88 Ų | 88 | 137.9 Ų | 137.9 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | 87.8 | 139.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 148 | G | 30.4 | Very low | 37.2 | Very low | 84 Ų | 84 | 140 Ų | 140 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | cis | 142.4 | 92.1 | -12.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 149 | A | 35.7 | Very low | 36 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | trans | -157.7 | 157.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 150 | A | 35.7 | Very low | 35.8 | Very low | 96 Ų | 96 | 136.5 Ų | 136.5 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | -66.2 | 169.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 151 | R | 50 | Low | 36.2 | Very low | 251 Ų | 251 | 133.9 Ų | 133.9 | 95% | 0.947 | 80% | 0.799 | S | S | * | * | -146 | 169 | 56.1 | -59.6 | -179.3 | 80.7 | 176.3 | 2.8 | 114.6 | |||||
| 152 | R | 35.4 | Very low | 36 | Very low | 229 Ų | 229 | 135.5 Ų | 135.5 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -76.7 | 173.4 | -166.4 | -101.5 | -178.1 | 170.1 | -173.8 | -3.9 | 117.5 | ||||
| 153 | F | 29.7 | Very low | 36.3 | Very low | 171 Ų | 171 | 133.7 Ų | 133.7 | 75% | 0.75 | 79% | 0.787 | S | S | * | * | trans | 83 | 131.3 | 156 | -103 | -132.8 | 0 | 0 | 0 | 116.3 | ||||
| 154 | T | 40 | Very low | 36.5 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 66% | 0.656 | 79% | 0.793 | S | S | * | * | cis | -149.7 | 157.1 | 5.7 | -23.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 155 | E | 33.6 | Very low | 36.2 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -64.6 | 165.4 | 167.1 | -66.3 | 135.2 | 83.2 | 0 | 0 | 111.9 | ||||
| 156 | I | 41.2 | Very low | 36.1 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | -144 | 145.3 | 76.4 | -81.1 | 161.4 | 0 | 0 | 0 | 112.2 | |||||
| 157 | E | 34.5 | Very low | 36 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -81.2 | 143 | 178.8 | -57.5 | -175.7 | 121.1 | 0 | 0 | 112.3 | ||||
| 158 | D | 35.4 | Very low | 36.3 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | 75 | 141.6 | 99.9 | -166.7 | 45.1 | 0 | 0 | 0 | 117 | |||||
| 159 | A | 32.7 | Very low | 37.1 | Very low | 91 Ų | 91 | 145 Ų | 145 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | 170.7 | 110.9 | 151.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 160 | S | 33.9 | Very low | 37.2 | Very low | 110 Ų | 110 | 149.4 Ų | 149.4 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -96.3 | 170 | 142 | -129.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 161 | P | 46.8 | Very low | 37 | Very low | 115 Ų | 115 | 151.3 Ų | 151.3 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | cis | -150.3 | -174 | 24.9 | 46.4 | -26 | 0 | 0 | 0 | 117.8 | ||||
| 162 | D | 30.8 | Very low | 36.3 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | 68.1 | 146.2 | 140.2 | -134.9 | -2.7 | 0 | 0 | 0 | 126 | ||||
| 163 | S | 38.4 | Very low | 36.2 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 62% | 0.622 | 75% | 0.746 | S | S | * | * | trans | 52.8 | 120.6 | 147 | -74.4 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 164 | E | 40.5 | Very low | 36.6 | Very low | 177 Ų | 177 | 137.1 Ų | 137.1 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | 70.5 | 140.8 | 126.7 | -61.7 | -67.8 | 79.7 | 0 | 0 | 125.2 | |||||
| 165 | D | 29.9 | Very low | 36.2 | Very low | 139 Ų | 139 | 134.9 Ų | 134.9 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | 101.3 | 152 | 141 | -136.1 | 16.8 | 0 | 0 | 0 | 123.7 | ||||
| 166 | L | 39.2 | Very low | 36.2 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 71% | 0.707 | 76% | 0.755 | S | S | * | * | trans | -47.3 | 145.2 | -165.2 | -69.8 | 150.9 | 0 | 0 | 0 | 120.4 | ||||
| 167 | L | 32 | Very low | 36.2 | Very low | 164 Ų | 164 | 133 Ų | 133 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | -178.3 | 161.4 | 96.1 | -94.2 | 178.7 | 0 | 0 | 0 | 115.2 | |||||
| 168 | L | 37.1 | Very low | 36.4 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | -118.5 | 158.9 | 174.4 | -81.8 | 169.8 | 0 | 0 | 0 | 111.3 | ||||
| 169 | P | 46 | Very low | 36.3 | Very low | 122 Ų | 122 | 134 Ų | 134 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | -126.2 | 139.7 | 103.7 | 2 | 19.6 | 0 | 0 | 0 | 112 | |||||
| 170 | R | 38.7 | Very low | 36.7 | Very low | 199 Ų | 199 | 135.4 Ų | 135.4 | 75% | 0.751 | 76% | 0.758 | S | S | * | * | 71 | 114.7 | 54.9 | -171.2 | 178.1 | 162 | 167.8 | -4.5 | 110.7 | |||||
| 171 | E | 30.3 | Very low | 36.6 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | -144 | 157.7 | 63.3 | -87.2 | -66.5 | -177.5 | 0 | 0 | 117 | |||||
| 172 | A | 36.1 | Very low | 36.3 | Very low | 87 Ų | 87 | 140.3 Ų | 140.3 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | trans | 37 | 152 | 142.9 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 173 | S | 33.6 | Very low | 36.3 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 55% | 0.552 | 77% | 0.767 | S | S | * | * | cis | -174.1 | 160.2 | -26 | -165.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 174 | H | 38.1 | Very low | 36.2 | Very low | 186 Ų | 186 | 141.6 Ų | 141.6 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | 62 | 151.9 | 166.4 | -46.5 | -63.2 | 0 | 0 | 0 | 118.4 | ||||
| 175 | G | 30.6 | Very low | 35.7 | Very low | 61 Ų | 61 | 138.4 Ų | 138.4 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | cis | 161.9 | 132.4 | -10.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 176 | S | 33.7 | Very low | 35.9 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | 57.2 | 121 | 160 | 52.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 177 | N | 41.2 | Very low | 35.5 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 147.4 | 153.5 | -77.4 | -33.7 | 0 | 0 | 0 | 112.2 | ||
| 178 | P | 39.9 | Very low | 35.5 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 81% | 0.805 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 145.6 | 148.9 | -8.6 | 27.5 | 0 | 0 | 0 | 112 | ||
| 179 | R | 33.3 | Very low | 35.3 | Very low | 217 Ų | 217 | 130.2 Ų | 130.2 | 82% | 0.819 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 141.2 | 173.7 | 170.7 | -175 | 168.7 | -155.4 | -2.8 | 109.4 | ||
| 180 | P | 39.6 | Very low | 34.6 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 138.4 | 179.7 | 28.1 | -35.3 | 0 | 0 | 0 | 111.9 | ||
| 181 | Q | 33.6 | Very low | 34.4 | Very low | 184 Ų | 184 | 131.5 Ų | 131.5 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | trans | -134.8 | 125.1 | 164.8 | -70.8 | -160.7 | 88.1 | 0 | 0 | 110.3 | ||||
| 182 | T | 39.4 | Very low | 34.3 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | trans | -90.4 | 135.8 | 168.2 | 45.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 183 | G | 30.5 | Very low | 34.2 | Very low | 72 Ų | 72 | 133.4 Ų | 133.4 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | trans | -134.2 | 154.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 184 | H | 36.8 | Very low | 34.5 | Very low | 190 Ų | 190 | 135.4 Ų | 135.4 | 88% | 0.88 | 77% | 0.766 | S | S | * | * | trans | -134.2 | 134.5 | -179.4 | -75 | -6.8 | 0 | 0 | 0 | 111.4 | ||||
| 185 | S | 30.8 | Very low | 34.9 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -170.6 | 118.9 | 156.2 | 46.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 186 | Q | 32.8 | Very low | 35.3 | Very low | 125 Ų | 125 | 135 Ų | 135 | 58% | 0.584 | 78% | 0.777 | S | S | * | * | 69.4 | 124 | 73.9 | -71.5 | -166.5 | 50.8 | 0 | 0 | 115.1 | T63 | T63-Q186 VanDerWaalsContact O-CD 3.27Å; T63-Q186 PolarHBondContact O-NE2 2.84Å; T63-Q186 PolarHBondContact O-OE1 3.04Å | |||
| 187 | A | 30.8 | Very low | 35.2 | Very low | 66 Ų | 66 | 132.6 Ų | 132.6 | 55% | 0.545 | 77% | 0.772 | S | S | . | * | trans | -177.1 | 130.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | R65 G66 G67 | R65-A187 CarbonylContact C-O 2.9Å; R65-A187 PolarHBondContact O-N 2.96Å; G66-A187 CarbonylContact C-O 3.53Å; G66-A187 VanDerWaalsContact CA-O 3.27Å; G66-A187 WeakPolarHBondContact CA-O 3.48Å; G66-A187 PolarHBondContact N-O 3.43Å; G67-A187 PolarHBondContact N-O 3.41Å | ||
| 188 | I | 32.4 | Very low | 35.1 | Very low | 69 Ų | 69 | 131 Ų | 131 | 35% | 0.354 | 77% | 0.774 | S | S | . | * | trans | -111.8 | 143.4 | -156.2 | -48.9 | -173.3 | 0 | 0 | 0 | 113.5 | R65 | R65-I188 HydrophobicContact CB-CB 4.13Å; R65-I188 HydrophobicContact CB-CD1 4.23Å; R65-I188 HydrophobicContact CB-CG1 3.83Å; R65-I188 HydrophobicContact CB-CG2 3.75Å; R65-I188 HydrophobicContact CG-CG2 4.45Å; R65-I188 VanDerWaalsContact CZ-CG2 3.45Å | ||
| 189 | Q | 33.9 | Very low | 35.3 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -173.7 | 130.6 | 137.9 | -100.6 | 152 | 102.6 | 0 | 0 | 112.8 | G66 | G66-Q189 PolarHBondContact O-N 2.97Å; G66-Q189 VanDerWaalsContact O-N 3.11Å | ||
| 190 | K | 31 | Very low | 35.5 | Very low | 153 Ų | 153 | 124.4 Ų | 124.4 | 67% | 0.665 | 78% | 0.776 | S | S | * | * | 73.6 | 117 | 81.6 | -86.9 | -160.2 | 170.9 | -164.7 | 0 | 114.9 | |||||
| 191 | Q | 34.1 | Very low | 35.9 | Very low | 195 Ų | 195 | 123 Ų | 123 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | -159.1 | 171.9 | 120.1 | -114.3 | 172.8 | -6.6 | 0 | 0 | 110.4 | |||||
| 192 | E | 29.1 | Very low | 36.1 | Very low | 184 Ų | 184 | 119.4 Ų | 119.4 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -113.6 | 160.7 | -163.5 | -66.4 | 163.5 | 122.1 | 0 | 0 | 112.3 | ||||
| 193 | G | 32.6 | Very low | 36.6 | Very low | 79 Ų | 79 | 122 Ų | 122 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | trans | 172 | 76 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 194 | S | 39.5 | Very low | 37.1 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -82 | 153.6 | 166.1 | -57 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 195 | P | 47.4 | Very low | 37.9 | Very low | 129 Ų | 129 | 117.7 Ų | 117.7 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | -137.1 | 178.4 | 93.3 | 36.2 | -22.5 | 0 | 0 | 0 | 115 | |||||
| 196 | A | 38.1 | Very low | 38.7 | Very low | 108 Ų | 108 | 118.9 Ų | 118.9 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -61.4 | 156.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 197 | G | 32.9 | Very low | 40 | Very low | 72 Ų | 72 | 117.3 Ų | 117.3 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | -159.9 | 56.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 198 | S | 38.6 | Very low | 41.4 | Very low | 132 Ų | 132 | 121.2 Ų | 121.2 | 92% | 0.923 | 79% | 0.785 | S | S | * | * | trans | 65.3 | 157.2 | 163.4 | -61.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 199 | A | 44 | Very low | 42.8 | Very low | 105 Ų | 105 | 122.4 Ų | 122.4 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | trans | -106.2 | 143.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 200 | A | 38 | Very low | 44.9 | Very low | 97 Ų | 97 | 120.1 Ų | 120.1 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -150.5 | 114.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | S202 | A200-S202 PolarHBondContact O-N 3.28Š| ||
| 201 | G | 46.9 | Very low | 47.4 | Very low | 91 Ų | 91 | 120.1 Ų | 120.1 | 94% | 0.938 | 80% | 0.8 | S | S | * | * | trans | -73.7 | 116.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 202 | S | 39.3 | Very low | 50 | Low | 108 Ų | 108 | 116 Ų | 116 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -126.6 | 111 | 175.5 | -173.2 | 0 | 0 | 0 | 0 | 109.8 | A200 G204 | A200-S202 PolarHBondContact O-N 3.28Å; S202-G204 PolarHBondContact O-N 3.21Å | ||
| 203 | M | 48.9 | Very low | 52.8 | Low | 200 Ų | 200 | 112.9 Ų | 112.9 | 99% | 0.985 | 77% | 0.767 | S | S | * | * | trans | -77.7 | 64.2 | 170.5 | -69 | -177.5 | 66.9 | 0 | 0 | 109.9 | S205 | M203-S205 PolarHBondContact O-N 3.18Š| ||
| 204 | G | 42.3 | Very low | 55.4 | Low | 56 Ų | 56 | 113.2 Ų | 113.2 | 58% | 0.577 | 76% | 0.755 | S | S | * | * | trans | -72.3 | 116.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S202 D206 | S202-G204 PolarHBondContact O-N 3.21Å; G204-D206 PolarHBondContact O-N 3.41Å | ||
| 205 | S | 51.8 | Low | 57.7 | Low | 115 Ų | 115 | 116.9 Ų | 116.9 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -69.2 | 94 | 171 | 57.3 | 0 | 0 | 0 | 0 | 109.7 | M203 A207 | M203-S205 PolarHBondContact O-N 3.18Å; S205-A207 VanDerWaalsContact C-N 3.32Å; S205-A207 PolarHBondContact O-N 3.06Å | ||
| 206 | D | 48.1 | Very low | 59.6 | Low | 133 Ų | 133 | 115 Ų | 115 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | -73.7 | 84.2 | -170.7 | -161.9 | 20.7 | 0 | 0 | 0 | 111.2 | G204 Q208 | G204-D206 PolarHBondContact O-N 3.41Å; D206-Q208 VanDerWaalsContact C-N 3.28Å; D206-Q208 PolarHBondContact O-N 2.94Å; D206-Q208 PolarHBondContact OD2-NE2 3.26Å; D206-Q208 VanDerWaalsContact OD2-NE2 3.15Å | ||
| 207 | A | 59.4 | Low | 61.7 | Low | 92 Ų | 92 | 116.1 Ų | 116.1 | 76% | 0.76 | 71% | 0.712 | S | S | * | * | trans | -71.9 | 80.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | S205 S209 | S205-A207 VanDerWaalsContact C-N 3.32Å; S205-A207 PolarHBondContact O-N 3.06Å; A207-S209 PolarHBondContact O-N 2.86Å | ||
| 208 | Q | 60.3 | Low | 63.9 | Low | 148 Ų | 148 | 117.9 Ų | 117.9 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | trans | -42.8 | 106.3 | 179.8 | -66.8 | -63.3 | -52.8 | 0 | 0 | 111.8 | D206 | D206-Q208 VanDerWaalsContact C-N 3.28Å; D206-Q208 PolarHBondContact O-N 2.94Å; D206-Q208 PolarHBondContact OD2-NE2 3.26Å; D206-Q208 VanDerWaalsContact OD2-NE2 3.15Å | ||
| 209 | S | 63.3 | Low | 65.5 | Low | 94 Ų | 94 | 117.7 Ų | 117.7 | 66% | 0.657 | 69% | 0.688 | S | S | * | * | trans | -61.1 | 128.9 | 178.8 | 61.5 | 0 | 0 | 0 | 0 | 109.4 | A207 Q211 | A207-S209 PolarHBondContact O-N 2.86Å; S209-Q211 PolarHBondContact O-N 2.93Å | ||
| 210 | P | 77.9 | Confident | 66.4 | Low | 109 Ų | 109 | 121.4 Ų | 121.4 | 71% | 0.708 | 69% | 0.687 | S | S | * | * | trans | -62.5 | 134 | -171.4 | 24 | -34.1 | 0 | 0 | 0 | 111.3 | I212 | P210-I212 WeakPolarHBondContact O-CG1 3.21Å; P210-I212 PolarHBondContact O-N 3.06Å | ||
| 211 | Q | 83 | Confident | 67.5 | Low | 153 Ų | 153 | 121.3 Ų | 121.3 | 72% | 0.715 | 67% | 0.672 | S | S | * | * | trans | -67.2 | 98.1 | -177.5 | -71.9 | -69 | -14.2 | 0 | 0 | 111.5 | S209 F213 M216 | S209-Q211 PolarHBondContact O-N 2.93Å; Q211-F213 PolarHBondContact O-N 3.45Å; Q211-M216 WeakPolarHBondContact O-CE 3.37Å | ||
| 212 | I | 87.7 | Confident | 67.6 | Low | 109 Ų | 109 | 122.1 Ų | 122.1 | 56% | 0.559 | 66% | 0.663 | S | S | * | * | trans | -81.1 | 89.7 | -178 | -52.3 | -175.5 | 0 | 0 | 0 | 110.8 | P210 M216 R217 | P210-I212 WeakPolarHBondContact O-CG1 3.21Å; P210-I212 PolarHBondContact O-N 3.06Å; I212-M216 HydrophobicContact CG2-CB 4.08Å; I212-M216 HydrophobicContact CG2-CE 4.49Å; I212-R217 HydrophobicContact CG2-CG 3.83Å | ||
| 213 | F | 88.6 | Confident | 68.3 | Low | 119 Ų | 119 | 124.7 Ų | 124.7 | 52% | 0.522 | 66% | 0.663 | S | S | . | * | trans | -52.1 | 147.2 | 172.8 | -63.6 | -65.6 | 0 | 0 | 0 | 112.9 | Q211 W215 M216 | Q211-F213 PolarHBondContact O-N 3.45Å; F213-W215 HydrophobicContact CB-CG 4.49Å; F213-W215 AromaticContact CG-NE1 3.94Å; F213-W215 PolarHBondContact O-N 2.73Å; F213-M216 HydrophobicContact CB-CE 4.32Å; F213-M216 HydrophobicContact CB-CG 4.46Å; F213-M216 HydrophobicContact CD2-CE 3.88Å; F213-M216 PolarHBondContact O-N 3.28Å | ||
| 214 | P | 86.7 | Confident | 68.4 | Low | 85 Ų | 85 | 121.3 Ų | 121.3 | 55% | 0.552 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.5 | -30.9 | -176.7 | -32.2 | 37.1 | 0 | 0 | 0 | 116.5 | ||
| 215 | W | 88.2 | Confident | 68.6 | Low | 199 Ų | 199 | 127 Ų | 127 | 75% | 0.754 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -20.9 | 179.5 | 66.3 | -95 | 0 | 0 | 0 | 113.9 | F213 R217 | F213-W215 HydrophobicContact CB-CG 4.49Å; F213-W215 AromaticContact CG-NE1 3.94Å; F213-W215 PolarHBondContact O-N 2.73Å; W215-R217 VanDerWaalsContact C-N 3.31Å |
| 216 | M | 86.8 | Confident | 68.5 | Low | 90 Ų | 90 | 128.9 Ų | 128.9 | 44% | 0.443 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80 | -15.5 | 175 | -60.8 | -161.1 | -59.1 | 0 | 0 | 112.2 | Q211 I212 F213 | Q211-M216 WeakPolarHBondContact O-CE 3.37Å; I212-M216 HydrophobicContact CG2-CB 4.08Å; I212-M216 HydrophobicContact CG2-CE 4.49Å; F213-M216 HydrophobicContact CB-CE 4.32Å; F213-M216 HydrophobicContact CB-CG 4.46Å; F213-M216 HydrophobicContact CD2-CE 3.88Å; F213-M216 PolarHBondContact O-N 3.28Å |
| 217 | R | 82.9 | Confident | 68.7 | Low | 131 Ų | 131 | 124.7 Ų | 124.7 | 49% | 0.494 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -70.4 | 132.2 | 175.3 | -62.5 | -168.6 | -76 | 93.3 | -3.6 | 110.1 | I212 W215 L219 | I212-R217 HydrophobicContact CG2-CG 3.83Å; W215-R217 VanDerWaalsContact C-N 3.31Å; R217-L219 VanDerWaalsContact C-N 3.29Å; R217-L219 PolarHBondContact O-N 2.82Å |
| 218 | K | 79 | Confident | 68.5 | Low | 110 Ų | 110 | 126.5 Ų | 126.5 | 48% | 0.478 | 66% | 0.662 | S | S | . | * | trans | -78.4 | 68.5 | -170.5 | -158.6 | -175 | 175.2 | -170.1 | 0 | 112.2 | H220 I221 | K218-H220 PolarHBondContact O-N 2.65Å; K218-I221 HydrophobicContact CD-CD1 3.52Å; K218-I221 HydrophobicContact CD-CG1 4.3Å; K218-I221 VanDerWaalsContact CE-CD1 3.48Å; K218-I221 HydrophobicContact CG-CD1 3.82Å; K218-I221 PolarHBondContact O-N 2.8Å | ||
| 219 | L | 72.5 | Confident | 68.4 | Low | 127 Ų | 127 | 124.7 Ų | 124.7 | 67% | 0.665 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -8.9 | -171.2 | -63.8 | 177.8 | 0 | 0 | 0 | 117.2 | R217 | R217-L219 VanDerWaalsContact C-N 3.29Å; R217-L219 PolarHBondContact O-N 2.82Å |
| 220 | H | 62 | Low | 68.2 | Low | 184 Ų | 184 | 122 Ų | 122 | 85% | 0.852 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 3.1 | 175.3 | -60.5 | 129.8 | 0 | 0 | 0 | 113.9 | K218 | K218-H220 PolarHBondContact O-N 2.65Š|
| 221 | I | 61.6 | Low | 67.9 | Low | 95 Ų | 95 | 123.8 Ų | 123.8 | 49% | 0.487 | 64% | 0.64 | S | S | . | * | trans | -86.6 | 108.8 | 163.8 | -82.7 | 50.5 | 0 | 0 | 0 | 106.9 | K218 G230 | K218-I221 HydrophobicContact CD-CD1 3.52Å; K218-I221 HydrophobicContact CD-CG1 4.3Å; K218-I221 VanDerWaalsContact CE-CD1 3.48Å; K218-I221 HydrophobicContact CG-CD1 3.82Å; K218-I221 PolarHBondContact O-N 2.8Å; I221-G230 WeakPolarHBondContact CD1-O 3.46Å | ||
| 222 | S | 49.2 | Very low | 67.7 | Low | 107 Ų | 107 | 127.9 Ų | 127.9 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | trans | -146.3 | 108.6 | 161.8 | -168.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 223 | H | 54 | Low | 67.6 | Low | 163 Ų | 163 | 126.9 Ų | 126.9 | 76% | 0.755 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 60.8 | 160.7 | 163.3 | -119.5 | -99.9 | 0 | 0 | 0 | 120.7 | M225 | H223-M225 PolarHBondContact O-N 2.94Š|
| 224 | D | 50.8 | Low | 67.7 | Low | 129 Ų | 129 | 133 Ų | 133 | 69% | 0.69 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 74.3 | -24.5 | 163.5 | -52.2 | -24.8 | 0 | 0 | 0 | 121.4 | ||
| 225 | M | 46.3 | Very low | 68 | Low | 174 Ų | 174 | 135 Ų | 135 | 86% | 0.857 | 69% | 0.687 | S | S | * | * | trans | -124.3 | 102.8 | -177.7 | -67.5 | -66.8 | 142.9 | 0 | 0 | 114.1 | H223 G227 | H223-M225 PolarHBondContact O-N 2.94Å; M225-G227 PolarHBondContact O-N 3.43Å | ||
| 226 | T | 51 | Low | 68.4 | Low | 156 Ų | 156 | 129.6 Ų | 129.6 | 96% | 0.957 | 69% | 0.685 | S | S | * | * | trans | -64.6 | 114 | -177.9 | -55.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 227 | G | 52.2 | Low | 69 | Low | 45 Ų | 45 | 128.7 Ų | 128.7 | 46% | 0.464 | 68% | 0.677 | S | S | . | * | trans | 175.4 | 142.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M225 D229 | M225-G227 PolarHBondContact O-N 3.43Å; G227-D229 PolarHBondContact O-N 3.11Å | ||
| 228 | P | 55.6 | Low | 69.7 | Low | 130 Ų | 130 | 126.1 Ų | 126.1 | 84% | 0.844 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -30.9 | -176.8 | 24.2 | -33.3 | 0 | 0 | 0 | 112.8 | G230 | P228-G230 PolarHBondContact O-N 3.09Š|
| 229 | D | 56.8 | Low | 70.7 | Confident | 110 Ų | 110 | 130.6 Ų | 130.6 | 59% | 0.588 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 48.9 | -178.7 | -103.1 | -56.6 | 0 | 0 | 0 | 113.9 | G227 K231 | G227-D229 PolarHBondContact O-N 3.11Å; D229-K231 PolarHBondContact O-N 3.09Å; D229-K231 WeakPolarHBondContact OD1-CD 3.43Å; D229-K231 WeakPolarHBondContact OD1-CE 3.39Å; D229-K231 IonicContact OD1-NZ 3.77Å; D229-K231 PolarHBondContact OD1-NZ 3.37Å |
| 230 | G | 60.3 | Low | 71.9 | Confident | 36 Ų | 36 | 131 Ų | 131 | 37% | 0.371 | 68% | 0.683 | S | S | . | * | trans | -63.5 | 49.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | I221 P228 | I221-G230 WeakPolarHBondContact CD1-O 3.46Å; P228-G230 PolarHBondContact O-N 3.09Å | ||
| 231 | K | 71.9 | Confident | 73.6 | Confident | 148 Ų | 148 | 123.4 Ų | 123.4 | 64% | 0.643 | 65% | 0.648 | S | S | * | * | trans | -95.4 | 105.7 | 170.5 | -64.4 | 162 | -177.1 | 147 | 0 | 106.9 | D229 A233 | D229-K231 PolarHBondContact O-N 3.09Å; D229-K231 WeakPolarHBondContact OD1-CD 3.43Å; D229-K231 WeakPolarHBondContact OD1-CE 3.39Å; D229-K231 IonicContact OD1-NZ 3.77Å; D229-K231 PolarHBondContact OD1-NZ 3.37Å; K231-A233 PolarHBondContact O-N 3.35Å | ||
| 232 | R | 78.3 | Confident | 75.4 | Confident | 239 Ų | 239 | 121.3 Ų | 121.3 | 90% | 0.902 | 64% | 0.64 | S | S | * | * | trans | -55.2 | 113.8 | 177.1 | -178.1 | 178.3 | -177.5 | 151.2 | 7.6 | 110.4 | ||||
| 233 | A | 85.2 | Confident | 77.7 | Confident | 88 Ų | 88 | 120.1 Ų | 120.1 | 73% | 0.727 | 63% | 0.625 | S | S | * | * | trans | -57.1 | 142.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | K231 | K231-A233 PolarHBondContact O-N 3.35Š| ||
| 234 | R | 90.6 | Very high | 79.9 | Confident | 248 Ų | 248 | 114.7 Ų | 114.7 | 94% | 0.936 | 60% | 0.6 | S | S | * | * | trans | -93.6 | 109.4 | 178.6 | -68.3 | -173.5 | 178.2 | -164.4 | 1.5 | 110.1 | ||||
| 235 | T | 93.9 | Very high | 82.1 | Confident | 125 Ų | 125 | 108.6 Ų | 108.6 | 77% | 0.767 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 127.5 | 167.7 | -39.5 | 0 | 0 | 0 | 0 | 109.7 | ||
| 236 | A | 96.3 | Very high | 84.6 | Confident | 86 Ų | 86 | 103.2 Ų | 103.2 | 71% | 0.711 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -82.8 | 151.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 237 | Y | 98.3 | Very high | 86.9 | Confident | 72 Ų | 72 | 101.2 Ų | 101.2 | 28% | 0.282 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 149.8 | 169.2 | -59.9 | -57.9 | 0 | 0 | 0 | 110.3 | L269 Q273 W277 | Y237-L269 HydrophobicContact CD1-CD1 3.92Å; Y237-L269 HydrophobicContact CD1-CD2 3.82Å; Y237-L269 HydrophobicContact CE1-CD1 3.9Å; Y237-L269 HydrophobicContact CE1-CD2 3.66Å; Y237-L269 HydrophobicContact CE1-CG 4.45Å; Y237-Q273 HydrophobicContact CE1-CB 4.46Å; Y237-Q273 WeakPolarHBondContact OH-CB 3.32Å; Y237-W277 AromaticContact CD2-CD1 3.94Å; Y237-W277 AromaticContact CE2-CD1 3.76Å |
| 238 | T | 98.6 | Very high | 89.1 | Confident | 76 Ų | 76 | 99.7 Ų | 99.7 | 47% | 0.466 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 164 | 176.7 | 74.6 | 0 | 0 | 0 | 0 | 111.4 | Y240 Q241 T242 | T238-Y240 VanDerWaalsContact C-N 3.28Å; T238-Y240 PolarHBondContact O-N 3.25Å; T238-Q241 PolarHBondContact O-N 2.73Å; T238-Q241 WeakPolarHBondContact OG1-CG 3.46Å; T238-Q241 PolarHBondContact OG1-N 2.92Å; T238-Q241 VanDerWaalsContact OG1-N 3.15Å; T238-T242 WeakPolarHBondContact O-CB 3.32Å; T238-T242 PolarHBondContact O-N 3.34Å; T238-T242 PolarHBondContact O-OG1 2.7Å |
| 239 | R | 98.4 | Very high | 91.2 | Very high | 204 Ų | 204 | 93.6 Ų | 93.6 | 77% | 0.77 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -57.5 | -42.9 | 174 | -172.9 | 176.2 | -177 | -93.2 | 0.8 | 111.4 | T242 L243 | R239-T242 PolarHBondContact O-N 3Å; R239-L243 HydrophobicContact CG-CD1 4.03Å; R239-L243 VanDerWaalsContact O-CG 3.29Å; R239-L243 WeakPolarHBondContact O-CG 3.32Å; R239-L243 PolarHBondContact O-N 2.69Å |
| 240 | Y | 98.5 | Very high | 93.1 | Very high | 135 Ų | 135 | 93.6 Ų | 93.6 | 53% | 0.529 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.7 | -51.5 | 176.8 | 174 | -108.9 | 0 | 0 | 0 | 112.2 | T238 T242 L243 E244 L267 | T238-Y240 VanDerWaalsContact C-N 3.28Å; T238-Y240 PolarHBondContact O-N 3.25Å; Y240-T242 VanDerWaalsContact C-N 3.25Å; Y240-T242 PolarHBondContact O-N 3.42Å; Y240-L243 PolarHBondContact O-N 3.34Å; Y240-E244 HydrophobicContact CD2-CG 4.26Å; Y240-E244 HydrophobicContact CE2-CG 3.71Å; Y240-E244 PolarHBondContact O-N 3.2Å; Y240-L267 HydrophobicContact CD1-CD2 4.24Å; Y240-L267 HydrophobicContact CE1-CD2 3.67Å |
| 241 | Q | 98.6 | Very high | 94.9 | Very high | 26 Ų | 26 | 100 Ų | 100 | 12% | 0.121 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -55.5 | -42.7 | 176.4 | -73 | 173.4 | -26.4 | 0 | 0 | 111.6 | T238 L245 L267 L269 | T238-Q241 PolarHBondContact O-N 2.73Å; T238-Q241 WeakPolarHBondContact OG1-CG 3.46Å; T238-Q241 PolarHBondContact OG1-N 2.92Å; T238-Q241 VanDerWaalsContact OG1-N 3.15Å; Q241-L245 VanDerWaalsContact O-CB 3.31Å; Q241-L245 WeakPolarHBondContact O-CB 3.23Å; Q241-L245 WeakPolarHBondContact O-CD1 3.31Å; Q241-L245 WeakPolarHBondContact O-CG 3.37Å; Q241-L245 PolarHBondContact O-N 3.19Å; Q241-L267 HydrophobicContact CG-CB 4.28Å; Q241-L267 PolarHBondContact NE2-O 3.38Å; Q241-L269 HydrophobicContact CG-CD1 4.41Å |
| 242 | T | 98.6 | Very high | 96.1 | Very high | 50 Ų | 50 | 96.6 Ų | 96.6 | 31% | 0.307 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 179.9 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | T238 R239 Y240 L245 E246 | T238-T242 WeakPolarHBondContact O-CB 3.32Å; T238-T242 PolarHBondContact O-N 3.34Å; T238-T242 PolarHBondContact O-OG1 2.7Å; R239-T242 PolarHBondContact O-N 3Å; Y240-T242 VanDerWaalsContact C-N 3.25Å; Y240-T242 PolarHBondContact O-N 3.42Å; T242-L245 PolarHBondContact O-N 2.78Å; T242-E246 WeakPolarHBondContact O-CG 3.11Å; T242-E246 PolarHBondContact O-N 2.76Å |
| 243 | L | 98.6 | Very high | 97.1 | Very high | 83 Ų | 83 | 89.3 Ų | 89.3 | 44% | 0.435 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 179.8 | -73.6 | 169.4 | 0 | 0 | 0 | 112.4 | R239 Y240 E246 K247 | R239-L243 HydrophobicContact CG-CD1 4.03Å; R239-L243 VanDerWaalsContact O-CG 3.29Å; R239-L243 WeakPolarHBondContact O-CG 3.32Å; R239-L243 PolarHBondContact O-N 2.69Å; Y240-L243 PolarHBondContact O-N 3.34Å; L243-E246 PolarHBondContact O-N 3.29Å; L243-K247 VanDerWaalsContact O-CB 3.32Å; L243-K247 WeakPolarHBondContact O-CB 3.43Å; L243-K247 PolarHBondContact O-N 3.37Å |
| 244 | E | 98.6 | Very high | 97.7 | Very high | 48 Ų | 48 | 92.3 Ų | 92.3 | 22% | 0.224 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -67.2 | -37.2 | 177.7 | -72.9 | -65.7 | 122.2 | 0 | 0 | 111.9 | Y240 K247 E248 L267 | Y240-E244 HydrophobicContact CD2-CG 4.26Å; Y240-E244 HydrophobicContact CE2-CG 3.71Å; Y240-E244 PolarHBondContact O-N 3.2Å; E244-K247 PolarHBondContact O-N 3.01Å; E244-K247 WeakPolarHBondContact OE1-CD 3.31Å; E244-K247 IonicContact OE1-NZ 2.75Å; E244-K247 PolarHBondContact OE1-NZ 2.87Å; E244-K247 WeakPolarHBondContact OE2-CD 3.14Å; E244-K247 IonicContact OE2-NZ 2.68Å; E244-K247 PolarHBondContact OE2-NZ 2.77Å; E244-E248 WeakPolarHBondContact O-CB 3.14Å; E244-E248 WeakPolarHBondContact O-CG 3.31Å; E244-E248 PolarHBondContact O-N 3Å; E244-L267 HydrophobicContact CB-CD1 4.11Å; E244-L267 HydrophobicContact CB-CD2 3.75Å; E244-L267 HydrophobicContact CG-CD2 4.11Å |
| 245 | L | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 82.3 Ų | 82.3 | 1% | 0.005 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 171.9 | -74 | 167.6 | 0 | 0 | 0 | 112.5 | Q241 T242 F249 I263 L267 L269 I274 W277 F278 | Q241-L245 VanDerWaalsContact O-CB 3.31Å; Q241-L245 WeakPolarHBondContact O-CB 3.23Å; Q241-L245 WeakPolarHBondContact O-CD1 3.31Å; Q241-L245 WeakPolarHBondContact O-CG 3.37Å; Q241-L245 PolarHBondContact O-N 3.19Å; T242-L245 PolarHBondContact O-N 2.78Å; L245-F249 VanDerWaalsContact O-CB 3.3Å; L245-F249 WeakPolarHBondContact O-CB 3.49Å; L245-F249 PolarHBondContact O-N 3.44Å; L245-I263 HydrophobicContact CD2-CG2 4.16Å; L245-L267 HydrophobicContact CD1-CD1 4.43Å; L245-L267 HydrophobicContact CD2-CD1 4.06Å; L245-L267 HydrophobicContact CG-CD1 3.74Å; L245-L269 HydrophobicContact CD1-CD1 4.17Å; L245-I274 HydrophobicContact CD2-CD1 3.84Å; L245-I274 HydrophobicContact CD2-CG2 4.49Å; L245-W277 VanDerWaalsContact C-CH2 3.44Å; L245-W277 HydrophobicContact CB-CD2 3.94Å; L245-W277 HydrophobicContact CB-CE3 4Å; L245-W277 HydrophobicContact CB-CH2 3.74Å; L245-W277 HydrophobicContact CB-CZ2 3.63Å; L245-W277 HydrophobicContact CB-CZ3 3.91Å; L245-W277 HydrophobicContact CD1-CD2 3.97Å; L245-W277 HydrophobicContact CD1-CG 3.88Å; L245-W277 HydrophobicContact CD2-CD2 4.32Å; L245-W277 HydrophobicContact CD2-CE3 4.23Å; L245-W277 HydrophobicContact CG-CD2 4.31Å; L245-W277 VanDerWaalsContact O-CH2 3.3Å; L245-W277 WeakPolarHBondContact O-CH2 3.36Å; L245-W277 WeakPolarHBondContact O-CZ3 3.36Å; L245-F278 HydrophobicContact CD2-CD2 4.49Å; L245-F278 HydrophobicContact CD2-CE2 3.97Å |
| 246 | E | 98.6 | Very high | 98.3 | Very high | 61 Ų | 61 | 80.5 Ų | 80.5 | 29% | 0.285 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70.2 | -40.9 | 174.9 | -70 | -141.5 | 116.3 | 0 | 0 | 112.4 | T242 L243 F249 H250 W277 R281 | T242-E246 WeakPolarHBondContact O-CG 3.11Å; T242-E246 PolarHBondContact O-N 2.76Å; L243-E246 PolarHBondContact O-N 3.29Å; E246-F249 CarbonylContact O-C 3.49Å; E246-F249 PolarHBondContact O-N 3.03Å; E246-H250 PolarHBondContact O-N 2.85Å; E246-H250 PolarHBondContact O-ND1 3.11Å; E246-W277 HydrophobicContact CG-CH2 3.89Å; E246-W277 HydrophobicContact CG-CZ2 3.81Å; E246-R281 IonicContact OE1-CZ 2.65Å; E246-R281 IonicContact OE1-NE 2.8Å; E246-R281 PolarHBondContact OE1-NE 2.96Å; E246-R281 IonicContact OE1-NH2 3.64Å; E246-R281 PolarHBondContact OE1-NH2 2.84Å |
| 247 | K | 98.5 | Very high | 98.4 | Very high | 114 Ų | 114 | 83.1 Ų | 83.1 | 50% | 0.496 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.6 | -51.8 | 173.3 | 170.2 | -169 | 173.6 | -167.1 | 0 | 111.6 | L243 E244 F249 H250 F251 | L243-K247 VanDerWaalsContact O-CB 3.32Å; L243-K247 WeakPolarHBondContact O-CB 3.43Å; L243-K247 PolarHBondContact O-N 3.37Å; E244-K247 PolarHBondContact O-N 3.01Å; E244-K247 WeakPolarHBondContact OE1-CD 3.31Å; E244-K247 IonicContact OE1-NZ 2.75Å; E244-K247 PolarHBondContact OE1-NZ 2.87Å; E244-K247 WeakPolarHBondContact OE2-CD 3.14Å; E244-K247 IonicContact OE2-NZ 2.68Å; E244-K247 PolarHBondContact OE2-NZ 2.77Å; K247-F249 VanDerWaalsContact C-N 3.29Å; K247-F249 PolarHBondContact O-N 3.32Å; K247-H250 PolarHBondContact O-N 3.2Å; K247-F251 PolarHBondContact O-N 3.43Å |
| 248 | E | 98.4 | Very high | 98.4 | Very high | 14 Ų | 14 | 88.2 Ų | 88.2 | 7% | 0.065 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.6 | -38.1 | 174.8 | -72 | -68.3 | 126.8 | 0 | 0 | 111.9 | E244 H250 F251 N252 R259 I263 F278 | E244-E248 WeakPolarHBondContact O-CB 3.14Å; E244-E248 WeakPolarHBondContact O-CG 3.31Å; E244-E248 PolarHBondContact O-N 3Å; E248-H250 VanDerWaalsContact C-N 3.27Å; E248-H250 PolarHBondContact O-N 2.88Å; E248-F251 PolarHBondContact O-N 3.34Å; E248-N252 PolarHBondContact O-N 2.96Å; E248-N252 VanDerWaalsContact O-O 3.05Å; E248-R259 VanDerWaalsContact CD-NH2 3.29Å; E248-R259 IonicContact OE1-CZ 3.66Å; E248-R259 IonicContact OE1-NE 3.53Å; E248-R259 IonicContact OE1-NH2 2.73Å; E248-R259 PolarHBondContact OE1-NH2 2.81Å; E248-R259 IonicContact OE2-CZ 3.44Å; E248-R259 IonicContact OE2-NE 3.56Å; E248-R259 PolarHBondContact OE2-NE 2.73Å; E248-R259 IonicContact OE2-NH2 3.28Å; E248-R259 PolarHBondContact OE2-NH2 2.76Å; E248-I263 HydrophobicContact CB-CD1 4.06Å; E248-I263 HydrophobicContact CG-CD1 3.73Å; E248-I263 HydrophobicContact CG-CG1 4.02Å; E248-I263 WeakPolarHBondContact OE2-CD1 3.43Å; E248-F278 HydrophobicContact CB-CZ 4.01Å |
| 249 | F | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 88.9 Ų | 88.9 | 0% | 0.004 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -70.5 | -17.1 | 174.1 | -176.4 | -99.7 | 0 | 0 | 0 | 114.2 | L245 E246 K247 R253 W277 F278 R281 R282 W285 | L245-F249 VanDerWaalsContact O-CB 3.3Å; L245-F249 WeakPolarHBondContact O-CB 3.49Å; L245-F249 PolarHBondContact O-N 3.44Å; E246-F249 CarbonylContact O-C 3.49Å; E246-F249 PolarHBondContact O-N 3.03Å; K247-F249 VanDerWaalsContact C-N 3.29Å; K247-F249 PolarHBondContact O-N 3.32Å; F249-R253 HydrophobicContact CE2-CB 3.91Å; F249-R253 HydrophobicContact CZ-CB 4.33Å; F249-R253 WeakPolarHBondContact O-CD 3.4Å; F249-R253 PolarHBondContact O-NE 3.11Å; F249-R253 PolarHBondContact O-NH1 3.33Å; F249-W277 HydrophobicContact CB-CH2 4.12Å; F249-W277 HydrophobicContact CB-CZ3 3.9Å; F249-W277 HydrophobicContact CG-CZ3 4.36Å; F249-F278 HydrophobicContact CB-CE1 4Å; F249-F278 HydrophobicContact CB-CZ 4.07Å; F249-F278 AromaticContact CD2-CD1 3.93Å; F249-F278 HydrophobicContact CD2-CD1 3.93Å; F249-F278 AromaticContact CD2-CE1 3.83Å; F249-F278 HydrophobicContact CD2-CE1 3.83Å; F249-F278 HydrophobicContact CG-CE1 4.43Å; F249-R281 HydrophobicContact CB-CG 4.37Å; F249-R281 HydrophobicContact CD1-CG 3.48Å; F249-R281 VanDerWaalsContact CD1-CG 3.48Å; F249-R281 HydrophobicContact CD2-CB 4.31Å; F249-R281 HydrophobicContact CD2-CG 3.88Å; F249-R281 HydrophobicContact CE1-CG 3.68Å; F249-R281 HydrophobicContact CE2-CB 4.4Å; F249-R281 HydrophobicContact CE2-CG 4.06Å; F249-R281 HydrophobicContact CG-CB 4.46Å; F249-R281 HydrophobicContact CG-CG 3.6Å; F249-R281 HydrophobicContact CZ-CG 3.96Å; F249-R282 HydrophobicContact CE2-CG 3.72Å; F249-R282 HydrophobicContact CZ-CG 4.28Å; F249-W285 HydrophobicContact CE1-CB 4.27Å; F249-W285 HydrophobicContact CE1-CG 4.32Å; F249-W285 HydrophobicContact CZ-CB 4.06Å; F249-W285 HydrophobicContact CZ-CG 4.17Å |
| 250 | H | 98 | Very high | 98.4 | Very high | 110 Ų | 110 | 81.4 Ų | 81.4 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -82.3 | -39.8 | 168.8 | -73.7 | 87.8 | 0 | 0 | 0 | 111.6 | E246 K247 E248 | E246-H250 PolarHBondContact O-N 2.85Å; E246-H250 PolarHBondContact O-ND1 3.11Å; K247-H250 PolarHBondContact O-N 3.2Å; E248-H250 VanDerWaalsContact C-N 3.27Å; E248-H250 PolarHBondContact O-N 2.88Å |
| 251 | F | 98.2 | Very high | 98.4 | Very high | 170 Ų | 170 | 77.7 Ų | 77.7 | 75% | 0.746 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.5 | -49.7 | 174.4 | 179.7 | -107 | 0 | 0 | 0 | 112.8 | K247 E248 | K247-F251 PolarHBondContact O-N 3.43Å; E248-F251 PolarHBondContact O-N 3.34Å |
| 252 | N | 97.3 | Very high | 98.4 | Very high | 77 Ų | 77 | 79.6 Ų | 79.6 | 41% | 0.412 | 36% | 0.355 | S | S | . | . | trans | -144.5 | 132.3 | 173.1 | -165.2 | -25.3 | 0 | 0 | 0 | 111.8 | E248 Y254 | E248-N252 PolarHBondContact O-N 2.96Å; E248-N252 VanDerWaalsContact O-O 3.05Å; N252-Y254 PolarHBondContact ND2-O 3.46Å; N252-Y254 PolarHBondContact O-N 2.87Å; N252-Y254 PolarHBondContact OD1-N 3.5Å; N252-Y254 PolarHBondContact OD1-O 3.43Å | ||
| 253 | R | 97.9 | Very high | 98.4 | Very high | 86 Ų | 86 | 77.6 Ų | 77.6 | 33% | 0.325 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -74.5 | -13.4 | -177.5 | -42.4 | -47.8 | -177.5 | 158.2 | -2 | 112.4 | F249 R282 | F249-R253 HydrophobicContact CE2-CB 3.91Å; F249-R253 HydrophobicContact CZ-CB 4.33Å; F249-R253 WeakPolarHBondContact O-CD 3.4Å; F249-R253 PolarHBondContact O-NE 3.11Å; F249-R253 PolarHBondContact O-NH1 3.33Å; R253-R282 WeakPolarHBondContact O-CD 3.49Å |
| 254 | Y | 98.3 | Very high | 98.4 | Very high | 152 Ų | 152 | 73.9 Ų | 73.9 | 60% | 0.596 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -134.3 | 140.2 | -177.8 | -62.6 | -111.8 | 0 | 0 | 0 | 109.6 | N252 R282 | N252-Y254 PolarHBondContact ND2-O 3.46Å; N252-Y254 PolarHBondContact O-N 2.87Å; N252-Y254 PolarHBondContact OD1-N 3.5Å; N252-Y254 PolarHBondContact OD1-O 3.43Å; Y254-R282 VanDerWaalsContact CD1-NH1 3.35Å |
| 255 | L | 98.3 | Very high | 98.4 | Very high | 38 Ų | 38 | 78.4 Ų | 78.4 | 20% | 0.199 | 35% | 0.345 | C | S | . | . | trans | -104.4 | 136.5 | -179.7 | -64.8 | 180 | 0 | 0 | 0 | 112.7 | R259 R260 I263 I274 F278 | L255-R259 HydrophobicContact CD2-CG 4Å; L255-R260 HydrophobicContact CB-CB 4.43Å; L255-R260 HydrophobicContact CD1-CB 4.34Å; L255-R260 HydrophobicContact CD1-CG 4.47Å; L255-I263 HydrophobicContact CD1-CD1 3.74Å; L255-I263 HydrophobicContact CD2-CD1 3.7Å; L255-I263 HydrophobicContact CG-CD1 4.39Å; L255-I274 HydrophobicContact CD1-CG2 3.48Å; L255-I274 VanDerWaalsContact CD1-CG2 3.48Å; L255-F278 HydrophobicContact CD1-CD1 4.21Å; L255-F278 HydrophobicContact CD1-CD2 3.65Å; L255-F278 HydrophobicContact CD1-CE1 4.1Å; L255-F278 HydrophobicContact CD1-CE2 3.56Å; L255-F278 HydrophobicContact CD1-CG 4Å; L255-F278 HydrophobicContact CD1-CZ 3.79Å; L255-F278 HydrophobicContact CD2-CE1 3.88Å; L255-F278 HydrophobicContact CD2-CE2 4.45Å; L255-F278 HydrophobicContact CD2-CZ 3.84Å; L255-F278 HydrophobicContact CG-CD1 3.86Å; L255-F278 HydrophobicContact CG-CD2 4.23Å; L255-F278 HydrophobicContact CG-CE1 3.67Å; L255-F278 HydrophobicContact CG-CE2 4.08Å; L255-F278 HydrophobicContact CG-CG 4.14Å; L255-F278 HydrophobicContact CG-CZ 3.8Å | ||
| 256 | T | 98.6 | Very high | 98.4 | Very high | 87 Ų | 87 | 81.6 Ų | 81.6 | 53% | 0.534 | 37% | 0.371 | S | S | . | . | trans | -70.2 | 168.3 | 169.2 | 68.6 | 0 | 0 | 0 | 0 | 111.8 | R258 R259 R260 | T256-R258 VanDerWaalsContact C-N 3.28Å; T256-R258 PolarHBondContact O-N 2.9Å; T256-R259 PolarHBondContact OG1-N 2.89Å; T256-R260 WeakPolarHBondContact O-CB 3.3Å; T256-R260 PolarHBondContact O-N 2.79Å | ||
| 257 | R | 98.4 | Very high | 98.4 | Very high | 140 Ų | 140 | 79 Ų | 79 | 53% | 0.528 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -55.3 | -43.6 | 174.7 | 175.1 | 67 | -166.3 | 102.5 | -18.7 | 112.1 | E271 | R257-E271 IonicContact CZ-OE1 2.76Å; R257-E271 IonicContact CZ-OE2 2.78Å; R257-E271 IonicContact NH1-OE1 3.82Å; R257-E271 PolarHBondContact NH1-OE1 3.24Å; R257-E271 IonicContact NH1-OE2 2.77Å; R257-E271 PolarHBondContact NH1-OE2 2.99Å; R257-E271 IonicContact NH2-OE1 2.76Å; R257-E271 PolarHBondContact NH2-OE1 2.83Å; R257-E271 IonicContact NH2-OE2 3.7Å |
| 258 | R | 98.4 | Very high | 98.4 | Very high | 179 Ų | 179 | 79.2 Ų | 79.2 | 68% | 0.675 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -72.5 | -54.2 | -177.2 | 174.8 | 174.9 | 170.3 | 157.3 | 1.3 | 111.8 | T256 R260 I261 E262 | T256-R258 VanDerWaalsContact C-N 3.28Å; T256-R258 PolarHBondContact O-N 2.9Å; R258-R260 PolarHBondContact O-N 3.01Å; R258-R260 VanDerWaalsContact O-N 3.11Å; R258-I261 WeakPolarHBondContact O-CB 3.36Å; R258-I261 PolarHBondContact O-N 3.35Å; R258-E262 VanDerWaalsContact CG-OE1 3.31Å; R258-E262 WeakPolarHBondContact CG-OE1 3.04Å; R258-E262 IonicContact CZ-OE1 3.18Å; R258-E262 IonicContact NE-OE1 2.89Å; R258-E262 PolarHBondContact NE-OE1 3.01Å; R258-E262 IonicContact NH2-OE1 2.73Å; R258-E262 PolarHBondContact O-N 2.89Å |
| 259 | R | 98.6 | Very high | 98.3 | Very high | 90 Ų | 90 | 79.2 Ų | 79.2 | 34% | 0.34 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.5 | -31.5 | -175.3 | -172.1 | 54.3 | 174.9 | -179.5 | 0.1 | 112.6 | E248 L255 T256 I261 E262 I263 | E248-R259 VanDerWaalsContact CD-NH2 3.29Å; E248-R259 IonicContact OE1-CZ 3.66Å; E248-R259 IonicContact OE1-NE 3.53Å; E248-R259 IonicContact OE1-NH2 2.73Å; E248-R259 PolarHBondContact OE1-NH2 2.81Å; E248-R259 IonicContact OE2-CZ 3.44Å; E248-R259 IonicContact OE2-NE 3.56Å; E248-R259 PolarHBondContact OE2-NE 2.73Å; E248-R259 IonicContact OE2-NH2 3.28Å; E248-R259 PolarHBondContact OE2-NH2 2.76Å; L255-R259 HydrophobicContact CD2-CG 4Å; T256-R259 PolarHBondContact OG1-N 2.89Å; R259-I261 VanDerWaalsContact C-N 3.33Å; R259-I261 PolarHBondContact O-N 3.48Å; R259-E262 WeakPolarHBondContact CD-OE2 3.3Å; R259-E262 IonicContact CZ-OE2 3.73Å; R259-E262 IonicContact NE-OE2 3.2Å; R259-E262 IonicContact NH1-OE2 2.82Å; R259-E262 PolarHBondContact NH1-OE2 2.72Å; R259-E262 PolarHBondContact O-N 3.4Å; R259-I263 HydrophobicContact CG-CD1 3.92Å; R259-I263 HydrophobicContact CG-CG1 4.41Å; R259-I263 VanDerWaalsContact O-CG1 3.31Å; R259-I263 WeakPolarHBondContact O-CG1 3.42Å; R259-I263 PolarHBondContact O-N 3.03Å; R259-I263 VanDerWaalsContact O-N 3.09Å |
| 260 | R | 98.6 | Very high | 98.3 | Very high | 48 Ų | 48 | 83 Ų | 83 | 18% | 0.181 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.2 | -31 | 174.1 | -170.5 | 172.8 | 64.1 | -111 | 0.1 | 114.1 | L255 T256 R258 A264 E271 I274 | L255-R260 HydrophobicContact CB-CB 4.43Å; L255-R260 HydrophobicContact CD1-CB 4.34Å; L255-R260 HydrophobicContact CD1-CG 4.47Å; T256-R260 WeakPolarHBondContact O-CB 3.3Å; T256-R260 PolarHBondContact O-N 2.79Å; R258-R260 PolarHBondContact O-N 3.01Å; R258-R260 VanDerWaalsContact O-N 3.11Å; R260-A264 WeakPolarHBondContact O-CB 3.36Å; R260-A264 PolarHBondContact O-N 3.33Å; R260-A264 VanDerWaalsContact O-N 3.09Å; R260-E271 HydrophobicContact CG-CB 4.4Å; R260-E271 HydrophobicContact CG-CG 4.26Å; R260-E271 IonicContact CZ-OE2 3.2Å; R260-E271 IonicContact NE-OE2 2.72Å; R260-E271 PolarHBondContact NE-OE2 3.13Å; R260-E271 IonicContact NH2-OE2 2.81Å; R260-E271 PolarHBondContact NH2-OE2 3.37Å; R260-I274 HydrophobicContact CG-CB 4.02Å; R260-I274 HydrophobicContact CG-CG2 3.87Å |
| 261 | I | 98.7 | Very high | 98.4 | Very high | 56 Ų | 56 | 80.5 Ų | 80.5 | 29% | 0.287 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.8 | -49.2 | 174 | -54.8 | 169.4 | 0 | 0 | 0 | 109.3 | R258 R259 I263 A264 H265 | R258-I261 WeakPolarHBondContact O-CB 3.36Å; R258-I261 PolarHBondContact O-N 3.35Å; R259-I261 VanDerWaalsContact C-N 3.33Å; R259-I261 PolarHBondContact O-N 3.48Å; I261-I263 VanDerWaalsContact C-N 3.34Å; I261-I263 PolarHBondContact O-N 3.29Å; I261-A264 WeakPolarHBondContact O-CB 3.48Å; I261-A264 PolarHBondContact O-N 3.46Å; I261-A264 VanDerWaalsContact O-N 3.11Å; I261-H265 VanDerWaalsContact CG2-CE1 3.49Å; I261-H265 WeakPolarHBondContact CG2-CE1 3.47Å; I261-H265 WeakPolarHBondContact CG2-NE2 3.2Å; I261-H265 PolarHBondContact O-CD2 3.23Å; I261-H265 PolarHBondContact O-N 2.8Å |
| 262 | E | 98.6 | Very high | 98.4 | Very high | 66 Ų | 66 | 80.9 Ų | 80.9 | 31% | 0.308 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -55.9 | -48 | -178.1 | -62 | 168.7 | 179.6 | 0 | 0 | 111.1 | R258 R259 A266 | R258-E262 VanDerWaalsContact CG-OE1 3.31Å; R258-E262 WeakPolarHBondContact CG-OE1 3.04Å; R258-E262 IonicContact CZ-OE1 3.18Å; R258-E262 IonicContact NE-OE1 2.89Å; R258-E262 PolarHBondContact NE-OE1 3.01Å; R258-E262 IonicContact NH2-OE1 2.73Å; R258-E262 PolarHBondContact O-N 2.89Å; R259-E262 WeakPolarHBondContact CD-OE2 3.3Å; R259-E262 IonicContact CZ-OE2 3.73Å; R259-E262 IonicContact NE-OE2 3.2Å; R259-E262 IonicContact NH1-OE2 2.82Å; R259-E262 PolarHBondContact NH1-OE2 2.72Å; R259-E262 PolarHBondContact O-N 3.4Å; E262-A266 VanDerWaalsContact O-CB 3.32Å; E262-A266 WeakPolarHBondContact O-CB 3.37Å; E262-A266 PolarHBondContact O-N 3.22Å |
| 263 | I | 98.5 | Very high | 98.4 | Very high | 8 Ų | 8 | 80.1 Ų | 80.1 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.6 | -40 | 176.4 | -57.1 | 162.4 | 0 | 0 | 0 | 111.8 | L245 E248 L255 R259 I261 H265 A266 L267 I274 | L245-I263 HydrophobicContact CD2-CG2 4.16Å; E248-I263 HydrophobicContact CB-CD1 4.06Å; E248-I263 HydrophobicContact CG-CD1 3.73Å; E248-I263 HydrophobicContact CG-CG1 4.02Å; E248-I263 WeakPolarHBondContact OE2-CD1 3.43Å; L255-I263 HydrophobicContact CD1-CD1 3.74Å; L255-I263 HydrophobicContact CD2-CD1 3.7Å; L255-I263 HydrophobicContact CG-CD1 4.39Å; R259-I263 HydrophobicContact CG-CD1 3.92Å; R259-I263 HydrophobicContact CG-CG1 4.41Å; R259-I263 VanDerWaalsContact O-CG1 3.31Å; R259-I263 WeakPolarHBondContact O-CG1 3.42Å; R259-I263 PolarHBondContact O-N 3.03Å; R259-I263 VanDerWaalsContact O-N 3.09Å; I261-I263 VanDerWaalsContact C-N 3.34Å; I261-I263 PolarHBondContact O-N 3.29Å; I263-H265 VanDerWaalsContact C-N 3.32Å; I263-H265 PolarHBondContact O-N 3.47Å; I263-A266 PolarHBondContact O-N 3.35Å; I263-L267 HydrophobicContact CG2-CD1 3.64Å; I263-L267 HydrophobicContact CG2-CG 4.12Å; I263-L267 WeakPolarHBondContact O-CB 3.5Å; I263-L267 WeakPolarHBondContact O-CG 3.33Å; I263-L267 PolarHBondContact O-N 3.4Å; I263-I274 HydrophobicContact CG2-CD1 3.9Å |
| 264 | A | 98.6 | Very high | 98.5 | Very high | 5 Ų | 5 | 76 Ų | 76 | 4% | 0.041 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58 | -45.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R260 I261 C268 L269 E271 I274 | R260-A264 WeakPolarHBondContact O-CB 3.36Å; R260-A264 PolarHBondContact O-N 3.33Å; R260-A264 VanDerWaalsContact O-N 3.09Å; I261-A264 WeakPolarHBondContact O-CB 3.48Å; I261-A264 PolarHBondContact O-N 3.46Å; I261-A264 VanDerWaalsContact O-N 3.11Å; A264-C268 PolarHBondContact O-N 3.49Å; A264-L269 CarbonylContact C-O 3.42Å; A264-L269 VanDerWaalsContact CA-O 3.23Å; A264-L269 WeakPolarHBondContact CA-O 3.41Å; A264-L269 WeakPolarHBondContact CB-O 3.49Å; A264-L269 PolarHBondContact O-N 3.2Å; A264-L269 VanDerWaalsContact O-O 3.05Å; A264-E271 HydrophobicContact CB-CG 4.3Å; A264-I274 HydrophobicContact CB-CG1 4.06Å |
| 265 | H | 98.6 | Very high | 98.5 | Very high | 143 Ų | 143 | 75.1 Ų | 75.1 | 66% | 0.662 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69.3 | -48.3 | 178.2 | -65.3 | -170.6 | 0 | 0 | 0 | 111.2 | I261 I263 L267 C268 | I261-H265 VanDerWaalsContact CG2-CE1 3.49Å; I261-H265 WeakPolarHBondContact CG2-CE1 3.47Å; I261-H265 WeakPolarHBondContact CG2-NE2 3.2Å; I261-H265 PolarHBondContact O-CD2 3.23Å; I261-H265 PolarHBondContact O-N 2.8Å; I263-H265 VanDerWaalsContact C-N 3.32Å; I263-H265 PolarHBondContact O-N 3.47Å; H265-L267 PolarHBondContact O-N 2.92Å; H265-C268 PolarHBondContact O-N 2.9Å |
| 266 | A | 98.3 | Very high | 98.5 | Very high | 68 Ų | 68 | 76 Ų | 76 | 56% | 0.562 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.1 | -25.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E262 I263 | E262-A266 VanDerWaalsContact O-CB 3.32Å; E262-A266 WeakPolarHBondContact O-CB 3.37Å; E262-A266 PolarHBondContact O-N 3.22Å; I263-A266 PolarHBondContact O-N 3.35Å |
| 267 | L | 98.3 | Very high | 98.5 | Very high | 7 Ų | 7 | 73.2 Ų | 73.2 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 1.8 | -178 | -60 | -172 | 0 | 0 | 0 | 114.3 | Y240 Q241 E244 L245 I263 H265 L269 | Y240-L267 HydrophobicContact CD1-CD2 4.24Å; Y240-L267 HydrophobicContact CE1-CD2 3.67Å; Q241-L267 HydrophobicContact CG-CB 4.28Å; Q241-L267 PolarHBondContact NE2-O 3.38Å; E244-L267 HydrophobicContact CB-CD1 4.11Å; E244-L267 HydrophobicContact CB-CD2 3.75Å; E244-L267 HydrophobicContact CG-CD2 4.11Å; L245-L267 HydrophobicContact CD1-CD1 4.43Å; L245-L267 HydrophobicContact CD2-CD1 4.06Å; L245-L267 HydrophobicContact CG-CD1 3.74Å; I263-L267 HydrophobicContact CG2-CD1 3.64Å; I263-L267 HydrophobicContact CG2-CG 4.12Å; I263-L267 WeakPolarHBondContact O-CB 3.5Å; I263-L267 WeakPolarHBondContact O-CG 3.33Å; I263-L267 PolarHBondContact O-N 3.4Å; H265-L267 PolarHBondContact O-N 2.92Å; L267-L269 VanDerWaalsContact C-N 3.3Å; L267-L269 HydrophobicContact CB-CD1 4.23Å; L267-L269 HydrophobicContact CB-CG 4.21Å; L267-L269 PolarHBondContact O-N 3.04Å |
| 268 | C | 98.4 | Very high | 98.5 | Very high | 118 Ų | 118 | 66.9 Ų | 66.9 | 80% | 0.797 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 45.3 | -172 | -61.3 | 0 | 0 | 0 | 0 | 112.9 | A264 H265 | A264-C268 PolarHBondContact O-N 3.49Å; H265-C268 PolarHBondContact O-N 2.9Å |
| 269 | L | 98.1 | Very high | 98.5 | Very high | 15 Ų | 15 | 63.3 Ų | 63.3 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | trans | -124.7 | 143.4 | -179.9 | -69.1 | -178.5 | 0 | 0 | 0 | 110.8 | Y237 Q241 L245 A264 L267 Q273 I274 | Y237-L269 HydrophobicContact CD1-CD1 3.92Å; Y237-L269 HydrophobicContact CD1-CD2 3.82Å; Y237-L269 HydrophobicContact CE1-CD1 3.9Å; Y237-L269 HydrophobicContact CE1-CD2 3.66Å; Y237-L269 HydrophobicContact CE1-CG 4.45Å; Q241-L269 HydrophobicContact CG-CD1 4.41Å; L245-L269 HydrophobicContact CD1-CD1 4.17Å; A264-L269 CarbonylContact C-O 3.42Å; A264-L269 VanDerWaalsContact CA-O 3.23Å; A264-L269 WeakPolarHBondContact CA-O 3.41Å; A264-L269 WeakPolarHBondContact CB-O 3.49Å; A264-L269 PolarHBondContact O-N 3.2Å; A264-L269 VanDerWaalsContact O-O 3.05Å; L267-L269 VanDerWaalsContact C-N 3.3Å; L267-L269 HydrophobicContact CB-CD1 4.23Å; L267-L269 HydrophobicContact CB-CG 4.21Å; L267-L269 PolarHBondContact O-N 3.04Å; L269-Q273 HydrophobicContact CB-CB 4.4Å; L269-I274 HydrophobicContact CB-CD1 3.84Å; L269-I274 HydrophobicContact CB-CG1 4.45Å; L269-I274 HydrophobicContact CD1-CD1 3.98Å | ||
| 270 | T | 98.6 | Very high | 98.5 | Very high | 81 Ų | 81 | 63.9 Ų | 63.9 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | trans | -65.6 | 148.7 | 174.9 | 63.7 | 0 | 0 | 0 | 0 | 111.5 | R272 Q273 I274 | T270-R272 PolarHBondContact O-N 3.38Å; T270-Q273 WeakPolarHBondContact O-CA 3.39Å; T270-Q273 WeakPolarHBondContact O-CB 3.42Å; T270-Q273 PolarHBondContact O-N 3.16Å; T270-Q273 WeakPolarHBondContact OG1-CG 2.96Å; T270-Q273 PolarHBondContact OG1-N 3.29Å; T270-Q273 PolarHBondContact OG1-OE1 3.35Å; T270-I274 PolarHBondContact O-N 3.09Å; T270-I274 VanDerWaalsContact O-N 3.11Å | ||
| 271 | E | 98.6 | Very high | 98.5 | Very high | 57 Ų | 57 | 63.3 Ų | 63.3 | 27% | 0.266 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -50 | -33.2 | 171.6 | -77.3 | -160 | -134.5 | 0 | 0 | 113.2 | R257 R260 A264 I274 K275 | R257-E271 IonicContact CZ-OE1 2.76Å; R257-E271 IonicContact CZ-OE2 2.78Å; R257-E271 IonicContact NH1-OE1 3.82Å; R257-E271 PolarHBondContact NH1-OE1 3.24Å; R257-E271 IonicContact NH1-OE2 2.77Å; R257-E271 PolarHBondContact NH1-OE2 2.99Å; R257-E271 IonicContact NH2-OE1 2.76Å; R257-E271 PolarHBondContact NH2-OE1 2.83Å; R257-E271 IonicContact NH2-OE2 3.7Å; R260-E271 HydrophobicContact CG-CB 4.4Å; R260-E271 HydrophobicContact CG-CG 4.26Å; R260-E271 IonicContact CZ-OE2 3.2Å; R260-E271 IonicContact NE-OE2 2.72Å; R260-E271 PolarHBondContact NE-OE2 3.13Å; R260-E271 IonicContact NH2-OE2 2.81Å; R260-E271 PolarHBondContact NH2-OE2 3.37Å; A264-E271 HydrophobicContact CB-CG 4.3Å; E271-I274 PolarHBondContact O-N 2.97Å; E271-K275 WeakPolarHBondContact O-CB 3.24Å; E271-K275 PolarHBondContact O-N 3.38Å |
| 272 | R | 98.1 | Very high | 98.4 | Very high | 178 Ų | 178 | 64.4 Ų | 64.4 | 67% | 0.672 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66 | -41.3 | 177.3 | -171.1 | 178.2 | -175.9 | -82.9 | 1.3 | 111.7 | T270 K275 I276 | T270-R272 PolarHBondContact O-N 3.38Å; R272-K275 PolarHBondContact O-N 3.04Å; R272-I276 HydrophobicContact CG-CD1 3.96Å; R272-I276 WeakPolarHBondContact O-CB 3.41Å; R272-I276 VanDerWaalsContact O-CG1 3.24Å; R272-I276 WeakPolarHBondContact O-CG1 3.18Å; R272-I276 PolarHBondContact O-N 3.33Å |
| 273 | Q | 98.4 | Very high | 98.4 | Very high | 60 Ų | 60 | 66.6 Ų | 66.6 | 28% | 0.28 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 173.5 | -75.8 | 159.8 | -66.9 | 0 | 0 | 111.1 | Y237 L269 T270 K275 I276 W277 | Y237-Q273 HydrophobicContact CE1-CB 4.46Å; Y237-Q273 WeakPolarHBondContact OH-CB 3.32Å; L269-Q273 HydrophobicContact CB-CB 4.4Å; T270-Q273 WeakPolarHBondContact O-CA 3.39Å; T270-Q273 WeakPolarHBondContact O-CB 3.42Å; T270-Q273 PolarHBondContact O-N 3.16Å; T270-Q273 WeakPolarHBondContact OG1-CG 2.96Å; T270-Q273 PolarHBondContact OG1-N 3.29Å; T270-Q273 PolarHBondContact OG1-OE1 3.35Å; Q273-K275 PolarHBondContact O-N 2.89Å; Q273-I276 PolarHBondContact O-N 3.09Å; Q273-W277 WeakPolarHBondContact O-CB 3.31Å; Q273-W277 PolarHBondContact O-N 3.34Å |
| 274 | I | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 175.5 | -51.9 | -60.4 | 0 | 0 | 0 | 111 | L245 L255 R260 I263 A264 L269 T270 E271 I276 W277 F278 | L245-I274 HydrophobicContact CD2-CD1 3.84Å; L245-I274 HydrophobicContact CD2-CG2 4.49Å; L255-I274 HydrophobicContact CD1-CG2 3.48Å; L255-I274 VanDerWaalsContact CD1-CG2 3.48Å; R260-I274 HydrophobicContact CG-CB 4.02Å; R260-I274 HydrophobicContact CG-CG2 3.87Å; I263-I274 HydrophobicContact CG2-CD1 3.9Å; A264-I274 HydrophobicContact CB-CG1 4.06Å; L269-I274 HydrophobicContact CB-CD1 3.84Å; L269-I274 HydrophobicContact CB-CG1 4.45Å; L269-I274 HydrophobicContact CD1-CD1 3.98Å; T270-I274 PolarHBondContact O-N 3.09Å; T270-I274 VanDerWaalsContact O-N 3.11Å; E271-I274 PolarHBondContact O-N 2.97Å; I274-I276 PolarHBondContact O-N 3.34Å; I274-W277 PolarHBondContact O-N 3.13Å; I274-F278 HydrophobicContact CG2-CD2 4.08Å; I274-F278 HydrophobicContact CG2-CE2 4.33Å; I274-F278 PolarHBondContact O-N 2.76Å |
| 275 | K | 98.3 | Very high | 98.2 | Very high | 134 Ų | 134 | 76.9 Ų | 76.9 | 58% | 0.583 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -58.3 | -46.3 | 178.1 | -178.7 | 179.4 | 177.5 | -179.8 | 0 | 112.2 | E271 R272 Q273 Q279 | E271-K275 WeakPolarHBondContact O-CB 3.24Å; E271-K275 PolarHBondContact O-N 3.38Å; R272-K275 PolarHBondContact O-N 3.04Å; Q273-K275 PolarHBondContact O-N 2.89Å; K275-Q279 WeakPolarHBondContact O-CB 3.48Å; K275-Q279 PolarHBondContact O-N 3.23Å |
| 276 | I | 98.5 | Very high | 98 | Very high | 56 Ų | 56 | 75.4 Ų | 75.4 | 29% | 0.287 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 179.1 | -71 | 168.3 | 0 | 0 | 0 | 110.8 | R272 Q273 I274 F278 Q279 N280 | R272-I276 HydrophobicContact CG-CD1 3.96Å; R272-I276 WeakPolarHBondContact O-CB 3.41Å; R272-I276 VanDerWaalsContact O-CG1 3.24Å; R272-I276 WeakPolarHBondContact O-CG1 3.18Å; R272-I276 PolarHBondContact O-N 3.33Å; Q273-I276 PolarHBondContact O-N 3.09Å; I274-I276 PolarHBondContact O-N 3.34Å; I276-F278 PolarHBondContact O-N 2.94Å; I276-Q279 PolarHBondContact O-N 2.89Å; I276-N280 VanDerWaalsContact O-CG 3.27Å; I276-N280 PolarHBondContact O-N 2.9Å |
| 277 | W | 98.6 | Very high | 97.8 | Very high | 29 Ų | 29 | 79.6 Ų | 79.6 | 11% | 0.11 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 177.6 | -170.4 | 105 | 0 | 0 | 0 | 111.1 | Y237 L245 E246 F249 Q273 I274 Q279 N280 R281 | Y237-W277 AromaticContact CD2-CD1 3.94Å; Y237-W277 AromaticContact CE2-CD1 3.76Å; L245-W277 VanDerWaalsContact C-CH2 3.44Å; L245-W277 HydrophobicContact CB-CD2 3.94Å; L245-W277 HydrophobicContact CB-CE3 4Å; L245-W277 HydrophobicContact CB-CH2 3.74Å; L245-W277 HydrophobicContact CB-CZ2 3.63Å; L245-W277 HydrophobicContact CB-CZ3 3.91Å; L245-W277 HydrophobicContact CD1-CD2 3.97Å; L245-W277 HydrophobicContact CD1-CG 3.88Å; L245-W277 HydrophobicContact CD2-CD2 4.32Å; L245-W277 HydrophobicContact CD2-CE3 4.23Å; L245-W277 HydrophobicContact CG-CD2 4.31Å; L245-W277 VanDerWaalsContact O-CH2 3.3Å; L245-W277 WeakPolarHBondContact O-CH2 3.36Å; L245-W277 WeakPolarHBondContact O-CZ3 3.36Å; E246-W277 HydrophobicContact CG-CH2 3.89Å; E246-W277 HydrophobicContact CG-CZ2 3.81Å; F249-W277 HydrophobicContact CB-CH2 4.12Å; F249-W277 HydrophobicContact CB-CZ3 3.9Å; F249-W277 HydrophobicContact CG-CZ3 4.36Å; Q273-W277 WeakPolarHBondContact O-CB 3.31Å; Q273-W277 PolarHBondContact O-N 3.34Å; I274-W277 PolarHBondContact O-N 3.13Å; W277-Q279 VanDerWaalsContact C-N 3.29Å; W277-Q279 PolarHBondContact O-N 3.32Å; W277-N280 PolarHBondContact O-N 3.41Å; W277-R281 HydrophobicContact CD2-CB 4.47Å; W277-R281 HydrophobicContact CE3-CB 3.91Å; W277-R281 HydrophobicContact CE3-CG 4.45Å; W277-R281 HydrophobicContact CH2-CB 3.9Å; W277-R281 HydrophobicContact CH2-CG 3.55Å; W277-R281 HydrophobicContact CZ2-CB 4.48Å; W277-R281 HydrophobicContact CZ2-CG 4.28Å; W277-R281 HydrophobicContact CZ3-CB 3.6Å; W277-R281 HydrophobicContact CZ3-CG 3.66Å; W277-R281 WeakPolarHBondContact O-CB 3.45Å; W277-R281 PolarHBondContact O-N 2.92Å |
| 278 | F | 98.8 | Very high | 97.5 | Very high | 7 Ų | 7 | 81.9 Ų | 81.9 | 3% | 0.031 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.7 | -26.3 | 176.2 | -91.4 | -101.8 | 0 | 0 | 0 | 113.6 | L245 E248 F249 L255 I274 I276 R282 | L245-F278 HydrophobicContact CD2-CD2 4.49Å; L245-F278 HydrophobicContact CD2-CE2 3.97Å; E248-F278 HydrophobicContact CB-CZ 4.01Å; F249-F278 HydrophobicContact CB-CE1 4Å; F249-F278 HydrophobicContact CB-CZ 4.07Å; F249-F278 AromaticContact CD2-CD1 3.93Å; F249-F278 HydrophobicContact CD2-CD1 3.93Å; F249-F278 AromaticContact CD2-CE1 3.83Å; F249-F278 HydrophobicContact CD2-CE1 3.83Å; F249-F278 HydrophobicContact CG-CE1 4.43Å; L255-F278 HydrophobicContact CD1-CD1 4.21Å; L255-F278 HydrophobicContact CD1-CD2 3.65Å; L255-F278 HydrophobicContact CD1-CE1 4.1Å; L255-F278 HydrophobicContact CD1-CE2 3.56Å; L255-F278 HydrophobicContact CD1-CG 4Å; L255-F278 HydrophobicContact CD1-CZ 3.79Å; L255-F278 HydrophobicContact CD2-CE1 3.88Å; L255-F278 HydrophobicContact CD2-CE2 4.45Å; L255-F278 HydrophobicContact CD2-CZ 3.84Å; L255-F278 HydrophobicContact CG-CD1 3.86Å; L255-F278 HydrophobicContact CG-CD2 4.23Å; L255-F278 HydrophobicContact CG-CE1 3.67Å; L255-F278 HydrophobicContact CG-CE2 4.08Å; L255-F278 HydrophobicContact CG-CG 4.14Å; L255-F278 HydrophobicContact CG-CZ 3.8Å; I274-F278 HydrophobicContact CG2-CD2 4.08Å; I274-F278 HydrophobicContact CG2-CE2 4.33Å; I274-F278 PolarHBondContact O-N 2.76Å; I276-F278 PolarHBondContact O-N 2.94Å; F278-R282 WeakPolarHBondContact O-CG 3.37Å; F278-R282 PolarHBondContact O-N 3.39Å; F278-R282 PolarHBondContact O-NE 3.24Å |
| 279 | Q | 98.6 | Very high | 96.9 | Very high | 103 Ų | 103 | 79.5 Ų | 79.5 | 48% | 0.481 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.9 | -48.1 | 170.6 | -171.6 | 168.8 | 1 | 0 | 0 | 111.2 | K275 I276 W277 R281 R282 M283 | K275-Q279 WeakPolarHBondContact O-CB 3.48Å; K275-Q279 PolarHBondContact O-N 3.23Å; I276-Q279 PolarHBondContact O-N 2.89Å; W277-Q279 VanDerWaalsContact C-N 3.29Å; W277-Q279 PolarHBondContact O-N 3.32Å; Q279-R281 PolarHBondContact O-N 2.85Å; Q279-R282 PolarHBondContact O-N 3.49Å; Q279-M283 WeakPolarHBondContact O-CG 3.46Å; Q279-M283 PolarHBondContact O-N 3.45Å; Q279-M283 VanDerWaalsContact O-N 3.1Å |
| 280 | N | 98.3 | Very high | 95.8 | Very high | 103 Ų | 103 | 85.9 Ų | 85.9 | 55% | 0.551 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.4 | -41.9 | 177.1 | -67.2 | -12.2 | 0 | 0 | 0 | 111.8 | I276 W277 M283 K284 | I276-N280 VanDerWaalsContact O-CG 3.27Å; I276-N280 PolarHBondContact O-N 2.9Å; W277-N280 PolarHBondContact O-N 3.41Å; N280-M283 PolarHBondContact O-N 3.1Å; N280-K284 PolarHBondContact O-N 3.44Å |
| 281 | R | 98.4 | Very high | 94.4 | Very high | 35 Ų | 35 | 86.6 Ų | 86.6 | 13% | 0.132 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.2 | -38.9 | -178.8 | -168.2 | 67.3 | -177 | 86.4 | -12.7 | 112.7 | E246 F249 W277 Q279 W285 | E246-R281 IonicContact OE1-CZ 2.65Å; E246-R281 IonicContact OE1-NE 2.8Å; E246-R281 PolarHBondContact OE1-NE 2.96Å; E246-R281 IonicContact OE1-NH2 3.64Å; E246-R281 PolarHBondContact OE1-NH2 2.84Å; F249-R281 HydrophobicContact CB-CG 4.37Å; F249-R281 HydrophobicContact CD1-CG 3.48Å; F249-R281 VanDerWaalsContact CD1-CG 3.48Å; F249-R281 HydrophobicContact CD2-CB 4.31Å; F249-R281 HydrophobicContact CD2-CG 3.88Å; F249-R281 HydrophobicContact CE1-CG 3.68Å; F249-R281 HydrophobicContact CE2-CB 4.4Å; F249-R281 HydrophobicContact CE2-CG 4.06Å; F249-R281 HydrophobicContact CG-CB 4.46Å; F249-R281 HydrophobicContact CG-CG 3.6Å; F249-R281 HydrophobicContact CZ-CG 3.96Å; W277-R281 HydrophobicContact CD2-CB 4.47Å; W277-R281 HydrophobicContact CE3-CB 3.91Å; W277-R281 HydrophobicContact CE3-CG 4.45Å; W277-R281 HydrophobicContact CH2-CB 3.9Å; W277-R281 HydrophobicContact CH2-CG 3.55Å; W277-R281 HydrophobicContact CZ2-CB 4.48Å; W277-R281 HydrophobicContact CZ2-CG 4.28Å; W277-R281 HydrophobicContact CZ3-CB 3.6Å; W277-R281 HydrophobicContact CZ3-CG 3.66Å; W277-R281 WeakPolarHBondContact O-CB 3.45Å; W277-R281 PolarHBondContact O-N 2.92Å; Q279-R281 PolarHBondContact O-N 2.85Å; R281-W285 VanDerWaalsContact O-CB 3.31Å; R281-W285 WeakPolarHBondContact O-CB 3.39Å; R281-W285 PolarHBondContact O-N 3.38Å |
| 282 | R | 98.1 | Very high | 92.9 | Very high | 79 Ų | 79 | 90.1 Ų | 90.1 | 30% | 0.298 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 171.3 | -76 | 179.3 | -68.6 | 159.4 | 3.7 | 112.2 | F249 R253 Y254 F278 Q279 W285 K286 | F249-R282 HydrophobicContact CE2-CG 3.72Å; F249-R282 HydrophobicContact CZ-CG 4.28Å; R253-R282 WeakPolarHBondContact O-CD 3.49Å; Y254-R282 VanDerWaalsContact CD1-NH1 3.35Å; F278-R282 WeakPolarHBondContact O-CG 3.37Å; F278-R282 PolarHBondContact O-N 3.39Å; F278-R282 PolarHBondContact O-NE 3.24Å; Q279-R282 PolarHBondContact O-N 3.49Å; R282-W285 PolarHBondContact O-N 3.33Å; R282-K286 WeakPolarHBondContact O-CB 3.41Å; R282-K286 PolarHBondContact O-N 3.2Å |
| 283 | M | 98 | Very high | 91.2 | Very high | 112 Ų | 112 | 85.3 Ų | 85.3 | 55% | 0.552 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -65.4 | -41.3 | 176.6 | -71 | -67 | -80.9 | 0 | 0 | 112.1 | Q279 N280 K287 | Q279-M283 WeakPolarHBondContact O-CG 3.46Å; Q279-M283 PolarHBondContact O-N 3.45Å; Q279-M283 VanDerWaalsContact O-N 3.1Å; N280-M283 PolarHBondContact O-N 3.1Å; M283-K287 PolarHBondContact O-N 3.08Å |
| 284 | K | 96.5 | Very high | 89.4 | Confident | 115 Ų | 115 | 88.1 Ų | 88.1 | 50% | 0.5 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.3 | -53.9 | 170.6 | -176.2 | -177.7 | 173 | -176.2 | 0 | 111 | N280 K286 K287 D288 | N280-K284 PolarHBondContact O-N 3.44Å; K284-K286 VanDerWaalsContact C-N 3.29Å; K284-K286 PolarHBondContact O-N 3.45Å; K284-K287 WeakPolarHBondContact O-CA 3.35Å; K284-K287 WeakPolarHBondContact O-CB 3.41Å; K284-K287 PolarHBondContact O-N 3.06Å; K284-D288 WeakPolarHBondContact CE-OD2 3.41Å; K284-D288 WeakPolarHBondContact CG-OD2 3.4Å; K284-D288 PolarHBondContact O-N 3.45Å |
| 285 | W | 95.9 | Very high | 87.5 | Confident | 114 Ų | 114 | 91.9 Ų | 91.9 | 43% | 0.432 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -54.1 | -41.9 | 178.8 | 178.8 | 90.2 | 0 | 0 | 0 | 112.5 | F249 R281 R282 K287 D288 N289 | F249-W285 HydrophobicContact CE1-CB 4.27Å; F249-W285 HydrophobicContact CE1-CG 4.32Å; F249-W285 HydrophobicContact CZ-CB 4.06Å; F249-W285 HydrophobicContact CZ-CG 4.17Å; R281-W285 VanDerWaalsContact O-CB 3.31Å; R281-W285 WeakPolarHBondContact O-CB 3.39Å; R281-W285 PolarHBondContact O-N 3.38Å; R282-W285 PolarHBondContact O-N 3.33Å; W285-K287 VanDerWaalsContact C-N 3.33Å; W285-K287 PolarHBondContact O-N 3.37Å; W285-D288 PolarHBondContact O-N 3.07Å; W285-N289 VanDerWaalsContact CD1-ND2 3.29Å; W285-N289 PolarHBondContact NE1-ND2 3.39Å; W285-N289 VanDerWaalsContact NE1-ND2 3.13Å; W285-N289 PolarHBondContact O-N 3.49Å; W285-N289 PolarHBondContact O-ND2 2.97Å |
| 286 | K | 95.4 | Very high | 85.6 | Confident | 112 Ų | 112 | 91.8 Ų | 91.8 | 49% | 0.487 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.9 | -37.1 | 175.5 | -175 | 176.5 | 66 | 174.8 | 0 | 113 | R282 K284 K290 | R282-K286 WeakPolarHBondContact O-CB 3.41Å; R282-K286 PolarHBondContact O-N 3.2Å; K284-K286 VanDerWaalsContact C-N 3.29Å; K284-K286 PolarHBondContact O-N 3.45Å; K286-K290 PolarHBondContact O-N 3.15Å |
| 287 | K | 94.3 | Very high | 83.6 | Confident | 156 Ų | 156 | 94.3 Ų | 94.3 | 68% | 0.678 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -69.5 | -50 | 174.1 | -174.5 | -178.4 | 178 | -178 | 0 | 110.8 | M283 K284 W285 N289 K290 L291 | M283-K287 PolarHBondContact O-N 3.08Å; K284-K287 WeakPolarHBondContact O-CA 3.35Å; K284-K287 WeakPolarHBondContact O-CB 3.41Å; K284-K287 PolarHBondContact O-N 3.06Å; W285-K287 VanDerWaalsContact C-N 3.33Å; W285-K287 PolarHBondContact O-N 3.37Å; K287-N289 PolarHBondContact O-N 3.06Å; K287-K290 PolarHBondContact O-N 3.42Å; K287-L291 PolarHBondContact O-N 2.84Å; K287-L291 VanDerWaalsContact O-N 3.07Å |
| 288 | D | 91.3 | Very high | 81.5 | Confident | 56 Ų | 56 | 98 Ų | 98 | 30% | 0.299 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.5 | -44.2 | -175.2 | -59.5 | -11.1 | 0 | 0 | 0 | 111.8 | K284 W285 L291 K292 | K284-D288 WeakPolarHBondContact CE-OD2 3.41Å; K284-D288 WeakPolarHBondContact CG-OD2 3.4Å; K284-D288 PolarHBondContact O-N 3.45Å; W285-D288 PolarHBondContact O-N 3.07Å; D288-L291 PolarHBondContact O-N 2.97Å; D288-K292 WeakPolarHBondContact O-CG 3.37Å; D288-K292 PolarHBondContact O-N 3.33Å; D288-K292 VanDerWaalsContact O-N 3.09Å |
| 289 | N | 86.4 | Confident | 79.4 | Confident | 67 Ų | 67 | 101.3 Ų | 101.3 | 36% | 0.358 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.7 | -37.5 | -179.4 | -70.7 | -82.2 | 0 | 0 | 0 | 113.1 | W285 K287 L291 K292 S293 | W285-N289 VanDerWaalsContact CD1-ND2 3.29Å; W285-N289 PolarHBondContact NE1-ND2 3.39Å; W285-N289 VanDerWaalsContact NE1-ND2 3.13Å; W285-N289 PolarHBondContact O-N 3.49Å; W285-N289 PolarHBondContact O-ND2 2.97Å; K287-N289 PolarHBondContact O-N 3.06Å; N289-L291 VanDerWaalsContact C-N 3.28Å; N289-L291 PolarHBondContact O-N 3Å; N289-K292 PolarHBondContact O-N 3.39Å; N289-S293 PolarHBondContact O-N 3.01Å |
| 290 | K | 73.9 | Confident | 77 | Confident | 149 Ų | 149 | 99.8 Ų | 99.8 | 65% | 0.648 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.8 | -37.9 | 173.5 | -83.5 | -177.9 | 166.9 | -70.4 | 0 | 111.9 | K286 K287 | K286-K290 PolarHBondContact O-N 3.15Å; K287-K290 PolarHBondContact O-N 3.42Å |
| 291 | L | 68.8 | Low | 75 | Confident | 97 Ų | 97 | 100.2 Ų | 100.2 | 51% | 0.508 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.7 | -45.1 | 176.9 | -167 | 63.6 | 0 | 0 | 0 | 111.6 | K287 D288 N289 S293 M294 T295 | K287-L291 PolarHBondContact O-N 2.84Å; K287-L291 VanDerWaalsContact O-N 3.07Å; D288-L291 PolarHBondContact O-N 2.97Å; N289-L291 VanDerWaalsContact C-N 3.28Å; N289-L291 PolarHBondContact O-N 3Å; L291-S293 VanDerWaalsContact C-N 3.29Å; L291-S293 PolarHBondContact O-N 2.92Å; L291-M294 HydrophobicContact CD1-CE 3.93Å; L291-M294 PolarHBondContact O-N 3.36Å; L291-M294 VanDerWaalsContact O-N 3.09Å; L291-T295 PolarHBondContact O-N 2.95Å; L291-T295 VanDerWaalsContact O-N 3.08Å; L291-T295 PolarHBondContact O-OG1 3.22Å |
| 292 | K | 67.1 | Low | 72.7 | Confident | 130 Ų | 130 | 102.4 Ų | 102.4 | 57% | 0.565 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -57.1 | -39.8 | 176 | -74.2 | 178.1 | 178.7 | -166.1 | 0 | 113.2 | D288 N289 M294 T295 L296 | D288-K292 WeakPolarHBondContact O-CG 3.37Å; D288-K292 PolarHBondContact O-N 3.33Å; D288-K292 VanDerWaalsContact O-N 3.09Å; N289-K292 PolarHBondContact O-N 3.39Å; K292-M294 PolarHBondContact O-N 3.33Å; K292-T295 WeakPolarHBondContact CA-OG1 3.5Å; K292-T295 PolarHBondContact O-N 3.12Å; K292-T295 PolarHBondContact O-OG1 3.37Å; K292-L296 WeakPolarHBondContact O-CG 3.41Å; K292-L296 PolarHBondContact O-N 2.83Å; K292-L296 VanDerWaalsContact O-N 3.13Å |
| 293 | S | 63.4 | Low | 70.3 | Confident | 78 Ų | 78 | 108 Ų | 108 | 55% | 0.545 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -57.7 | -38.6 | 176.8 | -162.1 | 0 | 0 | 0 | 0 | 112.2 | N289 L291 T297 | N289-S293 PolarHBondContact O-N 3.01Å; L291-S293 VanDerWaalsContact C-N 3.29Å; L291-S293 PolarHBondContact O-N 2.92Å; S293-T297 PolarHBondContact O-OG1 3.07Å |
| 294 | M | 59.5 | Low | 67.7 | Low | 119 Ų | 119 | 111.5 Ų | 111.5 | 59% | 0.586 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -81 | -36 | -178.8 | -60.5 | -176.1 | -57.8 | 0 | 0 | 112.2 | L291 K292 L296 T297 T298 | L291-M294 HydrophobicContact CD1-CE 3.93Å; L291-M294 PolarHBondContact O-N 3.36Å; L291-M294 VanDerWaalsContact O-N 3.09Å; K292-M294 PolarHBondContact O-N 3.33Å; M294-L296 VanDerWaalsContact C-N 3.32Å; M294-L296 PolarHBondContact O-N 2.92Å; M294-T297 PolarHBondContact O-N 3.17Å; M294-T298 PolarHBondContact O-N 2.66Å |
| 295 | T | 59.7 | Low | 65.9 | Low | 78 Ų | 78 | 114.8 Ų | 114.8 | 48% | 0.479 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -71.2 | -23.9 | 178.5 | 48.4 | 0 | 0 | 0 | 0 | 113.7 | L291 K292 T298 | L291-T295 PolarHBondContact O-N 2.95Å; L291-T295 VanDerWaalsContact O-N 3.08Å; L291-T295 PolarHBondContact O-OG1 3.22Å; K292-T295 WeakPolarHBondContact CA-OG1 3.5Å; K292-T295 PolarHBondContact O-N 3.12Å; K292-T295 PolarHBondContact O-OG1 3.37Å; T295-T298 WeakPolarHBondContact O-CG2 3.27Å |
| 296 | L | 58.3 | Low | 64.5 | Low | 133 Ų | 133 | 114.9 Ų | 114.9 | 70% | 0.696 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -73.3 | -38.4 | 172.8 | -73.1 | 168 | 0 | 0 | 0 | 111.9 | K292 M294 A299 | K292-L296 WeakPolarHBondContact O-CG 3.41Å; K292-L296 PolarHBondContact O-N 2.83Å; K292-L296 VanDerWaalsContact O-N 3.13Å; M294-L296 VanDerWaalsContact C-N 3.32Å; M294-L296 PolarHBondContact O-N 2.92Å; L296-A299 PolarHBondContact O-N 3.29Å |
| 297 | T | 56.9 | Low | 62.8 | Low | 108 Ų | 108 | 115 Ų | 115 | 66% | 0.663 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65 | -41.9 | 178.1 | -49.2 | 0 | 0 | 0 | 0 | 112.5 | S293 M294 A299 G300 | S293-T297 PolarHBondContact O-OG1 3.07Å; M294-T297 PolarHBondContact O-N 3.17Å; T297-A299 VanDerWaalsContact C-N 3.3Å; T297-A299 PolarHBondContact O-N 3.05Å; T297-G300 PolarHBondContact O-N 3.11Å |
| 298 | T | 54 | Low | 61.1 | Low | 108 Ų | 108 | 112.7 Ų | 112.7 | 66% | 0.663 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.6 | -21.3 | -178.8 | -167.9 | 0 | 0 | 0 | 0 | 114 | M294 T295 | M294-T298 PolarHBondContact O-N 2.66Å; T295-T298 WeakPolarHBondContact O-CG2 3.27Å |
| 299 | A | 54.9 | Low | 59.3 | Low | 75 Ų | 75 | 116.1 Ų | 116.1 | 62% | 0.62 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -80.1 | -22.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | L296 T297 | L296-A299 PolarHBondContact O-N 3.29Å; T297-A299 VanDerWaalsContact C-N 3.3Å; T297-A299 PolarHBondContact O-N 3.05Å |
| 300 | G | 48.5 | Very low | 57.6 | Low | 71 Ų | 71 | 119.1 Ų | 119.1 | 73% | 0.732 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -4.7 | -176 | 0 | 0 | 0 | 0 | 0 | 116.1 | T297 | T297-G300 PolarHBondContact O-N 3.11Š|
| 301 | S | 54.8 | Low | 56.5 | Low | 112 Ų | 112 | 117.1 Ų | 117.1 | 78% | 0.783 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 3.7 | -172.6 | -169 | 0 | 0 | 0 | 0 | 114.5 | ||
| 302 | A | 50.8 | Low | 55.6 | Low | 81 Ų | 81 | 118.6 Ų | 118.6 | 67% | 0.669 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -109 | 6.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 303 | F | 48.9 | Very low | 54.8 | Low | 196 Ų | 196 | 117.7 Ų | 117.7 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | trans | -150.7 | 104.2 | 177.2 | -143.5 | -92.7 | 0 | 0 | 0 | 111.3 | ||||
| 304 | Q | 43.3 | Very low | 54 | Low | 187 Ų | 187 | 121 Ų | 121 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | trans | -137.6 | 126.3 | 165.7 | -169.1 | 168.1 | -2.1 | 0 | 0 | 106.2 | ||||
| 305 | P | 59 | Low | 53.5 | Low | 184 Ų | 184 | 121.2 Ų | 121.2 | 100% | 1.195 | 75% | 0.748 | S | S | * | * | trans | -78.3 | 0 | -172 | 33.8 | -36.9 | 0 | 0 | 0 | 113.3 |
Retrieved 305 of 305 residues in 488.4 ms
(Link to these results)