| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.9 | Very low | 38.3 | Very low | 244 Ų | 244 | 145.9 Ų | 145.9 | 100% | 1.202 | 82% | 0.817 | S | S | * | * | 0 | 134 | 0 | -76.2 | 169.9 | 158 | 0 | 0 | 107.7 | |||||
| 2 | A | 44.6 | Very low | 38.3 | Very low | 102 Ų | 102 | 152.3 Ų | 152.3 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | 54.5 | 88.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 3 | A | 45 | Very low | 38 | Very low | 84 Ų | 84 | 152.1 Ų | 152.1 | 69% | 0.694 | 83% | 0.825 | S | S | * | * | 76.4 | 97 | 96.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 4 | H | 35.8 | Very low | 38 | Very low | 180 Ų | 180 | 147.3 Ų | 147.3 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | 58.3 | 130.4 | 77.8 | -66 | -79.2 | 0 | 0 | 0 | 112.5 | |||||
| 5 | T | 38.9 | Very low | 38.1 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | cis | -159.4 | 158.1 | 12.7 | -1.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 6 | I | 38.2 | Very low | 38.5 | Very low | 150 Ų | 150 | 145.5 Ų | 145.5 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -75.8 | 141.6 | 166.5 | -64.7 | 160.6 | 0 | 0 | 0 | 109.6 | ||||
| 7 | F | 38.3 | Very low | 39.2 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -136.5 | 107.3 | 154.2 | -96.3 | -83.5 | 0 | 0 | 0 | 110.4 | ||||
| 8 | H | 34.6 | Very low | 40 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | trans | -95.1 | 133.6 | 146.5 | -84.9 | 42.1 | 0 | 0 | 0 | 106.7 | ||||
| 9 | S | 37.7 | Very low | 40.5 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -163.7 | 125.2 | 157.4 | 55.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 10 | D | 35.6 | Very low | 41 | Very low | 163 Ų | 163 | 135.5 Ų | 135.5 | 87% | 0.872 | 74% | 0.739 | S | S | * | * | trans | -58.2 | 176.2 | 167.9 | -71.5 | -68.5 | 0 | 0 | 0 | 113.3 | ||||
| 11 | S | 29.8 | Very low | 41.5 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | trans | 89.5 | 97 | 171.2 | -161.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 12 | R | 37.9 | Very low | 41.8 | Very low | 223 Ų | 223 | 135.2 Ų | 135.2 | 84% | 0.842 | 72% | 0.719 | S | S | * | * | -158.4 | 93.9 | 105.5 | -99.5 | 164.5 | -153.4 | -140.9 | 4.2 | 111.4 | S14 | R12-S14 VanDerWaalsContact C-N 3.26Å; R12-S14 PolarHBondContact O-N 3.15Å | |||
| 13 | V | 34.3 | Very low | 42.1 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 90% | 0.903 | 69% | 0.691 | S | S | * | * | trans | -70.6 | 91.2 | 152.5 | 178.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 14 | S | 38.3 | Very low | 42.3 | Very low | 85 Ų | 85 | 132.2 Ų | 132.2 | 59% | 0.594 | 69% | 0.686 | S | S | * | * | trans | -123.3 | 86.6 | 178.9 | 59 | 0 | 0 | 0 | 0 | 111 | R12 I16 | R12-S14 VanDerWaalsContact C-N 3.26Å; R12-S14 PolarHBondContact O-N 3.15Å; S14-I16 PolarHBondContact O-N 3.13Å | ||
| 15 | N | 40.3 | Very low | 43 | Very low | 155 Ų | 155 | 128.7 Ų | 128.7 | 83% | 0.829 | 67% | 0.67 | S | S | * | * | trans | 35.2 | 64.6 | 144 | -58.3 | -18.7 | 0 | 0 | 0 | 116.3 | S17 | N15-S17 PolarHBondContact O-N 3.19Š| ||
| 16 | I | 44.1 | Very low | 43.8 | Very low | 111 Ų | 111 | 126.2 Ų | 126.2 | 57% | 0.569 | 65% | 0.651 | S | S | * | * | trans | -59.4 | 112.2 | 158.8 | -103.3 | 170 | 0 | 0 | 0 | 107 | S14 K21 | S14-I16 PolarHBondContact O-N 3.13Å; I16-K21 HydrophobicContact CG2-CD 4.45Å; I16-K21 HydrophobicContact CG2-CG 4Å | ||
| 17 | S | 50.7 | Low | 44.2 | Very low | 59 Ų | 59 | 126.9 Ų | 126.9 | 41% | 0.413 | 65% | 0.649 | S | S | . | * | trans | -55.7 | 143.1 | 179.8 | 175.7 | 0 | 0 | 0 | 0 | 109.6 | N15 K19 Q20 | N15-S17 PolarHBondContact O-N 3.19Å; S17-K19 PolarHBondContact O-N 2.96Å; S17-K19 PolarHBondContact OG-N 2.77Å; S17-Q20 PolarHBondContact O-N 3.1Å | ||
| 18 | T | 52.7 | Low | 44.4 | Very low | 123 Ų | 123 | 125.3 Ų | 125.3 | 76% | 0.755 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -15.1 | 176.8 | 40.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 19 | K | 48.9 | Very low | 45 | Very low | 113 Ų | 113 | 121.2 Ų | 121.2 | 49% | 0.491 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.3 | -50.5 | 167.1 | -75.6 | -179.7 | 138.6 | -144.3 | 0 | 114.3 | S17 K21 R22 E572 | S17-K19 PolarHBondContact O-N 2.96Å; S17-K19 PolarHBondContact OG-N 2.77Å; K19-K21 VanDerWaalsContact C-N 3.34Å; K19-K21 PolarHBondContact O-N 3.45Å; K19-R22 WeakPolarHBondContact O-CB 3.5Å; K19-R22 PolarHBondContact O-N 3.08Å; K19-E572 VanDerWaalsContact CD-OE1 3.23Å; K19-E572 WeakPolarHBondContact CD-OE1 3.45Å; K19-E572 WeakPolarHBondContact CE-OE1 3.29Å; K19-E572 IonicContact NZ-OE1 2.71Å; K19-E572 PolarHBondContact NZ-OE1 2.92Å; K19-E572 IonicContact NZ-OE2 2.76Å; K19-E572 PolarHBondContact NZ-OE2 3.47Å; K19-E572 VanDerWaalsContact NZ-OE2 3.14Å |
| 20 | Q | 52.1 | Low | 45.6 | Very low | 87 Ų | 87 | 122.4 Ų | 122.4 | 41% | 0.407 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -67 | -32.5 | -173.6 | -83.9 | 170.1 | -19.7 | 0 | 0 | 112.6 | S17 R22 L23 E580 | S17-Q20 PolarHBondContact O-N 3.1Å; Q20-R22 PolarHBondContact O-N 3.43Å; Q20-L23 PolarHBondContact O-N 3.28Å; Q20-E580 PolarHBondContact NE2-OE1 2.93Å |
| 21 | K | 50.9 | Low | 45.7 | Very low | 167 Ų | 167 | 124.5 Ų | 124.5 | 73% | 0.726 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.3 | -21.7 | 171.9 | -88.9 | -176.8 | 175 | 179.8 | 0 | 114.3 | I16 K19 | I16-K21 HydrophobicContact CG2-CD 4.45Å; I16-K21 HydrophobicContact CG2-CG 4Å; K19-K21 VanDerWaalsContact C-N 3.34Å; K19-K21 PolarHBondContact O-N 3.45Å |
| 22 | R | 48.1 | Very low | 46 | Very low | 206 Ų | 206 | 130.3 Ų | 130.3 | 78% | 0.777 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -81 | -23.7 | 179.2 | -83.7 | -179.4 | 158.9 | 175 | -5.4 | 114.1 | K19 Q20 | K19-R22 WeakPolarHBondContact O-CB 3.5Å; K19-R22 PolarHBondContact O-N 3.08Å; Q20-R22 PolarHBondContact O-N 3.43Å |
| 23 | L | 52.4 | Low | 45.9 | Very low | 52 Ų | 52 | 131.3 Ų | 131.3 | 27% | 0.272 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -85.1 | -32.2 | -176.7 | -75.7 | 166.8 | 0 | 0 | 0 | 113.5 | Q20 H25 M26 | Q20-L23 PolarHBondContact O-N 3.28Å; L23-H25 PolarHBondContact O-N 3.46Å; L23-M26 HydrophobicContact CD2-CE 4.47Å; L23-M26 PolarHBondContact O-N 3.08Å |
| 24 | A | 48.2 | Very low | 45.8 | Very low | 71 Ų | 71 | 132.6 Ų | 132.6 | 59% | 0.587 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -62 | -26.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | M26 | A24-M26 VanDerWaalsContact C-N 3.35Å; A24-M26 PolarHBondContact O-N 3.23Å |
| 25 | H | 52.1 | Low | 45.9 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 49% | 0.491 | 66% | 0.663 | S | S | . | * | G | 310 helix | trans | -73.1 | -18 | -177.9 | 166.4 | -104.8 | 0 | 0 | 0 | 114.4 | L23 W558 | L23-H25 PolarHBondContact O-N 3.46Å; H25-W558 AromaticContact CE1-CE3 3.42Å; H25-W558 VanDerWaalsContact CE1-CE3 3.42Å; H25-W558 AromaticContact CE1-CZ3 3.26Å; H25-W558 WeakPolarHBondContact CE1-CZ3 3.43Å; H25-W558 AromaticContact ND1-CE3 3.76Å; H25-W558 AromaticContact ND1-CZ3 3.76Å; H25-W558 AromaticContact NE2-CZ3 3.63Å |
| 26 | M | 54.1 | Low | 45.5 | Very low | 62 Ų | 62 | 136.7 Ų | 136.7 | 31% | 0.305 | 66% | 0.66 | S | S | . | * | G | 310 helix | trans | -91.8 | -12.3 | -173.5 | -82.2 | -169 | -91.9 | 0 | 0 | 116 | L23 A24 W558 | L23-M26 HydrophobicContact CD2-CE 4.47Å; L23-M26 PolarHBondContact O-N 3.08Å; A24-M26 VanDerWaalsContact C-N 3.35Å; A24-M26 PolarHBondContact O-N 3.23Å; M26-W558 HydrophobicContact CG-CB 4.08Å; M26-W558 HydrophobicContact CG-CD2 4.29Å; M26-W558 HydrophobicContact CG-CE3 3.86Å; M26-W558 HydrophobicContact CG-CG 4.43Å; M26-W558 HydrophobicContact SD-CB 3.66Å; M26-W558 HydrophobicContact SD-CG 4.49Å |
| 27 | F | 47.9 | Very low | 45.4 | Very low | 164 Ų | 164 | 139 Ų | 139 | 72% | 0.719 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -111.3 | -0.2 | -166.4 | -77.5 | -79 | 0 | 0 | 0 | 116.6 | ||
| 28 | L | 41.3 | Very low | 44.7 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 77% | 0.77 | 69% | 0.687 | S | S | * | * | trans | -101.2 | 93.5 | 175.4 | -80.6 | 76.9 | 0 | 0 | 0 | 111.2 | ||||
| 29 | S | 48.5 | Very low | 44.2 | Very low | 97 Ų | 97 | 143.8 Ų | 143.8 | 68% | 0.678 | 70% | 0.696 | S | S | * | * | trans | -134.9 | 103.5 | 169 | -79.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 30 | P | 49.4 | Very low | 43.5 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 81% | 0.812 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 143.9 | 180 | -19.2 | 33.4 | 0 | 0 | 0 | 113.6 | ||
| 31 | F | 37.2 | Very low | 42.7 | Very low | 207 Ų | 207 | 156.1 Ų | 156.1 | 91% | 0.908 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 136.8 | 176.3 | -83.7 | -105.6 | 0 | 0 | 0 | 113.1 | ||
| 32 | R | 35.7 | Very low | 41.9 | Very low | 228 Ų | 228 | 153 Ų | 153 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 130.5 | 164.2 | -65.3 | -173.5 | -175 | -153.6 | 3.7 | 110.1 | ||
| 33 | R | 37.7 | Very low | 41.2 | Very low | 244 Ų | 244 | 150.3 Ų | 150.3 | 92% | 0.921 | 74% | 0.742 | S | S | * | * | trans | -116 | 127.6 | 150 | -79 | -168.5 | 176.6 | -156.1 | -0.4 | 108.9 | ||||
| 34 | F | 30.7 | Very low | 40.4 | Very low | 176 Ų | 176 | 156.8 Ų | 156.8 | 77% | 0.772 | 77% | 0.768 | S | S | * | * | trans | -65.6 | 142.1 | 167.7 | -90.5 | -103.1 | 0 | 0 | 0 | 109.7 | ||||
| 35 | N | 40.7 | Very low | 40 | Very low | 160 Ų | 160 | 161.9 Ų | 161.9 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | -142.7 | 114.4 | 154.8 | -94 | -23.8 | 0 | 0 | 0 | 107.9 | ||||
| 36 | H | 33.1 | Very low | 39.5 | Very low | 166 Ų | 166 | 163.9 Ų | 163.9 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -68.3 | 126.7 | 160.6 | -95 | -93.3 | 0 | 0 | 0 | 108.2 | ||||
| 37 | N | 41 | Very low | 38.6 | Very low | 159 Ų | 159 | 166.3 Ų | 166.3 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | 163.6 | 132.8 | 130.7 | -82.5 | -22.7 | 0 | 0 | 0 | 112.5 | ||||
| 38 | G | 35.5 | Very low | 38.2 | Very low | 69 Ų | 69 | 163.7 Ų | 163.7 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | 88 | 94.2 | 137.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 39 | K | 42.8 | Very low | 38 | Very low | 213 Ų | 213 | 161.6 Ų | 161.6 | 93% | 0.926 | 81% | 0.812 | S | S | * | * | trans | 58.5 | 111.5 | 136.5 | -60.3 | -178.3 | 178 | -176.5 | 0 | 118.7 | ||||
| 40 | K | 34 | Very low | 37.2 | Very low | 212 Ų | 212 | 165.7 Ų | 165.7 | 92% | 0.922 | 82% | 0.821 | S | S | * | * | trans | -60.5 | 141.4 | 161.8 | -72.3 | -178.3 | 175.3 | -179.4 | 0 | 111.4 | ||||
| 41 | R | 35.7 | Very low | 36.8 | Very low | 247 Ų | 247 | 168 Ų | 168 | 93% | 0.932 | 83% | 0.826 | S | S | * | * | trans | -120.3 | 131.9 | 144.3 | -85.2 | -177.6 | 166.8 | 154.7 | -4.1 | 107.4 | ||||
| 42 | S | 33.6 | Very low | 36.9 | Very low | 103 Ų | 103 | 161.7 Ų | 161.7 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | -83.8 | 141.5 | 162.8 | 48.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 43 | D | 34 | Very low | 36.9 | Very low | 149 Ų | 149 | 158 Ų | 158 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -179.8 | 151.9 | 133.9 | -89 | -16.2 | 0 | 0 | 0 | 111.1 | ||||
| 44 | K | 35.6 | Very low | 36.8 | Very low | 187 Ų | 187 | 151.4 Ų | 151.4 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | 84.4 | 105.5 | 167.7 | -48.1 | -172.7 | -175.7 | -175.2 | 0 | 119 | ||||
| 45 | H | 39.9 | Very low | 37.1 | Very low | 179 Ų | 179 | 149.2 Ų | 149.2 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | -119.5 | 124.9 | 121.9 | -93.1 | -100.8 | 0 | 0 | 0 | 105.6 | |||||
| 46 | L | 40.7 | Very low | 36.6 | Very low | 147 Ų | 147 | 152 Ų | 152 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | 82 | 135.6 | 63.7 | -84.3 | 159.1 | 0 | 0 | 0 | 113.1 | |||||
| 47 | P | 35.8 | Very low | 36.7 | Very low | 113 Ų | 113 | 153.7 Ų | 153.7 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -107.7 | 153.7 | -163.3 | 40.9 | -34.3 | 0 | 0 | 0 | 115.2 | ||||
| 48 | S | 39.3 | Very low | 36.6 | Very low | 110 Ų | 110 | 152.3 Ų | 152.3 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -152.8 | 116 | 161.6 | -64.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 49 | S | 37.1 | Very low | 36.4 | Very low | 102 Ų | 102 | 156.1 Ų | 156.1 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | 70.2 | 111 | 70.5 | 72.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 50 | E | 32.7 | Very low | 36.1 | Very low | 184 Ų | 184 | 152.8 Ų | 152.8 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | 62 | 107.7 | 153.8 | -59.3 | 176.7 | -174.3 | 0 | 0 | 118.7 | ||||
| 51 | L | 39.9 | Very low | 36.3 | Very low | 173 Ų | 173 | 148 Ų | 148 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | -168.3 | 137.8 | 105.1 | -100.4 | 163.1 | 0 | 0 | 0 | 113.4 | |||||
| 52 | A | 38.4 | Very low | 36.2 | Very low | 74 Ų | 74 | 143.9 Ų | 143.9 | 61% | 0.612 | 78% | 0.783 | S | S | * | * | trans | -4.1 | 157.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 53 | D | 37.3 | Very low | 36.2 | Very low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | 69.8 | 97.8 | 154.1 | -56 | -24.6 | 0 | 0 | 0 | 118.6 | ||||
| 54 | S | 34.4 | Very low | 36.2 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | 77.2 | 97.5 | 68.3 | -174.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 55 | C | 36.9 | Very low | 36.2 | Very low | 130 Ų | 130 | 138 Ų | 138 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | -156.3 | 140.2 | 116.7 | -95.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 56 | R | 31.6 | Very low | 35.9 | Very low | 218 Ų | 218 | 136.9 Ų | 136.9 | 82% | 0.823 | 78% | 0.782 | S | S | * | * | trans | -74 | 154.5 | 171.5 | -63.9 | 172.6 | 163.9 | 116.9 | -5.7 | 110 | ||||
| 57 | F | 35.5 | Very low | 35.5 | Very low | 202 Ų | 202 | 135 Ų | 135 | 89% | 0.886 | 78% | 0.776 | S | S | * | * | -159.1 | 156.7 | 116.5 | -115.7 | -76.8 | 0 | 0 | 0 | 111.1 | |||||
| 58 | D | 37.6 | Very low | 35.5 | Very low | 130 Ų | 130 | 136 Ų | 136 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | trans | -89.6 | 166.3 | -153.7 | -63.2 | -75.7 | 0 | 0 | 0 | 116.7 | ||||
| 59 | L | 32.6 | Very low | 35.1 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -60.5 | 137.3 | 169.5 | -60.7 | 153 | 0 | 0 | 0 | 111.5 | ||||
| 60 | N | 34.9 | Very low | 35.1 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | 170.2 | 156.2 | 106.8 | -93.8 | -41.9 | 0 | 0 | 0 | 116.8 | |||||
| 61 | T | 38 | Very low | 35.1 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | trans | 67.4 | 106.5 | 146.9 | 48 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 62 | N | 33.8 | Very low | 35 | Very low | 162 Ų | 162 | 130.4 Ų | 130.4 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | 54.1 | 123.8 | 116.7 | -56.8 | -16.5 | 0 | 0 | 0 | 122.1 | |||||
| 63 | G | 35 | Very low | 34.6 | Very low | 85 Ų | 85 | 135.8 Ų | 135.8 | 88% | 0.876 | 78% | 0.775 | S | S | * | * | trans | 122.4 | 130.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 64 | G | 32.9 | Very low | 34.7 | Very low | 68 Ų | 68 | 133.9 Ų | 133.9 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | cis | 120.9 | 116.3 | 2.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 65 | L | 35.6 | Very low | 34.4 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | 69.1 | 150.1 | -176.8 | -76 | 79.1 | 0 | 0 | 0 | 114.3 | ||||
| 66 | E | 33.9 | Very low | 34.4 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 73% | 0.729 | 77% | 0.77 | S | S | * | * | cis | -157.8 | 173.4 | -2.2 | -131.2 | -171.7 | 152.1 | 0 | 0 | 111.7 | ||||
| 67 | V | 33.1 | Very low | 34.5 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 65% | 0.648 | 77% | 0.772 | S | S | * | * | trans | 8.8 | 149.1 | 162.8 | -112.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 68 | V | 35.4 | Very low | 34.4 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | -154.6 | 146 | 55.9 | -177.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 69 | S | 30.2 | Very low | 34 | Very low | 99 Ų | 99 | 129 Ų | 129 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | -66.3 | 172.2 | 173.7 | -35.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 70 | V | 37.9 | Very low | 34.1 | Very low | 128 Ų | 128 | 127 Ų | 127 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | 172.2 | 113.6 | 123.1 | 153.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 71 | S | 31.9 | Very low | 34.5 | Very low | 99 Ų | 99 | 125.6 Ų | 125.6 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | 33.4 | 129.7 | 148.3 | 74.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 72 | T | 37.7 | Very low | 34.3 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | 159 | 118 | 99.3 | -72.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 73 | F | 30 | Very low | 34.4 | Very low | 187 Ų | 187 | 126.6 Ų | 126.6 | 82% | 0.82 | 78% | 0.777 | S | S | * | * | trans | -78.4 | 162.8 | 164.6 | -87.8 | -80.6 | 0 | 0 | 0 | 110 | ||||
| 74 | P | 38.9 | Very low | 34.3 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | cis | -152.9 | 162.2 | 48.9 | 41.5 | -19.7 | 0 | 0 | 0 | 120.6 | ||||
| 75 | N | 29.9 | Very low | 34.3 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | 27.7 | 117.4 | 139.1 | -52.7 | -9.6 | 0 | 0 | 0 | 120.5 | ||||
| 76 | S | 36.4 | Very low | 34.2 | Very low | 118 Ų | 118 | 136 Ų | 136 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | -153.3 | 133.8 | 116 | 43.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 77 | E | 32.6 | Very low | 34.3 | Very low | 187 Ų | 187 | 134.1 Ų | 134.1 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -30.6 | 152 | 158.6 | -62.5 | 157.3 | 135.5 | 0 | 0 | 114.7 | ||||
| 78 | S | 34 | Very low | 34.6 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | cis | -164.1 | 157.4 | 38.4 | 43.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 79 | C | 29.1 | Very low | 34.5 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 86% | 0.858 | 79% | 0.785 | S | S | * | * | trans | 51.7 | 110.4 | 149.5 | -64.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 80 | S | 35 | Very low | 34.7 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -84.4 | -155.4 | 144.7 | -43.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 81 | P | 43.1 | Very low | 34.7 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | cis | -141 | -165.6 | -11.7 | 25.2 | 2.5 | 0 | 0 | 0 | 115.1 | ||||
| 82 | E | 33.4 | Very low | 35.1 | Very low | 166 Ų | 166 | 144.2 Ų | 144.2 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | 84.9 | 115.5 | 152.5 | -53 | -150.4 | 134 | 0 | 0 | 121.8 | ||||
| 83 | S | 36.4 | Very low | 35.1 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | -142.1 | 136.8 | 113 | 60.6 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 84 | N | 33.1 | Very low | 35.5 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 67% | 0.674 | 80% | 0.799 | S | S | * | * | trans | -121 | 130.9 | -168.7 | -167.2 | -11.7 | 0 | 0 | 0 | 109.2 | ||||
| 85 | Y | 33 | Very low | 35.7 | Very low | 228 Ų | 228 | 142.8 Ų | 142.8 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | trans | -127.7 | 112.2 | -179.5 | -130.1 | -85.2 | 0 | 0 | 0 | 111 | ||||
| 86 | Q | 32.9 | Very low | 36 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | -75.2 | 146.6 | 179.1 | -73.7 | -85.2 | -35 | 0 | 0 | 112.5 | ||||
| 87 | P | 36.2 | Very low | 36.2 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | trans | -110.8 | 115.9 | 153.1 | 32.6 | -22.8 | 0 | 0 | 0 | 112.4 | ||||
| 88 | E | 39 | Very low | 36.6 | Very low | 179 Ų | 179 | 143.3 Ų | 143.3 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -15.8 | 136.1 | 159.9 | -68.6 | -81.7 | 115.3 | 0 | 0 | 118 | ||||
| 89 | K | 33.3 | Very low | 36.6 | Very low | 206 Ų | 206 | 143.7 Ų | 143.7 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | trans | -66.6 | 134.7 | 171.9 | -65.3 | 170.6 | -179.7 | 171.8 | 0 | 111.5 | ||||
| 90 | C | 35.5 | Very low | 37.1 | Very low | 119 Ų | 119 | 144.6 Ų | 144.6 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -133.7 | 139 | 161.2 | -85.6 | 0 | 0 | 0 | 0 | 110.1 | N92 | C90-N92 PolarHBondContact O-N 3.25Š| ||
| 91 | S | 37.5 | Very low | 37.3 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 126.2 | -169.9 | -50.4 | 0 | 0 | 0 | 0 | 113 | ||
| 92 | N | 40 | Very low | 37 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77 | 132.1 | 168.6 | -71.1 | -22.9 | 0 | 0 | 0 | 110.4 | C90 | C90-N92 PolarHBondContact O-N 3.25Š|
| 93 | P | 38.3 | Very low | 37.4 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 139.7 | 166.8 | 31.2 | -32.5 | 0 | 0 | 0 | 109.9 | V95 | P93-V95 PolarHBondContact O-N 3.2Å; P93-V95 VanDerWaalsContact O-N 3.16Å |
| 94 | I | 37.3 | Very low | 37.4 | Very low | 168 Ų | 168 | 141.9 Ų | 141.9 | 86% | 0.862 | 78% | 0.777 | S | S | * | * | trans | -68.9 | 110.8 | 175.7 | -64 | 167.8 | 0 | 0 | 0 | 108.5 | ||||
| 95 | V | 43.7 | Very low | 37.5 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | trans | -96.4 | 116.5 | 167.3 | -173.8 | 0 | 0 | 0 | 0 | 107.5 | P93 L97 | P93-V95 PolarHBondContact O-N 3.2Å; P93-V95 VanDerWaalsContact O-N 3.16Å; V95-L97 PolarHBondContact O-N 3.3Å | ||
| 96 | H | 37.3 | Very low | 37.5 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | -73.2 | 114 | 175.9 | -153.7 | 62.1 | 0 | 0 | 0 | 108.2 | ||||
| 97 | L | 39.6 | Very low | 37.9 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -102.6 | 90.9 | 178.5 | -151.1 | 78 | 0 | 0 | 0 | 108.8 | V95 S99 | V95-L97 PolarHBondContact O-N 3.3Å; L97-S99 PolarHBondContact O-N 3.29Å | ||
| 98 | E | 40.5 | Very low | 37.7 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | trans | -68 | 123.4 | 173 | -77.6 | 177 | 122.6 | 0 | 0 | 110.3 | H100 | E98-H100 VanDerWaalsContact C-N 3.31Å; E98-H100 PolarHBondContact O-N 3.4Å | ||
| 99 | S | 34.3 | Very low | 37.7 | Very low | 115 Ų | 115 | 136 Ų | 136 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -76.5 | 77.9 | 176.7 | 58.1 | 0 | 0 | 0 | 0 | 111.1 | L97 V101 | L97-S99 PolarHBondContact O-N 3.29Å; S99-V101 PolarHBondContact O-N 3.18Å | ||
| 100 | H | 40.5 | Very low | 37.9 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | trans | -78.1 | 98.4 | 171.2 | -81.5 | -70.5 | 0 | 0 | 0 | 111.4 | E98 N102 | E98-H100 VanDerWaalsContact C-N 3.31Å; E98-H100 PolarHBondContact O-N 3.4Å; H100-N102 PolarHBondContact O-N 3.43Å | ||
| 101 | V | 37.9 | Very low | 37.9 | Very low | 133 Ų | 133 | 136 Ų | 136 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | trans | -62.8 | 113 | 162.7 | 178 | 0 | 0 | 0 | 0 | 108.3 | S99 | S99-V101 PolarHBondContact O-N 3.18Š| ||
| 102 | N | 37.9 | Very low | 38.2 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | -119.8 | 120.3 | 170.2 | -108.5 | -34.9 | 0 | 0 | 0 | 108.8 | H100 G104 | H100-N102 PolarHBondContact O-N 3.43Å; N102-G104 PolarHBondContact O-N 3.46Å | ||
| 103 | P | 41.8 | Very low | 38.1 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | trans | -75.3 | 117.6 | 179.6 | 29.6 | -32.4 | 0 | 0 | 0 | 110.4 | Y105 | P103-Y105 PolarHBondContact O-N 2.99Š| ||
| 104 | G | 35.1 | Very low | 38 | Very low | 81 Ų | 81 | 141 Ų | 141 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -72.8 | 107.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | N102 | N102-G104 PolarHBondContact O-N 3.46Š| ||
| 105 | Y | 35.9 | Very low | 38 | Very low | 214 Ų | 214 | 138 Ų | 138 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -90 | 109.1 | 158.6 | -83.6 | -86.9 | 0 | 0 | 0 | 109.1 | P103 | P103-Y105 PolarHBondContact O-N 2.99Š| ||
| 106 | S | 32.9 | Very low | 37.5 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -112.9 | 103.3 | 166.6 | -170.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 107 | T | 41.2 | Very low | 37.6 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -100.3 | 105.7 | 165.5 | 47.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 108 | S | 32.7 | Very low | 37.5 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | -63.8 | 159.8 | 158.9 | 47.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 109 | V | 39.4 | Very low | 37.4 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | 158.7 | 134.1 | 125 | 162.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 110 | T | 36.8 | Very low | 37.7 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 54 | 104.3 | 168.8 | 51.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 111 | Q | 35 | Very low | 37.6 | Very low | 195 Ų | 195 | 144.7 Ų | 144.7 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | trans | -101.2 | 110.8 | 147.2 | -170.2 | 173 | 31.1 | 0 | 0 | 107.5 | ||||
| 112 | S | 44.1 | Very low | 37.7 | Very low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -99.1 | 139.2 | 169.2 | 47.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 113 | H | 38.6 | Very low | 37.7 | Very low | 179 Ų | 179 | 144 Ų | 144 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | -70.2 | 136.3 | 175.3 | -73.3 | -115.9 | 0 | 0 | 0 | 110.6 | ||||
| 114 | F | 35.2 | Very low | 37.6 | Very low | 204 Ų | 204 | 147.1 Ų | 147.1 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | -150.5 | 151.1 | 137.5 | -134.8 | -92.6 | 0 | 0 | 0 | 111.1 | ||||
| 115 | T | 37.4 | Very low | 37.4 | Very low | 104 Ų | 104 | 150.9 Ų | 150.9 | 64% | 0.638 | 80% | 0.797 | S | S | * | * | trans | -101.1 | 151 | -165.7 | 43.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 116 | E | 34.1 | Very low | 37.6 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | 60.8 | 116.8 | 138.6 | -168.6 | 170 | -153.8 | 0 | 0 | 119.8 | ||||
| 117 | T | 38.3 | Very low | 37.6 | Very low | 144 Ų | 144 | 151.2 Ų | 151.2 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | -173.9 | 160.3 | 115.9 | 22.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 118 | R | 37.9 | Very low | 37.6 | Very low | 227 Ų | 227 | 151.1 Ų | 151.1 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -81.1 | 155 | -173.6 | -64.5 | 165.8 | 161.7 | 140.5 | -8.4 | 113.3 | ||||
| 119 | N | 38 | Very low | 37.9 | Very low | 155 Ų | 155 | 149.8 Ų | 149.8 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | 179.3 | 140 | 112.6 | -88.7 | -19.7 | 0 | 0 | 0 | 113.4 | |||||
| 120 | P | 41.3 | Very low | 37.7 | Very low | 117 Ų | 117 | 147.6 Ų | 147.6 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -110.2 | 155.6 | 169.7 | 39 | -30.4 | 0 | 0 | 0 | 113.6 | ||||
| 121 | M | 39 | Very low | 37.8 | Very low | 163 Ų | 163 | 150.1 Ų | 150.1 | 80% | 0.803 | 80% | 0.8 | S | S | * | * | trans | -149.2 | 131 | 157.6 | -95.9 | -166.9 | 69.1 | 0 | 0 | 107.9 | ||||
| 122 | T | 39.1 | Very low | 37.7 | Very low | 98 Ų | 98 | 147.4 Ų | 147.4 | 60% | 0.601 | 79% | 0.792 | S | S | * | * | 66.4 | 124.6 | 70 | -52.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 123 | E | 38.8 | Very low | 37.4 | Very low | 166 Ų | 166 | 148.3 Ų | 148.3 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | cis | -169.9 | 161.2 | -4 | -109.9 | 166.5 | -164.4 | 0 | 0 | 105.5 | ||||
| 124 | L | 39 | Very low | 37.2 | Very low | 166 Ų | 166 | 148.2 Ų | 148.2 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | 166.6 | 126.9 | 126.3 | -90.1 | 167 | 0 | 0 | 0 | 113.2 | |||||
| 125 | N | 31.2 | Very low | 37.3 | Very low | 160 Ų | 160 | 147 Ų | 147 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -115.8 | 142.6 | 170.3 | -89.6 | -35.2 | 0 | 0 | 0 | 109.8 | ||||
| 126 | T | 39.5 | Very low | 37.1 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -169.5 | 109.8 | 153.9 | -66 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 127 | Y | 34 | Very low | 37.3 | Very low | 212 Ų | 212 | 143.4 Ų | 143.4 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | 81.2 | 153.4 | 61.6 | -165 | -100.7 | 0 | 0 | 0 | 114.4 | |||||
| 128 | V | 40.9 | Very low | 37.2 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | 73.5 | 129.9 | -170.7 | -162.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 129 | G | 37.7 | Very low | 37.1 | Very low | 72 Ų | 72 | 136.2 Ų | 136.2 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | cis | 174.6 | 143.9 | -5.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 130 | G | 35.2 | Very low | 37.1 | Very low | 75 Ų | 75 | 135.9 Ų | 135.9 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -118.1 | 161.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 131 | Q | 40 | Very low | 36.9 | Very low | 181 Ų | 181 | 139.5 Ų | 139.5 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -149.8 | 138.6 | 152 | -67.9 | -158.8 | 28.1 | 0 | 0 | 110.6 | ||||
| 132 | N | 32.9 | Very low | 36.8 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | 8.5 | 149.1 | 137 | -44.3 | -27.9 | 0 | 0 | 0 | 117.7 | ||||
| 133 | T | 37.5 | Very low | 36.8 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | cis | -165 | 178 | 34.3 | -25.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 134 | E | 33.8 | Very low | 36.7 | Very low | 176 Ų | 176 | 143 Ų | 143 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -48.7 | 151.7 | 175.1 | -54.7 | 166.8 | 146 | 0 | 0 | 115.6 | ||||
| 135 | L | 37.8 | Very low | 36.8 | Very low | 180 Ų | 180 | 141.3 Ų | 141.3 | 94% | 0.942 | 79% | 0.79 | S | S | * | * | -174.4 | 155.5 | 125.3 | -99.5 | 165.4 | 0 | 0 | 0 | 111.7 | |||||
| 136 | A | 33.8 | Very low | 37.3 | Very low | 85 Ų | 85 | 143.1 Ų | 143.1 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | trans | -96.7 | 178.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 137 | S | 38.3 | Very low | 37.3 | Very low | 114 Ų | 114 | 141 Ų | 141 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | 88.2 | 108.5 | 157.8 | -53.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 138 | S | 35.7 | Very low | 38 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | 53.7 | 139.7 | 118.9 | -160.6 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 139 | T | 36.1 | Very low | 38.7 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | 71 | 105.8 | 157.2 | -54.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 140 | N | 37.4 | Very low | 39 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -158.5 | 103.1 | 131.6 | -104.2 | -56.7 | 0 | 0 | 0 | 111.4 | R142 | N140-R142 PolarHBondContact O-N 3.4Š| ||
| 141 | Q | 37.8 | Very low | 39.7 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | trans | -72.9 | 111.3 | 151.3 | -66.5 | 175.9 | 6.8 | 0 | 0 | 107.2 | ||||
| 142 | R | 37.1 | Very low | 40.4 | Very low | 208 Ų | 208 | 141.6 Ų | 141.6 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -155 | 116.9 | 160.4 | -150.6 | 158.6 | 179.7 | 153.1 | 0.6 | 115.3 | N140 | N140-R142 PolarHBondContact O-N 3.4Š| ||
| 143 | L | 38.1 | Very low | 41.6 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 69% | 0.686 | 75% | 0.75 | S | S | * | * | trans | 55.2 | 110.9 | 148.7 | -62.4 | 175 | 0 | 0 | 0 | 117.7 | ||||
| 144 | M | 36.2 | Very low | 42.4 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 80% | 0.798 | 74% | 0.735 | S | S | * | * | 99.4 | 161 | 63.3 | -86.6 | -70.3 | 172.2 | 0 | 0 | 112.5 | |||||
| 145 | T | 41.3 | Very low | 43.6 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 80% | 0.798 | 72% | 0.721 | S | S | * | * | trans | 63.4 | 88.9 | 171.2 | 65.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 146 | Q | 42.5 | Very low | 44.6 | Very low | 198 Ų | 198 | 138 Ų | 138 | 93% | 0.925 | 71% | 0.713 | S | S | * | * | S | Bend | -143.8 | 133.4 | 123.7 | -71.5 | -154.4 | 11.5 | 0 | 0 | 111.7 | |||
| 147 | S | 38.7 | Very low | 45.8 | Very low | 82 Ų | 82 | 138.4 Ų | 138.4 | 57% | 0.573 | 70% | 0.702 | S | S | * | * | trans | 55.7 | 104.1 | 166.5 | -159.5 | 0 | 0 | 0 | 0 | 121.4 | Q149 | S147-Q149 PolarHBondContact O-N 3.44Å; S147-Q149 VanDerWaalsContact O-N 3.14Å | ||
| 148 | P | 49.2 | Very low | 46.7 | Very low | 100 Ų | 100 | 140.1 Ų | 140.1 | 65% | 0.649 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 1.3 | 170.4 | -19.3 | 33.1 | 0 | 0 | 0 | 116.5 | ||
| 149 | Q | 55.5 | Low | 48 | Very low | 151 Ų | 151 | 143 Ų | 143 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -72.9 | -35.9 | -173.4 | -71.1 | -82.4 | -3.7 | 0 | 0 | 112.8 | S147 | S147-Q149 PolarHBondContact O-N 3.44Å; S147-Q149 VanDerWaalsContact O-N 3.14Å |
| 150 | F | 44.9 | Very low | 48.7 | Very low | 155 Ų | 155 | 144.9 Ų | 144.9 | 68% | 0.68 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -73.6 | -38.9 | -170.9 | -152.6 | -100.7 | 0 | 0 | 0 | 113.2 | K152 K153 L154 | F150-K152 VanDerWaalsContact C-N 3.34Å; F150-K152 PolarHBondContact O-N 3.15Å; F150-K153 PolarHBondContact O-N 3.31Å; F150-L154 HydrophobicContact CD1-CD1 4.13Å; F150-L154 HydrophobicContact CE1-CD1 4.1Å; F150-L154 PolarHBondContact O-N 3.4Å |
| 151 | L | 49.5 | Very low | 49.6 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 62% | 0.623 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -67.6 | -29.5 | -179.2 | -83.5 | 160.4 | 0 | 0 | 0 | 113.6 | K153 N155 | L151-K153 VanDerWaalsContact C-N 3.31Å; L151-K153 PolarHBondContact O-N 3.05Å; L151-N155 WeakPolarHBondContact O-CB 3.4Å; L151-N155 PolarHBondContact O-N 3.42Å; L151-N155 VanDerWaalsContact O-N 3.09Å |
| 152 | K | 55.5 | Low | 50.5 | Low | 156 Ų | 156 | 139.1 Ų | 139.1 | 68% | 0.678 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -68 | -31.4 | 174.5 | -65.7 | -174.1 | -178.8 | -179.7 | 0 | 112.1 | F150 R156 | F150-K152 VanDerWaalsContact C-N 3.34Å; F150-K152 PolarHBondContact O-N 3.15Å; K152-R156 PolarHBondContact O-N 3.37Å; K152-R156 VanDerWaalsContact O-N 3.1Å |
| 153 | K | 57.4 | Low | 51.5 | Low | 154 Ų | 154 | 132.9 Ų | 132.9 | 67% | 0.67 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.4 | -43.5 | 179.6 | -143.3 | 169.5 | -174 | 177.4 | 0 | 111.5 | F150 L151 R156 I157 | F150-K153 PolarHBondContact O-N 3.31Å; L151-K153 VanDerWaalsContact C-N 3.31Å; L151-K153 PolarHBondContact O-N 3.05Å; K153-R156 PolarHBondContact O-N 3.29Å; K153-I157 WeakPolarHBondContact O-CG1 3.39Å; K153-I157 PolarHBondContact O-N 2.93Å; K153-I157 VanDerWaalsContact O-N 3.09Å |
| 154 | L | 54.7 | Low | 52.1 | Low | 88 Ų | 88 | 132.8 Ų | 132.8 | 46% | 0.461 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -64.4 | -39.4 | 173.6 | -79.9 | 166.8 | 0 | 0 | 0 | 112.8 | F150 R156 I157 K158 | F150-L154 HydrophobicContact CD1-CD1 4.13Å; F150-L154 HydrophobicContact CE1-CD1 4.1Å; F150-L154 PolarHBondContact O-N 3.4Å; L154-R156 VanDerWaalsContact C-N 3.33Å; L154-R156 PolarHBondContact O-N 3.14Å; L154-I157 PolarHBondContact O-N 3.23Å; L154-K158 PolarHBondContact O-N 3.33Å |
| 155 | N | 57.4 | Low | 52.5 | Low | 100 Ų | 100 | 132.2 Ų | 132.2 | 54% | 0.535 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -69 | -29.8 | 175.6 | -75.7 | -16.6 | 0 | 0 | 0 | 112.9 | L151 K159 | L151-N155 WeakPolarHBondContact O-CB 3.4Å; L151-N155 PolarHBondContact O-N 3.42Å; L151-N155 VanDerWaalsContact O-N 3.09Å; N155-K159 WeakPolarHBondContact O-CB 3.41Å; N155-K159 PolarHBondContact O-N 3.36Å |
| 156 | R | 59.7 | Low | 52.4 | Low | 203 Ų | 203 | 131.4 Ų | 131.4 | 77% | 0.766 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.9 | -39.7 | 173.3 | -148.4 | 173.9 | -164.4 | 169.2 | 3.6 | 111.9 | K152 K153 L154 K159 Y160 | K152-R156 PolarHBondContact O-N 3.37Å; K152-R156 VanDerWaalsContact O-N 3.1Å; K153-R156 PolarHBondContact O-N 3.29Å; L154-R156 VanDerWaalsContact C-N 3.33Å; L154-R156 PolarHBondContact O-N 3.14Å; R156-K159 PolarHBondContact O-N 3.47Å; R156-Y160 PolarHBondContact O-N 2.95Å |
| 157 | I | 59.4 | Low | 52.3 | Low | 95 Ų | 95 | 128.2 Ų | 128.2 | 49% | 0.487 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -68 | -43.8 | 175.2 | -66.7 | 167.2 | 0 | 0 | 0 | 111 | K153 L154 K159 Y160 I161 | K153-I157 WeakPolarHBondContact O-CG1 3.39Å; K153-I157 PolarHBondContact O-N 2.93Å; K153-I157 VanDerWaalsContact O-N 3.09Å; L154-I157 PolarHBondContact O-N 3.23Å; I157-K159 VanDerWaalsContact C-N 3.33Å; I157-K159 PolarHBondContact O-N 3.14Å; I157-Y160 PolarHBondContact O-N 3.06Å; I157-I161 HydrophobicContact CG2-CD1 3.88Å; I157-I161 WeakPolarHBondContact O-CG1 3.42Å; I157-I161 PolarHBondContact O-N 2.97Å |
| 158 | K | 57 | Low | 52.2 | Low | 150 Ų | 150 | 133.4 Ų | 133.4 | 65% | 0.652 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -57.2 | -45.4 | 171.2 | -84.9 | -171.8 | 172.1 | -176.8 | 0 | 111.5 | L154 Y160 I161 T162 | L154-K158 PolarHBondContact O-N 3.33Å; K158-Y160 VanDerWaalsContact C-N 3.29Å; K158-Y160 PolarHBondContact O-N 3.17Å; K158-I161 PolarHBondContact O-N 3.25Å; K158-T162 PolarHBondContact O-N 3.5Å; K158-T162 PolarHBondContact O-OG1 3.27Å |
| 159 | K | 62.4 | Low | 52.2 | Low | 166 Ų | 166 | 134.3 Ų | 134.3 | 72% | 0.722 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -62.7 | -33.9 | 178.7 | -156.9 | 170.8 | -171.7 | 178.9 | 0 | 112.9 | N155 R156 I157 S163 | N155-K159 WeakPolarHBondContact O-CB 3.41Å; N155-K159 PolarHBondContact O-N 3.36Å; R156-K159 PolarHBondContact O-N 3.47Å; I157-K159 VanDerWaalsContact C-N 3.33Å; I157-K159 PolarHBondContact O-N 3.14Å; K159-S163 WeakPolarHBondContact O-CB 3.39Å; K159-S163 PolarHBondContact O-N 3.43Å; K159-S163 PolarHBondContact O-OG 3.37Å |
| 160 | Y | 51.3 | Low | 51.6 | Low | 154 Ų | 154 | 136 Ų | 136 | 60% | 0.604 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.4 | -37.7 | 175.3 | -129.8 | -93.8 | 0 | 0 | 0 | 112.9 | R156 I157 K158 T162 S163 H164 | R156-Y160 PolarHBondContact O-N 2.95Å; I157-Y160 PolarHBondContact O-N 3.06Å; K158-Y160 VanDerWaalsContact C-N 3.29Å; K158-Y160 PolarHBondContact O-N 3.17Å; Y160-T162 VanDerWaalsContact C-N 3.34Å; Y160-S163 WeakPolarHBondContact CA-OG 3.47Å; Y160-S163 PolarHBondContact O-N 3.41Å; Y160-S163 PolarHBondContact O-OG 2.8Å; Y160-H164 AromaticContact CD1-CD2 3.54Å; Y160-H164 AromaticContact CD1-NE2 3.75Å; Y160-H164 AromaticContact CE1-CD2 3.6Å; Y160-H164 AromaticContact CE1-NE2 3.27Å; Y160-H164 VanDerWaalsContact CE1-NE2 3.27Å; Y160-H164 WeakPolarHBondContact CE1-NE2 3.38Å; Y160-H164 PolarHBondContact O-CD2 3.43Å; Y160-H164 PolarHBondContact O-N 3.44Å |
| 161 | I | 55.6 | Low | 51.2 | Low | 124 Ų | 124 | 136.4 Ų | 136.4 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.7 | -31 | 175.7 | -65.1 | 168 | 0 | 0 | 0 | 110.9 | I157 K158 | I157-I161 HydrophobicContact CG2-CD1 3.88Å; I157-I161 WeakPolarHBondContact O-CG1 3.42Å; I157-I161 PolarHBondContact O-N 2.97Å; K158-I161 PolarHBondContact O-N 3.25Å |
| 162 | T | 57.2 | Low | 51.3 | Low | 96 Ų | 96 | 136.4 Ų | 136.4 | 59% | 0.589 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -77.3 | -28.9 | 172.8 | -43.6 | 0 | 0 | 0 | 0 | 113.1 | K158 Y160 | K158-T162 PolarHBondContact O-N 3.5Å; K158-T162 PolarHBondContact O-OG1 3.27Å; Y160-T162 VanDerWaalsContact C-N 3.34Å |
| 163 | S | 57.2 | Low | 51.3 | Low | 77 Ų | 77 | 135 Ų | 135 | 54% | 0.538 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -81.5 | -15.2 | 178.4 | 65 | 0 | 0 | 0 | 0 | 114.6 | K159 Y160 | K159-S163 WeakPolarHBondContact O-CB 3.39Å; K159-S163 PolarHBondContact O-N 3.43Å; K159-S163 PolarHBondContact O-OG 3.37Å; Y160-S163 WeakPolarHBondContact CA-OG 3.47Å; Y160-S163 PolarHBondContact O-N 3.41Å; Y160-S163 PolarHBondContact O-OG 2.8Å |
| 164 | H | 50.8 | Low | 50.8 | Low | 128 Ų | 128 | 133 Ų | 133 | 59% | 0.593 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 33.4 | 174.7 | -75.6 | -70.3 | 0 | 0 | 0 | 113 | Y160 V166 | Y160-H164 AromaticContact CD1-CD2 3.54Å; Y160-H164 AromaticContact CD1-NE2 3.75Å; Y160-H164 AromaticContact CE1-CD2 3.6Å; Y160-H164 AromaticContact CE1-NE2 3.27Å; Y160-H164 VanDerWaalsContact CE1-NE2 3.27Å; Y160-H164 WeakPolarHBondContact CE1-NE2 3.38Å; Y160-H164 PolarHBondContact O-CD2 3.43Å; Y160-H164 PolarHBondContact O-N 3.44Å; H164-V166 PolarHBondContact O-N 3.07Å |
| 165 | Q | 44.8 | Very low | 50.3 | Low | 151 Ų | 151 | 132.7 Ų | 132.7 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | trans | -62.7 | 125 | 157 | -71.7 | -165.3 | -9.2 | 0 | 0 | 108.6 | T167 | Q165-T167 PolarHBondContact O-N 3.38Š| ||
| 166 | V | 40.6 | Very low | 50 | Low | 112 Ų | 112 | 135.8 Ų | 135.8 | 68% | 0.679 | 70% | 0.695 | S | S | * | * | trans | -65 | 107.7 | 173.4 | 175.2 | 0 | 0 | 0 | 0 | 107.6 | H164 Y168 | H164-V166 PolarHBondContact O-N 3.07Å; V166-Y168 WeakPolarHBondContact O-CD2 3.24Å; V166-Y168 PolarHBondContact O-N 3.37Å | ||
| 167 | T | 39.3 | Very low | 49.6 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 81% | 0.81 | 70% | 0.695 | S | S | * | * | trans | -65.7 | 101.1 | 175.9 | -56.5 | 0 | 0 | 0 | 0 | 109.4 | Q165 | Q165-T167 PolarHBondContact O-N 3.38Š| ||
| 168 | Y | 37.7 | Very low | 49.2 | Very low | 190 Ų | 190 | 132.7 Ų | 132.7 | 75% | 0.745 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 146.1 | 162.2 | -70.3 | -89.1 | 0 | 0 | 0 | 109.4 | V166 Q170 | V166-Y168 WeakPolarHBondContact O-CD2 3.24Å; V166-Y168 PolarHBondContact O-N 3.37Å; Y168-Q170 PolarHBondContact O-N 3.26Å |
| 169 | P | 48.1 | Very low | 48.6 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 77% | 0.773 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 123.5 | 177.3 | -21.2 | 32.2 | 0 | 0 | 0 | 110.4 | L171 | P169-L171 PolarHBondContact O-N 3.01Š|
| 170 | Q | 43.3 | Very low | 48.1 | Very low | 186 Ų | 186 | 127.4 Ų | 127.4 | 87% | 0.869 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 119.8 | 168.1 | -85.3 | -147.2 | -8.9 | 0 | 0 | 109.1 | Y168 | Y168-Q170 PolarHBondContact O-N 3.26Š|
| 171 | L | 36.9 | Very low | 48.1 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 86% | 0.859 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 134.5 | 163 | -70.2 | 168.6 | 0 | 0 | 0 | 108.7 | P169 | P169-L171 PolarHBondContact O-N 3.01Š|
| 172 | T | 51.6 | Low | 47.6 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 74% | 0.736 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 141.7 | -178.7 | 44.2 | 0 | 0 | 0 | 0 | 111.5 | V174 | T172-V174 PolarHBondContact O-N 2.83Å; T172-V174 VanDerWaalsContact O-N 3.08Å |
| 173 | P | 54.6 | Low | 47.3 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | trans | -68.3 | 111 | 179.2 | 27.4 | -33.3 | 0 | 0 | 0 | 110.3 | ||||
| 174 | V | 46.8 | Very low | 46.9 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 69% | 0.685 | 69% | 0.689 | S | S | * | * | trans | -63.8 | 137.2 | 167.6 | 177.5 | 0 | 0 | 0 | 0 | 108.7 | T172 V178 | T172-V174 PolarHBondContact O-N 2.83Å; T172-V174 VanDerWaalsContact O-N 3.08Å; V174-V178 HydrophobicContact CG1-CG2 4.16Å | ||
| 175 | S | 45.3 | Very low | 46.9 | Very low | 80 Ų | 80 | 130.1 Ų | 130.1 | 56% | 0.559 | 70% | 0.696 | S | S | * | * | trans | -55.5 | 140.5 | -172.5 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | N177 V178 | S175-N177 PolarHBondContact O-N 3.34Å; S175-V178 PolarHBondContact O-N 3.36Å | ||
| 176 | Q | 49.7 | Very low | 47.1 | Very low | 166 Ų | 166 | 127.7 Ų | 127.7 | 78% | 0.776 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -57.2 | -20.1 | -174.6 | -74.1 | 173 | -47.5 | 0 | 0 | 114.3 | V178 L179 | Q176-V178 PolarHBondContact O-N 2.99Å; Q176-V178 VanDerWaalsContact O-N 3.13Å; Q176-L179 PolarHBondContact O-N 2.93Å; Q176-L179 VanDerWaalsContact O-N 3.15Å |
| 177 | N | 52.6 | Low | 47.6 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -64.1 | -13 | 178.1 | -72.9 | -14 | 0 | 0 | 0 | 114.9 | S175 | S175-N177 PolarHBondContact O-N 3.34Š|
| 178 | V | 50.4 | Low | 48.2 | Very low | 91 Ų | 91 | 130 Ų | 130 | 55% | 0.552 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -87.4 | -25.5 | 175.5 | -175.4 | 0 | 0 | 0 | 0 | 112.3 | V174 S175 Q176 | V174-V178 HydrophobicContact CG1-CG2 4.16Å; S175-V178 PolarHBondContact O-N 3.36Å; Q176-V178 PolarHBondContact O-N 2.99Å; Q176-V178 VanDerWaalsContact O-N 3.13Å |
| 179 | L | 44.9 | Very low | 48.4 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 66% | 0.66 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -31.7 | -176.4 | -92.4 | 156.5 | 0 | 0 | 0 | 113.4 | Q176 R181 V182 S183 | Q176-L179 PolarHBondContact O-N 2.93Å; Q176-L179 VanDerWaalsContact O-N 3.15Å; L179-R181 VanDerWaalsContact C-N 3.29Å; L179-R181 PolarHBondContact O-N 2.95Å; L179-V182 PolarHBondContact O-N 2.94Å; L179-V182 VanDerWaalsContact O-N 3.1Å; L179-S183 PolarHBondContact O-N 3.21Å |
| 180 | T | 52.1 | Low | 48.1 | Very low | 79 Ų | 79 | 132.8 Ų | 132.8 | 49% | 0.485 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -63.1 | -31.8 | -176.7 | -37 | 0 | 0 | 0 | 0 | 113.3 | V182 S183 | T180-V182 VanDerWaalsContact C-N 3.33Å; T180-V182 PolarHBondContact O-N 3.1Å; T180-S183 WeakPolarHBondContact CA-OG 3.44Å; T180-S183 PolarHBondContact O-OG 2.66Å |
| 181 | R | 49.6 | Very low | 48.2 | Very low | 198 Ų | 198 | 130.4 Ų | 130.4 | 75% | 0.747 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -76 | -16.4 | 177 | -75.2 | -168 | 174.2 | -179.4 | 0.2 | 114.5 | L179 | L179-R181 VanDerWaalsContact C-N 3.29Å; L179-R181 PolarHBondContact O-N 2.95Å |
| 182 | V | 45.8 | Very low | 48.3 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 61% | 0.606 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -85.5 | -29.5 | 176 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | L179 T180 | L179-V182 PolarHBondContact O-N 2.94Å; L179-V182 VanDerWaalsContact O-N 3.1Å; T180-V182 VanDerWaalsContact C-N 3.33Å; T180-V182 PolarHBondContact O-N 3.1Å |
| 183 | S | 50.3 | Low | 47.9 | Very low | 63 Ų | 63 | 134.1 Ų | 134.1 | 44% | 0.441 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -69.4 | -28.8 | 173.2 | 37.2 | 0 | 0 | 0 | 0 | 114.3 | L179 T180 | L179-S183 PolarHBondContact O-N 3.21Å; T180-S183 WeakPolarHBondContact CA-OG 3.44Å; T180-S183 PolarHBondContact O-OG 2.66Å |
| 184 | E | 50.6 | Low | 47.5 | Very low | 134 Ų | 134 | 132.6 Ų | 132.6 | 63% | 0.626 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -74.7 | -31.5 | -178.8 | -71.4 | 175.6 | 157.3 | 0 | 0 | 113 | ||
| 185 | I | 50.4 | Low | 47.4 | Very low | 142 Ų | 142 | 136.6 Ų | 136.6 | 73% | 0.728 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -77.8 | -25.2 | 179.7 | -59.9 | 175 | 0 | 0 | 0 | 111.6 | N187 | I185-N187 VanDerWaalsContact C-N 3.33Å; I185-N187 PolarHBondContact O-N 3.41Å |
| 186 | S | 49.3 | Very low | 47.3 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -13.6 | -177.8 | -167.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 187 | N | 50.2 | Low | 46.7 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -1.3 | -175.5 | -73.5 | -25.4 | 0 | 0 | 0 | 114.2 | I185 | I185-N187 VanDerWaalsContact C-N 3.33Å; I185-N187 PolarHBondContact O-N 3.41Å |
| 188 | Q | 51.1 | Low | 45.9 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -117.1 | 62.2 | -174.8 | -157.8 | 69.5 | 34.2 | 0 | 0 | 112.8 | ||
| 189 | R | 43.7 | Very low | 45.3 | Very low | 222 Ų | 222 | 140.5 Ų | 140.5 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | trans | -168.4 | 70.3 | 160.1 | -105.9 | 159.5 | -153 | -155.2 | 6.2 | 112.7 | I191 | R189-I191 HydrophobicContact CG-CD1 4.11Å; R189-I191 HydrophobicContact CG-CG1 4.41Å; R189-I191 PolarHBondContact O-N 3.36Å | ||
| 190 | T | 40.1 | Very low | 44.8 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | trans | -66.3 | 108.8 | 155.8 | -18.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 191 | I | 46.9 | Very low | 43.9 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | -128.8 | 132.7 | 170.9 | -61.4 | -178.8 | 0 | 0 | 0 | 107.7 | R189 | R189-I191 HydrophobicContact CG-CD1 4.11Å; R189-I191 HydrophobicContact CG-CG1 4.41Å; R189-I191 PolarHBondContact O-N 3.36Å | ||
| 192 | D | 38.1 | Very low | 43.3 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | -64.1 | 132.3 | -163.5 | -68 | -55.4 | 0 | 0 | 0 | 115.1 | S194 | D192-S194 PolarHBondContact O-N 3.06Å; D192-S194 VanDerWaalsContact O-N 3.08Å | ||
| 193 | K | 42.6 | Very low | 42.8 | Very low | 221 Ų | 221 | 144.7 Ų | 144.7 | 96% | 0.961 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -82 | 36.7 | 177.6 | -68.1 | -177.5 | 174.3 | 177.3 | 0 | 113.8 | ||
| 194 | S | 46.3 | Very low | 42.2 | Very low | 94 Ų | 94 | 151.4 Ų | 151.4 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | trans | -114.3 | 3.4 | -169.1 | 60.4 | 0 | 0 | 0 | 0 | 116.2 | D192 | D192-S194 PolarHBondContact O-N 3.06Å; D192-S194 VanDerWaalsContact O-N 3.08Å | ||
| 195 | K | 46.1 | Very low | 41.5 | Very low | 197 Ų | 197 | 151 Ų | 151 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | -134.7 | 60 | -178.8 | -69.3 | -176.1 | 179.3 | 174.7 | 0 | 114.5 | ||||
| 196 | I | 41.7 | Very low | 41 | Very low | 168 Ų | 168 | 150.4 Ų | 150.4 | 86% | 0.862 | 78% | 0.777 | S | S | * | * | trans | -132.3 | 89.3 | 160.4 | -56 | -179.2 | 0 | 0 | 0 | 108.5 | ||||
| 197 | N | 37.3 | Very low | 40.4 | Very low | 167 Ų | 167 | 155.7 Ų | 155.7 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | -158.6 | 145.4 | 163.5 | -105.6 | -29 | 0 | 0 | 0 | 110 | ||||
| 198 | A | 37.3 | Very low | 40 | Very low | 89 Ų | 89 | 155.3 Ų | 155.3 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | 77.2 | 147.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 199 | V | 37.2 | Very low | 39.3 | Very low | 137 Ų | 137 | 153.6 Ų | 153.6 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | 69.8 | 111.3 | 167.9 | -158.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 200 | C | 34.1 | Very low | 39.2 | Very low | 113 Ų | 113 | 148.3 Ų | 148.3 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | -158.5 | 136.8 | 53.5 | -152.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 201 | Y | 33.7 | Very low | 39.1 | Very low | 218 Ų | 218 | 146.4 Ų | 146.4 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -106.8 | 155.6 | 160.2 | -103.9 | -83.7 | 0 | 0 | 0 | 109.5 | ||||
| 202 | N | 37 | Very low | 38.8 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 61% | 0.61 | 79% | 0.789 | S | S | * | * | trans | 83.4 | 110 | 166.1 | -74.3 | -72.6 | 0 | 0 | 0 | 120.4 | ||||
| 203 | K | 35.5 | Very low | 38.5 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 64% | 0.635 | 80% | 0.795 | S | S | * | * | 91.4 | 117.8 | 119.6 | -74.4 | 171.8 | -176.6 | 126.8 | 0 | 120.7 | |||||
| 204 | R | 38 | Very low | 38.3 | Very low | 204 Ų | 204 | 139.6 Ų | 139.6 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | 88.6 | 111.5 | 126 | -76.5 | -179.2 | -165.6 | 165.2 | 1.4 | 120.1 | |||||
| 205 | T | 35.4 | Very low | 37.8 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | 50.9 | 108.5 | 127.3 | 62.3 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 206 | V | 38.9 | Very low | 37.3 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | trans | -140.7 | 135.3 | 136.5 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | T208 | V206-T208 HydrophobicContact CG1-CG2 3.97Š| ||
| 207 | K | 37.5 | Very low | 37 | Very low | 210 Ų | 210 | 138 Ų | 138 | 91% | 0.913 | 79% | 0.787 | S | S | * | * | trans | -94.5 | 125.9 | 160.6 | -78.8 | -178 | 174.8 | -177.3 | 0 | 107.6 | ||||
| 208 | T | 41.3 | Very low | 37.2 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | -142.9 | 126.7 | 162 | 42.2 | 0 | 0 | 0 | 0 | 109.8 | V206 | V206-T208 HydrophobicContact CG1-CG2 3.97Š| ||
| 209 | S | 36.9 | Very low | 37.3 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | -68.8 | 123.4 | 166.5 | 48 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 210 | S | 41 | Very low | 37.5 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -167.9 | 137.2 | 150.3 | -172.7 | 0 | 0 | 0 | 0 | 109 | A212 | S210-A212 PolarHBondContact O-N 3.09Š| ||
| 211 | A | 38.1 | Very low | 38.1 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 88% | 0.876 | 78% | 0.777 | S | S | * | * | trans | -76.4 | 116.1 | 172 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 212 | A | 41.4 | Very low | 38.5 | Very low | 77 Ų | 77 | 136.8 Ų | 136.8 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | -141 | 116.6 | 168 | 0 | 0 | 0 | 0 | 0 | 109 | S210 N214 | S210-A212 PolarHBondContact O-N 3.09Å; A212-N214 PolarHBondContact O-N 3.09Å | ||
| 213 | C | 32.2 | Very low | 38.7 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -65.9 | 111.3 | 179.2 | -57.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 214 | N | 38.4 | Very low | 38.8 | Very low | 147 Ų | 147 | 136.4 Ų | 136.4 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -108.4 | 101.8 | 169.8 | -82.3 | -38.8 | 0 | 0 | 0 | 110 | A212 M216 | A212-N214 PolarHBondContact O-N 3.09Å; N214-M216 PolarHBondContact O-N 3.36Å | ||
| 215 | V | 35.8 | Very low | 38.7 | Very low | 128 Ų | 128 | 134 Ų | 134 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -70.2 | 111.1 | 172.7 | 177.4 | 0 | 0 | 0 | 0 | 108.9 | V217 | V215-V217 HydrophobicContact CG1-CG2 3.83Š| ||
| 216 | M | 34.2 | Very low | 38.6 | Very low | 167 Ų | 167 | 138.6 Ų | 138.6 | 82% | 0.823 | 80% | 0.798 | S | S | * | * | trans | -98 | 102.1 | 168.3 | -83.2 | -93 | -74.6 | 0 | 0 | 109.1 | N214 | N214-M216 PolarHBondContact O-N 3.36Š| ||
| 217 | V | 35.1 | Very low | 38.3 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | trans | -83.2 | 114.2 | 172.2 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | V215 | V215-V217 HydrophobicContact CG1-CG2 3.83Š| ||
| 218 | V | 41.5 | Very low | 38.3 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 67% | 0.667 | 80% | 0.795 | S | S | * | * | trans | -107.5 | 128.7 | 168.6 | -179 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 219 | P | 41.2 | Very low | 37.8 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 142.6 | -177.9 | 28.6 | -34.1 | 0 | 0 | 0 | 112.5 | ||
| 220 | I | 40.6 | Very low | 37.6 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 133.3 | -168.5 | -64 | 161 | 0 | 0 | 0 | 112 | ||
| 221 | S | 45.6 | Very low | 37.3 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 142.1 | 157.6 | 57.2 | 0 | 0 | 0 | 0 | 110.4 | S223 | S221-S223 PolarHBondContact O-N 3.04Š|
| 222 | K | 43.7 | Very low | 37.6 | Very low | 204 Ų | 204 | 138.6 Ų | 138.6 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -77.4 | 113.9 | -163.2 | -59.8 | 169.5 | -180 | 175.5 | 0 | 113.9 | ||
| 223 | S | 39.7 | Very low | 37.5 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | 175.1 | 154 | 126.8 | 52 | 0 | 0 | 0 | 0 | 111 | S221 | S221-S223 PolarHBondContact O-N 3.04Š| |||
| 224 | D | 39 | Very low | 37.8 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | trans | 70.7 | 70.5 | 168.7 | -53.2 | -12.7 | 0 | 0 | 0 | 117.7 | ||||
| 225 | L | 35.9 | Very low | 37.9 | Very low | 155 Ų | 155 | 142 Ų | 142 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | -93.6 | 106.3 | 154.4 | -89.1 | 165 | 0 | 0 | 0 | 109.9 | ||||
| 226 | Y | 31.8 | Very low | 38 | Very low | 221 Ų | 221 | 141.5 Ų | 141.5 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | trans | -100.3 | 100.4 | 155.2 | -94.6 | -83.9 | 0 | 0 | 0 | 108.9 | I228 | Y226-I228 PolarHBondContact O-N 3.28Š| ||
| 227 | L | 33.6 | Very low | 38 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | trans | -88 | 97.4 | 171 | -157.6 | 79.1 | 0 | 0 | 0 | 108.2 | G229 | L227-G229 PolarHBondContact O-N 3.37Š| ||
| 228 | I | 36.4 | Very low | 38.1 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | -79.4 | 104.4 | 161.9 | -64.7 | -178.8 | 0 | 0 | 0 | 106.2 | Y226 | Y226-I228 PolarHBondContact O-N 3.28Š| ||
| 229 | G | 31.3 | Very low | 38 | Very low | 57 Ų | 57 | 144.1 Ų | 144.1 | 59% | 0.588 | 77% | 0.77 | S | S | * | * | trans | -71.6 | 135.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | L227 | L227-G229 PolarHBondContact O-N 3.37Š| ||
| 230 | H | 33.3 | Very low | 37.7 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | trans | -122 | 90.3 | 152.1 | -141.7 | -65.3 | 0 | 0 | 0 | 107.5 | V232 | H230-V232 WeakPolarHBondContact ND1-CG2 3.43Å; H230-V232 PolarHBondContact O-N 3.48Å | ||
| 231 | L | 34.3 | Very low | 37.5 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | -72.4 | 120.9 | 163.2 | -121.5 | 78.3 | 0 | 0 | 0 | 106.8 | ||||
| 232 | V | 45 | Very low | 37 | Very low | 118 Ų | 118 | 146 Ų | 146 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | trans | -121.9 | 100.2 | 158.4 | -176.2 | 0 | 0 | 0 | 0 | 105.7 | H230 | H230-V232 WeakPolarHBondContact ND1-CG2 3.43Å; H230-V232 PolarHBondContact O-N 3.48Å | ||
| 233 | N | 39.4 | Very low | 36.8 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 60% | 0.599 | 76% | 0.757 | S | S | * | * | trans | -91.1 | 168.1 | 169.6 | -70 | -6 | 0 | 0 | 0 | 109.4 | ||||
| 234 | N | 38.8 | Very low | 36.5 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | 84.5 | 95.8 | 174 | -47.4 | -2.4 | 0 | 0 | 0 | 111.8 | ||||
| 235 | E | 38.7 | Very low | 36.4 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | 72.5 | 101.2 | 85 | -73.9 | -169.7 | 157.3 | 0 | 0 | 111.5 | |||||
| 236 | T | 39 | Very low | 36.6 | Very low | 117 Ų | 117 | 139 Ų | 139 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | 86.3 | 96.4 | 89.4 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 237 | D | 33.8 | Very low | 37 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | trans | -175.6 | 128.2 | 135 | -105.8 | -23.4 | 0 | 0 | 0 | 112.2 | ||||
| 238 | P | 37.2 | Very low | 37.3 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | trans | -116.6 | 117.9 | 168.7 | 35.1 | -23.8 | 0 | 0 | 0 | 112.9 | ||||
| 239 | K | 39.2 | Very low | 37.3 | Very low | 202 Ų | 202 | 134 Ų | 134 | 88% | 0.878 | 75% | 0.747 | S | S | * | * | trans | -170.8 | 147.7 | 163.5 | -89.7 | 130.4 | -175.1 | 179.1 | 0 | 106.8 | ||||
| 240 | S | 36 | Very low | 37.4 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | cis | -153.3 | 148.8 | 1.7 | 50.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 241 | V | 35.6 | Very low | 37.6 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | trans | -35.7 | 140.2 | 157.7 | 170.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 242 | F | 34.4 | Very low | 37.5 | Very low | 203 Ų | 203 | 140 Ų | 140 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | -163.4 | 149.6 | 117.4 | -94.4 | -71.7 | 0 | 0 | 0 | 111.4 | |||||
| 243 | P | 39.3 | Very low | 37.1 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 63% | 0.63 | 76% | 0.756 | S | S | * | * | trans | -124.7 | -162 | -160.7 | 44.8 | -31 | 0 | 0 | 0 | 115 | ||||
| 244 | S | 35.1 | Very low | 36.8 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | 70.9 | 135.7 | 172.8 | 16.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 245 | D | 36.2 | Very low | 36.9 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | cis | -146.5 | -179.6 | 4.2 | -92.5 | -38.8 | 0 | 0 | 0 | 109 | ||||
| 246 | S | 39.6 | Very low | 36.6 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | cis | -152.2 | -162.7 | 26.7 | 68.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 247 | T | 39.9 | Very low | 36.5 | Very low | 126 Ų | 126 | 137 Ų | 137 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -96.2 | 162.7 | -162.5 | -25.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 248 | E | 40.3 | Very low | 36.4 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | 117.8 | 130.9 | 155.5 | -67.2 | -164.5 | -163.7 | 0 | 0 | 114.7 | ||||
| 249 | N | 37.4 | Very low | 36.1 | Very low | 137 Ų | 137 | 140.5 Ų | 140.5 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | cis | -148.4 | 146.8 | -4.8 | -124.2 | -43.8 | 0 | 0 | 0 | 109.7 | ||||
| 250 | I | 33.8 | Very low | 35.6 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | trans | -114 | 134.9 | -174.3 | -66.3 | 172.8 | 0 | 0 | 0 | 110 | Y252 | I250-Y252 HydrophobicContact CG2-CD2 3.53Å; I250-Y252 HydrophobicContact CG2-CE2 4.02Å | ||
| 251 | H | 37.4 | Very low | 35.6 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | trans | -133.2 | 103.7 | 152 | -158.9 | -22.2 | 0 | 0 | 0 | 109.1 | D253 | H251-D253 IonicContact CE1-OD2 2.65Š| ||
| 252 | Y | 31.7 | Very low | 35.5 | Very low | 192 Ų | 192 | 142.7 Ų | 142.7 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | trans | -78.2 | 147.1 | 159.5 | -85.9 | -91.5 | 0 | 0 | 0 | 108.5 | I250 | I250-Y252 HydrophobicContact CG2-CD2 3.53Å; I250-Y252 HydrophobicContact CG2-CE2 4.02Å | ||
| 253 | D | 37.5 | Very low | 35.8 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -148.8 | 141.4 | 134.3 | -108 | -35.5 | 0 | 0 | 0 | 111.4 | H251 | H251-D253 IonicContact CE1-OD2 2.65Š| ||
| 254 | S | 33.1 | Very low | 35.8 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | trans | -151.7 | 135.3 | 176.3 | 177.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 255 | P | 39.7 | Very low | 35.8 | Very low | 112 Ų | 112 | 146.5 Ų | 146.5 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | -147.7 | 142.4 | 109.4 | 33 | -15.8 | 0 | 0 | 0 | 116 | |||||
| 256 | V | 32.7 | Very low | 35.8 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 71% | 0.709 | 79% | 0.79 | S | S | * | * | 24.3 | 117.1 | 128.4 | -172.2 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 257 | S | 37.5 | Very low | 35.9 | Very low | 123 Ų | 123 | 151.7 Ų | 151.7 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -154.2 | 115.2 | 144.1 | -83.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 258 | N | 29.9 | Very low | 36.2 | Very low | 154 Ų | 154 | 152 Ų | 152 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -72.3 | 130.7 | 171.4 | -70.4 | -64.7 | 0 | 0 | 0 | 110.2 | ||||
| 259 | L | 32.8 | Very low | 36.1 | Very low | 180 Ų | 180 | 148.4 Ų | 148.4 | 94% | 0.942 | 79% | 0.79 | S | S | * | * | trans | -143.1 | 146.7 | 149.1 | -95.8 | -178.9 | 0 | 0 | 0 | 111.8 | ||||
| 260 | Y | 28.9 | Very low | 36.2 | Very low | 214 Ų | 214 | 147.7 Ų | 147.7 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -121.9 | 108.8 | -154.6 | -161.9 | -82.7 | 0 | 0 | 0 | 108.9 | ||||
| 261 | I | 34.7 | Very low | 36.6 | Very low | 167 Ų | 167 | 148.5 Ų | 148.5 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -131.7 | 130.2 | 176.5 | -57.4 | -175.9 | 0 | 0 | 0 | 111.1 | ||||
| 262 | S | 34 | Very low | 36.7 | Very low | 88 Ų | 88 | 145.9 Ų | 145.9 | 62% | 0.615 | 80% | 0.797 | S | S | * | * | trans | -79.2 | 149.8 | -168.7 | -66.5 | 0 | 0 | 0 | 0 | 114.3 | N264 | S262-N264 PolarHBondContact O-N 2.98Š| ||
| 263 | P | 40.9 | Very low | 37.3 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | trans | -76.7 | 109.9 | 165 | 31.5 | -31 | 0 | 0 | 0 | 109.8 | ||||
| 264 | N | 38.2 | Very low | 37.3 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -78.8 | 147.2 | 178.9 | -122.6 | -24 | 0 | 0 | 0 | 112.2 | S262 | S262-N264 PolarHBondContact O-N 2.98Š| ||
| 265 | K | 35.1 | Very low | 37.2 | Very low | 185 Ų | 185 | 146.4 Ų | 146.4 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -77.6 | 141.6 | -168.9 | -54.3 | 157.5 | -176 | 164.5 | 0 | 111.7 | ||||
| 266 | M | 37.4 | Very low | 37.1 | Very low | 185 Ų | 185 | 149.3 Ų | 149.3 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -149.3 | 133.5 | 136.6 | -97 | -55.6 | 141.4 | 0 | 0 | 110.5 | ||||
| 267 | K | 40.9 | Very low | 37.2 | Very low | 196 Ų | 196 | 148 Ų | 148 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | trans | -123.3 | 141.3 | 172.8 | -76.7 | -177.8 | 172.4 | -172.9 | 0 | 108.6 | ||||
| 268 | P | 46.3 | Very low | 37.1 | Very low | 131 Ų | 131 | 154 Ų | 154 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 131.2 | 154.7 | -7.8 | 26.3 | 0 | 0 | 0 | 109.9 | ||
| 269 | S | 38.8 | Very low | 37.4 | Very low | 94 Ų | 94 | 152.2 Ų | 152.2 | 66% | 0.657 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 140 | 175.1 | 49.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 270 | P | 39.8 | Very low | 37.7 | Very low | 122 Ų | 122 | 152.2 Ų | 152.2 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 117.8 | 163.3 | 32.9 | -27.2 | 0 | 0 | 0 | 110.4 | ||
| 271 | N | 40.3 | Very low | 38 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 118.6 | 170.7 | -79.7 | -7.7 | 0 | 0 | 0 | 110.1 | ||
| 272 | P | 40.2 | Very low | 38.2 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -100 | 141 | 162.9 | 35.2 | -27.8 | 0 | 0 | 0 | 110.8 | ||
| 273 | M | 44.8 | Very low | 38.2 | Very low | 192 Ų | 192 | 150.5 Ų | 150.5 | 95% | 0.946 | 81% | 0.812 | S | S | * | * | trans | -143.4 | 145.5 | 155.8 | -102.5 | -157.7 | 72.6 | 0 | 0 | 111.9 | ||||
| 274 | L | 37.8 | Very low | 37.9 | Very low | 155 Ų | 155 | 149 Ų | 149 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -100.7 | 151.9 | -171 | -97.1 | 155.4 | 0 | 0 | 0 | 111.6 | ||||
| 275 | C | 29.7 | Very low | 37.7 | Very low | 99 Ų | 99 | 150.5 Ų | 150.5 | 67% | 0.669 | 81% | 0.807 | S | S | * | * | trans | 53.7 | 120.2 | 140.4 | -157.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 276 | M | 37.6 | Very low | 37.7 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | -167.1 | 158.9 | 103.9 | -82 | -118.9 | 80.9 | 0 | 0 | 109.8 | |||||
| 277 | S | 34.5 | Very low | 37.7 | Very low | 91 Ų | 91 | 143.3 Ų | 143.3 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | trans | -105.7 | 152.7 | -166.4 | 34.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 278 | R | 37.2 | Very low | 37.4 | Very low | 248 Ų | 248 | 142.3 Ų | 142.3 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | 176.6 | 145 | 125.7 | -95.2 | 161.9 | -170.6 | -147.1 | 1.2 | 112.7 | |||||
| 279 | S | 35.7 | Very low | 36.8 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -81.4 | 158.4 | 178.9 | -36.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 280 | L | 37.9 | Very low | 36.6 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 94% | 0.937 | 80% | 0.799 | S | S | * | * | trans | -155.5 | 155.2 | 138.3 | -111.5 | 156.2 | 0 | 0 | 0 | 110.8 | ||||
| 281 | D | 36.4 | Very low | 36.3 | Very low | 134 Ų | 134 | 146.7 Ų | 146.7 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | trans | -116.1 | 158.3 | -157.3 | -122.5 | -31.4 | 0 | 0 | 0 | 111.7 | ||||
| 282 | K | 38.2 | Very low | 36 | Very low | 182 Ų | 182 | 148 Ų | 148 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 79.1 | 161.6 | 150.8 | -72.6 | 176.7 | 179 | -176 | 0 | 122.9 | ||||
| 283 | C | 33.5 | Very low | 35.6 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | 75.3 | 116.9 | 175.8 | -64.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 284 | S | 35.4 | Very low | 35 | Very low | 97 Ų | 97 | 145.8 Ų | 145.8 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | cis | 114.1 | 117.4 | 20.2 | 64.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 285 | E | 33.8 | Very low | 35 | Very low | 194 Ų | 194 | 146.9 Ų | 146.9 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | trans | 38.6 | 117.6 | 153 | -61.4 | 179.8 | 128.8 | 0 | 0 | 120.7 | ||||
| 286 | S | 35.4 | Very low | 35.1 | Very low | 116 Ų | 116 | 149.7 Ų | 149.7 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | -172.3 | 117.1 | 114.2 | 62.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 287 | S | 36.5 | Very low | 35.2 | Very low | 102 Ų | 102 | 148.7 Ų | 148.7 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | 18.3 | 129 | 138.4 | -63 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 288 | Q | 36 | Very low | 35.1 | Very low | 175 Ų | 175 | 150.7 Ų | 150.7 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | 84.5 | 119.7 | 125.6 | -68.4 | 176.9 | 31.5 | 0 | 0 | 122.8 | |||||
| 289 | S | 32.6 | Very low | 34.9 | Very low | 102 Ų | 102 | 146.3 Ų | 146.3 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | 57 | 122.4 | 137.5 | 64.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 290 | F | 34.7 | Very low | 34.5 | Very low | 198 Ų | 198 | 150.5 Ų | 150.5 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | -151.9 | 147.1 | 117.3 | -134.3 | -100.5 | 0 | 0 | 0 | 111.2 | |||||
| 291 | I | 33.4 | Very low | 34.5 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | -111.4 | 135.8 | 170.8 | -69.1 | 175.5 | 0 | 0 | 0 | 107.3 | ||||
| 292 | H | 33.7 | Very low | 34.2 | Very low | 181 Ų | 181 | 152.5 Ų | 152.5 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -148.9 | 151.6 | 147.1 | -135.3 | -91.6 | 0 | 0 | 0 | 111.8 | ||||
| 293 | S | 32.2 | Very low | 33.8 | Very low | 70 Ų | 70 | 149.1 Ų | 149.1 | 49% | 0.49 | 79% | 0.788 | S | S | . | * | trans | -117 | 172.9 | -164.2 | -62.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 294 | F | 32.8 | Very low | 33.7 | Very low | 192 Ų | 192 | 148.4 Ų | 148.4 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | trans | 79.3 | 145.2 | 168.7 | -50.8 | -70.7 | 0 | 0 | 0 | 114.3 | ||||
| 295 | Q | 37 | Very low | 33.4 | Very low | 179 Ų | 179 | 151.7 Ų | 151.7 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | cis | -148.1 | 164.4 | 38.3 | -170.7 | 165.7 | -12.8 | 0 | 0 | 114.6 | ||||
| 296 | E | 33.1 | Very low | 33.2 | Very low | 158 Ų | 158 | 149.3 Ų | 149.3 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | -73.2 | 155.5 | -177.4 | -58.8 | 144.4 | 128.7 | 0 | 0 | 114.4 | ||||
| 297 | V | 38.3 | Very low | 33.2 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 92% | 0.915 | 78% | 0.78 | S | S | * | * | -151.5 | 140.5 | 127.4 | -129.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 298 | D | 32.4 | Very low | 32.9 | Very low | 132 Ų | 132 | 151.1 Ų | 151.1 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -78.9 | 155.1 | 178 | -63.2 | -74.7 | 0 | 0 | 0 | 114.3 | ||||
| 299 | N | 34.6 | Very low | 32.7 | Very low | 156 Ų | 156 | 149.7 Ų | 149.7 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | 170.8 | 127 | 118.4 | -91.6 | -55.7 | 0 | 0 | 0 | 112.6 | |||||
| 300 | F | 27.3 | Very low | 32.9 | Very low | 206 Ų | 206 | 153.6 Ų | 153.6 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | -156.1 | 123.5 | 164 | -116.2 | -75.8 | 0 | 0 | 0 | 110.7 | ||||
| 301 | P | 37.1 | Very low | 32.8 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | -97.1 | 155.4 | 171.4 | 34.1 | -30 | 0 | 0 | 0 | 114 | ||||
| 302 | R | 29.4 | Very low | 32.7 | Very low | 237 Ų | 237 | 148.4 Ų | 148.4 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | trans | -52.9 | 169.1 | 160.7 | -64 | 171.3 | -176.6 | -145.3 | -3 | 111.3 | ||||
| 303 | S | 31 | Very low | 32.6 | Very low | 110 Ų | 110 | 145.5 Ų | 145.5 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | cis | -168.2 | 174.8 | 17.1 | 0.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 304 | S | 30.7 | Very low | 32.6 | Very low | 103 Ų | 103 | 149.2 Ų | 149.2 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | cis | -167.2 | 165.2 | -6.8 | 41.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 305 | E | 29.4 | Very low | 32.5 | Very low | 166 Ų | 166 | 147.6 Ų | 147.6 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | 13.5 | 110.5 | 147.9 | -58.5 | 179.3 | -172.2 | 0 | 0 | 120.6 | ||||
| 306 | N | 28.8 | Very low | 32.3 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | 162.4 | 159.2 | 98.2 | -87.1 | -40.8 | 0 | 0 | 0 | 113.2 | |||||
| 307 | P | 35.2 | Very low | 32.3 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | trans | -110.5 | 142 | -171 | 38.3 | -28.5 | 0 | 0 | 0 | 115 | ||||
| 308 | T | 31.4 | Very low | 32.1 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | -150.8 | 139.6 | 159.1 | 32.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 309 | T | 31.3 | Very low | 32.3 | Very low | 146 Ų | 146 | 142.1 Ų | 142.1 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | trans | -138.1 | 121.4 | 169.4 | 35.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 310 | E | 37.3 | Very low | 32.4 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -117.6 | 164.2 | 165.5 | -73.1 | -178.5 | -168.3 | 0 | 0 | 107.3 | ||||
| 311 | T | 32.5 | Very low | 32.9 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 69% | 0.693 | 79% | 0.793 | S | S | * | * | cis | -170.9 | 173.2 | -22.6 | -79.6 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 312 | C | 30.6 | Very low | 32.8 | Very low | 115 Ų | 115 | 140 Ų | 140 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | 74.7 | 141.2 | 172 | -69.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 313 | V | 31.3 | Very low | 33.1 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | cis | 163.8 | 134.6 | -20.7 | 136.6 | 0 | 0 | 0 | 0 | 104 | ||||
| 314 | T | 33.8 | Very low | 33.3 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | trans | -169.9 | 156.2 | 143.2 | 10.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 315 | L | 30.2 | Very low | 33.4 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | -95.6 | 166.5 | -158.8 | -78.9 | 153.2 | 0 | 0 | 0 | 115.4 | ||||
| 316 | T | 32.7 | Very low | 34.1 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | -32.1 | 166.8 | 155.7 | 21.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 317 | D | 33.9 | Very low | 34.3 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | cis | -158.2 | 132.3 | 35.4 | -133.9 | 11.9 | 0 | 0 | 0 | 110.5 | ||||
| 318 | C | 32.8 | Very low | 34.4 | Very low | 95 Ų | 95 | 135 Ų | 135 | 64% | 0.642 | 81% | 0.81 | S | S | * | * | 76 | 135.6 | 94.5 | 99.3 | 0 | 0 | 0 | 0 | 118 | |||||
| 319 | N | 37.7 | Very low | 34.5 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | trans | -175.9 | 111.3 | 155.1 | -110.4 | -56.8 | 0 | 0 | 0 | 108.8 | ||||
| 320 | K | 35.9 | Very low | 34.8 | Very low | 203 Ų | 203 | 139.7 Ų | 139.7 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -147.8 | 99.3 | 176.5 | -148 | 179.8 | -172.9 | -174.4 | 0 | 112.2 | ||||
| 321 | V | 38.9 | Very low | 34.6 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | 24.4 | 115 | 153.7 | -170.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 322 | A | 34.4 | Very low | 35 | Very low | 91 Ų | 91 | 134.2 Ų | 134.2 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -72.5 | 146.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 323 | G | 35.5 | Very low | 35.4 | Very low | 77 Ų | 77 | 136.3 Ų | 136.3 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | -122.6 | 133.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 324 | C | 35.4 | Very low | 35.6 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -99.8 | 115.5 | -167.9 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 325 | E | 32.5 | Very low | 35.9 | Very low | 195 Ų | 195 | 135.3 Ų | 135.3 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | trans | -106 | 137.3 | 156.9 | -68.9 | -179.8 | 151.5 | 0 | 0 | 107.7 | ||||
| 326 | T | 43.1 | Very low | 36.2 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | trans | -118.5 | 104.2 | -178.6 | 54.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 327 | D | 33.9 | Very low | 36.3 | Very low | 163 Ų | 163 | 139 Ų | 139 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -75.8 | 136.6 | 168.8 | -79.1 | -43.3 | 0 | 0 | 0 | 111.5 | ||||
| 328 | G | 37.5 | Very low | 36.2 | Very low | 80 Ų | 80 | 137.7 Ų | 137.7 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -117.4 | 97.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 329 | I | 33.5 | Very low | 36.4 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -81.2 | 123.4 | 176.4 | -61.2 | 168.1 | 0 | 0 | 0 | 109.6 | ||||
| 330 | Y | 36.7 | Very low | 36.2 | Very low | 228 Ų | 228 | 139.6 Ų | 139.6 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | trans | -154.8 | 160.3 | 133.8 | -135.3 | -99 | 0 | 0 | 0 | 113.2 | ||||
| 331 | S | 33.9 | Very low | 36.4 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | trans | -107.2 | 164.2 | -154.8 | -178.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 332 | S | 40.3 | Very low | 36.3 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | trans | 109.6 | 118.9 | 139.8 | -57.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 333 | N | 40.5 | Very low | 36.3 | Very low | 159 Ų | 159 | 134.9 Ų | 134.9 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | 92 | 91.8 | 136.7 | -59.1 | -8.4 | 0 | 0 | 0 | 121.5 | ||||
| 334 | S | 33.6 | Very low | 36.6 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -31.6 | 137.8 | 149.7 | 147 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 335 | V | 40.6 | Very low | 36.3 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | -143.3 | 142.7 | 125 | 175.9 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 336 | K | 36.5 | Very low | 36.6 | Very low | 183 Ų | 183 | 137.1 Ų | 137.1 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -89.3 | 157.1 | 177.3 | -65.7 | 172.8 | 177.2 | 176 | 0 | 112 | ||||
| 337 | I | 35 | Very low | 36 | Very low | 166 Ų | 166 | 135 Ų | 135 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | -164.4 | 134.7 | 123.5 | -95 | 147.9 | 0 | 0 | 0 | 111.4 | |||||
| 338 | T | 32.9 | Very low | 35.8 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 63% | 0.632 | 78% | 0.776 | S | S | * | * | trans | -50.8 | 161.9 | 174.1 | -30.8 | 0 | 0 | 0 | 0 | 112.8 | F340 | T338-F340 HydrophobicContact CG2-CD2 4.46Å; T338-F340 HydrophobicContact CG2-CE2 4.47Å | ||
| 339 | T | 35.9 | Very low | 36 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 69% | 0.693 | 78% | 0.777 | S | S | * | * | 177.5 | 123.6 | 65.8 | -46.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 340 | F | 33.7 | Very low | 36 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 83% | 0.833 | 78% | 0.78 | S | S | * | * | trans | 52.6 | 157.5 | 146.3 | -68.4 | -118.7 | 0 | 0 | 0 | 120.8 | T338 | T338-F340 HydrophobicContact CG2-CD2 4.46Å; T338-F340 HydrophobicContact CG2-CE2 4.47Å | ||
| 341 | S | 39.1 | Very low | 36.1 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | cis | -152.6 | 173.7 | 13.6 | 44.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 342 | P | 36.9 | Very low | 36 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -122 | 174.8 | -165.8 | 42.5 | -31.2 | 0 | 0 | 0 | 117.8 | ||||
| 343 | S | 36 | Very low | 35.9 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | 75.2 | 161.8 | 156.4 | -69.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 344 | P | 41.2 | Very low | 35.7 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | cis | -137.8 | 179 | 22.6 | 43.1 | -24.2 | 0 | 0 | 0 | 118.7 | ||||
| 345 | T | 29.3 | Very low | 35.6 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -78.6 | 157.2 | 170.6 | 42.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 346 | L | 38.6 | Very low | 35.2 | Very low | 182 Ų | 182 | 136 Ų | 136 | 95% | 0.953 | 77% | 0.774 | S | S | * | * | trans | -134.1 | 152.1 | 164.6 | -146.3 | 80 | 0 | 0 | 0 | 112.1 | ||||
| 347 | S | 29.5 | Very low | 35.1 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | -115.5 | 151.9 | -161.8 | 178.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 348 | T | 31.3 | Very low | 35.1 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | 47.6 | 125.7 | 149.1 | 49.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 349 | S | 40.5 | Very low | 34.9 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | -165.3 | 144.9 | 112.3 | 21 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 350 | K | 34.1 | Very low | 35 | Very low | 198 Ų | 198 | 131.7 Ų | 131.7 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -86.1 | 140 | 172.1 | -69.5 | 172.9 | 177.4 | 173.1 | 0 | 109.5 | ||||
| 351 | I | 38.7 | Very low | 34.9 | Very low | 169 Ų | 169 | 127.5 Ų | 127.5 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | -130.7 | 102.5 | 154.1 | -59.2 | -179.1 | 0 | 0 | 0 | 108.1 | ||||
| 352 | T | 31.4 | Very low | 34.7 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | trans | -91.3 | 137.3 | 158.8 | -58.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 353 | H | 38 | Very low | 34.7 | Very low | 162 Ų | 162 | 129.7 Ų | 129.7 | 75% | 0.75 | 79% | 0.786 | S | S | * | * | trans | -174.7 | 123.1 | 145.3 | -100.6 | -56.4 | 0 | 0 | 0 | 112 | ||||
| 354 | I | 37.6 | Very low | 34.7 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | 33.6 | 145.6 | 143.4 | 52.8 | 168.7 | 0 | 0 | 0 | 121.4 | ||||
| 355 | S | 32 | Very low | 34.6 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | cis | -175.7 | 156.2 | -15.9 | -99.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 356 | S | 30.3 | Very low | 35.4 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | 47.1 | 124.4 | 153 | 60 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 357 | T | 34.6 | Very low | 35.7 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | -177.6 | 146.4 | 82.4 | 30.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 358 | S | 35.8 | Very low | 36.1 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | 32.1 | 123.2 | 151.2 | 59.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 359 | S | 29.7 | Very low | 36.4 | Very low | 117 Ų | 117 | 131 Ų | 131 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -60.5 | 155.8 | 147.2 | -39.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 360 | P | 37.4 | Very low | 36.4 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | -148.6 | 179.4 | 91.9 | 38.4 | -20.5 | 0 | 0 | 0 | 116.1 | |||||
| 361 | S | 31.3 | Very low | 36.6 | Very low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -65.3 | 157.1 | -175 | -47.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 362 | P | 34.9 | Very low | 36.2 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | trans | -74.1 | 140.5 | 172.5 | 31.5 | -34.7 | 0 | 0 | 0 | 112 | ||||
| 363 | T | 37 | Very low | 36.4 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | trans | -124.6 | 148.5 | 165.1 | 43.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 364 | N | 36.2 | Very low | 36.1 | Very low | 150 Ų | 150 | 127.9 Ų | 127.9 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -73.2 | 156.2 | -168.5 | -30.4 | -84 | 0 | 0 | 0 | 113 | ||||
| 365 | D | 39.5 | Very low | 36.2 | Very low | 155 Ų | 155 | 127.3 Ų | 127.3 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | -177.1 | 153.3 | 136.6 | -93.3 | -31.9 | 0 | 0 | 0 | 109 | ||||
| 366 | T | 45.5 | Very low | 36.1 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | cis | -158.8 | 154.3 | -21.2 | -118.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 367 | K | 44.4 | Very low | 36.7 | Very low | 195 Ų | 195 | 131.7 Ų | 131.7 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | 2.8 | 132.7 | 166 | -55.7 | 169.9 | 178.9 | 175.4 | 0 | 122 | ||||
| 368 | A | 38.6 | Very low | 36.9 | Very low | 91 Ų | 91 | 132 Ų | 132 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | -179.8 | 128.5 | 109.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 369 | A | 38.2 | Very low | 36.7 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | 47.5 | 125.4 | 82 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 370 | E | 39.5 | Very low | 37.1 | Very low | 180 Ų | 180 | 137.2 Ų | 137.2 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | cis | -164.8 | 172.3 | 24.5 | -152.4 | 168.7 | -165.8 | 0 | 0 | 112.2 | ||||
| 371 | T | 37.8 | Very low | 37.1 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | 77.3 | 120.9 | 156.9 | -50.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 372 | I | 30.7 | Very low | 37.6 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | -89.7 | 141.9 | 172.3 | -62.4 | 162.5 | 0 | 0 | 0 | 109.7 | ||||
| 373 | P | 36.6 | Very low | 38.1 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -129.9 | 135.3 | 137.6 | 35 | -25.3 | 0 | 0 | 0 | 113.5 | I375 | P373-I375 PolarHBondContact O-N 3.34Š| ||
| 374 | T | 30.1 | Very low | 38.4 | Very low | 129 Ų | 129 | 142 Ų | 142 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -55.9 | 121.5 | 169.8 | -55 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 375 | I | 39.3 | Very low | 38.9 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | -151.3 | 133.9 | 156.4 | -92.4 | 128 | 0 | 0 | 0 | 109.5 | P373 Q377 | P373-I375 PolarHBondContact O-N 3.34Å; I375-Q377 HydrophobicContact CG2-CG 4.26Å; I375-Q377 PolarHBondContact O-N 3.21Å | ||
| 376 | S | 31.7 | Very low | 39.2 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -69.5 | 119.5 | -179.6 | -48.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 377 | Q | 43.1 | Very low | 39.1 | Very low | 175 Ų | 175 | 143 Ų | 143 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -138.5 | 147.4 | 167 | -68.9 | -166.5 | 4.4 | 0 | 0 | 112.6 | I375 | I375-Q377 HydrophobicContact CG2-CG 4.26Å; I375-Q377 PolarHBondContact O-N 3.21Å | ||
| 378 | T | 36.9 | Very low | 39 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -71.4 | 140.3 | -171.9 | 36.9 | 0 | 0 | 0 | 0 | 113.3 | K380 | T378-K380 PolarHBondContact O-N 3.42Å; T378-K380 VanDerWaalsContact O-N 3.15Å | ||
| 379 | L | 32.4 | Very low | 39.5 | Very low | 142 Ų | 142 | 141.3 Ų | 141.3 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -69.4 | 107.5 | 178.8 | -68 | 174.4 | 0 | 0 | 0 | 111.5 | Y381 | L379-Y381 HydrophobicContact CB-CD2 4.34Å; L379-Y381 HydrophobicContact CB-CE2 4.01Å; L379-Y381 PolarHBondContact O-N 3.21Å | ||
| 380 | K | 37.2 | Very low | 40.3 | Very low | 188 Ų | 188 | 142.6 Ų | 142.6 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | trans | -79.2 | 105.5 | 165.2 | -72.4 | -174.8 | 177 | -179.8 | 0 | 110 | T378 S382 | T378-K380 PolarHBondContact O-N 3.42Å; T378-K380 VanDerWaalsContact O-N 3.15Å; K380-S382 PolarHBondContact O-N 3.01Å | ||
| 381 | Y | 38.8 | Very low | 40.6 | Very low | 186 Ų | 186 | 137.4 Ų | 137.4 | 73% | 0.729 | 74% | 0.744 | S | S | * | * | trans | -76.8 | 81.7 | 175.1 | -74.9 | -94.4 | 0 | 0 | 0 | 111.7 | L379 L384 | L379-Y381 HydrophobicContact CB-CD2 4.34Å; L379-Y381 HydrophobicContact CB-CE2 4.01Å; L379-Y381 PolarHBondContact O-N 3.21Å; Y381-L384 HydrophobicContact CD1-CD1 4.23Å | ||
| 382 | S | 40.5 | Very low | 40.9 | Very low | 90 Ų | 90 | 134 Ų | 134 | 63% | 0.629 | 73% | 0.732 | S | S | * | * | trans | -112.4 | 0.8 | -179.1 | 56.2 | 0 | 0 | 0 | 0 | 115.9 | K380 | K380-S382 PolarHBondContact O-N 3.01Š| ||
| 383 | H | 46.6 | Very low | 41.8 | Very low | 176 Ų | 176 | 136.3 Ų | 136.3 | 82% | 0.815 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -109.4 | 7.4 | -171.7 | -89.5 | -81.6 | 0 | 0 | 0 | 116.7 | ||
| 384 | L | 43.6 | Very low | 42.4 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | trans | -92.4 | 7.6 | -178.5 | -72.3 | 167 | 0 | 0 | 0 | 114.8 | Y381 S386 | Y381-L384 HydrophobicContact CD1-CD1 4.23Å; L384-S386 VanDerWaalsContact C-N 3.31Å; L384-S386 PolarHBondContact O-N 3.37Å; L384-S386 VanDerWaalsContact O-N 3.16Å | ||
| 385 | S | 46.6 | Very low | 43.1 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -1.9 | -165.2 | -169.6 | 0 | 0 | 0 | 0 | 116.9 | ||
| 386 | S | 45.1 | Very low | 43.1 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | 22.2 | -166.9 | 53.3 | 0 | 0 | 0 | 0 | 115.5 | L384 A388 | L384-S386 VanDerWaalsContact C-N 3.31Å; L384-S386 PolarHBondContact O-N 3.37Å; L384-S386 VanDerWaalsContact O-N 3.16Å; S386-A388 PolarHBondContact O-N 3.31Å |
| 387 | R | 43.4 | Very low | 43.6 | Very low | 205 Ų | 205 | 139 Ų | 139 | 77% | 0.774 | 72% | 0.717 | S | S | * | * | trans | -82.5 | 102.7 | 175.4 | -159 | 172.4 | -163.3 | 164.8 | 4.3 | 111.3 | Y389 | R387-Y389 WeakPolarHBondContact O-CD2 3.36Å; R387-Y389 PolarHBondContact O-N 3.36Å | ||
| 388 | A | 43.2 | Very low | 43.7 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 83% | 0.826 | 69% | 0.694 | S | S | * | * | trans | -65.2 | 121.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | S386 | S386-A388 PolarHBondContact O-N 3.31Š| ||
| 389 | Y | 47.6 | Very low | 44 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 59% | 0.592 | 69% | 0.694 | S | S | * | * | trans | -89.6 | 154.3 | 173.7 | -84.7 | -95 | 0 | 0 | 0 | 110.9 | R387 F391 | R387-Y389 WeakPolarHBondContact O-CD2 3.36Å; R387-Y389 PolarHBondContact O-N 3.36Å; Y389-F391 PolarHBondContact O-N 3.38Å | ||
| 390 | P | 55.3 | Low | 44.6 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 79% | 0.786 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -80.5 | 6.5 | -171.9 | 34.1 | -38 | 0 | 0 | 0 | 114.4 | ||
| 391 | F | 46.8 | Very low | 45 | Very low | 71 Ų | 71 | 133.2 Ų | 133.2 | 31% | 0.311 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -86.8 | 142.7 | 168.1 | -53.1 | -84 | 0 | 0 | 0 | 107.5 | Y389 C395 K457 I459 | Y389-F391 PolarHBondContact O-N 3.38Å; F391-C395 HydrophobicContact CB-CB 3.49Å; F391-C395 VanDerWaalsContact CB-CB 3.49Å; F391-K457 HydrophobicContact CE1-CD 4.2Å; F391-I459 HydrophobicContact CZ-CD1 4.39Å |
| 392 | G | 42.5 | Very low | 45.7 | Very low | 49 Ų | 49 | 126.8 Ų | 126.8 | 51% | 0.505 | 66% | 0.662 | S | S | . | * | trans | -54.8 | 168.2 | -170 | 0 | 0 | 0 | 0 | 0 | 114.1 | D394 C395 | G392-D394 PolarHBondContact O-N 3.13Å; G392-C395 PolarHBondContact O-N 3.01Å | ||
| 393 | K | 50.3 | Low | 46.2 | Very low | 205 Ų | 205 | 126.3 Ų | 126.3 | 89% | 0.891 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | -20.2 | -173.7 | -68.2 | 178.4 | 179.4 | 175.6 | 0 | 114.4 | ||
| 394 | D | 48.9 | Very low | 46.5 | Very low | 159 Ų | 159 | 121 Ų | 121 | 85% | 0.85 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -24.3 | 179.2 | -40.7 | -51.1 | 0 | 0 | 0 | 112.6 | G392 R396 | G392-D394 PolarHBondContact O-N 3.13Å; D394-R396 PolarHBondContact O-N 2.84Å |
| 395 | C | 44.7 | Very low | 47 | Very low | 72 Ų | 72 | 116.7 Ų | 116.7 | 49% | 0.486 | 62% | 0.623 | S | S | . | * | trans | -84.4 | 52.9 | 171.3 | -64.6 | 0 | 0 | 0 | 0 | 111.3 | F391 G392 F397 | F391-C395 HydrophobicContact CB-CB 3.49Å; F391-C395 VanDerWaalsContact CB-CB 3.49Å; G392-C395 PolarHBondContact O-N 3.01Å; C395-F397 VanDerWaalsContact C-N 3.3Å; C395-F397 PolarHBondContact O-N 3.17Å | ||
| 396 | R | 40.1 | Very low | 47.6 | Very low | 173 Ų | 173 | 116.2 Ų | 116.2 | 65% | 0.653 | 61% | 0.611 | S | S | * | * | trans | -70.4 | 89.2 | 174.2 | -153.6 | -171.3 | 175.4 | 155.8 | -1.9 | 108.4 | D394 V398 | D394-R396 PolarHBondContact O-N 2.84Å; R396-V398 HydrophobicContact CB-CG2 4.09Å; R396-V398 HydrophobicContact CG-CB 4.43Å; R396-V398 HydrophobicContact CG-CG1 4.08Å; R396-V398 HydrophobicContact CG-CG2 3.69Å; R396-V398 WeakPolarHBondContact O-CG2 3.32Å; R396-V398 PolarHBondContact O-N 3.44Å | ||
| 397 | F | 42.6 | Very low | 48.2 | Very low | 148 Ų | 148 | 117 Ų | 117 | 65% | 0.649 | 60% | 0.602 | S | S | * | * | trans | -69.8 | 54.7 | 163.8 | -102.9 | -80.2 | 0 | 0 | 0 | 110.4 | C395 F444 | C395-F397 VanDerWaalsContact C-N 3.3Å; C395-F397 PolarHBondContact O-N 3.17Å; F397-F444 HydrophobicContact CE1-CE1 4.48Å; F397-F444 HydrophobicContact CZ-CE1 4.32Å | ||
| 398 | V | 44.2 | Very low | 49 | Very low | 55 Ų | 55 | 109.9 Ų | 109.9 | 33% | 0.333 | 58% | 0.578 | S | S | . | * | trans | -73.2 | 120.5 | 154.4 | -88.1 | 0 | 0 | 0 | 0 | 105.6 | R396 Y400 | R396-V398 HydrophobicContact CB-CG2 4.09Å; R396-V398 HydrophobicContact CG-CB 4.43Å; R396-V398 HydrophobicContact CG-CG1 4.08Å; R396-V398 HydrophobicContact CG-CG2 3.69Å; R396-V398 WeakPolarHBondContact O-CG2 3.32Å; R396-V398 PolarHBondContact O-N 3.44Å; V398-Y400 HydrophobicContact CB-CD2 4.03Å; V398-Y400 HydrophobicContact CB-CE2 4.18Å; V398-Y400 HydrophobicContact CB-CG 4.21Å; V398-Y400 HydrophobicContact CG2-CD2 3.29Å; V398-Y400 HydrophobicContact CG2-CE2 3.29Å; V398-Y400 HydrophobicContact CG2-CG 3.98Å; V398-Y400 PolarHBondContact O-N 2.99Å | ||
| 399 | F | 43.6 | Very low | 50 | Low | 185 Ų | 185 | 110 Ų | 110 | 81% | 0.811 | 56% | 0.564 | S | S | * | * | trans | -61.7 | 74.5 | 140.2 | -62.7 | -90.1 | 0 | 0 | 0 | 106.7 | N401 | F399-N401 VanDerWaalsContact C-N 3.3Å; F399-N401 PolarHBondContact O-N 3.42Å | ||
| 400 | Y | 44.3 | Very low | 50.8 | Low | 154 Ų | 154 | 105.5 Ų | 105.5 | 60% | 0.604 | 56% | 0.559 | S | S | * | * | trans | -59.2 | 114.8 | 138.8 | -72.3 | -53.2 | 0 | 0 | 0 | 102.8 | V398 S402 | V398-Y400 HydrophobicContact CB-CD2 4.03Å; V398-Y400 HydrophobicContact CB-CE2 4.18Å; V398-Y400 HydrophobicContact CB-CG 4.21Å; V398-Y400 HydrophobicContact CG2-CD2 3.29Å; V398-Y400 HydrophobicContact CG2-CE2 3.29Å; V398-Y400 HydrophobicContact CG2-CG 3.98Å; V398-Y400 PolarHBondContact O-N 2.99Å; Y400-S402 PolarHBondContact O-N 2.71Å | ||
| 401 | N | 46.2 | Very low | 51.3 | Low | 124 Ų | 124 | 103.5 Ų | 103.5 | 66% | 0.663 | 54% | 0.536 | S | S | * | . | trans | -53.5 | 96.4 | 144.9 | -63.7 | -2.2 | 0 | 0 | 0 | 103.1 | F399 A403 | F399-N401 VanDerWaalsContact C-N 3.3Å; F399-N401 PolarHBondContact O-N 3.42Å; N401-A403 PolarHBondContact O-N 3.45Å | ||
| 402 | S | 52.6 | Low | 52.2 | Low | 51 Ų | 51 | 106.1 Ų | 106.1 | 36% | 0.357 | 55% | 0.553 | S | S | . | * | trans | -54.9 | 141.2 | 171.3 | -161.5 | 0 | 0 | 0 | 0 | 104.6 | Y400 D404 S405 | Y400-S402 PolarHBondContact O-N 2.71Å; S402-D404 PolarHBondContact O-N 3.26Å; S402-D404 PolarHBondContact OG-OD2 3.36Å; S402-S405 WeakPolarHBondContact O-CB 3.45Å; S402-S405 PolarHBondContact O-N 2.88Å | ||
| 403 | A | 51.6 | Low | 53.3 | Low | 80 Ų | 80 | 111 Ų | 111 | 66% | 0.661 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -14.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N401 S405 | N401-A403 PolarHBondContact O-N 3.45Å; A403-S405 VanDerWaalsContact C-N 3.33Å; A403-S405 PolarHBondContact O-N 2.95Å |
| 404 | D | 53.3 | Low | 54.1 | Low | 64 Ų | 64 | 105.5 Ų | 105.5 | 34% | 0.342 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.3 | -22.3 | 167.8 | -51.7 | -75.2 | 0 | 0 | 0 | 115.6 | S402 E407 E408 K436 | S402-D404 PolarHBondContact O-N 3.26Å; S402-D404 PolarHBondContact OG-OD2 3.36Å; D404-E407 PolarHBondContact O-N 3.4Å; D404-E408 PolarHBondContact O-N 3.02Å; D404-K436 IonicContact OD1-NZ 3.95Å; D404-K436 PolarHBondContact OD1-NZ 3.03Å |
| 405 | S | 55.1 | Low | 55.2 | Low | 54 Ų | 54 | 101.7 Ų | 101.7 | 38% | 0.378 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.2 | -38.8 | -180 | -165.2 | 0 | 0 | 0 | 0 | 111.5 | S402 A403 E407 E408 D409 | S402-S405 WeakPolarHBondContact O-CB 3.45Å; S402-S405 PolarHBondContact O-N 2.88Å; A403-S405 VanDerWaalsContact C-N 3.33Å; A403-S405 PolarHBondContact O-N 2.95Å; S405-E407 PolarHBondContact O-N 3.06Å; S405-E408 PolarHBondContact O-N 2.88Å; S405-D409 PolarHBondContact O-N 2.98Å |
| 406 | D | 57.6 | Low | 56.4 | Low | 107 Ų | 107 | 104.1 Ų | 104.1 | 57% | 0.572 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.2 | -21.8 | 178.1 | -57.1 | -34.2 | 0 | 0 | 0 | 111.2 | A410 | D406-A410 VanDerWaalsContact O-CB 3.24Å; D406-A410 WeakPolarHBondContact O-CB 3.47Å; D406-A410 PolarHBondContact O-N 3.23Å; D406-A410 VanDerWaalsContact O-N 3.17Å |
| 407 | E | 58.5 | Low | 57.8 | Low | 128 Ų | 128 | 97.6 Ų | 97.6 | 60% | 0.598 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -79.9 | -35.5 | 176.5 | -64.2 | -106.2 | 140.3 | 0 | 0 | 113 | D404 S405 A410 Y411 | D404-E407 PolarHBondContact O-N 3.4Å; S405-E407 PolarHBondContact O-N 3.06Å; E407-A410 PolarHBondContact O-N 2.92Å; E407-Y411 PolarHBondContact O-N 3.27Å; E407-Y411 VanDerWaalsContact O-N 3.07Å |
| 408 | E | 60 | Low | 59.3 | Low | 56 Ų | 56 | 99.4 Ų | 99.4 | 26% | 0.262 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.2 | -42.5 | 174.6 | -72 | -155.2 | 163.8 | 0 | 0 | 110.9 | D404 S405 Y411 N412 M433 R437 | D404-E408 PolarHBondContact O-N 3.02Å; S405-E408 PolarHBondContact O-N 2.88Å; E408-Y411 PolarHBondContact O-N 2.99Å; E408-N412 PolarHBondContact O-N 3.31Å; E408-N412 PolarHBondContact O-ND2 3.4Å; E408-M433 HydrophobicContact CB-SD 4.44Å; E408-M433 HydrophobicContact CG-CG 3.84Å; E408-M433 HydrophobicContact CG-SD 3.91Å; E408-R437 IonicContact OE1-CZ 3.71Å; E408-R437 IonicContact OE1-NH1 3.94Å; E408-R437 PolarHBondContact OE1-NH1 2.96Å; E408-R437 IonicContact OE2-CZ 3.55Å; E408-R437 IonicContact OE2-NH1 2.66Å; E408-R437 PolarHBondContact OE2-NH1 3.18Å |
| 409 | D | 63.4 | Low | 61.2 | Low | 102 Ų | 102 | 100.9 Ų | 100.9 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.9 | -38.6 | 176.8 | -74.2 | -27.7 | 0 | 0 | 0 | 111.7 | S405 Y411 N412 L413 | S405-D409 PolarHBondContact O-N 2.98Å; D409-Y411 VanDerWaalsContact C-N 3.33Å; D409-Y411 PolarHBondContact O-N 3.38Å; D409-N412 PolarHBondContact O-N 3.35Å; D409-L413 PolarHBondContact O-N 2.89Å |
| 410 | A | 64.8 | Low | 63.3 | Low | 57 Ų | 57 | 98.1 Ų | 98.1 | 47% | 0.471 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.5 | -33.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D406 E407 L413 S414 | D406-A410 VanDerWaalsContact O-CB 3.24Å; D406-A410 WeakPolarHBondContact O-CB 3.47Å; D406-A410 PolarHBondContact O-N 3.23Å; D406-A410 VanDerWaalsContact O-N 3.17Å; E407-A410 PolarHBondContact O-N 2.92Å; A410-L413 PolarHBondContact O-N 3.2Å; A410-S414 PolarHBondContact O-N 3.48Å |
| 411 | Y | 65.6 | Low | 65.4 | Low | 80 Ų | 80 | 95.8 Ų | 95.8 | 31% | 0.314 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.3 | -42 | 175.2 | -177 | -92.7 | 0 | 0 | 0 | 111.8 | E407 E408 D409 L413 S414 H430 M433 | E407-Y411 PolarHBondContact O-N 3.27Å; E407-Y411 VanDerWaalsContact O-N 3.07Å; E408-Y411 PolarHBondContact O-N 2.99Å; D409-Y411 VanDerWaalsContact C-N 3.33Å; D409-Y411 PolarHBondContact O-N 3.38Å; Y411-L413 VanDerWaalsContact C-N 3.27Å; Y411-L413 PolarHBondContact O-N 2.91Å; Y411-S414 WeakPolarHBondContact O-CB 3.5Å; Y411-S414 PolarHBondContact O-N 3Å; Y411-H430 AromaticContact CE1-CD2 3.53Å; Y411-H430 HydrophobicContact CE2-CB 3.93Å; Y411-H430 AromaticContact CZ-CD2 3.6Å; Y411-H430 AromaticContact CZ-CG 3.96Å; Y411-H430 WeakPolarHBondContact OH-CB 3.36Å; Y411-M433 HydrophobicContact CG-SD 4.46Å |
| 412 | N | 65.8 | Low | 67.1 | Low | 126 Ų | 126 | 92.4 Ų | 92.4 | 67% | 0.674 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -71 | -18.9 | -179.6 | -71.5 | -72.6 | 0 | 0 | 0 | 113.9 | E408 D409 | E408-N412 PolarHBondContact O-N 3.31Å; E408-N412 PolarHBondContact O-ND2 3.4Å; D409-N412 PolarHBondContact O-N 3.35Å |
| 413 | L | 67.3 | Low | 68.7 | Low | 150 Ų | 150 | 94.3 Ų | 94.3 | 79% | 0.785 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -1.1 | 177.7 | -70.6 | 164.5 | 0 | 0 | 0 | 113.6 | D409 A410 Y411 | D409-L413 PolarHBondContact O-N 2.89Å; A410-L413 PolarHBondContact O-N 3.2Å; Y411-L413 VanDerWaalsContact C-N 3.27Å; Y411-L413 PolarHBondContact O-N 2.91Å |
| 414 | S | 67 | Low | 70.4 | Confident | 90 Ų | 90 | 95.6 Ų | 95.6 | 63% | 0.629 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -76.2 | 135.5 | -174.7 | -167.8 | 0 | 0 | 0 | 0 | 112.8 | A410 Y411 | A410-S414 PolarHBondContact O-N 3.48Å; Y411-S414 WeakPolarHBondContact O-CB 3.5Å; Y411-S414 PolarHBondContact O-N 3Å |
| 415 | A | 71 | Confident | 72.1 | Confident | 79 Ų | 79 | 99.7 Ų | 99.7 | 65% | 0.653 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 145.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | S417 | A415-S417 PolarHBondContact O-N 3.01Å; A415-S417 VanDerWaalsContact O-N 3.14Å |
| 416 | P | 69.6 | Low | 73.5 | Confident | 123 Ų | 123 | 98.6 Ų | 98.6 | 80% | 0.799 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 119.5 | -179.4 | -24.7 | 34 | 0 | 0 | 0 | 112.4 | Q418 | P416-Q418 PolarHBondContact O-N 3.46Š|
| 417 | S | 70 | Confident | 74.9 | Confident | 37 Ų | 37 | 103.3 Ų | 103.3 | 26% | 0.259 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -77.3 | 123.4 | -176 | 66 | 0 | 0 | 0 | 0 | 112 | A415 L423 | A415-S417 PolarHBondContact O-N 3.01Å; A415-S417 VanDerWaalsContact O-N 3.14Å; S417-L423 WeakPolarHBondContact O-CD2 3.37Å; S417-L423 WeakPolarHBondContact O-CG 3.38Å; S417-L423 VanDerWaalsContact OG-CD2 3.32Å; S417-L423 WeakPolarHBondContact OG-CD2 3.48Å; S417-L423 WeakPolarHBondContact OG-CG 3.41Å; S417-L423 PolarHBondContact OG-N 3.47Å |
| 418 | Q | 74.2 | Confident | 76.4 | Confident | 185 Ų | 185 | 101.3 Ų | 101.3 | 86% | 0.864 | 55% | 0.551 | S | S | * | * | trans | -89.3 | -26.8 | -174.6 | -59.8 | 179.8 | 11.9 | 0 | 0 | 113.8 | P416 | P416-Q418 PolarHBondContact O-N 3.46Š| ||
| 419 | T | 84.5 | Confident | 77.7 | Confident | 86 Ų | 86 | 101.6 Ų | 101.6 | 53% | 0.528 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -84 | 137.8 | -179.2 | -42.1 | 0 | 0 | 0 | 0 | 111.2 | T421 S422 L423 | T419-T421 VanDerWaalsContact C-N 3.28Å; T419-T421 PolarHBondContact O-N 3.18Å; T419-S422 WeakPolarHBondContact O-CA 3.47Å; T419-S422 WeakPolarHBondContact O-CB 3.27Å; T419-S422 PolarHBondContact O-N 3.1Å; T419-L423 PolarHBondContact O-N 2.91Å |
| 420 | L | 86.4 | Confident | 78.7 | Confident | 128 Ų | 128 | 100 Ų | 100 | 67% | 0.67 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -49.8 | -45.2 | 177.1 | 179.3 | 62.7 | 0 | 0 | 0 | 113 | S422 L423 I424 | L420-S422 VanDerWaalsContact C-N 3.29Å; L420-S422 PolarHBondContact O-N 3.2Å; L420-L423 PolarHBondContact O-N 3.04Å; L420-I424 HydrophobicContact CD1-CD1 4.3Å; L420-I424 HydrophobicContact CG-CD1 4.09Å; L420-I424 WeakPolarHBondContact O-CG1 3.36Å; L420-I424 PolarHBondContact O-N 2.88Å |
| 421 | T | 88.2 | Confident | 80 | Confident | 104 Ų | 104 | 103.3 Ų | 103.3 | 64% | 0.638 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -58.5 | -40.3 | 176.9 | -44.1 | 0 | 0 | 0 | 0 | 112.4 | T419 I424 K425 | T419-T421 VanDerWaalsContact C-N 3.28Å; T419-T421 PolarHBondContact O-N 3.18Å; T421-I424 PolarHBondContact O-N 3.27Å; T421-K425 PolarHBondContact O-N 3.47Å |
| 422 | S | 83.9 | Confident | 81.1 | Confident | 53 Ų | 53 | 102.9 Ų | 102.9 | 37% | 0.371 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -73.8 | -34.9 | -179.5 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | T419 L420 K425 A426 | T419-S422 WeakPolarHBondContact O-CA 3.47Å; T419-S422 WeakPolarHBondContact O-CB 3.27Å; T419-S422 PolarHBondContact O-N 3.1Å; L420-S422 VanDerWaalsContact C-N 3.29Å; L420-S422 PolarHBondContact O-N 3.2Å; S422-K425 PolarHBondContact O-N 3.16Å; S422-A426 WeakPolarHBondContact O-CB 3.31Å; S422-A426 PolarHBondContact O-N 3.17Å |
| 423 | L | 84.4 | Confident | 82.2 | Confident | 91 Ų | 91 | 98.5 Ų | 98.5 | 48% | 0.476 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 170.9 | -74.3 | 164.8 | 0 | 0 | 0 | 111.9 | S417 T419 L420 K425 A426 R427 | S417-L423 WeakPolarHBondContact O-CD2 3.37Å; S417-L423 WeakPolarHBondContact O-CG 3.38Å; S417-L423 VanDerWaalsContact OG-CD2 3.32Å; S417-L423 WeakPolarHBondContact OG-CD2 3.48Å; S417-L423 WeakPolarHBondContact OG-CG 3.41Å; S417-L423 PolarHBondContact OG-N 3.47Å; T419-L423 PolarHBondContact O-N 2.91Å; L420-L423 PolarHBondContact O-N 3.04Å; L423-K425 VanDerWaalsContact C-N 3.34Å; L423-A426 PolarHBondContact O-N 2.9Å; L423-R427 WeakPolarHBondContact O-CB 3.42Å; L423-R427 PolarHBondContact O-N 2.92Å |
| 424 | I | 88.9 | Confident | 83.2 | Confident | 107 Ų | 107 | 98.5 Ų | 98.5 | 55% | 0.549 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 174.4 | -67.5 | 164.8 | 0 | 0 | 0 | 110 | L420 T421 R427 Q428 | L420-I424 HydrophobicContact CD1-CD1 4.3Å; L420-I424 HydrophobicContact CG-CD1 4.09Å; L420-I424 WeakPolarHBondContact O-CG1 3.36Å; L420-I424 PolarHBondContact O-N 2.88Å; T421-I424 PolarHBondContact O-N 3.27Å; I424-R427 PolarHBondContact O-N 3.36Å; I424-Q428 WeakPolarHBondContact O-CB 3.42Å; I424-Q428 PolarHBondContact O-N 3.16Å |
| 425 | K | 87.3 | Confident | 84.4 | Confident | 151 Ų | 151 | 97.3 Ų | 97.3 | 66% | 0.657 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.1 | -45.3 | 176.9 | -168.2 | 177.2 | -178.8 | -177.1 | 0 | 112.1 | T421 S422 L423 R427 Q428 T429 | T421-K425 PolarHBondContact O-N 3.47Å; S422-K425 PolarHBondContact O-N 3.16Å; L423-K425 VanDerWaalsContact C-N 3.34Å; K425-R427 VanDerWaalsContact C-N 3.33Å; K425-R427 PolarHBondContact O-N 3.19Å; K425-Q428 PolarHBondContact O-N 3.1Å; K425-Q428 VanDerWaalsContact O-N 3.17Å; K425-T429 HydrophobicContact CG-CG2 4.44Å; K425-T429 WeakPolarHBondContact O-CG2 3.49Å; K425-T429 PolarHBondContact O-N 3.4Å; K425-T429 PolarHBondContact O-OG1 2.86Å; K425-T429 VanDerWaalsContact O-OG1 3.13Å |
| 426 | A | 84.6 | Confident | 85.3 | Confident | 31 Ų | 31 | 98 Ų | 98 | 26% | 0.256 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S422 L423 T429 H430 | S422-A426 WeakPolarHBondContact O-CB 3.31Å; S422-A426 PolarHBondContact O-N 3.17Å; L423-A426 PolarHBondContact O-N 2.9Å; A426-T429 WeakPolarHBondContact CA-OG1 3.48Å; A426-T429 PolarHBondContact O-OG1 2.79Å; A426-H430 VanDerWaalsContact O-CB 3.25Å; A426-H430 WeakPolarHBondContact O-CB 3.32Å; A426-H430 PolarHBondContact O-N 3.49Å |
| 427 | R | 87.4 | Confident | 86.3 | Confident | 206 Ų | 206 | 97.6 Ų | 97.6 | 78% | 0.777 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.5 | -37.5 | 174.7 | -173.1 | 175.5 | -177.3 | 168.5 | 1.6 | 112.3 | L423 I424 K425 K431 | L423-R427 WeakPolarHBondContact O-CB 3.42Å; L423-R427 PolarHBondContact O-N 2.92Å; I424-R427 PolarHBondContact O-N 3.36Å; K425-R427 VanDerWaalsContact C-N 3.33Å; K425-R427 PolarHBondContact O-N 3.19Å; R427-K431 WeakPolarHBondContact O-CB 3.25Å; R427-K431 PolarHBondContact O-N 2.86Å |
| 428 | Q | 89.5 | Confident | 87.4 | Confident | 86 Ų | 86 | 97.9 Ų | 97.9 | 40% | 0.402 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.2 | -47.6 | 177.3 | -174.5 | 57.1 | 40.8 | 0 | 0 | 111.6 | I424 K425 H430 K431 D432 | I424-Q428 WeakPolarHBondContact O-CB 3.42Å; I424-Q428 PolarHBondContact O-N 3.16Å; K425-Q428 PolarHBondContact O-N 3.1Å; K425-Q428 VanDerWaalsContact O-N 3.17Å; Q428-H430 VanDerWaalsContact C-N 3.27Å; Q428-H430 PolarHBondContact O-N 2.8Å; Q428-K431 CarbonylContact O-C 3.58Å; Q428-K431 WeakPolarHBondContact O-CA 3.48Å; Q428-K431 WeakPolarHBondContact O-CB 3.47Å; Q428-K431 PolarHBondContact O-N 3.33Å; Q428-D432 VanDerWaalsContact NE2-CG 3.29Å; Q428-D432 PolarHBondContact NE2-OD1 3.29Å; Q428-D432 PolarHBondContact NE2-OD2 3.26Å; Q428-D432 PolarHBondContact O-N 2.82Å |
| 429 | T | 87.2 | Confident | 88.3 | Confident | 61 Ų | 61 | 93 Ų | 93 | 37% | 0.374 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.9 | -38.2 | 176 | 51.9 | 0 | 0 | 0 | 0 | 112 | K425 A426 D432 M433 | K425-T429 HydrophobicContact CG-CG2 4.44Å; K425-T429 WeakPolarHBondContact O-CG2 3.49Å; K425-T429 PolarHBondContact O-N 3.4Å; K425-T429 PolarHBondContact O-OG1 2.86Å; K425-T429 VanDerWaalsContact O-OG1 3.13Å; A426-T429 WeakPolarHBondContact CA-OG1 3.48Å; A426-T429 PolarHBondContact O-OG1 2.79Å; T429-D432 PolarHBondContact O-N 3.21Å; T429-M433 VanDerWaalsContact O-CB 3.31Å; T429-M433 WeakPolarHBondContact O-CB 3.39Å; T429-M433 PolarHBondContact O-N 3.44Å |
| 430 | H | 85.7 | Confident | 88.4 | Confident | 69 Ų | 69 | 92.9 Ų | 92.9 | 32% | 0.319 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.7 | -50 | 171.3 | -173.7 | -114.1 | 0 | 0 | 0 | 111.1 | Y411 A426 Q428 D432 M433 W434 | Y411-H430 AromaticContact CE1-CD2 3.53Å; Y411-H430 HydrophobicContact CE2-CB 3.93Å; Y411-H430 AromaticContact CZ-CD2 3.6Å; Y411-H430 AromaticContact CZ-CG 3.96Å; Y411-H430 WeakPolarHBondContact OH-CB 3.36Å; A426-H430 VanDerWaalsContact O-CB 3.25Å; A426-H430 WeakPolarHBondContact O-CB 3.32Å; A426-H430 PolarHBondContact O-N 3.49Å; Q428-H430 VanDerWaalsContact C-N 3.27Å; Q428-H430 PolarHBondContact O-N 2.8Å; H430-D432 VanDerWaalsContact C-N 3.3Å; H430-D432 PolarHBondContact O-N 2.79Å; H430-M433 WeakPolarHBondContact O-CB 3.37Å; H430-M433 PolarHBondContact O-N 2.81Å; H430-W434 AromaticContact CD2-CD1 3.82Å; H430-W434 AromaticContact CD2-NE1 3.64Å; H430-W434 AromaticContact CE1-CD1 3.51Å; H430-W434 AromaticContact CE1-NE1 3.1Å; H430-W434 PolarHBondContact CE1-NE1 3.28Å; H430-W434 AromaticContact CG-CD1 3.93Å; H430-W434 AromaticContact ND1-CD1 3.73Å; H430-W434 AromaticContact ND1-NE1 3.8Å; H430-W434 AromaticContact NE2-CD1 3.56Å; H430-W434 AromaticContact NE2-NE1 2.95Å; H430-W434 PolarHBondContact NE2-NE1 3.4Å; H430-W434 PolarHBondContact O-N 2.89Å |
| 431 | K | 90.7 | Very high | 88.7 | Confident | 126 Ų | 126 | 90.8 Ų | 90.8 | 55% | 0.548 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -56.2 | -45 | 176.2 | -175.1 | -173.9 | 175.1 | -170.6 | 0 | 111.7 | R427 Q428 W434 T435 | R427-K431 WeakPolarHBondContact O-CB 3.25Å; R427-K431 PolarHBondContact O-N 2.86Å; Q428-K431 CarbonylContact O-C 3.58Å; Q428-K431 WeakPolarHBondContact O-CA 3.48Å; Q428-K431 WeakPolarHBondContact O-CB 3.47Å; Q428-K431 PolarHBondContact O-N 3.33Å; K431-W434 PolarHBondContact O-N 3.19Å; K431-T435 PolarHBondContact O-N 2.74Å; K431-T435 PolarHBondContact O-OG1 3.22Å |
| 432 | D | 89.9 | Confident | 89 | Confident | 71 Ų | 71 | 90.1 Ų | 90.1 | 38% | 0.38 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | -179.8 | -62.4 | -29.9 | 0 | 0 | 0 | 111.8 | Q428 T429 H430 T435 K436 | Q428-D432 VanDerWaalsContact NE2-CG 3.29Å; Q428-D432 PolarHBondContact NE2-OD1 3.29Å; Q428-D432 PolarHBondContact NE2-OD2 3.26Å; Q428-D432 PolarHBondContact O-N 2.82Å; T429-D432 PolarHBondContact O-N 3.21Å; H430-D432 VanDerWaalsContact C-N 3.3Å; H430-D432 PolarHBondContact O-N 2.79Å; D432-T435 PolarHBondContact O-N 3.38Å; D432-K436 WeakPolarHBondContact O-CG 3.41Å; D432-K436 PolarHBondContact O-N 3.47Å |
| 433 | M | 87.8 | Confident | 89.4 | Confident | 35 Ų | 35 | 95 Ų | 95 | 17% | 0.172 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -59.1 | -48.5 | 171.2 | 179.3 | -163.8 | 77.5 | 0 | 0 | 111.3 | E408 Y411 T429 H430 T435 K436 R437 | E408-M433 HydrophobicContact CB-SD 4.44Å; E408-M433 HydrophobicContact CG-CG 3.84Å; E408-M433 HydrophobicContact CG-SD 3.91Å; Y411-M433 HydrophobicContact CG-SD 4.46Å; T429-M433 VanDerWaalsContact O-CB 3.31Å; T429-M433 WeakPolarHBondContact O-CB 3.39Å; T429-M433 PolarHBondContact O-N 3.44Å; H430-M433 WeakPolarHBondContact O-CB 3.37Å; H430-M433 PolarHBondContact O-N 2.81Å; M433-T435 VanDerWaalsContact C-N 3.29Å; M433-T435 PolarHBondContact O-N 2.83Å; M433-K436 PolarHBondContact O-N 3.1Å; M433-R437 WeakPolarHBondContact O-CB 3.34Å; M433-R437 PolarHBondContact O-N 2.92Å |
| 434 | W | 89.8 | Confident | 89.7 | Confident | 149 Ų | 149 | 96.1 Ų | 96.1 | 56% | 0.564 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61 | -37.1 | 175.2 | -82.6 | 91.5 | 0 | 0 | 0 | 112.4 | H430 K431 A438 | H430-W434 AromaticContact CD2-CD1 3.82Å; H430-W434 AromaticContact CD2-NE1 3.64Å; H430-W434 AromaticContact CE1-CD1 3.51Å; H430-W434 AromaticContact CE1-NE1 3.1Å; H430-W434 PolarHBondContact CE1-NE1 3.28Å; H430-W434 AromaticContact CG-CD1 3.93Å; H430-W434 AromaticContact ND1-CD1 3.73Å; H430-W434 AromaticContact ND1-NE1 3.8Å; H430-W434 AromaticContact NE2-CD1 3.56Å; H430-W434 AromaticContact NE2-NE1 2.95Å; H430-W434 PolarHBondContact NE2-NE1 3.4Å; H430-W434 PolarHBondContact O-N 2.89Å; K431-W434 PolarHBondContact O-N 3.19Å; W434-A438 WeakPolarHBondContact O-CB 3.21Å; W434-A438 PolarHBondContact O-N 3.31Å |
| 435 | T | 91.6 | Very high | 89.9 | Confident | 66 Ų | 66 | 95.8 Ų | 95.8 | 41% | 0.405 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.2 | -49.3 | 174.4 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | K431 D432 M433 R437 A438 D439 | K431-T435 PolarHBondContact O-N 2.74Å; K431-T435 PolarHBondContact O-OG1 3.22Å; D432-T435 PolarHBondContact O-N 3.38Å; M433-T435 VanDerWaalsContact C-N 3.29Å; M433-T435 PolarHBondContact O-N 2.83Å; T435-R437 VanDerWaalsContact C-N 3.26Å; T435-R437 PolarHBondContact O-N 3.22Å; T435-A438 WeakPolarHBondContact O-CB 3.36Å; T435-A438 PolarHBondContact O-N 3.14Å; T435-A438 VanDerWaalsContact O-N 3.1Å; T435-D439 PolarHBondContact O-N 3.03Å |
| 436 | K | 90.4 | Very high | 90.2 | Very high | 94 Ų | 94 | 92.9 Ų | 92.9 | 41% | 0.409 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -53.4 | -43.9 | 173.2 | -76.5 | -177.6 | 172.3 | -162.8 | 0 | 111.9 | D404 D432 M433 D439 H440 | D404-K436 IonicContact OD1-NZ 3.95Å; D404-K436 PolarHBondContact OD1-NZ 3.03Å; D432-K436 WeakPolarHBondContact O-CG 3.41Å; D432-K436 PolarHBondContact O-N 3.47Å; M433-K436 PolarHBondContact O-N 3.1Å; K436-D439 PolarHBondContact O-N 2.98Å; K436-H440 VanDerWaalsContact O-CB 3.28Å; K436-H440 WeakPolarHBondContact O-CB 3.28Å; K436-H440 PolarHBondContact O-N 2.88Å |
| 437 | R | 89.3 | Confident | 90.5 | Very high | 113 Ų | 113 | 96.6 Ų | 96.6 | 43% | 0.426 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 178.4 | -170.4 | -177.6 | -172.7 | 88.8 | -1.5 | 111.8 | E408 M433 T435 H440 I441 | E408-R437 IonicContact OE1-CZ 3.71Å; E408-R437 IonicContact OE1-NH1 3.94Å; E408-R437 PolarHBondContact OE1-NH1 2.96Å; E408-R437 IonicContact OE2-CZ 3.55Å; E408-R437 IonicContact OE2-NH1 2.66Å; E408-R437 PolarHBondContact OE2-NH1 3.18Å; M433-R437 WeakPolarHBondContact O-CB 3.34Å; M433-R437 PolarHBondContact O-N 2.92Å; T435-R437 VanDerWaalsContact C-N 3.26Å; T435-R437 PolarHBondContact O-N 3.22Å; R437-H440 PolarHBondContact O-N 2.85Å; R437-I441 HydrophobicContact CG-CD1 4.31Å; R437-I441 WeakPolarHBondContact O-CG1 3.43Å; R437-I441 PolarHBondContact O-N 3.27Å |
| 438 | A | 94 | Very high | 90.8 | Very high | 43 Ų | 43 | 95.5 Ų | 95.5 | 36% | 0.355 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | W434 T435 H440 I441 N442 | W434-A438 WeakPolarHBondContact O-CB 3.21Å; W434-A438 PolarHBondContact O-N 3.31Å; T435-A438 WeakPolarHBondContact O-CB 3.36Å; T435-A438 PolarHBondContact O-N 3.14Å; T435-A438 VanDerWaalsContact O-N 3.1Å; A438-H440 VanDerWaalsContact C-N 3.32Å; A438-H440 PolarHBondContact O-N 2.83Å; A438-I441 PolarHBondContact O-N 3.09Å; A438-N442 WeakPolarHBondContact O-CB 3.45Å; A438-N442 PolarHBondContact O-N 3.43Å; A438-N442 PolarHBondContact O-ND2 3.27Å |
| 439 | D | 91.9 | Very high | 91.1 | Very high | 84 Ų | 84 | 93.8 Ų | 93.8 | 45% | 0.449 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.9 | -34 | 178.3 | -67.3 | -24.2 | 0 | 0 | 0 | 112.7 | T435 K436 R443 | T435-D439 PolarHBondContact O-N 3.03Å; K436-D439 PolarHBondContact O-N 2.98Å; D439-R443 WeakPolarHBondContact O-CG 3.46Å; D439-R443 PolarHBondContact O-N 3.35Å; D439-R443 PolarHBondContact O-NE 2.96Å |
| 440 | H | 88 | Confident | 91.3 | Very high | 83 Ų | 83 | 93.9 Ų | 93.9 | 38% | 0.384 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64 | -49.2 | 171.6 | -175.4 | -116.6 | 0 | 0 | 0 | 111.6 | K436 R437 A438 N442 R443 F444 | K436-H440 VanDerWaalsContact O-CB 3.28Å; K436-H440 WeakPolarHBondContact O-CB 3.28Å; K436-H440 PolarHBondContact O-N 2.88Å; R437-H440 PolarHBondContact O-N 2.85Å; A438-H440 VanDerWaalsContact C-N 3.32Å; A438-H440 PolarHBondContact O-N 2.83Å; H440-N442 PolarHBondContact O-N 3.2Å; H440-R443 PolarHBondContact O-N 3.19Å; H440-F444 AromaticContact CD2-CE2 3.99Å; H440-F444 AromaticContact CE1-CE2 3.67Å; H440-F444 AromaticContact NE2-CE2 3.54Å; H440-F444 VanDerWaalsContact O-CD2 3.3Å; H440-F444 WeakPolarHBondContact O-CD2 3.36Å; H440-F444 PolarHBondContact O-N 2.98Å |
| 441 | I | 93.1 | Very high | 91.7 | Very high | 83 Ų | 83 | 97.2 Ų | 97.2 | 43% | 0.426 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 176.7 | -69.1 | 167.1 | 0 | 0 | 0 | 111 | R437 A438 R443 F444 L445 | R437-I441 HydrophobicContact CG-CD1 4.31Å; R437-I441 WeakPolarHBondContact O-CG1 3.43Å; R437-I441 PolarHBondContact O-N 3.27Å; A438-I441 PolarHBondContact O-N 3.09Å; I441-R443 VanDerWaalsContact C-N 3.29Å; I441-R443 PolarHBondContact O-N 2.84Å; I441-F444 PolarHBondContact O-N 3.3Å; I441-F444 VanDerWaalsContact O-N 3.07Å; I441-L445 HydrophobicContact CG2-CD1 3.81Å; I441-L445 HydrophobicContact CG2-CG 4.13Å; I441-L445 WeakPolarHBondContact O-CG 3.33Å; I441-L445 PolarHBondContact O-N 3.38Å |
| 442 | N | 94.6 | Very high | 91.9 | Very high | 90 Ų | 90 | 96 Ų | 96 | 48% | 0.481 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.5 | -37.8 | 179 | -74.4 | -26.4 | 0 | 0 | 0 | 112.4 | A438 H440 L445 A446 | A438-N442 WeakPolarHBondContact O-CB 3.45Å; A438-N442 PolarHBondContact O-N 3.43Å; A438-N442 PolarHBondContact O-ND2 3.27Å; H440-N442 PolarHBondContact O-N 3.2Å; N442-L445 PolarHBondContact O-N 3.3Å; N442-A446 WeakPolarHBondContact O-CB 3.46Å; N442-A446 PolarHBondContact O-N 3.29Å |
| 443 | R | 90.5 | Very high | 92.2 | Very high | 157 Ų | 157 | 96 Ų | 96 | 59% | 0.592 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.4 | -43.4 | 173.3 | -76.1 | -180 | -74.5 | 168.9 | -3.9 | 112.7 | D439 H440 I441 C447 | D439-R443 WeakPolarHBondContact O-CG 3.46Å; D439-R443 PolarHBondContact O-N 3.35Å; D439-R443 PolarHBondContact O-NE 2.96Å; H440-R443 PolarHBondContact O-N 3.19Å; I441-R443 VanDerWaalsContact C-N 3.29Å; I441-R443 PolarHBondContact O-N 2.84Å; R443-C447 PolarHBondContact O-N 3.36Å |
| 444 | F | 91.7 | Very high | 92.6 | Very high | 114 Ų | 114 | 95.8 Ų | 95.8 | 50% | 0.5 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.3 | -34.7 | 176.2 | -74.8 | -74.2 | 0 | 0 | 0 | 113.2 | F397 H440 I441 C447 R448 | F397-F444 HydrophobicContact CE1-CE1 4.48Å; F397-F444 HydrophobicContact CZ-CE1 4.32Å; H440-F444 AromaticContact CD2-CE2 3.99Å; H440-F444 AromaticContact CE1-CE2 3.67Å; H440-F444 AromaticContact NE2-CE2 3.54Å; H440-F444 VanDerWaalsContact O-CD2 3.3Å; H440-F444 WeakPolarHBondContact O-CD2 3.36Å; H440-F444 PolarHBondContact O-N 2.98Å; I441-F444 PolarHBondContact O-N 3.3Å; I441-F444 VanDerWaalsContact O-N 3.07Å; F444-C447 PolarHBondContact O-N 3.14Å; F444-R448 PolarHBondContact O-N 3.46Å |
| 445 | L | 93.5 | Very high | 92.8 | Very high | 100 Ų | 100 | 90.3 Ų | 90.3 | 52% | 0.524 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.9 | -38.6 | 176.1 | -67.3 | 178 | 0 | 0 | 0 | 111.9 | I441 N442 C447 R448 | I441-L445 HydrophobicContact CG2-CD1 3.81Å; I441-L445 HydrophobicContact CG2-CG 4.13Å; I441-L445 WeakPolarHBondContact O-CG 3.33Å; I441-L445 PolarHBondContact O-N 3.38Å; N442-L445 PolarHBondContact O-N 3.3Å; L445-C447 VanDerWaalsContact C-N 3.32Å; L445-C447 PolarHBondContact O-N 3.34Å; L445-R448 VanDerWaalsContact O-CB 3.26Å; L445-R448 WeakPolarHBondContact O-CB 3.34Å; L445-R448 PolarHBondContact O-N 2.86Å |
| 446 | A | 92.5 | Very high | 93 | Very high | 90 Ų | 90 | 91.6 Ų | 91.6 | 74% | 0.744 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.2 | -33.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N442 | N442-A446 WeakPolarHBondContact O-CB 3.46Å; N442-A446 PolarHBondContact O-N 3.29Å |
| 447 | C | 91.6 | Very high | 93.2 | Very high | 109 Ų | 109 | 91.9 Ų | 91.9 | 74% | 0.736 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 15.1 | 176.7 | -62.4 | 0 | 0 | 0 | 0 | 114 | R443 F444 L445 P449 | R443-C447 PolarHBondContact O-N 3.36Å; F444-C447 PolarHBondContact O-N 3.14Å; L445-C447 VanDerWaalsContact C-N 3.32Å; L445-C447 PolarHBondContact O-N 3.34Å; C447-P449 WeakPolarHBondContact O-CD 3.45Å |
| 448 | R | 93.9 | Very high | 93.4 | Very high | 183 Ų | 183 | 92.8 Ų | 92.8 | 69% | 0.691 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -70 | 122.8 | -179.4 | -174.8 | -179.6 | -179.8 | -179.3 | 1.6 | 110.6 | F444 L445 | F444-R448 PolarHBondContact O-N 3.46Å; L445-R448 VanDerWaalsContact O-CB 3.26Å; L445-R448 WeakPolarHBondContact O-CB 3.34Å; L445-R448 PolarHBondContact O-N 2.86Å |
| 449 | P | 94.5 | Very high | 93.5 | Very high | 50 Ų | 50 | 95.4 Ų | 95.4 | 33% | 0.325 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -60 | 147.5 | 173.4 | -21.9 | 33.3 | 0 | 0 | 0 | 111.6 | C447 D453 L454 | C447-P449 WeakPolarHBondContact O-CD 3.45Å; P449-D453 HydrophobicContact CB-CB 4.14Å; P449-L454 HydrophobicContact CB-CD2 4.07Å; P449-L454 HydrophobicContact CB-CG 4.25Å; P449-L454 HydrophobicContact CG-CD2 4.34Å |
| 450 | C | 93.4 | Very high | 93.5 | Very high | 62 Ų | 62 | 94.2 Ų | 94.2 | 42% | 0.419 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 163 | 174.6 | 70.4 | 0 | 0 | 0 | 0 | 111 | E452 D453 L454 | C450-E452 PolarHBondContact O-N 2.71Å; C450-D453 WeakPolarHBondContact O-CB 3.45Å; C450-D453 PolarHBondContact O-N 2.79Å; C450-D453 PolarHBondContact SG-N 3.36Å; C450-L454 WeakPolarHBondContact O-CG 3.4Å; C450-L454 PolarHBondContact O-N 3.44Å |
| 451 | R | 94.1 | Very high | 93.7 | Very high | 139 Ų | 139 | 93.8 Ų | 93.8 | 53% | 0.525 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -33.5 | -178.6 | 177.8 | 176.7 | 171.6 | -81.6 | 0.2 | 111.3 | L454 I455 | R451-L454 PolarHBondContact O-N 3.3Å; R451-I455 HydrophobicContact CG-CD1 4.1Å; R451-I455 WeakPolarHBondContact O-CG1 3.45Å; R451-I455 PolarHBondContact O-N 3.34Å |
| 452 | E | 94.7 | Very high | 93.6 | Very high | 102 Ų | 102 | 93.8 Ų | 93.8 | 48% | 0.477 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72.6 | -34.4 | -176.9 | -68.2 | 54.8 | -118.5 | 0 | 0 | 111.1 | C450 I455 S456 | C450-E452 PolarHBondContact O-N 2.71Å; E452-I455 PolarHBondContact O-N 3.18Å; E452-S456 WeakPolarHBondContact O-CB 3.17Å; E452-S456 PolarHBondContact O-N 3.5Å; E452-S456 PolarHBondContact O-OG 2.83Å |
| 453 | D | 94.8 | Very high | 93.5 | Very high | 71 Ų | 71 | 92.7 Ų | 92.7 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 168.7 | -84.9 | -13.4 | 0 | 0 | 0 | 111.7 | P449 C450 I455 S456 K457 | P449-D453 HydrophobicContact CB-CB 4.14Å; C450-D453 WeakPolarHBondContact O-CB 3.45Å; C450-D453 PolarHBondContact O-N 2.79Å; C450-D453 PolarHBondContact SG-N 3.36Å; D453-I455 VanDerWaalsContact C-N 3.33Å; D453-S456 PolarHBondContact O-N 3.07Å; D453-K457 WeakPolarHBondContact O-CB 3.31Å; D453-K457 WeakPolarHBondContact O-CD 3.23Å; D453-K457 VanDerWaalsContact O-CG 3.29Å; D453-K457 WeakPolarHBondContact O-CG 3.46Å; D453-K457 PolarHBondContact O-N 2.95Å |
| 454 | L | 96.5 | Very high | 93.6 | Very high | 30 Ų | 30 | 89.6 Ų | 89.6 | 16% | 0.157 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -69 | -33.9 | 179.9 | -63 | 176.3 | 0 | 0 | 0 | 111.5 | P449 C450 R451 N458 I459 I460 | P449-L454 HydrophobicContact CB-CD2 4.07Å; P449-L454 HydrophobicContact CB-CG 4.25Å; P449-L454 HydrophobicContact CG-CD2 4.34Å; C450-L454 WeakPolarHBondContact O-CG 3.4Å; C450-L454 PolarHBondContact O-N 3.44Å; R451-L454 PolarHBondContact O-N 3.3Å; L454-N458 PolarHBondContact O-N 3.24Å; L454-I459 HydrophobicContact CB-CB 4.41Å; L454-I459 HydrophobicContact CD2-CB 4.48Å; L454-I459 HydrophobicContact CD2-CD1 3.82Å; L454-I459 WeakPolarHBondContact O-CB 3.43Å; L454-I459 PolarHBondContact O-N 3.37Å; L454-I460 HydrophobicContact CB-CB 4.46Å; L454-I460 HydrophobicContact CB-CD1 3.77Å; L454-I460 HydrophobicContact CB-CG1 3.97Å; L454-I460 HydrophobicContact CD1-CD1 3.75Å; L454-I460 HydrophobicContact CG-CD1 4.43Å; L454-I460 PolarHBondContact O-N 2.95Å |
| 455 | I | 95.3 | Very high | 93.8 | Very high | 34 Ų | 34 | 91 Ų | 91 | 17% | 0.174 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -66.5 | -48.1 | 170.5 | -73 | 167.8 | 0 | 0 | 0 | 110.9 | R451 E452 D453 K457 N458 I460 | R451-I455 HydrophobicContact CG-CD1 4.1Å; R451-I455 WeakPolarHBondContact O-CG1 3.45Å; R451-I455 PolarHBondContact O-N 3.34Å; E452-I455 PolarHBondContact O-N 3.18Å; D453-I455 VanDerWaalsContact C-N 3.33Å; I455-K457 PolarHBondContact O-N 3.4Å; I455-N458 WeakPolarHBondContact O-CA 3.32Å; I455-N458 PolarHBondContact O-N 3.49Å; I455-I460 WeakPolarHBondContact CA-O 3.43Å; I455-I460 HydrophobicContact CG1-CB 4.07Å; I455-I460 HydrophobicContact CG1-CG2 4.11Å |
| 456 | S | 94.6 | Very high | 93.9 | Very high | 92 Ų | 92 | 93.1 Ų | 93.1 | 64% | 0.643 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.6 | -34.4 | 179.6 | -59 | 0 | 0 | 0 | 0 | 112.3 | E452 D453 N458 | E452-S456 WeakPolarHBondContact O-CB 3.17Å; E452-S456 PolarHBondContact O-N 3.5Å; E452-S456 PolarHBondContact O-OG 2.83Å; D453-S456 PolarHBondContact O-N 3.07Å; S456-N458 PolarHBondContact O-N 3.41Å; S456-N458 PolarHBondContact O-ND2 2.87Å |
| 457 | K | 95.6 | Very high | 94 | Very high | 101 Ų | 101 | 90.6 Ų | 90.6 | 44% | 0.439 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 4.1 | 173.8 | -68.6 | 165.5 | -174 | 162.5 | 0 | 113.8 | F391 D453 I455 I459 | F391-K457 HydrophobicContact CE1-CD 4.2Å; D453-K457 WeakPolarHBondContact O-CB 3.31Å; D453-K457 WeakPolarHBondContact O-CD 3.23Å; D453-K457 VanDerWaalsContact O-CG 3.29Å; D453-K457 WeakPolarHBondContact O-CG 3.46Å; D453-K457 PolarHBondContact O-N 2.95Å; I455-K457 PolarHBondContact O-N 3.4Å; K457-I459 HydrophobicContact CB-CD1 3.94Å; K457-I459 HydrophobicContact CB-CG1 4.04Å; K457-I459 PolarHBondContact O-N 3.28Å |
| 458 | N | 93 | Very high | 94.2 | Very high | 131 Ų | 131 | 91 Ų | 91 | 70% | 0.701 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 26.9 | -176.4 | -69.7 | -91.6 | 0 | 0 | 0 | 114.4 | L454 I455 S456 | L454-N458 PolarHBondContact O-N 3.24Å; I455-N458 WeakPolarHBondContact O-CA 3.32Å; I455-N458 PolarHBondContact O-N 3.49Å; S456-N458 PolarHBondContact O-N 3.41Å; S456-N458 PolarHBondContact O-ND2 2.87Å |
| 459 | I | 95.1 | Very high | 94.3 | Very high | 98 Ų | 98 | 84.8 Ų | 84.8 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -80.9 | -39.4 | 174.4 | -60.3 | 170.9 | 0 | 0 | 0 | 109.9 | F391 L454 K457 | F391-I459 HydrophobicContact CZ-CD1 4.39Å; L454-I459 HydrophobicContact CB-CB 4.41Å; L454-I459 HydrophobicContact CD2-CB 4.48Å; L454-I459 HydrophobicContact CD2-CD1 3.82Å; L454-I459 WeakPolarHBondContact O-CB 3.43Å; L454-I459 PolarHBondContact O-N 3.37Å; K457-I459 HydrophobicContact CB-CD1 3.94Å; K457-I459 HydrophobicContact CB-CG1 4.04Å; K457-I459 PolarHBondContact O-N 3.28Å |
| 460 | I | 92.9 | Very high | 94.4 | Very high | 60 Ų | 60 | 87.9 Ų | 87.9 | 31% | 0.308 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -111.3 | 125.3 | 173.2 | -62.4 | 177.5 | 0 | 0 | 0 | 108.1 | L454 I455 S462 | L454-I460 HydrophobicContact CB-CB 4.46Å; L454-I460 HydrophobicContact CB-CD1 3.77Å; L454-I460 HydrophobicContact CB-CG1 3.97Å; L454-I460 HydrophobicContact CD1-CD1 3.75Å; L454-I460 HydrophobicContact CG-CD1 4.43Å; L454-I460 PolarHBondContact O-N 2.95Å; I455-I460 WeakPolarHBondContact CA-O 3.43Å; I455-I460 HydrophobicContact CG1-CB 4.07Å; I455-I460 HydrophobicContact CG1-CG2 4.11Å; I460-S462 PolarHBondContact O-N 3.37Å |
| 461 | P | 92.4 | Very high | 94.6 | Very high | 74 Ų | 74 | 89.7 Ų | 89.7 | 48% | 0.481 | 48% | 0.477 | S | S | . | . | trans | -61.8 | 131.7 | 172.3 | -22.7 | 34 | 0 | 0 | 0 | 111.6 | ||||
| 462 | S | 91.1 | Very high | 94.8 | Very high | 82 Ų | 82 | 90.6 Ų | 90.6 | 57% | 0.573 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -73.9 | -28.3 | 170.6 | 45.8 | 0 | 0 | 0 | 0 | 113.2 | I460 | I460-S462 PolarHBondContact O-N 3.37Š|
| 463 | T | 91.7 | Very high | 94.9 | Very high | 68 Ų | 68 | 90.8 Ų | 90.8 | 42% | 0.417 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -117.6 | 158.3 | -173.5 | 54 | 0 | 0 | 0 | 0 | 111.9 | R468 | T463-R468 WeakPolarHBondContact OG1-CG 3.3Š|
| 464 | T | 93.9 | Very high | 95.1 | Very high | 92 Ų | 92 | 92.7 Ų | 92.7 | 56% | 0.564 | 49% | 0.493 | S | S | * | . | trans | -63.1 | 158 | 174.2 | 62.1 | 0 | 0 | 0 | 0 | 111.4 | E466 A467 R468 | T464-E466 VanDerWaalsContact C-N 3.27Å; T464-E466 PolarHBondContact O-N 3.48Å; T464-A467 PolarHBondContact O-N 3.45Å; T464-A467 WeakPolarHBondContact OG1-CB 3.47Å; T464-A467 PolarHBondContact OG1-N 3.21Å; T464-R468 WeakPolarHBondContact O-CG 3.1Å; T464-R468 PolarHBondContact O-N 2.92Å; T464-R468 VanDerWaalsContact O-N 3.16Å | ||
| 465 | L | 94.4 | Very high | 95.2 | Very high | 142 Ų | 142 | 95.3 Ų | 95.3 | 74% | 0.743 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.6 | -36.4 | 177.2 | -66.6 | 176.5 | 0 | 0 | 0 | 112.1 | R468 A469 | L465-R468 PolarHBondContact O-N 3.26Å; L465-A469 PolarHBondContact O-N 3.35Å |
| 466 | E | 95.5 | Very high | 95.3 | Very high | 145 Ų | 145 | 98.7 Ų | 98.7 | 68% | 0.678 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.4 | -52.8 | 176.4 | -174.1 | 169.7 | -149.5 | 0 | 0 | 111.7 | T464 R468 A469 E470 | T464-E466 VanDerWaalsContact C-N 3.27Å; T464-E466 PolarHBondContact O-N 3.48Å; E466-R468 PolarHBondContact O-N 2.79Å; E466-R468 VanDerWaalsContact O-N 3.17Å; E466-A469 WeakPolarHBondContact O-CA 3.41Å; E466-A469 WeakPolarHBondContact O-CB 3.17Å; E466-A469 PolarHBondContact O-N 2.88Å; E466-E470 PolarHBondContact O-N 2.93Å |
| 467 | A | 95.4 | Very high | 95.5 | Very high | 38 Ų | 38 | 96.8 Ų | 96.8 | 31% | 0.314 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -29.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T464 L471 | T464-A467 PolarHBondContact O-N 3.45Å; T464-A467 WeakPolarHBondContact OG1-CB 3.47Å; T464-A467 PolarHBondContact OG1-N 3.21Å; A467-L471 VanDerWaalsContact O-CB 3.25Å; A467-L471 WeakPolarHBondContact O-CB 3.36Å; A467-L471 PolarHBondContact O-N 3.44Å |
| 468 | R | 96 | Very high | 95.6 | Very high | 118 Ų | 118 | 94.3 Ų | 94.3 | 45% | 0.445 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.1 | -34 | 172 | -68.6 | 170.9 | 66.9 | 100.2 | -0.9 | 112.4 | T463 T464 L465 E466 R472 | T463-R468 WeakPolarHBondContact OG1-CG 3.3Å; T464-R468 WeakPolarHBondContact O-CG 3.1Å; T464-R468 PolarHBondContact O-N 2.92Å; T464-R468 VanDerWaalsContact O-N 3.16Å; L465-R468 PolarHBondContact O-N 3.26Å; E466-R468 PolarHBondContact O-N 2.79Å; E466-R468 VanDerWaalsContact O-N 3.17Å; R468-R472 WeakPolarHBondContact O-CB 3.25Å; R468-R472 PolarHBondContact O-N 3.24Å; R468-R472 VanDerWaalsContact O-N 3.1Å |
| 469 | A | 96.2 | Very high | 95.9 | Very high | 51 Ų | 51 | 92.2 Ų | 92.2 | 42% | 0.421 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.1 | -44.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L465 E466 R472 I473 | L465-A469 PolarHBondContact O-N 3.35Å; E466-A469 WeakPolarHBondContact O-CA 3.41Å; E466-A469 WeakPolarHBondContact O-CB 3.17Å; E466-A469 PolarHBondContact O-N 2.88Å; A469-R472 WeakPolarHBondContact O-CB 3.36Å; A469-R472 PolarHBondContact O-N 3.26Å; A469-I473 WeakPolarHBondContact O-CG1 3.3Å; A469-I473 PolarHBondContact O-N 3.05Å |
| 470 | E | 97.1 | Very high | 96 | Very high | 115 Ų | 115 | 93.4 Ų | 93.4 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.2 | -51.9 | 173.2 | -66.7 | -177.2 | 143 | 0 | 0 | 111.4 | E466 R472 I473 D474 | E466-E470 PolarHBondContact O-N 2.93Å; E470-R472 PolarHBondContact O-N 3.3Å; E470-I473 WeakPolarHBondContact O-CB 3.35Å; E470-I473 PolarHBondContact O-N 3.21Å; E470-D474 PolarHBondContact O-N 2.86Å |
| 471 | L | 96.7 | Very high | 96.3 | Very high | 101 Ų | 101 | 99 Ų | 99 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.4 | -35.5 | 176.2 | -180 | 63 | 0 | 0 | 0 | 112.2 | A467 I475 | A467-L471 VanDerWaalsContact O-CB 3.25Å; A467-L471 WeakPolarHBondContact O-CB 3.36Å; A467-L471 PolarHBondContact O-N 3.44Å; L471-I475 HydrophobicContact CD1-CD1 4.05Å; L471-I475 HydrophobicContact CD1-CG1 4.32Å; L471-I475 HydrophobicContact CG-CD1 3.88Å; L471-I475 WeakPolarHBondContact O-CB 3.43Å; L471-I475 WeakPolarHBondContact O-CD1 3.38Å; L471-I475 WeakPolarHBondContact O-CG1 3.42Å; L471-I475 PolarHBondContact O-N 2.68Å |
| 472 | R | 97.8 | Very high | 96.5 | Very high | 157 Ų | 157 | 103.6 Ų | 103.6 | 59% | 0.592 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.9 | -42.8 | 175.4 | -171.5 | -171.1 | 172.1 | -67.4 | -8 | 111.3 | R468 A469 E470 I475 E476 | R468-R472 WeakPolarHBondContact O-CB 3.25Å; R468-R472 PolarHBondContact O-N 3.24Å; R468-R472 VanDerWaalsContact O-N 3.1Å; A469-R472 WeakPolarHBondContact O-CB 3.36Å; A469-R472 PolarHBondContact O-N 3.26Å; E470-R472 PolarHBondContact O-N 3.3Å; R472-I475 PolarHBondContact O-N 3.33Å; R472-E476 IonicContact CZ-OE2 2.84Å; R472-E476 IonicContact NH1-OE2 3.33Å; R472-E476 PolarHBondContact NH1-OE2 3.4Å; R472-E476 IonicContact NH2-OE2 2.7Å; R472-E476 WeakPolarHBondContact O-CB 3.48Å; R472-E476 PolarHBondContact O-N 3.26Å |
| 473 | I | 97.8 | Very high | 96.9 | Very high | 107 Ų | 107 | 104.9 Ų | 104.9 | 55% | 0.549 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.1 | -44 | 177.4 | -66.5 | 162.9 | 0 | 0 | 0 | 110.6 | A469 E470 I475 E476 A477 | A469-I473 WeakPolarHBondContact O-CG1 3.3Å; A469-I473 PolarHBondContact O-N 3.05Å; E470-I473 WeakPolarHBondContact O-CB 3.35Å; E470-I473 PolarHBondContact O-N 3.21Å; I473-I475 PolarHBondContact O-N 2.82Å; I473-E476 PolarHBondContact O-N 3Å; I473-A477 PolarHBondContact O-N 3.17Å |
| 474 | D | 98 | Very high | 97.1 | Very high | 110 Ų | 110 | 107.8 Ų | 107.8 | 59% | 0.588 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.1 | -42.5 | 176.4 | -80.7 | -15.8 | 0 | 0 | 0 | 112.2 | E470 S478 | E470-D474 PolarHBondContact O-N 2.86Å; D474-S478 WeakPolarHBondContact O-CB 3.29Å; D474-S478 PolarHBondContact O-N 3.17Å |
| 475 | I | 98.3 | Very high | 97.3 | Very high | 86 Ų | 86 | 110.3 Ų | 110.3 | 44% | 0.441 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 174 | -72.1 | 167.3 | 0 | 0 | 0 | 110.4 | L471 R472 I473 S478 L479 | L471-I475 HydrophobicContact CD1-CD1 4.05Å; L471-I475 HydrophobicContact CD1-CG1 4.32Å; L471-I475 HydrophobicContact CG-CD1 3.88Å; L471-I475 WeakPolarHBondContact O-CB 3.43Å; L471-I475 WeakPolarHBondContact O-CD1 3.38Å; L471-I475 WeakPolarHBondContact O-CG1 3.42Å; L471-I475 PolarHBondContact O-N 2.68Å; R472-I475 PolarHBondContact O-N 3.33Å; I473-I475 PolarHBondContact O-N 2.82Å; I475-S478 PolarHBondContact O-N 2.75Å; I475-L479 HydrophobicContact CG2-CD1 3.66Å; I475-L479 HydrophobicContact CG2-CG 4.2Å; I475-L479 WeakPolarHBondContact O-CB 3.46Å; I475-L479 VanDerWaalsContact O-CG 3.23Å; I475-L479 WeakPolarHBondContact O-CG 3.4Å; I475-L479 PolarHBondContact O-N 3.29Å |
| 476 | E | 98.3 | Very high | 97.4 | Very high | 104 Ų | 104 | 112.4 Ų | 112.4 | 49% | 0.486 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.4 | -50.8 | 179.7 | -172.5 | 161.4 | -176.5 | 0 | 0 | 111.6 | R472 I473 S478 L479 E480 | R472-E476 IonicContact CZ-OE2 2.84Å; R472-E476 IonicContact NH1-OE2 3.33Å; R472-E476 PolarHBondContact NH1-OE2 3.4Å; R472-E476 IonicContact NH2-OE2 2.7Å; R472-E476 WeakPolarHBondContact O-CB 3.48Å; R472-E476 PolarHBondContact O-N 3.26Å; I473-E476 PolarHBondContact O-N 3Å; E476-S478 VanDerWaalsContact C-N 3.34Å; E476-S478 PolarHBondContact O-N 2.96Å; E476-L479 PolarHBondContact O-N 3.25Å; E476-E480 WeakPolarHBondContact O-CB 3.26Å; E476-E480 PolarHBondContact O-N 3.49Å |
| 477 | A | 97.9 | Very high | 97.5 | Very high | 52 Ų | 52 | 108.4 Ų | 108.4 | 43% | 0.43 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -35.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I473 R481 | I473-A477 PolarHBondContact O-N 3.17Å; A477-R481 PolarHBondContact O-N 3.11Å |
| 478 | S | 98.4 | Very high | 97.6 | Very high | 49 Ų | 49 | 110.5 Ų | 110.5 | 34% | 0.343 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.7 | -40.8 | 175.5 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | D474 I475 E476 R482 | D474-S478 WeakPolarHBondContact O-CB 3.29Å; D474-S478 PolarHBondContact O-N 3.17Å; I475-S478 PolarHBondContact O-N 2.75Å; E476-S478 VanDerWaalsContact C-N 3.34Å; E476-S478 PolarHBondContact O-N 2.96Å; S478-R482 VanDerWaalsContact O-CG 3.3Å; S478-R482 WeakPolarHBondContact O-CG 3.37Å; S478-R482 PolarHBondContact O-N 3.31Å |
| 479 | L | 98.5 | Very high | 97.6 | Very high | 87 Ų | 87 | 108.7 Ų | 108.7 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.7 | -45.5 | 176.2 | -74.8 | 172.9 | 0 | 0 | 0 | 111.7 | I475 E476 R481 R482 L483 | I475-L479 HydrophobicContact CG2-CD1 3.66Å; I475-L479 HydrophobicContact CG2-CG 4.2Å; I475-L479 WeakPolarHBondContact O-CB 3.46Å; I475-L479 VanDerWaalsContact O-CG 3.23Å; I475-L479 WeakPolarHBondContact O-CG 3.4Å; I475-L479 PolarHBondContact O-N 3.29Å; E476-L479 PolarHBondContact O-N 3.25Å; L479-R481 VanDerWaalsContact C-N 3.32Å; L479-R481 PolarHBondContact O-N 3.43Å; L479-R482 PolarHBondContact O-N 2.89Å; L479-R482 VanDerWaalsContact O-N 3.09Å; L479-L483 WeakPolarHBondContact O-CB 3.4Å; L479-L483 VanDerWaalsContact O-CG 3.31Å; L479-L483 WeakPolarHBondContact O-CG 3.46Å; L479-L483 PolarHBondContact O-N 2.99Å |
| 480 | E | 98.2 | Very high | 97.6 | Very high | 123 Ų | 123 | 110.3 Ų | 110.3 | 58% | 0.575 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -55 | -48.6 | 176.8 | -171.2 | -170.7 | 177.9 | 0 | 0 | 111 | E476 R482 L483 N484 | E476-E480 WeakPolarHBondContact O-CB 3.26Å; E476-E480 PolarHBondContact O-N 3.49Å; E480-R482 VanDerWaalsContact C-N 3.33Å; E480-R482 PolarHBondContact O-N 2.95Å; E480-L483 PolarHBondContact O-N 2.97Å; E480-N484 WeakPolarHBondContact O-CB 3.28Å; E480-N484 PolarHBondContact O-N 3.35Å; E480-N484 PolarHBondContact O-ND2 3.33Å |
| 481 | R | 98.1 | Very high | 97.6 | Very high | 177 Ų | 177 | 108.6 Ų | 108.6 | 67% | 0.668 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -57.5 | -43.1 | 175.8 | -173.1 | -176.3 | -62.5 | -170.8 | 2.2 | 112.5 | A477 L479 Q485 | A477-R481 PolarHBondContact O-N 3.11Å; L479-R481 VanDerWaalsContact C-N 3.32Å; L479-R481 PolarHBondContact O-N 3.43Å; R481-Q485 WeakPolarHBondContact O-CG 3.39Å; R481-Q485 PolarHBondContact O-N 3.01Å |
| 482 | R | 98.2 | Very high | 97.7 | Very high | 172 Ų | 172 | 106.2 Ų | 106.2 | 65% | 0.649 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.8 | -36.2 | 179.9 | -72.2 | 173.3 | -174.6 | -167 | 1.9 | 112.6 | S478 L479 E480 Q485 R486 | S478-R482 VanDerWaalsContact O-CG 3.3Å; S478-R482 WeakPolarHBondContact O-CG 3.37Å; S478-R482 PolarHBondContact O-N 3.31Å; L479-R482 PolarHBondContact O-N 2.89Å; L479-R482 VanDerWaalsContact O-N 3.09Å; E480-R482 VanDerWaalsContact C-N 3.33Å; E480-R482 PolarHBondContact O-N 2.95Å; R482-Q485 CarbonylContact O-C 3.59Å; R482-Q485 PolarHBondContact O-N 3.36Å; R482-R486 PolarHBondContact O-N 3.42Å; R482-R486 VanDerWaalsContact O-N 3.14Å |
| 483 | L | 97.8 | Very high | 97.6 | Very high | 109 Ų | 109 | 102.6 Ų | 102.6 | 57% | 0.571 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.4 | -38.9 | 177.2 | -70.8 | 171.3 | 0 | 0 | 0 | 111.4 | L479 E480 Q485 R486 | L479-L483 WeakPolarHBondContact O-CB 3.4Å; L479-L483 VanDerWaalsContact O-CG 3.31Å; L479-L483 WeakPolarHBondContact O-CG 3.46Å; L479-L483 PolarHBondContact O-N 2.99Å; E480-L483 PolarHBondContact O-N 2.97Å; L483-Q485 PolarHBondContact O-N 3.48Å; L483-R486 WeakPolarHBondContact O-CB 3.25Å; L483-R486 PolarHBondContact O-N 3.28Å |
| 484 | N | 97.3 | Very high | 97.5 | Very high | 129 Ų | 129 | 105.3 Ų | 105.3 | 69% | 0.69 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66 | -21.1 | 172.7 | -70.9 | -23.8 | 0 | 0 | 0 | 113.4 | E480 | E480-N484 WeakPolarHBondContact O-CB 3.28Å; E480-N484 PolarHBondContact O-N 3.35Å; E480-N484 PolarHBondContact O-ND2 3.33Å |
| 485 | Q | 96.7 | Very high | 97.4 | Very high | 144 Ų | 144 | 106.7 Ų | 106.7 | 67% | 0.673 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 14 | 175.7 | -65.9 | -178.1 | -4.4 | 0 | 0 | 113.2 | R481 R482 L483 P487 | R481-Q485 WeakPolarHBondContact O-CG 3.39Å; R481-Q485 PolarHBondContact O-N 3.01Å; R482-Q485 CarbonylContact O-C 3.59Å; R482-Q485 PolarHBondContact O-N 3.36Å; L483-Q485 PolarHBondContact O-N 3.48Å; Q485-P487 VanDerWaalsContact O-CD 3.28Å; Q485-P487 WeakPolarHBondContact O-CD 3.48Å |
| 486 | R | 97.8 | Very high | 97.2 | Very high | 187 Ų | 187 | 107.9 Ų | 107.9 | 71% | 0.706 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 119.3 | -173.7 | -177 | 177.7 | -177 | 176.2 | 2.3 | 111 | R482 L483 | R482-R486 PolarHBondContact O-N 3.42Å; R482-R486 VanDerWaalsContact O-N 3.14Å; L483-R486 WeakPolarHBondContact O-CB 3.25Å; L483-R486 PolarHBondContact O-N 3.28Å |
| 487 | P | 97.3 | Very high | 97.1 | Very high | 60 Ų | 60 | 108.3 Ų | 108.3 | 39% | 0.39 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 146.7 | 176.7 | -23.9 | 35.2 | 0 | 0 | 0 | 112.3 | Q485 E491 L492 | Q485-P487 VanDerWaalsContact O-CD 3.28Å; Q485-P487 WeakPolarHBondContact O-CD 3.48Å; P487-E491 VanDerWaalsContact CA-OE2 3.25Å; P487-E491 WeakPolarHBondContact CA-OE2 3.35Å; P487-E491 WeakPolarHBondContact CB-OE2 3.43Å; P487-L492 HydrophobicContact CB-CD2 4.14Å; P487-L492 HydrophobicContact CB-CG 4.32Å |
| 488 | T | 97 | Very high | 96.9 | Very high | 82 Ų | 82 | 109.4 Ų | 109.4 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 148.9 | 177.3 | -57.4 | 0 | 0 | 0 | 0 | 110.4 | D490 E491 L492 | T488-D490 PolarHBondContact O-N 2.89Å; T488-D490 VanDerWaalsContact O-N 3.11Å; T488-E491 PolarHBondContact N-OE2 3.43Å; T488-E491 WeakPolarHBondContact O-CB 3.45Å; T488-E491 PolarHBondContact O-N 3.29Å; T488-L492 PolarHBondContact O-N 2.93Å |
| 489 | T | 96.7 | Very high | 96.7 | Very high | 80 Ų | 80 | 110.8 Ų | 110.8 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -49.5 | -39.1 | 177.7 | -50.1 | 0 | 0 | 0 | 0 | 112.7 | L492 K493 L498 | T489-L492 PolarHBondContact O-N 3.22Å; T489-K493 WeakPolarHBondContact O-CG 3.47Å; T489-K493 PolarHBondContact O-N 3.39Å; T489-K493 VanDerWaalsContact O-N 3.17Å; T489-L498 HydrophobicContact CG2-CD2 3.42Å; T489-L498 VanDerWaalsContact CG2-CD2 3.42Å |
| 490 | D | 96 | Very high | 96.3 | Very high | 85 Ų | 85 | 111.5 Ų | 111.5 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -74.8 | -30.5 | 179.7 | -62.1 | -45.3 | 0 | 0 | 0 | 113.8 | T488 L492 K493 Q494 | T488-D490 PolarHBondContact O-N 2.89Å; T488-D490 VanDerWaalsContact O-N 3.11Å; D490-L492 VanDerWaalsContact C-N 3.3Å; D490-L492 PolarHBondContact O-N 3.36Å; D490-K493 WeakPolarHBondContact O-CB 3.37Å; D490-K493 PolarHBondContact O-N 3.08Å; D490-K493 WeakPolarHBondContact OD1-CD 3.47Å; D490-K493 WeakPolarHBondContact OD1-CE 3.42Å; D490-K493 IonicContact OD1-NZ 2.71Å; D490-K493 PolarHBondContact OD1-NZ 2.96Å; D490-Q494 WeakPolarHBondContact O-CG 3.35Å; D490-Q494 PolarHBondContact O-N 3.24Å |
| 491 | E | 97.3 | Very high | 96 | Very high | 80 Ų | 80 | 109.6 Ų | 109.6 | 37% | 0.374 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.1 | -36.2 | 171.5 | -60.1 | 176.9 | 137 | 0 | 0 | 111 | P487 T488 K493 Q494 K495 | P487-E491 VanDerWaalsContact CA-OE2 3.25Å; P487-E491 WeakPolarHBondContact CA-OE2 3.35Å; P487-E491 WeakPolarHBondContact CB-OE2 3.43Å; T488-E491 PolarHBondContact N-OE2 3.43Å; T488-E491 WeakPolarHBondContact O-CB 3.45Å; T488-E491 PolarHBondContact O-N 3.29Å; E491-K493 VanDerWaalsContact C-N 3.34Å; E491-Q494 PolarHBondContact O-N 3.18Å; E491-K495 WeakPolarHBondContact O-CB 3.32Å; E491-K495 VanDerWaalsContact O-CG 3.32Å; E491-K495 WeakPolarHBondContact O-CG 3.4Å; E491-K495 PolarHBondContact O-N 3.4Å |
| 492 | L | 98 | Very high | 95.7 | Very high | 51 Ų | 51 | 105.5 Ų | 105.5 | 27% | 0.267 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.6 | -32.3 | 174.8 | -63.6 | 177.1 | 0 | 0 | 0 | 112.2 | P487 T488 T489 D490 N496 I497 L498 | P487-L492 HydrophobicContact CB-CD2 4.14Å; P487-L492 HydrophobicContact CB-CG 4.32Å; T488-L492 PolarHBondContact O-N 2.93Å; T489-L492 PolarHBondContact O-N 3.22Å; D490-L492 VanDerWaalsContact C-N 3.3Å; D490-L492 PolarHBondContact O-N 3.36Å; L492-N496 PolarHBondContact O-N 3.42Å; L492-I497 HydrophobicContact CB-CB 4.49Å; L492-I497 HydrophobicContact CD2-CB 4.36Å; L492-I497 HydrophobicContact CD2-CD1 3.97Å; L492-I497 HydrophobicContact CD2-CG2 4.37Å; L492-I497 PolarHBondContact O-N 3.5Å; L492-L498 HydrophobicContact CB-CB 3.82Å; L492-L498 PolarHBondContact O-N 2.87Å |
| 493 | K | 95.8 | Very high | 95.5 | Very high | 81 Ų | 81 | 103.2 Ų | 103.2 | 35% | 0.352 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.7 | -48.8 | 170.5 | -64.3 | 169.6 | -169.4 | 166.7 | 0 | 111.3 | T489 D490 E491 K495 N496 L498 V500 | T489-K493 WeakPolarHBondContact O-CG 3.47Å; T489-K493 PolarHBondContact O-N 3.39Å; T489-K493 VanDerWaalsContact O-N 3.17Å; D490-K493 WeakPolarHBondContact O-CB 3.37Å; D490-K493 PolarHBondContact O-N 3.08Å; D490-K493 WeakPolarHBondContact OD1-CD 3.47Å; D490-K493 WeakPolarHBondContact OD1-CE 3.42Å; D490-K493 IonicContact OD1-NZ 2.71Å; D490-K493 PolarHBondContact OD1-NZ 2.96Å; E491-K493 VanDerWaalsContact C-N 3.34Å; K493-K495 VanDerWaalsContact C-N 3.3Å; K493-K495 PolarHBondContact O-N 3.47Å; K493-N496 WeakPolarHBondContact O-CA 3.44Å; K493-N496 PolarHBondContact O-N 3.33Å; K493-L498 WeakPolarHBondContact CA-O 3.48Å; K493-L498 HydrophobicContact CG-CB 4.47Å; K493-L498 HydrophobicContact CG-CD2 4.35Å; K493-L498 HydrophobicContact CG-CG 4.46Å; K493-V500 HydrophobicContact CB-CG2 4.44Å; K493-V500 HydrophobicContact CD-CG2 3.48Å; K493-V500 VanDerWaalsContact CD-CG2 3.48Å; K493-V500 HydrophobicContact CG-CG2 3.68Å |
| 494 | Q | 95.4 | Very high | 95.3 | Very high | 164 Ų | 164 | 105.5 Ų | 105.5 | 77% | 0.766 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61 | -37.1 | 179.5 | -71.2 | 172.7 | 8.8 | 0 | 0 | 112.6 | D490 E491 N496 | D490-Q494 WeakPolarHBondContact O-CG 3.35Å; D490-Q494 PolarHBondContact O-N 3.24Å; E491-Q494 PolarHBondContact O-N 3.18Å; Q494-N496 PolarHBondContact O-N 3.32Å |
| 495 | K | 97.1 | Very high | 95.2 | Very high | 138 Ų | 138 | 102.4 Ų | 102.4 | 60% | 0.6 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 1.8 | 174.3 | -69.5 | 171.5 | -177.8 | 169.4 | 0 | 113.9 | E491 K493 I497 | E491-K495 WeakPolarHBondContact O-CB 3.32Å; E491-K495 VanDerWaalsContact O-CG 3.32Å; E491-K495 WeakPolarHBondContact O-CG 3.4Å; E491-K495 PolarHBondContact O-N 3.4Å; K493-K495 VanDerWaalsContact C-N 3.3Å; K493-K495 PolarHBondContact O-N 3.47Å; K495-I497 HydrophobicContact CB-CD1 3.92Å; K495-I497 HydrophobicContact CB-CG1 4.05Å; K495-I497 HydrophobicContact CD-CD1 4.43Å; K495-I497 PolarHBondContact O-N 3.32Å |
| 496 | N | 93.7 | Very high | 95.1 | Very high | 112 Ų | 112 | 99.7 Ų | 99.7 | 60% | 0.599 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 39.4 | -175.3 | -164.1 | 78.3 | 0 | 0 | 0 | 113.3 | L492 K493 Q494 H499 | L492-N496 PolarHBondContact O-N 3.42Å; K493-N496 WeakPolarHBondContact O-CA 3.44Å; K493-N496 PolarHBondContact O-N 3.33Å; Q494-N496 PolarHBondContact O-N 3.32Å; N496-H499 PolarHBondContact ND2-NE2 3.16Å |
| 497 | I | 95.6 | Very high | 95 | Very high | 112 Ų | 112 | 94.7 Ų | 94.7 | 57% | 0.574 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -96.8 | -45.9 | 172.5 | -60.5 | 170.7 | 0 | 0 | 0 | 109.2 | L492 K495 | L492-I497 HydrophobicContact CB-CB 4.49Å; L492-I497 HydrophobicContact CD2-CB 4.36Å; L492-I497 HydrophobicContact CD2-CD1 3.97Å; L492-I497 HydrophobicContact CD2-CG2 4.37Å; L492-I497 PolarHBondContact O-N 3.5Å; K495-I497 HydrophobicContact CB-CD1 3.92Å; K495-I497 HydrophobicContact CB-CG1 4.05Å; K495-I497 HydrophobicContact CD-CD1 4.43Å; K495-I497 PolarHBondContact O-N 3.32Å |
| 498 | L | 94.9 | Very high | 94.9 | Very high | 75 Ų | 75 | 98.5 Ų | 98.5 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -100 | 107.6 | 174.6 | -179.9 | 63.2 | 0 | 0 | 0 | 109.8 | T489 L492 K493 | T489-L498 HydrophobicContact CG2-CD2 3.42Å; T489-L498 VanDerWaalsContact CG2-CD2 3.42Å; L492-L498 HydrophobicContact CB-CB 3.82Å; L492-L498 PolarHBondContact O-N 2.87Å; K493-L498 WeakPolarHBondContact CA-O 3.48Å; K493-L498 HydrophobicContact CG-CB 4.47Å; K493-L498 HydrophobicContact CG-CD2 4.35Å; K493-L498 HydrophobicContact CG-CG 4.46Å |
| 499 | H | 93.2 | Very high | 94.9 | Very high | 78 Ų | 78 | 96.9 Ų | 96.9 | 36% | 0.361 | 49% | 0.485 | S | S | . | . | trans | -76.5 | 130.6 | 172.7 | -55.1 | 110.5 | 0 | 0 | 0 | 110.1 | N496 R506 | N496-H499 PolarHBondContact ND2-NE2 3.16Å; H499-R506 PolarHBondContact CE1-NH1 3.45Å; H499-R506 VanDerWaalsContact CE1-NH1 3.33Å; H499-R506 PolarHBondContact ND1-NH1 3.26Å; H499-R506 PolarHBondContact NE2-NH1 3.16Å | ||
| 500 | V | 90.2 | Very high | 94.9 | Very high | 103 Ų | 103 | 100 Ų | 100 | 62% | 0.624 | 49% | 0.492 | S | S | * | . | trans | -79.3 | -36.9 | 175.3 | -175.5 | 0 | 0 | 0 | 0 | 111 | K493 | K493-V500 HydrophobicContact CB-CG2 4.44Å; K493-V500 HydrophobicContact CD-CG2 3.48Å; K493-V500 VanDerWaalsContact CD-CG2 3.48Å; K493-V500 HydrophobicContact CG-CG2 3.68Å | ||
| 501 | D | 90.9 | Very high | 95 | Very high | 82 Ų | 82 | 99.7 Ų | 99.7 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -88 | 139.8 | -173.5 | -50.1 | -42.2 | 0 | 0 | 0 | 111.7 | V505 R506 | D501-V505 HydrophobicContact CB-CB 4.13Å; D501-V505 HydrophobicContact CB-CG1 4Å; D501-R506 HydrophobicContact CB-CG 3.84Å; D501-R506 PolarHBondContact O-NE 2.94Å |
| 502 | T | 92.5 | Very high | 95 | Very high | 92 Ų | 92 | 100.1 Ų | 100.1 | 56% | 0.564 | 49% | 0.489 | S | S | * | . | trans | -52.9 | 148.8 | 168.4 | -46.8 | 0 | 0 | 0 | 0 | 110.7 | E504 V505 R506 | T502-E504 VanDerWaalsContact C-N 3.25Å; T502-E504 HydrophobicContact CG2-CB 4.5Å; T502-E504 HydrophobicContact CG2-CG 4.5Å; T502-E504 PolarHBondContact O-N 2.95Å; T502-V505 WeakPolarHBondContact O-CB 3.42Å; T502-V505 PolarHBondContact O-N 3.23Å; T502-R506 PolarHBondContact O-N 3.37Å; T502-R506 VanDerWaalsContact O-N 3.08Å | ||
| 503 | E | 93.6 | Very high | 95 | Very high | 124 Ų | 124 | 106.2 Ų | 106.2 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -53.2 | -40.4 | 178.7 | -178.2 | 167.3 | -170.1 | 0 | 0 | 113.6 | V505 R506 N507 | E503-V505 VanDerWaalsContact C-N 3.34Å; E503-V505 PolarHBondContact O-N 3.21Å; E503-R506 PolarHBondContact O-N 2.84Å; E503-N507 WeakPolarHBondContact O-CB 3.47Å; E503-N507 PolarHBondContact O-N 2.89Å; E503-N507 PolarHBondContact O-ND2 3.18Å |
| 504 | E | 94.2 | Very high | 95.1 | Very high | 156 Ų | 156 | 107.6 Ų | 107.6 | 73% | 0.729 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -55.2 | -45.3 | 174 | -62.4 | 175.6 | 179.4 | 0 | 0 | 112.7 | T502 N507 K508 | T502-E504 VanDerWaalsContact C-N 3.25Å; T502-E504 HydrophobicContact CG2-CB 4.5Å; T502-E504 HydrophobicContact CG2-CG 4.5Å; T502-E504 PolarHBondContact O-N 2.95Å; E504-N507 PolarHBondContact O-N 2.95Å; E504-K508 WeakPolarHBondContact O-CB 3.31Å; E504-K508 PolarHBondContact O-N 3.35Å |
| 505 | V | 95 | Very high | 95.2 | Very high | 65 Ų | 65 | 105.5 Ų | 105.5 | 39% | 0.394 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.2 | -43.2 | 179.3 | 176.5 | 0 | 0 | 0 | 0 | 110.3 | D501 T502 E503 N507 K508 I509 | D501-V505 HydrophobicContact CB-CB 4.13Å; D501-V505 HydrophobicContact CB-CG1 4Å; T502-V505 WeakPolarHBondContact O-CB 3.42Å; T502-V505 PolarHBondContact O-N 3.23Å; E503-V505 VanDerWaalsContact C-N 3.34Å; E503-V505 PolarHBondContact O-N 3.21Å; V505-N507 VanDerWaalsContact C-N 3.32Å; V505-N507 PolarHBondContact O-N 2.95Å; V505-K508 PolarHBondContact O-N 3.48Å; V505-I509 HydrophobicContact CG1-CD1 3.86Å; V505-I509 VanDerWaalsContact O-CG1 3.31Å; V505-I509 WeakPolarHBondContact O-CG1 3.45Å; V505-I509 PolarHBondContact O-N 3.44Å |
| 506 | R | 93.9 | Very high | 95.3 | Very high | 87 Ų | 87 | 102.9 Ų | 102.9 | 33% | 0.328 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 175.4 | -64.7 | -171.6 | -69.2 | 139.7 | 9.9 | 111.8 | H499 D501 T502 E503 K510 | H499-R506 PolarHBondContact CE1-NH1 3.45Å; H499-R506 VanDerWaalsContact CE1-NH1 3.33Å; H499-R506 PolarHBondContact ND1-NH1 3.26Å; H499-R506 PolarHBondContact NE2-NH1 3.16Å; D501-R506 HydrophobicContact CB-CG 3.84Å; D501-R506 PolarHBondContact O-NE 2.94Å; T502-R506 PolarHBondContact O-N 3.37Å; T502-R506 VanDerWaalsContact O-N 3.08Å; E503-R506 PolarHBondContact O-N 2.84Å; R506-K510 VanDerWaalsContact O-CB 3.31Å; R506-K510 WeakPolarHBondContact O-CB 3.21Å; R506-K510 PolarHBondContact O-N 3.45Å |
| 507 | N | 95.9 | Very high | 95.5 | Very high | 81 Ų | 81 | 102.3 Ų | 102.3 | 43% | 0.433 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68 | -40.3 | 176.8 | -75.1 | -25 | 0 | 0 | 0 | 112 | E503 E504 V505 K510 E511 | E503-N507 WeakPolarHBondContact O-CB 3.47Å; E503-N507 PolarHBondContact O-N 2.89Å; E503-N507 PolarHBondContact O-ND2 3.18Å; E504-N507 PolarHBondContact O-N 2.95Å; V505-N507 VanDerWaalsContact C-N 3.32Å; V505-N507 PolarHBondContact O-N 2.95Å; N507-K510 WeakPolarHBondContact O-CB 3.39Å; N507-K510 PolarHBondContact O-N 3.47Å; N507-E511 PolarHBondContact O-N 2.76Å |
| 508 | K | 96.6 | Very high | 95.6 | Very high | 140 Ų | 140 | 101.4 Ų | 101.4 | 61% | 0.609 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.8 | -48.6 | 173.7 | -168.5 | -179.5 | 180 | -173.9 | 0 | 111.9 | E504 V505 K510 E511 E512 | E504-K508 WeakPolarHBondContact O-CB 3.31Å; E504-K508 PolarHBondContact O-N 3.35Å; V505-K508 PolarHBondContact O-N 3.48Å; K508-K510 VanDerWaalsContact C-N 3.26Å; K508-K510 PolarHBondContact O-N 2.84Å; K508-E511 PolarHBondContact O-N 2.95Å; K508-E512 WeakPolarHBondContact CE-OE1 3.44Å; K508-E512 WeakPolarHBondContact O-CG 3.35Å; K508-E512 PolarHBondContact O-N 2.92Å |
| 509 | I | 96.2 | Very high | 95.7 | Very high | 49 Ų | 49 | 105 Ų | 105 | 25% | 0.251 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.2 | -38.1 | 175.1 | -68.7 | 167.2 | 0 | 0 | 0 | 111.2 | V505 R513 | V505-I509 HydrophobicContact CG1-CD1 3.86Å; V505-I509 VanDerWaalsContact O-CG1 3.31Å; V505-I509 WeakPolarHBondContact O-CG1 3.45Å; V505-I509 PolarHBondContact O-N 3.44Å; I509-R513 HydrophobicContact CG2-CG 4.43Å; I509-R513 VanDerWaalsContact CG2-CZ 3.49Å; I509-R513 VanDerWaalsContact O-CB 3.3Å; I509-R513 WeakPolarHBondContact O-CB 3.17Å; I509-R513 WeakPolarHBondContact O-CG 3.3Å; I509-R513 PolarHBondContact O-N 2.99Å |
| 510 | K | 97.2 | Very high | 96 | Very high | 145 Ų | 145 | 108 Ų | 108 | 63% | 0.63 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.5 | -43 | 176.8 | -175.8 | -178.2 | 178.3 | -175.3 | 0 | 111.8 | R506 N507 K508 K514 | R506-K510 VanDerWaalsContact O-CB 3.31Å; R506-K510 WeakPolarHBondContact O-CB 3.21Å; R506-K510 PolarHBondContact O-N 3.45Å; N507-K510 WeakPolarHBondContact O-CB 3.39Å; N507-K510 PolarHBondContact O-N 3.47Å; K508-K510 VanDerWaalsContact C-N 3.26Å; K508-K510 PolarHBondContact O-N 2.84Å; K510-K514 WeakPolarHBondContact O-CB 3.3Å; K510-K514 PolarHBondContact O-N 3.23Å |
| 511 | E | 97.6 | Very high | 96.3 | Very high | 78 Ų | 78 | 108.1 Ų | 108.1 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.7 | -41.3 | 177.9 | -169.8 | 56.7 | -145 | 0 | 0 | 111.8 | N507 K508 R513 K514 Q515 | N507-E511 PolarHBondContact O-N 2.76Å; K508-E511 PolarHBondContact O-N 2.95Å; E511-R513 PolarHBondContact O-N 2.87Å; E511-K514 WeakPolarHBondContact O-CB 3.31Å; E511-K514 PolarHBondContact O-N 3.06Å; E511-K514 VanDerWaalsContact O-N 3.16Å; E511-K514 IonicContact OE1-NZ 2.88Å; E511-K514 PolarHBondContact OE1-NZ 3.14Å; E511-K514 IonicContact OE2-NZ 3.79Å; E511-K514 PolarHBondContact OE2-NZ 2.96Å; E511-Q515 WeakPolarHBondContact O-CG 3.26Å; E511-Q515 PolarHBondContact O-N 2.7Å |
| 512 | E | 97.7 | Very high | 96.5 | Very high | 89 Ų | 89 | 108.3 Ų | 108.3 | 42% | 0.416 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.5 | -46 | 172.2 | -72.3 | 171.1 | -173.6 | 0 | 0 | 111.5 | K508 K514 Q515 I516 | K508-E512 WeakPolarHBondContact CE-OE1 3.44Å; K508-E512 WeakPolarHBondContact O-CG 3.35Å; K508-E512 PolarHBondContact O-N 2.92Å; E512-K514 VanDerWaalsContact C-N 3.33Å; E512-K514 PolarHBondContact O-N 3.41Å; E512-Q515 PolarHBondContact O-N 3.39Å; E512-I516 WeakPolarHBondContact O-CB 3.47Å; E512-I516 VanDerWaalsContact O-CG1 3.26Å; E512-I516 WeakPolarHBondContact O-CG1 3.43Å; E512-I516 PolarHBondContact O-N 3.24Å |
| 513 | R | 98 | Very high | 96.7 | Very high | 179 Ų | 179 | 111.8 Ų | 111.8 | 68% | 0.675 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.4 | -41 | 174.2 | -76.3 | 171.5 | -178.4 | 174 | 3.8 | 112.2 | I509 E511 L517 | I509-R513 HydrophobicContact CG2-CG 4.43Å; I509-R513 VanDerWaalsContact CG2-CZ 3.49Å; I509-R513 VanDerWaalsContact O-CB 3.3Å; I509-R513 WeakPolarHBondContact O-CB 3.17Å; I509-R513 WeakPolarHBondContact O-CG 3.3Å; I509-R513 PolarHBondContact O-N 2.99Å; E511-R513 PolarHBondContact O-N 2.87Å; R513-L517 VanDerWaalsContact O-CB 3.3Å; R513-L517 WeakPolarHBondContact O-CB 3.34Å; R513-L517 PolarHBondContact O-N 2.88Å |
| 514 | K | 98.1 | Very high | 96.9 | Very high | 111 Ų | 111 | 114.8 Ų | 114.8 | 48% | 0.483 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 176.7 | 175 | 173.6 | 152 | -114.5 | 0 | 111.4 | K510 E511 E512 I516 L517 T518 | K510-K514 WeakPolarHBondContact O-CB 3.3Å; K510-K514 PolarHBondContact O-N 3.23Å; E511-K514 WeakPolarHBondContact O-CB 3.31Å; E511-K514 PolarHBondContact O-N 3.06Å; E511-K514 VanDerWaalsContact O-N 3.16Å; E511-K514 IonicContact OE1-NZ 2.88Å; E511-K514 PolarHBondContact OE1-NZ 3.14Å; E511-K514 IonicContact OE2-NZ 3.79Å; E511-K514 PolarHBondContact OE2-NZ 2.96Å; E512-K514 VanDerWaalsContact C-N 3.33Å; E512-K514 PolarHBondContact O-N 3.41Å; K514-I516 PolarHBondContact O-N 2.65Å; K514-L517 PolarHBondContact O-N 3.23Å; K514-T518 PolarHBondContact O-N 2.97Å; K514-T518 PolarHBondContact O-OG1 3.18Å |
| 515 | Q | 97.9 | Very high | 96.9 | Very high | 119 Ų | 119 | 109.8 Ų | 109.8 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60 | -45.6 | 176 | -70.2 | 175.6 | 14.2 | 0 | 0 | 112 | E511 E512 L517 T518 R519 | E511-Q515 WeakPolarHBondContact O-CG 3.26Å; E511-Q515 PolarHBondContact O-N 2.7Å; E512-Q515 PolarHBondContact O-N 3.39Å; Q515-L517 VanDerWaalsContact C-N 3.34Å; Q515-L517 PolarHBondContact O-N 3.43Å; Q515-T518 PolarHBondContact O-N 2.98Å; Q515-R519 WeakPolarHBondContact O-CB 3.37Å; Q515-R519 PolarHBondContact O-N 2.99Å |
| 516 | I | 98 | Very high | 96.9 | Very high | 84 Ų | 84 | 110.7 Ų | 110.7 | 43% | 0.431 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 176 | -68.4 | 165.3 | 0 | 0 | 0 | 111.1 | E512 K514 K520 | E512-I516 WeakPolarHBondContact O-CB 3.47Å; E512-I516 VanDerWaalsContact O-CG1 3.26Å; E512-I516 WeakPolarHBondContact O-CG1 3.43Å; E512-I516 PolarHBondContact O-N 3.24Å; K514-I516 PolarHBondContact O-N 2.65Å; I516-K520 HydrophobicContact CG2-CD 4.33Å; I516-K520 WeakPolarHBondContact O-CG 3.31Å; I516-K520 PolarHBondContact O-N 2.93Å |
| 517 | L | 98.4 | Very high | 96.7 | Very high | 100 Ų | 100 | 108.2 Ų | 108.2 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -48.1 | 178.4 | -179.6 | 59.9 | 0 | 0 | 0 | 111.5 | R513 K514 Q515 R519 K520 L521 | R513-L517 VanDerWaalsContact O-CB 3.3Å; R513-L517 WeakPolarHBondContact O-CB 3.34Å; R513-L517 PolarHBondContact O-N 2.88Å; K514-L517 PolarHBondContact O-N 3.23Å; Q515-L517 VanDerWaalsContact C-N 3.34Å; Q515-L517 PolarHBondContact O-N 3.43Å; L517-R519 VanDerWaalsContact C-N 3.32Å; L517-R519 PolarHBondContact O-N 3.34Å; L517-K520 PolarHBondContact O-N 3.25Å; L517-L521 HydrophobicContact CD1-CD1 3.97Å; L517-L521 HydrophobicContact CD1-CG 4.04Å; L517-L521 HydrophobicContact CG-CD1 3.92Å; L517-L521 HydrophobicContact CG-CG 4.38Å; L517-L521 WeakPolarHBondContact O-CG 3.4Å; L517-L521 PolarHBondContact O-N 3.21Å |
| 518 | T | 97.6 | Very high | 96.5 | Very high | 92 Ų | 92 | 108.9 Ų | 108.9 | 56% | 0.564 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -56.2 | -46.2 | 175.9 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | K514 Q515 K520 L521 S522 | K514-T518 PolarHBondContact O-N 2.97Å; K514-T518 PolarHBondContact O-OG1 3.18Å; Q515-T518 PolarHBondContact O-N 2.98Å; T518-K520 VanDerWaalsContact C-N 3.33Å; T518-K520 PolarHBondContact O-N 3.36Å; T518-L521 PolarHBondContact O-N 2.95Å; T518-S522 PolarHBondContact O-N 2.94Å |
| 519 | R | 97.5 | Very high | 96.4 | Very high | 150 Ų | 150 | 104.8 Ų | 104.8 | 57% | 0.566 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64 | -33.5 | 175.6 | -171.4 | -178.6 | 66 | 80.8 | -6.4 | 113.2 | Q515 L517 S522 F523 | Q515-R519 WeakPolarHBondContact O-CB 3.37Å; Q515-R519 PolarHBondContact O-N 2.99Å; L517-R519 VanDerWaalsContact C-N 3.32Å; L517-R519 PolarHBondContact O-N 3.34Å; R519-S522 PolarHBondContact O-OG 2.87Å; R519-F523 VanDerWaalsContact O-CD2 3.31Å; R519-F523 WeakPolarHBondContact O-CD2 3.42Å |
| 520 | K | 98.1 | Very high | 96.4 | Very high | 141 Ų | 141 | 103.9 Ų | 103.9 | 61% | 0.613 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -73.1 | -35.1 | 174.9 | -78.6 | -176.5 | 174.4 | -174.1 | 0 | 112.2 | I516 L517 T518 | I516-K520 HydrophobicContact CG2-CD 4.33Å; I516-K520 WeakPolarHBondContact O-CG 3.31Å; I516-K520 PolarHBondContact O-N 2.93Å; L517-K520 PolarHBondContact O-N 3.25Å; T518-K520 VanDerWaalsContact C-N 3.33Å; T518-K520 PolarHBondContact O-N 3.36Å |
| 521 | L | 97 | Very high | 96.1 | Very high | 106 Ų | 106 | 101.4 Ų | 101.4 | 56% | 0.555 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -76.1 | -27.5 | 179.1 | -68.4 | 174.6 | 0 | 0 | 0 | 113 | L517 T518 F523 R524 | L517-L521 HydrophobicContact CD1-CD1 3.97Å; L517-L521 HydrophobicContact CD1-CG 4.04Å; L517-L521 HydrophobicContact CG-CD1 3.92Å; L517-L521 HydrophobicContact CG-CG 4.38Å; L517-L521 WeakPolarHBondContact O-CG 3.4Å; L517-L521 PolarHBondContact O-N 3.21Å; T518-L521 PolarHBondContact O-N 2.95Å; L521-F523 VanDerWaalsContact C-N 3.27Å; L521-F523 PolarHBondContact O-N 3.32Å; L521-R524 WeakPolarHBondContact O-CB 3.2Å; L521-R524 PolarHBondContact O-N 3.04Å |
| 522 | S | 96.5 | Very high | 95.9 | Very high | 86 Ų | 86 | 106.6 Ų | 106.6 | 60% | 0.601 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.2 | -27.1 | 173.6 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | T518 R519 | T518-S522 PolarHBondContact O-N 2.94Å; R519-S522 PolarHBondContact O-OG 2.87Å |
| 523 | F | 95.9 | Very high | 95.8 | Very high | 166 Ų | 166 | 109.9 Ų | 109.9 | 73% | 0.728 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 32.1 | 173 | -65 | -71.4 | 0 | 0 | 0 | 112.5 | R519 L521 P525 | R519-F523 VanDerWaalsContact O-CD2 3.31Å; R519-F523 WeakPolarHBondContact O-CD2 3.42Å; L521-F523 VanDerWaalsContact C-N 3.27Å; L521-F523 PolarHBondContact O-N 3.32Å; F523-P525 WeakPolarHBondContact O-CD 3.5Å |
| 524 | R | 96.8 | Very high | 95.6 | Very high | 187 Ų | 187 | 110.4 Ų | 110.4 | 71% | 0.706 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 119.8 | 175.9 | -178.5 | 179.5 | -178.3 | -161.4 | -0.3 | 109.9 | L521 | L521-R524 WeakPolarHBondContact O-CB 3.2Å; L521-R524 PolarHBondContact O-N 3.04Å |
| 525 | P | 95.6 | Very high | 95.4 | Very high | 51 Ų | 51 | 110.4 Ų | 110.4 | 33% | 0.331 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 150.5 | 177.5 | 28.2 | -35 | 0 | 0 | 0 | 111.4 | F523 E529 L530 | F523-P525 WeakPolarHBondContact O-CD 3.5Å; P525-E529 WeakPolarHBondContact CA-OE2 3.48Å; P525-E529 HydrophobicContact CB-CG 4.42Å; P525-E529 WeakPolarHBondContact CB-OE2 3.18Å; P525-L530 HydrophobicContact CB-CD2 4.16Å; P525-L530 HydrophobicContact CB-CG 4.23Å; P525-L530 HydrophobicContact CG-CD1 4.19Å; P525-L530 HydrophobicContact CG-CD2 3.84Å; P525-L530 HydrophobicContact CG-CG 4.14Å |
| 526 | T | 93.5 | Very high | 95.1 | Very high | 84 Ų | 84 | 105.5 Ų | 105.5 | 52% | 0.515 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 158.7 | 178.9 | 62.1 | 0 | 0 | 0 | 0 | 111.8 | E528 E529 L530 | T526-E528 VanDerWaalsContact C-N 3.26Å; T526-E528 PolarHBondContact O-N 3.19Å; T526-E529 WeakPolarHBondContact O-CB 3.46Å; T526-E529 PolarHBondContact O-N 3.27Å; T526-E529 VanDerWaalsContact O-N 3.11Å; T526-E529 WeakPolarHBondContact OG1-CB 3.37Å; T526-E529 PolarHBondContact OG1-N 3.45Å; T526-L530 WeakPolarHBondContact O-CG 3.22Å; T526-L530 PolarHBondContact O-N 2.85Å |
| 527 | V | 91.2 | Very high | 94.7 | Very high | 34 Ų | 34 | 109.6 Ų | 109.6 | 21% | 0.206 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -58 | -41.2 | 177 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | E529 L530 R531 Y541 | V527-E529 VanDerWaalsContact C-N 3.34Å; V527-E529 PolarHBondContact O-N 3.33Å; V527-L530 PolarHBondContact O-N 3.04Å; V527-R531 HydrophobicContact CG1-CG 4.42Å; V527-R531 WeakPolarHBondContact O-CG 3.46Å; V527-R531 PolarHBondContact O-N 3.06Å; V527-Y541 HydrophobicContact CG2-CD1 4.46Å |
| 528 | E | 91.4 | Very high | 94 | Very high | 96 Ų | 96 | 112.3 Ų | 112.3 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.2 | -26.8 | 177.1 | -66.5 | -50.1 | 135.5 | 0 | 0 | 114.4 | T526 R531 R532 | T526-E528 VanDerWaalsContact C-N 3.26Å; T526-E528 PolarHBondContact O-N 3.19Å; E528-R531 WeakPolarHBondContact OE1-CD 3.46Å; E528-R531 IonicContact OE1-CZ 2.66Å; E528-R531 IonicContact OE1-NE 2.7Å; E528-R531 IonicContact OE1-NH1 3.78Å; E528-R531 PolarHBondContact OE1-NH1 3.11Å; E528-R532 WeakPolarHBondContact O-CB 3.31Å; E528-R532 WeakPolarHBondContact O-CG 3.47Å; E528-R532 PolarHBondContact O-N 3.45Å; E528-R532 VanDerWaalsContact O-N 3.15Å; E528-R532 PolarHBondContact O-NE 3Å |
| 529 | E | 94.2 | Very high | 93.5 | Very high | 53 Ų | 53 | 113 Ų | 113 | 25% | 0.248 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -69.7 | -43.6 | 168.6 | -179 | 173.3 | -159.4 | 0 | 0 | 111.6 | P525 T526 V527 R532 R533 | P525-E529 WeakPolarHBondContact CA-OE2 3.48Å; P525-E529 HydrophobicContact CB-CG 4.42Å; P525-E529 WeakPolarHBondContact CB-OE2 3.18Å; T526-E529 WeakPolarHBondContact O-CB 3.46Å; T526-E529 PolarHBondContact O-N 3.27Å; T526-E529 VanDerWaalsContact O-N 3.11Å; T526-E529 WeakPolarHBondContact OG1-CB 3.37Å; T526-E529 PolarHBondContact OG1-N 3.45Å; V527-E529 VanDerWaalsContact C-N 3.34Å; V527-E529 PolarHBondContact O-N 3.33Å; E529-R532 PolarHBondContact O-N 3.38Å; E529-R533 WeakPolarHBondContact O-CB 3.45Å; E529-R533 VanDerWaalsContact O-CG 3.31Å; E529-R533 WeakPolarHBondContact O-CG 3.44Å; E529-R533 PolarHBondContact O-N 3.48Å; E529-R533 IonicContact OE1-CZ 2.81Å; E529-R533 IonicContact OE1-NE 3.52Å; E529-R533 PolarHBondContact OE1-NE 3.15Å; E529-R533 IonicContact OE1-NH2 2.68Å; E529-R533 PolarHBondContact OE1-NH2 3.32Å |
| 530 | L | 95.6 | Very high | 93 | Very high | 30 Ų | 30 | 109.1 Ų | 109.1 | 16% | 0.157 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -69 | -33.2 | 178.9 | -64.1 | 172.7 | 0 | 0 | 0 | 112.7 | P525 T526 V527 R533 K534 I535 I536 | P525-L530 HydrophobicContact CB-CD2 4.16Å; P525-L530 HydrophobicContact CB-CG 4.23Å; P525-L530 HydrophobicContact CG-CD1 4.19Å; P525-L530 HydrophobicContact CG-CD2 3.84Å; P525-L530 HydrophobicContact CG-CG 4.14Å; T526-L530 WeakPolarHBondContact O-CG 3.22Å; T526-L530 PolarHBondContact O-N 2.85Å; V527-L530 PolarHBondContact O-N 3.04Å; L530-R533 PolarHBondContact O-N 2.66Å; L530-K534 PolarHBondContact O-N 3.27Å; L530-I535 HydrophobicContact CD2-CB 4.4Å; L530-I535 HydrophobicContact CD2-CD1 3.84Å; L530-I535 HydrophobicContact CD2-CG2 4.46Å; L530-I535 PolarHBondContact O-N 3.49Å; L530-I536 HydrophobicContact CB-CB 4.31Å; L530-I536 HydrophobicContact CB-CD1 3.68Å; L530-I536 HydrophobicContact CB-CG1 4.22Å; L530-I536 HydrophobicContact CD1-CD1 3.49Å; L530-I536 VanDerWaalsContact CD1-CD1 3.49Å; L530-I536 HydrophobicContact CG-CD1 4.2Å |
| 531 | R | 91.8 | Very high | 92.4 | Very high | 93 Ų | 93 | 108 Ų | 108 | 35% | 0.351 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -48.7 | 169.3 | -76.2 | 173.5 | 172.9 | -179.8 | -2.7 | 111.3 | V527 E528 R533 K534 I536 Y541 | V527-R531 HydrophobicContact CG1-CG 4.42Å; V527-R531 WeakPolarHBondContact O-CG 3.46Å; V527-R531 PolarHBondContact O-N 3.06Å; E528-R531 WeakPolarHBondContact OE1-CD 3.46Å; E528-R531 IonicContact OE1-CZ 2.66Å; E528-R531 IonicContact OE1-NE 2.7Å; E528-R531 IonicContact OE1-NH1 3.78Å; E528-R531 PolarHBondContact OE1-NH1 3.11Å; R531-R533 VanDerWaalsContact C-N 3.31Å; R531-R533 PolarHBondContact O-N 3.46Å; R531-K534 WeakPolarHBondContact O-CA 3.38Å; R531-K534 PolarHBondContact O-N 2.88Å; R531-I536 HydrophobicContact CG-CG2 4.24Å; R531-Y541 PolarHBondContact NH2-O 3.16Å |
| 532 | R | 93.7 | Very high | 91.7 | Very high | 188 Ų | 188 | 108.4 Ų | 108.4 | 71% | 0.709 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.9 | -38 | 175 | -77.9 | 178.2 | -70.4 | 154.6 | -3.4 | 113 | E528 E529 K534 | E528-R532 WeakPolarHBondContact O-CB 3.31Å; E528-R532 WeakPolarHBondContact O-CG 3.47Å; E528-R532 PolarHBondContact O-N 3.45Å; E528-R532 VanDerWaalsContact O-N 3.15Å; E528-R532 PolarHBondContact O-NE 3Å; E529-R532 PolarHBondContact O-N 3.38Å; R532-K534 PolarHBondContact O-N 3.03Å |
| 533 | R | 95.7 | Very high | 90.9 | Very high | 158 Ų | 158 | 111.5 Ų | 111.5 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -1 | 173.9 | -66.1 | 175.1 | -175.4 | -143.5 | 5.3 | 113.8 | E529 L530 R531 I535 | E529-R533 WeakPolarHBondContact O-CB 3.45Å; E529-R533 VanDerWaalsContact O-CG 3.31Å; E529-R533 WeakPolarHBondContact O-CG 3.44Å; E529-R533 PolarHBondContact O-N 3.48Å; E529-R533 IonicContact OE1-CZ 2.81Å; E529-R533 IonicContact OE1-NE 3.52Å; E529-R533 PolarHBondContact OE1-NE 3.15Å; E529-R533 IonicContact OE1-NH2 2.68Å; E529-R533 PolarHBondContact OE1-NH2 3.32Å; L530-R533 PolarHBondContact O-N 2.66Å; R531-R533 VanDerWaalsContact C-N 3.31Å; R531-R533 PolarHBondContact O-N 3.46Å; R533-I535 HydrophobicContact CB-CD1 3.8Å; R533-I535 HydrophobicContact CB-CG1 3.95Å; R533-I535 PolarHBondContact O-N 2.79Å |
| 534 | K | 92.9 | Very high | 90.2 | Very high | 190 Ų | 190 | 110.3 Ų | 110.3 | 83% | 0.826 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 27.1 | -176.7 | -57.1 | -178.5 | -179.6 | 178.4 | 0 | 114.4 | L530 R531 R532 | L530-K534 PolarHBondContact O-N 3.27Å; R531-K534 WeakPolarHBondContact O-CA 3.38Å; R531-K534 PolarHBondContact O-N 2.88Å; R532-K534 PolarHBondContact O-N 3.03Å |
| 535 | I | 93.8 | Very high | 89.4 | Confident | 111 Ų | 111 | 106.1 Ų | 106.1 | 57% | 0.569 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -81.6 | -33.2 | 176.4 | -62.6 | 170.3 | 0 | 0 | 0 | 110.6 | L530 R533 | L530-I535 HydrophobicContact CD2-CB 4.4Å; L530-I535 HydrophobicContact CD2-CD1 3.84Å; L530-I535 HydrophobicContact CD2-CG2 4.46Å; L530-I535 PolarHBondContact O-N 3.49Å; R533-I535 HydrophobicContact CB-CD1 3.8Å; R533-I535 HydrophobicContact CB-CG1 3.95Å; R533-I535 PolarHBondContact O-N 2.79Å |
| 536 | I | 91.4 | Very high | 88.8 | Confident | 15 Ų | 15 | 113.1 Ų | 113.1 | 8% | 0.077 | 54% | 0.538 | C | S | . | . | S | Bend | trans | -117.8 | 131.9 | -179.3 | -79.2 | 168.6 | 0 | 0 | 0 | 108.6 | L530 R531 D540 Y541 | L530-I536 HydrophobicContact CB-CB 4.31Å; L530-I536 HydrophobicContact CB-CD1 3.68Å; L530-I536 HydrophobicContact CB-CG1 4.22Å; L530-I536 HydrophobicContact CD1-CD1 3.49Å; L530-I536 VanDerWaalsContact CD1-CD1 3.49Å; L530-I536 HydrophobicContact CG-CD1 4.2Å; R531-I536 HydrophobicContact CG-CG2 4.24Å; I536-D540 HydrophobicContact CG2-CB 4.31Å; I536-Y541 HydrophobicContact CB-CD2 4.38Å; I536-Y541 HydrophobicContact CD1-CD2 3.34Å; I536-Y541 HydrophobicContact CD1-CE1 4.48Å; I536-Y541 HydrophobicContact CD1-CE2 3.22Å; I536-Y541 HydrophobicContact CD1-CG 4.04Å; I536-Y541 HydrophobicContact CG1-CD2 3.7Å; I536-Y541 HydrophobicContact CG1-CE2 3.66Å; I536-Y541 HydrophobicContact CG2-CD2 3.76Å; I536-Y541 HydrophobicContact CG2-CG 4.36Å |
| 537 | R | 89.7 | Confident | 88.2 | Confident | 171 Ų | 171 | 112.7 Ų | 112.7 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | trans | -87.6 | 164.7 | 171.8 | -51.3 | 168 | -63.1 | 176.3 | 5.4 | 109.7 | N539 D540 | R537-N539 PolarHBondContact O-N 2.9Å; R537-D540 WeakPolarHBondContact CA-OD2 3.38Å; R537-D540 WeakPolarHBondContact CB-OD2 3.24Å; R537-D540 WeakPolarHBondContact CG-OD2 3.33Å; R537-D540 IonicContact CZ-OD1 3.25Å; R537-D540 IonicContact CZ-OD2 2.93Å; R537-D540 PolarHBondContact N-OD2 3.06Å; R537-D540 IonicContact NE-OD1 3.36Å; R537-D540 PolarHBondContact NE-OD1 2.78Å; R537-D540 IonicContact NE-OD2 3.77Å; R537-D540 PolarHBondContact NE-OD2 3.17Å; R537-D540 IonicContact NH2-OD1 3.73Å; R537-D540 PolarHBondContact NH2-OD1 3.39Å; R537-D540 IonicContact NH2-OD2 3.39Å; R537-D540 PolarHBondContact O-N 3.36Å | ||
| 538 | F | 83.8 | Confident | 87.8 | Confident | 157 Ų | 157 | 118 Ų | 118 | 69% | 0.689 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -25.1 | -177.3 | 76.3 | -84.9 | 0 | 0 | 0 | 114.6 | ||
| 539 | N | 86.7 | Confident | 87.3 | Confident | 106 Ų | 106 | 118.7 Ų | 118.7 | 57% | 0.567 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -15 | 179.2 | -70.1 | -39.1 | 0 | 0 | 0 | 115.1 | R537 | R537-N539 PolarHBondContact O-N 2.9Š|
| 540 | D | 88.6 | Confident | 86.7 | Confident | 68 Ų | 68 | 123.4 Ų | 123.4 | 36% | 0.364 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.2 | -24 | -168.8 | -56.1 | -39.6 | 0 | 0 | 0 | 112.5 | I536 R537 | I536-D540 HydrophobicContact CG2-CB 4.31Å; R537-D540 WeakPolarHBondContact CA-OD2 3.38Å; R537-D540 WeakPolarHBondContact CB-OD2 3.24Å; R537-D540 WeakPolarHBondContact CG-OD2 3.33Å; R537-D540 IonicContact CZ-OD1 3.25Å; R537-D540 IonicContact CZ-OD2 2.93Å; R537-D540 PolarHBondContact N-OD2 3.06Å; R537-D540 IonicContact NE-OD1 3.36Å; R537-D540 PolarHBondContact NE-OD1 2.78Å; R537-D540 IonicContact NE-OD2 3.77Å; R537-D540 PolarHBondContact NE-OD2 3.17Å; R537-D540 IonicContact NH2-OD1 3.73Å; R537-D540 PolarHBondContact NH2-OD1 3.39Å; R537-D540 IonicContact NH2-OD2 3.39Å; R537-D540 PolarHBondContact O-N 3.36Å |
| 541 | Y | 85 | Confident | 86.1 | Confident | 118 Ų | 118 | 127 Ų | 127 | 46% | 0.463 | 63% | 0.629 | S | S | . | * | trans | -132.2 | 115 | 175.8 | -78.7 | -106.9 | 0 | 0 | 0 | 109.5 | V527 R531 I536 | V527-Y541 HydrophobicContact CG2-CD1 4.46Å; R531-Y541 PolarHBondContact NH2-O 3.16Å; I536-Y541 HydrophobicContact CB-CD2 4.38Å; I536-Y541 HydrophobicContact CD1-CD2 3.34Å; I536-Y541 HydrophobicContact CD1-CE1 4.48Å; I536-Y541 HydrophobicContact CD1-CE2 3.22Å; I536-Y541 HydrophobicContact CD1-CG 4.04Å; I536-Y541 HydrophobicContact CG1-CD2 3.7Å; I536-Y541 HydrophobicContact CG1-CE2 3.66Å; I536-Y541 HydrophobicContact CG2-CD2 3.76Å; I536-Y541 HydrophobicContact CG2-CG 4.36Å | ||
| 542 | V | 81.2 | Confident | 85.7 | Confident | 114 Ų | 114 | 131.1 Ų | 131.1 | 69% | 0.691 | 64% | 0.644 | S | S | * | * | trans | -116.3 | 124.3 | 176.2 | -179.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 543 | E | 81.7 | Confident | 85.2 | Confident | 152 Ų | 152 | 132.6 Ų | 132.6 | 71% | 0.71 | 65% | 0.65 | S | S | * | * | trans | -81.6 | 127.7 | 173 | -66 | 178.1 | 173.1 | 0 | 0 | 108.7 | S545 | E543-S545 PolarHBondContact O-N 2.84Š| ||
| 544 | V | 80.3 | Confident | 84.5 | Confident | 140 Ų | 140 | 127.3 Ų | 127.3 | 85% | 0.848 | 64% | 0.64 | S | S | * | * | trans | -95.9 | 90.4 | 177.2 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 545 | S | 79.6 | Confident | 83.9 | Confident | 99 Ų | 99 | 124 Ų | 124 | 69% | 0.692 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 145.1 | 166.5 | -55.2 | 0 | 0 | 0 | 0 | 110 | E543 A547 | E543-S545 PolarHBondContact O-N 2.84Å; S545-A547 PolarHBondContact O-N 3.19Å |
| 546 | E | 83.8 | Confident | 83.6 | Confident | 199 Ų | 199 | 122.2 Ų | 122.2 | 93% | 0.93 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 125.5 | 168.9 | -65 | -176.1 | 179.3 | 0 | 0 | 108.9 | ||
| 547 | A | 79.9 | Confident | 83.2 | Confident | 75 Ų | 75 | 125.2 Ų | 125.2 | 62% | 0.62 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 140.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | S545 A549 | S545-A547 PolarHBondContact O-N 3.19Å; A547-A549 PolarHBondContact O-N 3.44Å |
| 548 | D | 84.3 | Confident | 82.9 | Confident | 144 Ų | 144 | 121.4 Ų | 121.4 | 77% | 0.77 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 128.8 | 178.4 | -66.8 | -36.9 | 0 | 0 | 0 | 111.5 | Y550 | D548-Y550 VanDerWaalsContact O-CD1 3.24Å; D548-Y550 WeakPolarHBondContact O-CD1 3.29Å; D548-Y550 PolarHBondContact O-N 3.05Å |
| 549 | A | 79.1 | Confident | 83 | Confident | 112 Ų | 112 | 118.1 Ų | 118.1 | 93% | 0.926 | 62% | 0.618 | S | S | * | * | trans | -78.7 | 66.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | A547 | A547-A549 PolarHBondContact O-N 3.44Š| ||
| 550 | Y | 82.2 | Confident | 83 | Confident | 152 Ų | 152 | 122.6 Ų | 122.6 | 60% | 0.596 | 63% | 0.627 | S | S | * | * | trans | -81.8 | 146.5 | 170.2 | 69.3 | -88.5 | 0 | 0 | 0 | 111.3 | D548 R552 | D548-Y550 VanDerWaalsContact O-CD1 3.24Å; D548-Y550 WeakPolarHBondContact O-CD1 3.29Å; D548-Y550 PolarHBondContact O-N 3.05Å; Y550-R552 HydrophobicContact CD2-CG 4.24Å; Y550-R552 HydrophobicContact CE2-CG 3.81Å; Y550-R552 PolarHBondContact O-N 3.3Å | ||
| 551 | D | 82.4 | Confident | 83.1 | Confident | 105 Ų | 105 | 121.4 Ų | 121.4 | 56% | 0.561 | 62% | 0.621 | S | S | * | * | trans | -70.2 | 105 | 179.5 | -179.8 | 18.9 | 0 | 0 | 0 | 111.5 | R553 A554 | D551-R553 PolarHBondContact O-N 2.84Å; D551-R553 WeakPolarHBondContact OD1-CA 3.26Å; D551-R553 VanDerWaalsContact OD1-CB 3.29Å; D551-R553 WeakPolarHBondContact OD1-CB 3.42Å; D551-R553 PolarHBondContact OD1-N 3.29Å; D551-A554 HydrophobicContact CB-CB 4.1Å; D551-A554 VanDerWaalsContact O-CB 3.26Å; D551-A554 WeakPolarHBondContact O-CB 3.42Å; D551-A554 PolarHBondContact O-N 3.05Å; D551-A554 PolarHBondContact OD1-N 2.93Å; D551-A554 WeakPolarHBondContact OD2-CA 3.26Å; D551-A554 PolarHBondContact OD2-N 3.31Å | ||
| 552 | R | 83.4 | Confident | 83.4 | Confident | 180 Ų | 180 | 119.2 Ų | 119.2 | 68% | 0.679 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -13.5 | 175.6 | -60.3 | -179.1 | -178.4 | 174.2 | 2.2 | 113.2 | Y550 | Y550-R552 HydrophobicContact CD2-CG 4.24Å; Y550-R552 HydrophobicContact CE2-CG 3.81Å; Y550-R552 PolarHBondContact O-N 3.3Å |
| 553 | R | 84.1 | Confident | 83.9 | Confident | 218 Ų | 218 | 120.8 Ų | 120.8 | 82% | 0.823 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -19.5 | 176.9 | -59.4 | -177.1 | 67.8 | -160.9 | -0.5 | 112.5 | D551 K556 | D551-R553 PolarHBondContact O-N 2.84Å; D551-R553 WeakPolarHBondContact OD1-CA 3.26Å; D551-R553 VanDerWaalsContact OD1-CB 3.29Å; D551-R553 WeakPolarHBondContact OD1-CB 3.42Å; D551-R553 PolarHBondContact OD1-N 3.29Å; R553-K556 PolarHBondContact O-NZ 3.16Å |
| 554 | A | 80.3 | Confident | 84.4 | Confident | 47 Ų | 47 | 121.5 Ų | 121.5 | 39% | 0.388 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -45.8 | 155.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D551 K556 | D551-A554 HydrophobicContact CB-CB 4.1Å; D551-A554 VanDerWaalsContact O-CB 3.26Å; D551-A554 WeakPolarHBondContact O-CB 3.42Å; D551-A554 PolarHBondContact O-N 3.05Å; D551-A554 PolarHBondContact OD1-N 2.93Å; D551-A554 WeakPolarHBondContact OD2-CA 3.26Å; D551-A554 PolarHBondContact OD2-N 3.31Å; A554-K556 WeakPolarHBondContact O-CD 3.1Å; A554-K556 VanDerWaalsContact O-CE 3.25Å; A554-K556 WeakPolarHBondContact O-CE 3.35Å; A554-K556 PolarHBondContact O-NZ 3.49Å |
| 555 | D | 81.3 | Confident | 85 | Confident | 122 Ų | 122 | 117.9 Ų | 117.9 | 65% | 0.652 | 60% | 0.596 | S | S | * | * | trans | -68.2 | 141.7 | -174.8 | -149.7 | 6.7 | 0 | 0 | 0 | 111.2 | P557 | D555-P557 WeakPolarHBondContact O-CD 3.25Š| ||
| 556 | K | 86.4 | Confident | 85.7 | Confident | 73 Ų | 73 | 117 Ų | 117 | 32% | 0.317 | 58% | 0.579 | S | S | . | * | trans | -99.5 | 95.3 | -166.5 | -71.3 | 83.8 | -174 | 153.7 | 0 | 108.4 | R553 A554 W558 T559 | R553-K556 PolarHBondContact O-NZ 3.16Å; A554-K556 WeakPolarHBondContact O-CD 3.1Å; A554-K556 VanDerWaalsContact O-CE 3.25Å; A554-K556 WeakPolarHBondContact O-CE 3.35Å; A554-K556 PolarHBondContact O-NZ 3.49Å; K556-W558 HydrophobicContact CB-CD2 3.95Å; K556-W558 HydrophobicContact CB-CE3 4.38Å; K556-W558 HydrophobicContact CB-CG 4.49Å; K556-W558 HydrophobicContact CB-CH2 4.2Å; K556-W558 HydrophobicContact CB-CZ2 3.74Å; K556-W558 HydrophobicContact CB-CZ3 4.5Å; K556-W558 HydrophobicContact CG-CH2 3.83Å; K556-W558 HydrophobicContact CG-CZ2 3.47Å; K556-W558 VanDerWaalsContact CG-CZ2 3.47Å; K556-W558 PolarHBondContact O-N 3.48Å; K556-T559 HydrophobicContact CB-CG2 3.91Å; K556-T559 WeakPolarHBondContact O-CB 3.46Å; K556-T559 PolarHBondContact O-N 3.05Å; K556-T559 PolarHBondContact O-OG1 3.42Å | ||
| 557 | P | 82.8 | Confident | 86.1 | Confident | 78 Ų | 78 | 108.9 Ų | 108.9 | 51% | 0.506 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -56.3 | -22.9 | -169.6 | 19 | -33.8 | 0 | 0 | 0 | 114.8 | D555 T559 R560 | D555-P557 WeakPolarHBondContact O-CD 3.25Å; P557-T559 PolarHBondContact O-N 2.84Å; P557-R560 PolarHBondContact O-N 2.95Å |
| 558 | W | 84.4 | Confident | 86.7 | Confident | 91 Ų | 91 | 108.1 Ų | 108.1 | 35% | 0.345 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -65.4 | -18.3 | 173.3 | 65.5 | 74.8 | 0 | 0 | 0 | 114.8 | H25 M26 K556 R560 L561 | H25-W558 AromaticContact CE1-CE3 3.42Å; H25-W558 VanDerWaalsContact CE1-CE3 3.42Å; H25-W558 AromaticContact CE1-CZ3 3.26Å; H25-W558 WeakPolarHBondContact CE1-CZ3 3.43Å; H25-W558 AromaticContact ND1-CE3 3.76Å; H25-W558 AromaticContact ND1-CZ3 3.76Å; H25-W558 AromaticContact NE2-CZ3 3.63Å; M26-W558 HydrophobicContact CG-CB 4.08Å; M26-W558 HydrophobicContact CG-CD2 4.29Å; M26-W558 HydrophobicContact CG-CE3 3.86Å; M26-W558 HydrophobicContact CG-CG 4.43Å; M26-W558 HydrophobicContact SD-CB 3.66Å; M26-W558 HydrophobicContact SD-CG 4.49Å; K556-W558 HydrophobicContact CB-CD2 3.95Å; K556-W558 HydrophobicContact CB-CE3 4.38Å; K556-W558 HydrophobicContact CB-CG 4.49Å; K556-W558 HydrophobicContact CB-CH2 4.2Å; K556-W558 HydrophobicContact CB-CZ2 3.74Å; K556-W558 HydrophobicContact CB-CZ3 4.5Å; K556-W558 HydrophobicContact CG-CH2 3.83Å; K556-W558 HydrophobicContact CG-CZ2 3.47Å; K556-W558 VanDerWaalsContact CG-CZ2 3.47Å; K556-W558 PolarHBondContact O-N 3.48Å; W558-R560 VanDerWaalsContact C-N 3.31Å; W558-L561 VanDerWaalsContact O-CB 3.26Å; W558-L561 WeakPolarHBondContact O-CB 3.46Å |
| 559 | T | 85.6 | Confident | 87.1 | Confident | 87 Ų | 87 | 103.2 Ų | 103.2 | 53% | 0.534 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -72.4 | -26.9 | 174.4 | 61.9 | 0 | 0 | 0 | 0 | 112.1 | K556 P557 L561 | K556-T559 HydrophobicContact CB-CG2 3.91Å; K556-T559 WeakPolarHBondContact O-CB 3.46Å; K556-T559 PolarHBondContact O-N 3.05Å; K556-T559 PolarHBondContact O-OG1 3.42Å; P557-T559 PolarHBondContact O-N 2.84Å; T559-L561 VanDerWaalsContact C-N 3.34Å |
| 560 | R | 87.6 | Confident | 87.9 | Confident | 201 Ų | 201 | 102.6 Ų | 102.6 | 76% | 0.758 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -92.4 | 8 | -179.4 | -60.7 | -179.5 | 63.9 | 129.1 | 0.9 | 113.6 | P557 W558 T562 | P557-R560 PolarHBondContact O-N 2.95Å; W558-R560 VanDerWaalsContact C-N 3.31Å; R560-T562 PolarHBondContact O-N 2.89Å |
| 561 | L | 89.8 | Confident | 88.4 | Confident | 42 Ų | 42 | 101.8 Ų | 101.8 | 22% | 0.22 | 48% | 0.478 | C | S | . | . | trans | -71.3 | 118.8 | -174.7 | -164 | 71.5 | 0 | 0 | 0 | 111 | W558 T559 D565 K566 I569 | W558-L561 VanDerWaalsContact O-CB 3.26Å; W558-L561 WeakPolarHBondContact O-CB 3.46Å; T559-L561 VanDerWaalsContact C-N 3.34Å; L561-D565 HydrophobicContact CD1-CB 3.48Å; L561-D565 VanDerWaalsContact CD1-CB 3.48Å; L561-D565 HydrophobicContact CG-CB 3.79Å; L561-K566 HydrophobicContact CB-CG 4.49Å; L561-K566 HydrophobicContact CD2-CG 3.67Å; L561-K566 HydrophobicContact CG-CG 3.95Å; L561-K566 WeakPolarHBondContact O-CE 3.33Å; L561-K566 PolarHBondContact O-NZ 3.45Å; L561-I569 HydrophobicContact CD1-CD1 3.84Å; L561-I569 HydrophobicContact CD2-CD1 3.78Å; L561-I569 HydrophobicContact CG-CD1 4.3Å | ||
| 562 | T | 91.2 | Very high | 89 | Confident | 72 Ų | 72 | 99.7 Ų | 99.7 | 44% | 0.442 | 47% | 0.465 | S | S | . | . | trans | -69.5 | 166.2 | -175.5 | 71.6 | 0 | 0 | 0 | 0 | 111.7 | R560 R564 D565 K566 | R560-T562 PolarHBondContact O-N 2.89Å; T562-R564 PolarHBondContact O-N 3.23Å; T562-R564 PolarHBondContact OG1-N 3.31Å; T562-D565 VanDerWaalsContact CB-OD2 3.27Å; T562-D565 WeakPolarHBondContact CB-OD2 3.5Å; T562-D565 WeakPolarHBondContact CG2-OD2 3.21Å; T562-D565 PolarHBondContact N-OD2 3.4Å; T562-D565 PolarHBondContact O-N 2.85Å; T562-D565 PolarHBondContact OG1-N 2.85Å; T562-D565 VanDerWaalsContact OG1-N 3.1Å; T562-D565 PolarHBondContact OG1-OD2 3.29Å; T562-K566 WeakPolarHBondContact O-CB 3.3Å; T562-K566 VanDerWaalsContact O-CG 3.3Å; T562-K566 WeakPolarHBondContact O-CG 3.26Å; T562-K566 PolarHBondContact O-N 3.15Å | ||
| 563 | L | 91.6 | Very high | 89.5 | Confident | 148 Ų | 148 | 93 Ų | 93 | 78% | 0.775 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.2 | -33.1 | 173.5 | -70.5 | 173.7 | 0 | 0 | 0 | 111.9 | A567 | L563-A567 PolarHBondContact O-N 3.28Å; L563-A567 VanDerWaalsContact O-N 3.12Å |
| 564 | R | 91.6 | Very high | 90 | Very high | 167 Ų | 167 | 84.1 Ų | 84.1 | 63% | 0.63 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.7 | -54.2 | 174.3 | -176.9 | 69.3 | -139.3 | -160.4 | 5.9 | 110.8 | T562 K566 A567 D568 | T562-R564 PolarHBondContact O-N 3.23Å; T562-R564 PolarHBondContact OG1-N 3.31Å; R564-K566 VanDerWaalsContact C-N 3.25Å; R564-K566 PolarHBondContact O-N 2.92Å; R564-A567 WeakPolarHBondContact O-CA 3.31Å; R564-A567 WeakPolarHBondContact O-CB 3.37Å; R564-A567 PolarHBondContact O-N 3.03Å; R564-D568 WeakPolarHBondContact CG-OD2 3.15Å; R564-D568 IonicContact CZ-OD1 3.44Å; R564-D568 IonicContact CZ-OD2 2.8Å; R564-D568 IonicContact NE-OD1 3.59Å; R564-D568 PolarHBondContact NE-OD1 3.17Å; R564-D568 IonicContact NE-OD2 3.51Å; R564-D568 PolarHBondContact NE-OD2 3.05Å; R564-D568 IonicContact NH2-OD1 3.49Å; R564-D568 PolarHBondContact NH2-OD1 3.35Å; R564-D568 IonicContact NH2-OD2 3.14Å; R564-D568 PolarHBondContact O-N 3.4Å |
| 565 | D | 94.1 | Very high | 90.6 | Very high | 64 Ų | 64 | 87.3 Ų | 87.3 | 34% | 0.342 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -57.6 | -39.8 | 178.5 | -52.9 | -46.1 | 0 | 0 | 0 | 111.7 | L561 T562 A567 D568 I569 | L561-D565 HydrophobicContact CD1-CB 3.48Å; L561-D565 VanDerWaalsContact CD1-CB 3.48Å; L561-D565 HydrophobicContact CG-CB 3.79Å; T562-D565 VanDerWaalsContact CB-OD2 3.27Å; T562-D565 WeakPolarHBondContact CB-OD2 3.5Å; T562-D565 WeakPolarHBondContact CG2-OD2 3.21Å; T562-D565 PolarHBondContact N-OD2 3.4Å; T562-D565 PolarHBondContact O-N 2.85Å; T562-D565 PolarHBondContact OG1-N 2.85Å; T562-D565 VanDerWaalsContact OG1-N 3.1Å; T562-D565 PolarHBondContact OG1-OD2 3.29Å; D565-A567 VanDerWaalsContact C-N 3.33Å; D565-A567 PolarHBondContact O-N 3.35Å; D565-D568 PolarHBondContact O-N 2.9Å; D565-I569 WeakPolarHBondContact O-CB 3.35Å; D565-I569 WeakPolarHBondContact O-CD1 3.43Å; D565-I569 VanDerWaalsContact O-CG1 3.29Å; D565-I569 WeakPolarHBondContact O-CG1 3.48Å; D565-I569 PolarHBondContact O-N 2.81Å |
| 566 | K | 93.5 | Very high | 91.2 | Very high | 80 Ų | 80 | 85.5 Ų | 85.5 | 35% | 0.348 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.3 | -37.6 | 175.6 | -76.5 | 165.7 | 178.2 | 152.3 | 0 | 112.4 | L561 T562 R564 R570 | L561-K566 HydrophobicContact CB-CG 4.49Å; L561-K566 HydrophobicContact CD2-CG 3.67Å; L561-K566 HydrophobicContact CG-CG 3.95Å; L561-K566 WeakPolarHBondContact O-CE 3.33Å; L561-K566 PolarHBondContact O-NZ 3.45Å; T562-K566 WeakPolarHBondContact O-CB 3.3Å; T562-K566 VanDerWaalsContact O-CG 3.3Å; T562-K566 WeakPolarHBondContact O-CG 3.26Å; T562-K566 PolarHBondContact O-N 3.15Å; R564-K566 VanDerWaalsContact C-N 3.25Å; R564-K566 PolarHBondContact O-N 2.92Å; K566-R570 VanDerWaalsContact O-CG 3.3Å; K566-R570 WeakPolarHBondContact O-CG 3.21Å; K566-R570 PolarHBondContact O-N 3.49Å |
| 567 | A | 92.5 | Very high | 91.5 | Very high | 28 Ų | 28 | 84 Ų | 84 | 23% | 0.231 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -72.4 | -43.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L563 R564 D565 I569 R570 K571 | L563-A567 PolarHBondContact O-N 3.28Å; L563-A567 VanDerWaalsContact O-N 3.12Å; R564-A567 WeakPolarHBondContact O-CA 3.31Å; R564-A567 WeakPolarHBondContact O-CB 3.37Å; R564-A567 PolarHBondContact O-N 3.03Å; D565-A567 VanDerWaalsContact C-N 3.33Å; D565-A567 PolarHBondContact O-N 3.35Å; A567-I569 VanDerWaalsContact C-N 3.35Å; A567-I569 PolarHBondContact O-N 2.96Å; A567-R570 WeakPolarHBondContact O-CB 3.42Å; A567-R570 PolarHBondContact O-N 3.12Å; A567-R570 VanDerWaalsContact O-N 3.12Å; A567-K571 PolarHBondContact O-N 3.48Å |
| 568 | D | 93.6 | Very high | 91.7 | Very high | 59 Ų | 59 | 82.2 Ų | 82.2 | 32% | 0.316 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 178.4 | -68 | -43.2 | 0 | 0 | 0 | 111.9 | R564 D565 K571 E572 | R564-D568 WeakPolarHBondContact CG-OD2 3.15Å; R564-D568 IonicContact CZ-OD1 3.44Å; R564-D568 IonicContact CZ-OD2 2.8Å; R564-D568 IonicContact NE-OD1 3.59Å; R564-D568 PolarHBondContact NE-OD1 3.17Å; R564-D568 IonicContact NE-OD2 3.51Å; R564-D568 PolarHBondContact NE-OD2 3.05Å; R564-D568 IonicContact NH2-OD1 3.49Å; R564-D568 PolarHBondContact NH2-OD1 3.35Å; R564-D568 IonicContact NH2-OD2 3.14Å; R564-D568 PolarHBondContact O-N 3.4Å; D565-D568 PolarHBondContact O-N 2.9Å; D568-K571 WeakPolarHBondContact O-CB 3.45Å; D568-K571 PolarHBondContact O-N 3.34Å; D568-E572 WeakPolarHBondContact O-CB 3.36Å; D568-E572 PolarHBondContact O-N 3.4Å |
| 569 | I | 92.5 | Very high | 91.9 | Very high | 42 Ų | 42 | 83.5 Ų | 83.5 | 22% | 0.215 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 171.6 | -73 | 161.9 | 0 | 0 | 0 | 111.8 | L561 D565 A567 L573 | L561-I569 HydrophobicContact CD1-CD1 3.84Å; L561-I569 HydrophobicContact CD2-CD1 3.78Å; L561-I569 HydrophobicContact CG-CD1 4.3Å; D565-I569 WeakPolarHBondContact O-CB 3.35Å; D565-I569 WeakPolarHBondContact O-CD1 3.43Å; D565-I569 VanDerWaalsContact O-CG1 3.29Å; D565-I569 WeakPolarHBondContact O-CG1 3.48Å; D565-I569 PolarHBondContact O-N 2.81Å; A567-I569 VanDerWaalsContact C-N 3.35Å; A567-I569 PolarHBondContact O-N 2.96Å; I569-L573 HydrophobicContact CG2-CD1 3.84Å; I569-L573 HydrophobicContact CG2-CG 4.32Å; I569-L573 WeakPolarHBondContact O-CB 3.44Å; I569-L573 WeakPolarHBondContact O-CG 3.45Å; I569-L573 PolarHBondContact O-N 2.89Å |
| 570 | R | 94.4 | Very high | 92.1 | Very high | 99 Ų | 99 | 85 Ų | 85 | 37% | 0.374 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 173.9 | -72.9 | 172.3 | -159.5 | 150.6 | 3.3 | 111.8 | K566 A567 L573 N574 H594 K595 | K566-R570 VanDerWaalsContact O-CG 3.3Å; K566-R570 WeakPolarHBondContact O-CG 3.21Å; K566-R570 PolarHBondContact O-N 3.49Å; A567-R570 WeakPolarHBondContact O-CB 3.42Å; A567-R570 PolarHBondContact O-N 3.12Å; A567-R570 VanDerWaalsContact O-N 3.12Å; R570-L573 PolarHBondContact O-N 3.21Å; R570-N574 WeakPolarHBondContact O-CB 3.3Å; R570-N574 VanDerWaalsContact O-CG 3.3Å; R570-N574 PolarHBondContact O-N 3.44Å; R570-H594 HydrophobicContact CB-CB 4Å; R570-H594 HydrophobicContact CG-CB 3.91Å; R570-K595 WeakPolarHBondContact CD-O 3.33Å |
| 571 | K | 94.2 | Very high | 92.2 | Very high | 135 Ų | 135 | 78.2 Ų | 78.2 | 59% | 0.587 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60.2 | -53.1 | 176.3 | -174.6 | -171.3 | 171.9 | -170.4 | 0 | 110.2 | A567 D568 L573 N574 E575 | A567-K571 PolarHBondContact O-N 3.48Å; D568-K571 WeakPolarHBondContact O-CB 3.45Å; D568-K571 PolarHBondContact O-N 3.34Å; K571-L573 VanDerWaalsContact C-N 3.35Å; K571-L573 PolarHBondContact O-N 3.12Å; K571-N574 PolarHBondContact O-N 2.88Å; K571-N574 VanDerWaalsContact O-N 3.12Å; K571-E575 WeakPolarHBondContact O-CB 3.49Å; K571-E575 PolarHBondContact O-N 3.46Å |
| 572 | E | 94.2 | Very high | 92 | Very high | 60 Ų | 60 | 84 Ų | 84 | 28% | 0.28 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 178.7 | 176.2 | 158.7 | -152.7 | 0 | 0 | 112.5 | K19 D568 N574 E575 F576 | K19-E572 VanDerWaalsContact CD-OE1 3.23Å; K19-E572 WeakPolarHBondContact CD-OE1 3.45Å; K19-E572 WeakPolarHBondContact CE-OE1 3.29Å; K19-E572 IonicContact NZ-OE1 2.71Å; K19-E572 PolarHBondContact NZ-OE1 2.92Å; K19-E572 IonicContact NZ-OE2 2.76Å; K19-E572 PolarHBondContact NZ-OE2 3.47Å; K19-E572 VanDerWaalsContact NZ-OE2 3.14Å; D568-E572 WeakPolarHBondContact O-CB 3.36Å; D568-E572 PolarHBondContact O-N 3.4Å; E572-N574 PolarHBondContact O-N 2.97Å; E572-E575 PolarHBondContact O-N 3.25Å; E572-F576 WeakPolarHBondContact O-CB 3.43Å; E572-F576 PolarHBondContact O-N 3.38Å |
| 573 | L | 94.6 | Very high | 91.7 | Very high | 41 Ų | 41 | 82.2 Ų | 82.2 | 22% | 0.215 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.3 | -36.4 | 175 | -73.7 | 171.7 | 0 | 0 | 0 | 113 | I569 R570 K571 K577 | I569-L573 HydrophobicContact CG2-CD1 3.84Å; I569-L573 HydrophobicContact CG2-CG 4.32Å; I569-L573 WeakPolarHBondContact O-CB 3.44Å; I569-L573 WeakPolarHBondContact O-CG 3.45Å; I569-L573 PolarHBondContact O-N 2.89Å; R570-L573 PolarHBondContact O-N 3.21Å; K571-L573 VanDerWaalsContact C-N 3.35Å; K571-L573 PolarHBondContact O-N 3.12Å; L573-K577 WeakPolarHBondContact O-CB 3.27Å; L573-K577 WeakPolarHBondContact O-CD 3.4Å; L573-K577 WeakPolarHBondContact O-CG 3.33Å; L573-K577 PolarHBondContact O-N 2.88Å |
| 574 | N | 94 | Very high | 91.5 | Very high | 30 Ų | 30 | 82.7 Ų | 82.7 | 16% | 0.16 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -70.1 | -39.9 | 175.6 | -77.2 | -10.3 | 0 | 0 | 0 | 111.7 | R570 K571 E572 K577 A578 Y593 H594 | R570-N574 WeakPolarHBondContact O-CB 3.3Å; R570-N574 VanDerWaalsContact O-CG 3.3Å; R570-N574 PolarHBondContact O-N 3.44Å; K571-N574 PolarHBondContact O-N 2.88Å; K571-N574 VanDerWaalsContact O-N 3.12Å; E572-N574 PolarHBondContact O-N 2.97Å; N574-K577 PolarHBondContact O-N 2.63Å; N574-A578 WeakPolarHBondContact O-CB 3.23Å; N574-A578 PolarHBondContact O-N 3.42Å; N574-Y593 HydrophobicContact CB-CD1 3.99Å; N574-H594 PolarHBondContact ND2-O 3.1Å; N574-H594 PolarHBondContact OD1-CD2 3.14Å; N574-H594 PolarHBondContact OD1-N 3.12Å |
| 575 | E | 93.6 | Very high | 91.3 | Very high | 114 Ų | 114 | 79.1 Ų | 79.1 | 53% | 0.533 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 178.8 | -165.4 | 157.2 | -160.9 | 0 | 0 | 111.1 | K571 E572 A578 T579 | K571-E575 WeakPolarHBondContact O-CB 3.49Å; K571-E575 PolarHBondContact O-N 3.46Å; E572-E575 PolarHBondContact O-N 3.25Å; E575-A578 PolarHBondContact O-N 3.05Å; E575-T579 WeakPolarHBondContact O-CB 3.21Å; E575-T579 PolarHBondContact O-N 2.99Å; E575-T579 VanDerWaalsContact O-N 3.09Å; E575-T579 PolarHBondContact O-OG1 2.97Å |
| 576 | F | 93.4 | Very high | 91 | Very high | 84 Ų | 84 | 84.3 Ų | 84.3 | 37% | 0.368 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.3 | -50.4 | 169.6 | -179.5 | -94.6 | 0 | 0 | 0 | 112.2 | E572 A578 T579 E580 M581 | E572-F576 WeakPolarHBondContact O-CB 3.43Å; E572-F576 PolarHBondContact O-N 3.38Å; F576-A578 PolarHBondContact O-N 3.06Å; F576-T579 PolarHBondContact O-N 2.95Å; F576-E580 HydrophobicContact CD2-CB 3.73Å; F576-E580 HydrophobicContact CD2-CG 3.97Å; F576-E580 WeakPolarHBondContact CD2-OE2 3.35Å; F576-E580 HydrophobicContact CE2-CB 3.87Å; F576-E580 VanDerWaalsContact CE2-CD 3.44Å; F576-E580 HydrophobicContact CE2-CG 3.67Å; F576-E580 HydrophobicContact CG-CB 4.47Å; F576-E580 PolarHBondContact O-N 3.36Å; F576-M581 HydrophobicContact CD1-CB 4.07Å; F576-M581 HydrophobicContact CE1-CB 3.81Å; F576-M581 HydrophobicContact CE1-CG 4.2Å; F576-M581 HydrophobicContact CZ-CB 4.47Å; F576-M581 PolarHBondContact O-N 2.91Å |
| 577 | K | 91.5 | Very high | 90.8 | Very high | 42 Ų | 42 | 83 Ų | 83 | 18% | 0.183 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.7 | -29.6 | 178 | -77.9 | 170.9 | 176.5 | -180 | 0 | 114 | L573 N574 M581 T591 R592 Y593 H594 | L573-K577 WeakPolarHBondContact O-CB 3.27Å; L573-K577 WeakPolarHBondContact O-CD 3.4Å; L573-K577 WeakPolarHBondContact O-CG 3.33Å; L573-K577 PolarHBondContact O-N 2.88Å; N574-K577 PolarHBondContact O-N 2.63Å; K577-M581 HydrophobicContact CB-CE 4.02Å; K577-M581 HydrophobicContact CG-CE 3.92Å; K577-M581 HydrophobicContact CG-SD 4.06Å; K577-T591 HydrophobicContact CB-CG2 4.05Å; K577-T591 HydrophobicContact CD-CG2 4.42Å; K577-T591 HydrophobicContact CG-CG2 4.34Å; K577-R592 PolarHBondContact NZ-O 3.37Å; K577-Y593 HydrophobicContact CB-CD1 4.27Å; K577-Y593 HydrophobicContact CB-CE1 3.77Å; K577-H594 PolarHBondContact NZ-CD2 3.41Å; K577-H594 PolarHBondContact NZ-NE2 3.36Å |
| 578 | A | 88 | Confident | 90.7 | Very high | 40 Ų | 40 | 87.9 Ų | 87.9 | 33% | 0.331 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -83.4 | -33.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N574 E575 F576 R588 Y593 | N574-A578 WeakPolarHBondContact O-CB 3.23Å; N574-A578 PolarHBondContact O-N 3.42Å; E575-A578 PolarHBondContact O-N 3.05Å; F576-A578 PolarHBondContact O-N 3.06Å; A578-R588 PolarHBondContact O-NH2 2.92Å; A578-Y593 HydrophobicContact CB-CE1 4.2Å |
| 579 | T | 88.8 | Confident | 90.5 | Very high | 118 Ų | 118 | 92.1 Ų | 92.1 | 72% | 0.724 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -118.2 | -43.1 | -161.6 | -38 | 0 | 0 | 0 | 0 | 114.3 | E575 F576 | E575-T579 WeakPolarHBondContact O-CB 3.21Å; E575-T579 PolarHBondContact O-N 2.99Å; E575-T579 VanDerWaalsContact O-N 3.09Å; E575-T579 PolarHBondContact O-OG1 2.97Å; F576-T579 PolarHBondContact O-N 2.95Å |
| 580 | E | 90.2 | Very high | 90.3 | Very high | 118 Ų | 118 | 96.7 Ų | 96.7 | 55% | 0.551 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | -27.7 | -169.3 | -171.9 | 178.9 | 168.5 | 0 | 0 | 112.5 | Q20 F576 D582 | Q20-E580 PolarHBondContact NE2-OE1 2.93Å; F576-E580 HydrophobicContact CD2-CB 3.73Å; F576-E580 HydrophobicContact CD2-CG 3.97Å; F576-E580 WeakPolarHBondContact CD2-OE2 3.35Å; F576-E580 HydrophobicContact CE2-CB 3.87Å; F576-E580 VanDerWaalsContact CE2-CD 3.44Å; F576-E580 HydrophobicContact CE2-CG 3.67Å; F576-E580 HydrophobicContact CG-CB 4.47Å; F576-E580 PolarHBondContact O-N 3.36Å; E580-D582 PolarHBondContact O-N 3.49Å; E580-D582 VanDerWaalsContact O-N 3.15Å |
| 581 | M | 88.6 | Confident | 90.1 | Very high | 59 Ų | 59 | 93.1 Ų | 93.1 | 29% | 0.291 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -71.1 | 108.7 | 176.8 | -170.4 | -180 | 68 | 0 | 0 | 110.5 | F576 K577 V583 T591 | F576-M581 HydrophobicContact CD1-CB 4.07Å; F576-M581 HydrophobicContact CE1-CB 3.81Å; F576-M581 HydrophobicContact CE1-CG 4.2Å; F576-M581 HydrophobicContact CZ-CB 4.47Å; F576-M581 PolarHBondContact O-N 2.91Å; K577-M581 HydrophobicContact CB-CE 4.02Å; K577-M581 HydrophobicContact CG-CE 3.92Å; K577-M581 HydrophobicContact CG-SD 4.06Å; M581-V583 HydrophobicContact CE-CG2 3.41Å; M581-V583 VanDerWaalsContact CE-CG2 3.41Å; M581-V583 HydrophobicContact CG-CG2 3.97Å; M581-V583 PolarHBondContact O-N 3.01Å; M581-V583 HydrophobicContact SD-CG2 4.32Å; M581-T591 HydrophobicContact CE-CG2 3.45Å; M581-T591 VanDerWaalsContact CE-CG2 3.45Å |
| 582 | D | 85.8 | Confident | 90 | Very high | 164 Ų | 164 | 97.1 Ų | 97.1 | 88% | 0.877 | 49% | 0.485 | S | S | * | . | trans | -71.9 | 115.4 | 179 | -158.6 | 6.5 | 0 | 0 | 0 | 110.5 | E580 | E580-D582 PolarHBondContact O-N 3.49Å; E580-D582 VanDerWaalsContact O-N 3.15Å | ||
| 583 | V | 86.3 | Confident | 89.9 | Confident | 34 Ų | 34 | 99 Ų | 99 | 21% | 0.206 | 49% | 0.49 | C | S | . | . | trans | -134 | 126 | -175.3 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | M581 A585 | M581-V583 HydrophobicContact CE-CG2 3.41Å; M581-V583 VanDerWaalsContact CE-CG2 3.41Å; M581-V583 HydrophobicContact CG-CG2 3.97Å; M581-V583 PolarHBondContact O-N 3.01Å; M581-V583 HydrophobicContact SD-CG2 4.32Å; V583-A585 PolarHBondContact O-N 3.24Å | ||
| 584 | H | 86.7 | Confident | 89.8 | Confident | 158 Ų | 158 | 100.6 Ų | 100.6 | 73% | 0.731 | 50% | 0.496 | S | S | * | . | trans | -50.8 | 135.3 | 174.9 | -62.5 | -52.3 | 0 | 0 | 0 | 111.5 | E586 S587 R588 | H584-E586 VanDerWaalsContact C-N 3.28Å; H584-E586 PolarHBondContact O-N 3.35Å; H584-E586 VanDerWaalsContact O-N 3.17Å; H584-S587 CarbonylContact O-C 3.43Å; H584-S587 WeakPolarHBondContact O-CA 3.38Å; H584-S587 PolarHBondContact O-N 3.3Å; H584-R588 PolarHBondContact O-N 3.09Å; H584-R588 VanDerWaalsContact O-N 3.16Å | ||
| 585 | A | 87.3 | Confident | 89.5 | Confident | 92 Ų | 92 | 107.8 Ų | 107.8 | 76% | 0.76 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -51.4 | -45.2 | -173 | 0 | 0 | 0 | 0 | 0 | 113 | V583 S587 R588 | V583-A585 PolarHBondContact O-N 3.24Å; A585-S587 VanDerWaalsContact C-N 3.25Å; A585-S587 PolarHBondContact O-N 2.82Å; A585-R588 WeakPolarHBondContact O-CB 3.39Å; A585-R588 PolarHBondContact O-N 2.7Å |
| 586 | E | 88.3 | Confident | 88.7 | Confident | 174 Ų | 174 | 110 Ų | 110 | 81% | 0.813 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -60.8 | -32.7 | 177.3 | -60.2 | -178.7 | 172.4 | 0 | 0 | 112.9 | H584 H589 | H584-E586 VanDerWaalsContact C-N 3.28Å; H584-E586 PolarHBondContact O-N 3.35Å; H584-E586 VanDerWaalsContact O-N 3.17Å; E586-H589 PolarHBondContact O-CE1 2.71Å; E586-H589 PolarHBondContact O-ND1 2.98Å |
| 587 | S | 89.4 | Confident | 88.5 | Confident | 52 Ų | 52 | 111.3 Ų | 111.3 | 36% | 0.364 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -91.6 | -5.8 | -177 | -68.5 | 0 | 0 | 0 | 0 | 114.2 | H584 A585 H589 H590 | H584-S587 CarbonylContact O-C 3.43Å; H584-S587 WeakPolarHBondContact O-CA 3.38Å; H584-S587 PolarHBondContact O-N 3.3Å; A585-S587 VanDerWaalsContact C-N 3.25Å; A585-S587 PolarHBondContact O-N 2.82Å; S587-H589 PolarHBondContact O-N 3.29Å; S587-H590 WeakPolarHBondContact O-CB 3.5Å; S587-H590 PolarHBondContact O-N 2.93Å |
| 588 | R | 89.1 | Confident | 88.3 | Confident | 130 Ų | 130 | 114.9 Ų | 114.9 | 49% | 0.491 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -55 | -32.5 | -174.5 | -165 | 174.8 | -177.4 | 93.6 | 3.8 | 113.1 | A578 H584 A585 H590 T591 | A578-R588 PolarHBondContact O-NH2 2.92Å; H584-R588 PolarHBondContact O-N 3.09Å; H584-R588 VanDerWaalsContact O-N 3.16Å; A585-R588 WeakPolarHBondContact O-CB 3.39Å; A585-R588 PolarHBondContact O-N 2.7Å; R588-H590 VanDerWaalsContact C-N 3.28Å; R588-H590 PolarHBondContact O-N 3.37Å; R588-T591 VanDerWaalsContact O-CB 3.31Å; R588-T591 WeakPolarHBondContact O-CB 3.44Å; R588-T591 PolarHBondContact O-N 2.9Å; R588-T591 PolarHBondContact O-OG1 2.91Å |
| 589 | H | 89.6 | Confident | 88.3 | Confident | 149 Ų | 149 | 119.1 Ų | 119.1 | 69% | 0.69 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -68 | -18.7 | 178.1 | 70.1 | -88.9 | 0 | 0 | 0 | 114.9 | E586 S587 T591 | E586-H589 PolarHBondContact O-CE1 2.71Å; E586-H589 PolarHBondContact O-ND1 2.98Å; S587-H589 PolarHBondContact O-N 3.29Å; H589-T591 VanDerWaalsContact C-N 3.27Å; H589-T591 PolarHBondContact O-N 2.93Å |
| 590 | H | 89.6 | Confident | 88.3 | Confident | 137 Ų | 137 | 119.1 Ų | 119.1 | 63% | 0.634 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -78.9 | -8.4 | 173.6 | -65.6 | 96.7 | 0 | 0 | 0 | 113.2 | S587 R588 R592 | S587-H590 WeakPolarHBondContact O-CB 3.5Å; S587-H590 PolarHBondContact O-N 2.93Å; R588-H590 VanDerWaalsContact C-N 3.28Å; R588-H590 PolarHBondContact O-N 3.37Å; H590-R592 PolarHBondContact O-N 2.8Å |
| 591 | T | 88.3 | Confident | 88.2 | Confident | 24 Ų | 24 | 119.2 Ų | 119.2 | 15% | 0.147 | 59% | 0.587 | C | S | . | * | trans | -72.8 | 100.8 | -177.5 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | K577 M581 R588 H589 Y593 | K577-T591 HydrophobicContact CB-CG2 4.05Å; K577-T591 HydrophobicContact CD-CG2 4.42Å; K577-T591 HydrophobicContact CG-CG2 4.34Å; M581-T591 HydrophobicContact CE-CG2 3.45Å; M581-T591 VanDerWaalsContact CE-CG2 3.45Å; R588-T591 VanDerWaalsContact O-CB 3.31Å; R588-T591 WeakPolarHBondContact O-CB 3.44Å; R588-T591 PolarHBondContact O-N 2.9Å; R588-T591 PolarHBondContact O-OG1 2.91Å; H589-T591 VanDerWaalsContact C-N 3.27Å; H589-T591 PolarHBondContact O-N 2.93Å; T591-Y593 HydrophobicContact CG2-CE2 4.12Å; T591-Y593 WeakPolarHBondContact O-CD2 3.48Å; T591-Y593 WeakPolarHBondContact O-CE2 3.44Å; T591-Y593 PolarHBondContact O-N 3.44Å | ||
| 592 | R | 92.1 | Very high | 88.2 | Confident | 219 Ų | 219 | 123.2 Ų | 123.2 | 83% | 0.826 | 61% | 0.607 | S | S | * | * | trans | -80.4 | 114.3 | 178.6 | -170.1 | 179.2 | -179.5 | -161.2 | 2.8 | 112.1 | K577 H590 | K577-R592 PolarHBondContact NZ-O 3.37Å; H590-R592 PolarHBondContact O-N 2.8Å | ||
| 593 | Y | 92.2 | Very high | 88.3 | Confident | 101 Ų | 101 | 120.3 Ų | 120.3 | 40% | 0.396 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -78.6 | 152.2 | 171.6 | -64.3 | -84.2 | 0 | 0 | 0 | 112.1 | N574 K577 A578 T591 | N574-Y593 HydrophobicContact CB-CD1 3.99Å; K577-Y593 HydrophobicContact CB-CD1 4.27Å; K577-Y593 HydrophobicContact CB-CE1 3.77Å; A578-Y593 HydrophobicContact CB-CE1 4.2Å; T591-Y593 HydrophobicContact CG2-CE2 4.12Å; T591-Y593 WeakPolarHBondContact O-CD2 3.48Å; T591-Y593 WeakPolarHBondContact O-CE2 3.44Å; T591-Y593 PolarHBondContact O-N 3.44Å |
| 594 | H | 92.4 | Very high | 88.5 | Confident | 73 Ų | 73 | 126.9 Ų | 126.9 | 34% | 0.338 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -75.3 | 146.3 | 168.9 | -59.5 | -79.9 | 0 | 0 | 0 | 109.5 | R570 N574 K577 | R570-H594 HydrophobicContact CB-CB 4Å; R570-H594 HydrophobicContact CG-CB 3.91Å; N574-H594 PolarHBondContact ND2-O 3.1Å; N574-H594 PolarHBondContact OD1-CD2 3.14Å; N574-H594 PolarHBondContact OD1-N 3.12Å; K577-H594 PolarHBondContact NZ-CD2 3.41Å; K577-H594 PolarHBondContact NZ-NE2 3.36Å |
| 595 | K | 88.9 | Confident | 88.6 | Confident | 181 Ų | 181 | 124.3 Ų | 124.3 | 79% | 0.787 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 139 | 169.7 | -65.9 | -171.1 | 176.7 | -172.6 | 0 | 109.3 | R570 | R570-K595 WeakPolarHBondContact CD-O 3.33Š|
| 596 | P | 76.5 | Confident | 88.8 | Confident | 160 Ų | 160 | 127.3 Ų | 127.3 | 100% | 1.039 | 59% | 0.593 | S | S | * | * | trans | -49.5 | 0 | 170.3 | -26.5 | 35.5 | 0 | 0 | 0 | 112.4 |
Retrieved 596 of 596 residues in 172.8 ms
(Link to these results)