| 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 | 45.3 | Very low | 61.5 | Low | 230 Ų | 230 | 173.3 Ų | 173.3 | 100% | 1.133 | 83% | 0.828 | S | S | * | * | 0 | 96 | 0 | -83.1 | -172.6 | 175.9 | 0 | 0 | 107.2 | I3 | M1-I3 PolarHBondContact O-N 2.63Å; M1-I3 VanDerWaalsContact O-N 3.15Å | |||
| 2 | D | 49.5 | Very low | 62.1 | Low | 155 Ų | 155 | 172.6 Ų | 172.6 | 83% | 0.829 | 83% | 0.833 | S | S | * | * | trans | -81.8 | 96.5 | -173.2 | -61.6 | -78.5 | 0 | 0 | 0 | 111.1 | S4 | D2-S4 PolarHBondContact O-N 3.39Š| ||
| 3 | I | 55.2 | Low | 62.6 | Low | 165 Ų | 165 | 170.5 Ų | 170.5 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | trans | -73.5 | 69.3 | 174.9 | 13.1 | 171.7 | 0 | 0 | 0 | 110.5 | M1 R5 | M1-I3 PolarHBondContact O-N 2.63Å; M1-I3 VanDerWaalsContact O-N 3.15Å; I3-R5 VanDerWaalsContact C-N 3.31Å; I3-R5 PolarHBondContact O-N 2.69Å | ||
| 4 | S | 58.7 | Low | 62.5 | Low | 96 Ų | 96 | 169.6 Ų | 169.6 | 67% | 0.671 | 83% | 0.827 | S | S | * | * | trans | -65.9 | 87.3 | 169.6 | 44.5 | 0 | 0 | 0 | 0 | 109.9 | D2 K6 | D2-S4 PolarHBondContact O-N 3.39Å; S4-K6 PolarHBondContact O-N 3.46Å | ||
| 5 | R | 64.9 | Low | 63 | Low | 236 Ų | 236 | 165.5 Ų | 165.5 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | trans | -61.6 | 98.5 | 172.3 | -77.3 | -170.2 | 179.2 | -148.6 | 0.5 | 109.4 | I3 F7 | I3-R5 VanDerWaalsContact C-N 3.31Å; I3-R5 PolarHBondContact O-N 2.69Å; R5-F7 PolarHBondContact O-N 3.15Å | ||
| 6 | K | 69.2 | Low | 63.1 | Low | 158 Ų | 158 | 164.1 Ų | 164.1 | 69% | 0.687 | 81% | 0.813 | S | S | * | * | trans | -63.6 | 107.2 | 172.2 | -64.8 | -177 | -178.8 | -179.3 | 0 | 108.7 | S4 Y8 | S4-K6 PolarHBondContact O-N 3.46Å; K6-Y8 HydrophobicContact CB-CE2 3.97Å; K6-Y8 WeakPolarHBondContact O-CD2 3.41Å; K6-Y8 PolarHBondContact O-N 3.22Å | ||
| 7 | F | 64.2 | Low | 63.1 | Low | 200 Ų | 200 | 166.5 Ų | 166.5 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | -76 | 110.5 | 174.5 | -134.7 | -88.9 | 0 | 0 | 0 | 108 | R5 | R5-F7 PolarHBondContact O-N 3.15Š| ||
| 8 | Y | 68.2 | Low | 63.1 | Low | 184 Ų | 184 | 164.7 Ų | 164.7 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 121.8 | 172.4 | -65.9 | -82.1 | 0 | 0 | 0 | 108.5 | K6 T10 | K6-Y8 HydrophobicContact CB-CE2 3.97Å; K6-Y8 WeakPolarHBondContact O-CD2 3.41Å; K6-Y8 PolarHBondContact O-N 3.22Å; Y8-T10 PolarHBondContact O-N 3.22Å |
| 9 | P | 68.8 | Low | 63 | Low | 121 Ų | 121 | 165.8 Ų | 165.8 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 130.8 | 173.5 | -21.2 | 32.8 | 0 | 0 | 0 | 110.1 | ||
| 10 | T | 69.1 | Low | 63.1 | Low | 131 Ų | 131 | 164.3 Ų | 164.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 137.6 | 172.4 | 42 | 0 | 0 | 0 | 0 | 109.9 | Y8 N12 | Y8-T10 PolarHBondContact O-N 3.22Å; T10-N12 PolarHBondContact O-N 2.94Å |
| 11 | R | 63.4 | Low | 63.3 | Low | 230 Ų | 230 | 161 Ų | 161 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 134.1 | 179 | -68.3 | -179.1 | 177 | 175 | -1.4 | 110.1 | I13 | R11-I13 PolarHBondContact O-N 3.2Š|
| 12 | N | 69.1 | Low | 64.1 | Low | 165 Ų | 165 | 155.5 Ų | 155.5 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 117.8 | 170.2 | -69.2 | -33.1 | 0 | 0 | 0 | 109 | T10 | T10-N12 PolarHBondContact O-N 2.94Š|
| 13 | I | 68.4 | Low | 64.6 | Low | 145 Ų | 145 | 153.8 Ų | 153.8 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | trans | -90.7 | 111.9 | 173.2 | -55.9 | 172.1 | 0 | 0 | 0 | 106.2 | R11 V15 | R11-I13 PolarHBondContact O-N 3.2Å; I13-V15 PolarHBondContact O-N 2.61Å | ||
| 14 | N | 61.7 | Low | 64.8 | Low | 158 Ų | 158 | 154.9 Ų | 154.9 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | -69.3 | 114.8 | 167.7 | -107.4 | -7.3 | 0 | 0 | 0 | 107.6 | ||||
| 15 | V | 68.9 | Low | 64.9 | Low | 108 Ų | 108 | 157.3 Ų | 157.3 | 66% | 0.655 | 76% | 0.757 | S | S | * | * | trans | -94.3 | 112.6 | 174.1 | -153.5 | 0 | 0 | 0 | 0 | 106.4 | I13 I18 | I13-V15 PolarHBondContact O-N 2.61Å; V15-I18 HydrophobicContact CG1-CD1 4.31Å; V15-I18 HydrophobicContact CG1-CG1 4.48Å | ||
| 16 | D | 65 | Low | 64.6 | Low | 144 Ų | 144 | 151.9 Ų | 151.9 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -59.1 | 146.4 | 178.2 | -75.7 | -43.5 | 0 | 0 | 0 | 111 | I18 | D16-I18 PolarHBondContact O-N 3.45Š| ||
| 17 | F | 63.2 | Low | 64.4 | Low | 205 Ų | 205 | 152.2 Ų | 152.2 | 90% | 0.899 | 75% | 0.751 | S | S | * | * | trans | -36.5 | 99.2 | -169.2 | -71.7 | -95.3 | 0 | 0 | 0 | 114.4 | Q19 | F17-Q19 PolarHBondContact O-N 3.32Š| ||
| 18 | I | 63.8 | Low | 64.1 | Low | 134 Ų | 134 | 151.5 Ų | 151.5 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | trans | -66.9 | 101.2 | 166.8 | -58.7 | 176.6 | 0 | 0 | 0 | 107 | V15 D16 I20 | V15-I18 HydrophobicContact CG1-CD1 4.31Å; V15-I18 HydrophobicContact CG1-CG1 4.48Å; D16-I18 PolarHBondContact O-N 3.45Å; I18-I20 VanDerWaalsContact C-N 3.29Å; I18-I20 HydrophobicContact CG2-CG1 4.14Å; I18-I20 PolarHBondContact O-N 3.47Å | ||
| 19 | Q | 60.6 | Low | 64 | Low | 186 Ų | 186 | 149.9 Ų | 149.9 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | trans | -74.9 | 84.7 | 177 | -165 | 169.6 | 23.6 | 0 | 0 | 109.3 | F17 P21 | F17-Q19 PolarHBondContact O-N 3.32Å; Q19-P21 WeakPolarHBondContact O-CD 3.47Å | ||
| 20 | I | 65.9 | Low | 64.1 | Low | 134 Ų | 134 | 152.9 Ų | 152.9 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | trans | -63 | 122.3 | 172.3 | -56.5 | 176.2 | 0 | 0 | 0 | 107.5 | I18 D22 | I18-I20 VanDerWaalsContact C-N 3.29Å; I18-I20 HydrophobicContact CG2-CG1 4.14Å; I18-I20 PolarHBondContact O-N 3.47Å; I20-D22 PolarHBondContact O-N 3.41Å | ||
| 21 | P | 67.2 | Low | 64.5 | Low | 97 Ų | 97 | 150.7 Ų | 150.7 | 63% | 0.63 | 73% | 0.734 | S | S | * | * | trans | -59.8 | 136.8 | 175.6 | -23.1 | 34.2 | 0 | 0 | 0 | 110.7 | Q19 L23 | Q19-P21 WeakPolarHBondContact O-CD 3.47Å; P21-L23 VanDerWaalsContact C-N 3.31Å; P21-L23 PolarHBondContact O-N 3.35Å | ||
| 22 | D | 61.2 | Low | 65.4 | Low | 114 Ų | 114 | 145.6 Ų | 145.6 | 61% | 0.61 | 72% | 0.718 | S | S | * | * | trans | -67.6 | 88.9 | 175.9 | -174.1 | 8.4 | 0 | 0 | 0 | 109.4 | I20 R24 | I20-D22 PolarHBondContact O-N 3.41Å; D22-R24 PolarHBondContact O-N 3.31Å; D22-R24 IonicContact OD1-NE 2.69Å; D22-R24 IonicContact OD2-CZ 3.52Å; D22-R24 IonicContact OD2-NE 3.69Å; D22-R24 PolarHBondContact OD2-NE 3.27Å; D22-R24 IonicContact OD2-NH2 3.95Å; D22-R24 PolarHBondContact OD2-NH2 2.77Å | ||
| 23 | L | 59.9 | Low | 66.1 | Low | 119 Ų | 119 | 144.3 Ų | 144.3 | 62% | 0.623 | 71% | 0.707 | S | S | * | * | trans | -71.4 | 75.1 | 177.4 | -69.6 | 173.9 | 0 | 0 | 0 | 109.6 | P21 F25 | P21-L23 VanDerWaalsContact C-N 3.31Å; P21-L23 PolarHBondContact O-N 3.35Å; L23-F25 HydrophobicContact CB-CD2 4.07Å; L23-F25 HydrophobicContact CB-CE2 3.56Å; L23-F25 HydrophobicContact CB-CZ 3.97Å; L23-F25 HydrophobicContact CD1-CE2 4.08Å; L23-F25 HydrophobicContact CD1-CZ 4Å; L23-F25 HydrophobicContact CG-CE2 4.4Å; L23-F25 HydrophobicContact CG-CZ 4.42Å; L23-F25 WeakPolarHBondContact O-CD2 3.27Å; L23-F25 PolarHBondContact O-N 2.85Å | ||
| 24 | R | 59.6 | Low | 66.6 | Low | 187 Ų | 187 | 141.2 Ų | 141.2 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | trans | -68.8 | 83.6 | 171.6 | -63.9 | -169.7 | -175.1 | 171.8 | 7.2 | 109.7 | D22 T26 | D22-R24 PolarHBondContact O-N 3.31Å; D22-R24 IonicContact OD1-NE 2.69Å; D22-R24 IonicContact OD2-CZ 3.52Å; D22-R24 IonicContact OD2-NE 3.69Å; D22-R24 PolarHBondContact OD2-NE 3.27Å; D22-R24 IonicContact OD2-NH2 3.95Å; D22-R24 PolarHBondContact OD2-NH2 2.77Å; R24-T26 HydrophobicContact CB-CG2 4.38Å; R24-T26 PolarHBondContact O-N 2.88Å | ||
| 25 | F | 60.1 | Low | 67.8 | Low | 148 Ų | 148 | 138.8 Ų | 138.8 | 65% | 0.649 | 69% | 0.686 | S | S | * | * | trans | -68.6 | 66 | 167.8 | -63 | -74.2 | 0 | 0 | 0 | 110.4 | L23 K27 F28 | L23-F25 HydrophobicContact CB-CD2 4.07Å; L23-F25 HydrophobicContact CB-CE2 3.56Å; L23-F25 HydrophobicContact CB-CZ 3.97Å; L23-F25 HydrophobicContact CD1-CE2 4.08Å; L23-F25 HydrophobicContact CD1-CZ 4Å; L23-F25 HydrophobicContact CG-CE2 4.4Å; L23-F25 HydrophobicContact CG-CZ 4.42Å; L23-F25 WeakPolarHBondContact O-CD2 3.27Å; L23-F25 PolarHBondContact O-N 2.85Å; F25-K27 PolarHBondContact O-N 2.95Å; F25-F28 HydrophobicContact CD1-CD2 4.31Å; F25-F28 HydrophobicContact CD1-CE2 4.09Å | ||
| 26 | T | 59.5 | Low | 68.7 | Low | 122 Ų | 122 | 137.3 Ų | 137.3 | 75% | 0.748 | 68% | 0.678 | S | S | * | * | trans | -69.7 | 99 | 174.5 | 49.6 | 0 | 0 | 0 | 0 | 109.5 | R24 | R24-T26 HydrophobicContact CB-CG2 4.38Å; R24-T26 PolarHBondContact O-N 2.88Å | ||
| 27 | K | 63.8 | Low | 69.8 | Low | 165 Ų | 165 | 138 Ų | 138 | 72% | 0.717 | 67% | 0.67 | S | S | * | * | trans | 57.7 | 78.8 | 169.3 | -101.6 | -168.1 | 165.3 | -139.7 | 0 | 115.2 | F25 E29 | F25-K27 PolarHBondContact O-N 2.95Å; K27-E29 IonicContact NZ-OE1 3.65Å; K27-E29 IonicContact NZ-OE2 2.67Å; K27-E29 PolarHBondContact NZ-OE2 2.96Å; K27-E29 PolarHBondContact O-N 2.96Å | ||
| 28 | F | 57.8 | Low | 70.8 | Confident | 184 Ų | 184 | 130.8 Ų | 130.8 | 81% | 0.807 | 65% | 0.648 | S | S | * | * | trans | -80.7 | 96 | 145.2 | -80.2 | -82.6 | 0 | 0 | 0 | 108.3 | F25 Y30 | F25-F28 HydrophobicContact CD1-CD2 4.31Å; F25-F28 HydrophobicContact CD1-CE2 4.09Å; F28-Y30 PolarHBondContact O-N 2.6Å | ||
| 29 | E | 67.9 | Low | 71.7 | Confident | 151 Ų | 151 | 132.1 Ų | 132.1 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | trans | -80.8 | 102.1 | 174 | -166.4 | 151.6 | -176 | 0 | 0 | 108.3 | K27 S31 | K27-E29 IonicContact NZ-OE1 3.65Å; K27-E29 IonicContact NZ-OE2 2.67Å; K27-E29 PolarHBondContact NZ-OE2 2.96Å; K27-E29 PolarHBondContact O-N 2.96Å; E29-S31 PolarHBondContact O-N 3.01Å | ||
| 30 | Y | 69.1 | Low | 72.9 | Confident | 184 Ų | 184 | 127.9 Ų | 127.9 | 72% | 0.722 | 63% | 0.625 | S | S | * | * | trans | -73.6 | 113.3 | -174.6 | -166.9 | -93.3 | 0 | 0 | 0 | 110.1 | F28 F32 | F28-Y30 PolarHBondContact O-N 2.6Å; Y30-F32 HydrophobicContact CD1-CD1 4.5Å; Y30-F32 HydrophobicContact CD1-CE1 4.2Å; Y30-F32 HydrophobicContact CD1-CE2 4.28Å; Y30-F32 HydrophobicContact CD1-CZ 4.09Å; Y30-F32 HydrophobicContact CE1-CE1 4.31Å | ||
| 31 | S | 78.5 | Confident | 73.7 | Confident | 84 Ų | 84 | 127.2 Ų | 127.2 | 59% | 0.587 | 62% | 0.619 | S | S | * | * | trans | -85.3 | 121.9 | -179.3 | 56.8 | 0 | 0 | 0 | 0 | 111.7 | E29 E33 | E29-S31 PolarHBondContact O-N 3.01Å; S31-E33 PolarHBondContact O-N 3.34Å | ||
| 32 | F | 82.3 | Confident | 74.4 | Confident | 123 Ų | 123 | 128.5 Ų | 128.5 | 54% | 0.539 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | 1.8 | 179.7 | -71.2 | -85.6 | 0 | 0 | 0 | 114.3 | Y30 A34 E35 T36 | Y30-F32 HydrophobicContact CD1-CD1 4.5Å; Y30-F32 HydrophobicContact CD1-CE1 4.2Å; Y30-F32 HydrophobicContact CD1-CE2 4.28Å; Y30-F32 HydrophobicContact CD1-CZ 4.09Å; Y30-F32 HydrophobicContact CE1-CE1 4.31Å; F32-A34 PolarHBondContact O-N 2.79Å; F32-A34 VanDerWaalsContact O-N 3.08Å; F32-E35 WeakPolarHBondContact CD1-OE2 3.14Å; F32-E35 WeakPolarHBondContact O-CA 3.24Å; F32-E35 WeakPolarHBondContact O-CB 3.22Å; F32-E35 PolarHBondContact O-N 3.35Å; F32-T36 PolarHBondContact O-N 2.87Å; F32-T36 PolarHBondContact O-OG1 2.89Å; F32-T36 VanDerWaalsContact O-OG1 3.13Å |
| 33 | E | 83.6 | Confident | 75.3 | Confident | 139 Ų | 139 | 127 Ų | 127 | 65% | 0.65 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -52.3 | -37.2 | -175.1 | -65.1 | -171.3 | 149.1 | 0 | 0 | 114 | S31 R37 | S31-E33 PolarHBondContact O-N 3.34Å; E33-R37 VanDerWaalsContact O-CB 3.3Å; E33-R37 WeakPolarHBondContact O-CB 3.33Å; E33-R37 PolarHBondContact O-N 2.9Å |
| 34 | A | 79.8 | Confident | 76.2 | Confident | 79 Ų | 79 | 128 Ų | 128 | 65% | 0.653 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.7 | -38.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F32 A38 | F32-A34 PolarHBondContact O-N 2.79Å; F32-A34 VanDerWaalsContact O-N 3.08Å; A34-A38 WeakPolarHBondContact O-CB 3.45Å; A34-A38 PolarHBondContact O-N 2.98Å; A34-A38 VanDerWaalsContact O-N 3.12Å |
| 35 | E | 87 | Confident | 76.8 | Confident | 107 Ų | 107 | 126.8 Ų | 126.8 | 50% | 0.5 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -72.1 | -44.3 | 177.4 | -172.8 | 176.5 | 162.6 | 0 | 0 | 111 | F32 R37 A38 R39 | F32-E35 WeakPolarHBondContact CD1-OE2 3.14Å; F32-E35 WeakPolarHBondContact O-CA 3.24Å; F32-E35 WeakPolarHBondContact O-CB 3.22Å; F32-E35 PolarHBondContact O-N 3.35Å; E35-R37 VanDerWaalsContact C-N 3.34Å; E35-R37 PolarHBondContact O-N 2.84Å; E35-A38 PolarHBondContact O-N 3.48Å; E35-R39 PolarHBondContact O-N 3.32Å |
| 36 | T | 87.9 | Confident | 77.2 | Confident | 77 Ų | 77 | 124.5 Ų | 124.5 | 47% | 0.472 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -58.6 | -45.1 | 175.3 | -48 | 0 | 0 | 0 | 0 | 111.3 | F32 A38 R39 E40 | F32-T36 PolarHBondContact O-N 2.87Å; F32-T36 PolarHBondContact O-OG1 2.89Å; F32-T36 VanDerWaalsContact O-OG1 3.13Å; T36-A38 PolarHBondContact O-N 2.7Å; T36-R39 PolarHBondContact O-N 2.92Å; T36-E40 PolarHBondContact O-N 3.14Å |
| 37 | R | 86.1 | Confident | 77.5 | Confident | 159 Ų | 159 | 125.2 Ų | 125.2 | 60% | 0.6 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.8 | -40.3 | 177.2 | -171.5 | -178.5 | -59 | 166.9 | 6.3 | 112.6 | E33 E35 R39 Q41 | E33-R37 VanDerWaalsContact O-CB 3.3Å; E33-R37 WeakPolarHBondContact O-CB 3.33Å; E33-R37 PolarHBondContact O-N 2.9Å; E35-R37 VanDerWaalsContact C-N 3.34Å; E35-R37 PolarHBondContact O-N 2.84Å; R37-R39 VanDerWaalsContact C-N 3.34Å; R37-Q41 WeakPolarHBondContact O-CG 3.42Å; R37-Q41 PolarHBondContact O-N 3.45Å; R37-Q41 VanDerWaalsContact O-N 3.11Å |
| 38 | A | 84.4 | Confident | 77.1 | Confident | 54 Ų | 54 | 122 Ų | 122 | 45% | 0.446 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.3 | -38.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A34 E35 T36 Q41 F42 | A34-A38 WeakPolarHBondContact O-CB 3.45Å; A34-A38 PolarHBondContact O-N 2.98Å; A34-A38 VanDerWaalsContact O-N 3.12Å; E35-A38 PolarHBondContact O-N 3.48Å; T36-A38 PolarHBondContact O-N 2.7Å; A38-Q41 PolarHBondContact O-N 2.88Å; A38-F42 PolarHBondContact O-N 3.27Å; A38-F42 VanDerWaalsContact O-N 3.08Å |
| 39 | R | 83.3 | Confident | 76.8 | Confident | 162 Ų | 162 | 120.4 Ų | 120.4 | 61% | 0.611 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.3 | -49.5 | 175.7 | -156.8 | 68.4 | 133.5 | -141.4 | -8.5 | 111.6 | E35 T36 R37 Q41 F42 D43 | E35-R39 PolarHBondContact O-N 3.32Å; T36-R39 PolarHBondContact O-N 2.92Å; R37-R39 VanDerWaalsContact C-N 3.34Å; R39-Q41 VanDerWaalsContact C-N 3.27Å; R39-Q41 PolarHBondContact O-N 2.93Å; R39-F42 WeakPolarHBondContact O-CB 3.39Å; R39-F42 PolarHBondContact O-N 2.99Å; R39-F42 VanDerWaalsContact O-N 3.1Å; R39-D43 VanDerWaalsContact O-CG 3.28Å; R39-D43 PolarHBondContact O-N 3.5Å |
| 40 | E | 85.4 | Confident | 75.9 | Confident | 97 Ų | 97 | 118.4 Ų | 118.4 | 45% | 0.453 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -57.5 | -37.5 | 175.6 | -78.9 | -170.3 | -152.1 | 0 | 0 | 113.5 | T36 K44 | T36-E40 PolarHBondContact O-N 3.14Å; E40-K44 VanDerWaalsContact O-CB 3.3Å; E40-K44 WeakPolarHBondContact O-CB 3.42Å; E40-K44 WeakPolarHBondContact O-CD 3.41Å; E40-K44 WeakPolarHBondContact O-CG 3.45Å; E40-K44 PolarHBondContact O-N 2.89Å; E40-K44 IonicContact OE2-NZ 2.64Å; E40-K44 PolarHBondContact OE2-NZ 2.94Å |
| 41 | Q | 82.7 | Confident | 74.8 | Confident | 120 Ų | 120 | 116.8 Ų | 116.8 | 56% | 0.561 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68 | -40.3 | 177.4 | -76.4 | 179.9 | -29.6 | 0 | 0 | 111.8 | R37 A38 R39 Q45 | R37-Q41 WeakPolarHBondContact O-CG 3.42Å; R37-Q41 PolarHBondContact O-N 3.45Å; R37-Q41 VanDerWaalsContact O-N 3.11Å; A38-Q41 PolarHBondContact O-N 2.88Å; R39-Q41 VanDerWaalsContact C-N 3.27Å; R39-Q41 PolarHBondContact O-N 2.93Å; Q41-Q45 WeakPolarHBondContact O-CG 3.5Å; Q41-Q45 PolarHBondContact O-N 3.43Å |
| 42 | F | 81.6 | Confident | 73 | Confident | 123 Ų | 123 | 119.7 Ų | 119.7 | 54% | 0.539 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.8 | -44.7 | 175.1 | -179.6 | -95.1 | 0 | 0 | 0 | 111.7 | A38 R39 Q45 N46 | A38-F42 PolarHBondContact O-N 3.27Å; A38-F42 VanDerWaalsContact O-N 3.08Å; R39-F42 WeakPolarHBondContact O-CB 3.39Å; R39-F42 PolarHBondContact O-N 2.99Å; R39-F42 VanDerWaalsContact O-N 3.1Å; F42-Q45 PolarHBondContact O-N 2.9Å; F42-N46 VanDerWaalsContact CE1-ND2 3.26Å; F42-N46 WeakPolarHBondContact CE1-ND2 3.36Å; F42-N46 WeakPolarHBondContact CE2-ND2 3.39Å; F42-N46 WeakPolarHBondContact CZ-ND2 3.19Å; F42-N46 PolarHBondContact O-N 3.45Å; F42-N46 PolarHBondContact O-ND2 3.4Å |
| 43 | D | 81.2 | Confident | 71.1 | Confident | 82 Ų | 82 | 119.1 Ų | 119.1 | 44% | 0.439 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.6 | -44.1 | -179.5 | -61.5 | -25.5 | 0 | 0 | 0 | 110.7 | R39 Q45 N46 E47 | R39-D43 VanDerWaalsContact O-CG 3.28Å; R39-D43 PolarHBondContact O-N 3.5Å; D43-Q45 PolarHBondContact O-N 3.45Å; D43-N46 CarbonylContact O-C 3.53Å; D43-N46 PolarHBondContact O-N 2.71Å; D43-E47 PolarHBondContact O-N 2.99Å |
| 44 | K | 78.4 | Confident | 68.9 | Low | 142 Ų | 142 | 118.9 Ų | 118.9 | 62% | 0.617 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61.1 | -23.6 | 174.3 | -75.4 | 165.3 | -177.3 | 155.9 | 0 | 114.4 | E40 | E40-K44 VanDerWaalsContact O-CB 3.3Å; E40-K44 WeakPolarHBondContact O-CB 3.42Å; E40-K44 WeakPolarHBondContact O-CD 3.41Å; E40-K44 WeakPolarHBondContact O-CG 3.45Å; E40-K44 PolarHBondContact O-N 2.89Å; E40-K44 IonicContact OE2-NZ 2.64Å; E40-K44 PolarHBondContact OE2-NZ 2.94Å |
| 45 | Q | 72.6 | Confident | 66.7 | Low | 161 Ų | 161 | 121 Ų | 121 | 75% | 0.752 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -86.3 | -19.4 | 175.1 | -76.2 | -179.9 | -24.8 | 0 | 0 | 113.2 | Q41 F42 D43 | Q41-Q45 WeakPolarHBondContact O-CG 3.5Å; Q41-Q45 PolarHBondContact O-N 3.43Å; F42-Q45 PolarHBondContact O-N 2.9Å; D43-Q45 PolarHBondContact O-N 3.45Å |
| 46 | N | 68.4 | Low | 64.2 | Low | 99 Ų | 99 | 121.9 Ų | 121.9 | 53% | 0.529 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -105.2 | 1.2 | 179 | -68.2 | -57.3 | 0 | 0 | 0 | 113.6 | F42 D43 P48 | F42-N46 VanDerWaalsContact CE1-ND2 3.26Å; F42-N46 WeakPolarHBondContact CE1-ND2 3.36Å; F42-N46 WeakPolarHBondContact CE2-ND2 3.39Å; F42-N46 WeakPolarHBondContact CZ-ND2 3.19Å; F42-N46 PolarHBondContact O-N 3.45Å; F42-N46 PolarHBondContact O-ND2 3.4Å; D43-N46 CarbonylContact O-C 3.53Å; D43-N46 PolarHBondContact O-N 2.71Å; N46-P48 WeakPolarHBondContact O-CD 3.16Å; N46-P48 VanDerWaalsContact O-N 3.15Å |
| 47 | E | 65.4 | Low | 61.6 | Low | 138 Ų | 138 | 127.2 Ų | 127.2 | 65% | 0.645 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -53.8 | 116.9 | 165.4 | -82.7 | -65.2 | 165.2 | 0 | 0 | 109.2 | D43 I49 | D43-E47 PolarHBondContact O-N 2.99Å; E47-I49 PolarHBondContact O-N 2.73Å |
| 48 | P | 56.3 | Low | 59 | Low | 96 Ų | 96 | 125.1 Ų | 125.1 | 62% | 0.623 | 67% | 0.665 | S | S | * | * | trans | -65.2 | 124.6 | -177.8 | 26.3 | -33 | 0 | 0 | 0 | 108.9 | N46 V50 | N46-P48 WeakPolarHBondContact O-CD 3.16Å; N46-P48 VanDerWaalsContact O-N 3.15Å; P48-V50 VanDerWaalsContact C-N 3.31Å; P48-V50 PolarHBondContact O-N 2.94Å | ||
| 49 | I | 50.8 | Low | 56.4 | Low | 152 Ų | 152 | 128.4 Ų | 128.4 | 78% | 0.779 | 68% | 0.68 | S | S | * | * | trans | -64.7 | 94.5 | 175.5 | -58.3 | 173 | 0 | 0 | 0 | 108 | E47 L51 | E47-I49 PolarHBondContact O-N 2.73Å; I49-L51 VanDerWaalsContact C-N 3.34Å; I49-L51 HydrophobicContact CG2-CG 4.23Å; I49-L51 PolarHBondContact O-N 3.05Å | ||
| 50 | V | 48.8 | Very low | 53.9 | Low | 108 Ų | 108 | 127.8 Ų | 127.8 | 66% | 0.655 | 69% | 0.694 | S | S | * | * | trans | -68.6 | 97.3 | 168.3 | -178.4 | 0 | 0 | 0 | 0 | 107 | P48 D52 | P48-V50 VanDerWaalsContact C-N 3.31Å; P48-V50 PolarHBondContact O-N 2.94Å; V50-D52 HydrophobicContact CG1-CB 4.39Å; V50-D52 PolarHBondContact O-N 3.43Å | ||
| 51 | L | 45.6 | Very low | 51.5 | Low | 150 Ų | 150 | 129.5 Ų | 129.5 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | trans | -71.8 | 65.4 | 171.5 | -95.6 | 150.4 | 0 | 0 | 0 | 110.1 | I49 S53 | I49-L51 VanDerWaalsContact C-N 3.34Å; I49-L51 HydrophobicContact CG2-CG 4.23Å; I49-L51 PolarHBondContact O-N 3.05Å; L51-S53 PolarHBondContact O-N 2.9Å | ||
| 52 | D | 40.6 | Very low | 49 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | trans | -68.3 | 116.1 | 170.5 | -98 | -17.8 | 0 | 0 | 0 | 109.5 | V50 T54 | V50-D52 HydrophobicContact CG1-CB 4.39Å; V50-D52 PolarHBondContact O-N 3.43Å; D52-T54 PolarHBondContact O-N 3.39Å | ||
| 53 | S | 42.2 | Very low | 46.7 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | -76.7 | 114.1 | -177 | -66.3 | 0 | 0 | 0 | 0 | 111 | L51 | L51-S53 PolarHBondContact O-N 2.9Š| ||
| 54 | T | 39 | Very low | 45.3 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 83% | 0.828 | 75% | 0.751 | S | S | * | * | trans | 48.6 | 97.2 | 148.8 | -47.6 | 0 | 0 | 0 | 0 | 117.8 | D52 | D52-T54 PolarHBondContact O-N 3.39Š| ||
| 55 | S | 33.5 | Very low | 43.8 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | trans | -159.5 | 142.5 | 134.6 | -153.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 56 | T | 33.5 | Very low | 41.7 | Very low | 126 Ų | 126 | 124.7 Ų | 124.7 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -87.4 | 129.5 | -178 | -40.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 57 | K | 34.6 | Very low | 39.7 | Very low | 189 Ų | 189 | 123.7 Ų | 123.7 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -179.3 | 120.6 | 139.4 | -105.4 | 167.2 | -177.9 | 179.2 | 0 | 117.4 | ||||
| 58 | T | 30.6 | Very low | 38 | Very low | 114 Ų | 114 | 123.8 Ų | 123.8 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | 37.3 | 114.4 | 131.8 | 58.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 59 | T | 30.6 | Very low | 37 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | 24.9 | 124.4 | 129.8 | 52.6 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 60 | T | 29.8 | Very low | 36.1 | Very low | 148 Ų | 148 | 127 Ų | 127 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | -168 | 165 | 110.4 | 23.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 61 | T | 34.4 | Very low | 35.4 | Very low | 134 Ų | 134 | 127.2 Ų | 127.2 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -86.2 | 149.4 | -174.6 | 47.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 62 | A | 31.5 | Very low | 34.7 | Very low | 99 Ų | 99 | 124.1 Ų | 124.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 151.3 | 151.6 | 132.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 63 | S | 32.8 | Very low | 34.4 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -111.7 | -174.6 | 173.5 | -36.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 64 | P | 52.2 | Low | 33.9 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | cis | -115.4 | -118.6 | -31.3 | 26.1 | -1.4 | 0 | 0 | 0 | 107.5 | ||||
| 65 | P | 46 | Very low | 33.7 | Very low | 114 Ų | 114 | 129 Ų | 129 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | cis | -133.1 | 154.8 | -37.3 | 36.9 | -19.1 | 0 | 0 | 0 | 117.2 | ||||
| 66 | G | 28.7 | Very low | 33.6 | Very low | 84 Ų | 84 | 129 Ų | 129 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | 81.6 | 129 | 132.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 67 | G | 27.7 | Very low | 33.9 | Very low | 77 Ų | 77 | 128.6 Ų | 128.6 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | 128.3 | 108.6 | 132.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 68 | N | 29.3 | Very low | 33.8 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | 69.2 | 115.1 | 140.4 | -88.1 | -14.5 | 0 | 0 | 0 | 124.4 | ||||
| 69 | K | 34.8 | Very low | 34 | Very low | 167 Ų | 167 | 128.4 Ų | 128.4 | 73% | 0.726 | 80% | 0.795 | S | S | * | * | 81.5 | 142.4 | 117.4 | -76.1 | -179.4 | -178 | -174.5 | 0 | 123.5 | |||||
| 70 | N | 31.4 | Very low | 34.4 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | 70.3 | 152.3 | 161.2 | -59.9 | -2.2 | 0 | 0 | 0 | 116 | ||||
| 71 | S | 33.9 | Very low | 34.7 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | cis | -178.2 | 140.1 | -24.5 | 52.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 72 | G | 31.2 | Very low | 34.6 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | trans | 167.7 | 117.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 73 | E | 34.7 | Very low | 34.8 | Very low | 181 Ų | 181 | 133.2 Ų | 133.2 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -98.7 | 167.2 | 179.8 | -134.3 | -172.6 | 126.6 | 0 | 0 | 111 | ||||
| 74 | V | 32 | Very low | 34.8 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 59% | 0.588 | 78% | 0.784 | S | S | * | * | trans | 87 | 127.7 | 138.6 | 152.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 75 | R | 35 | Very low | 33.8 | Very low | 216 Ų | 216 | 130.8 Ų | 130.8 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | trans | 74 | 111.9 | 153.3 | -74.6 | 167.2 | -164.3 | -176.6 | 3 | 119.6 | ||||
| 76 | T | 31.7 | Very low | 33.3 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | 68.7 | 116.4 | 71.8 | 66.7 | 0 | 0 | 0 | 0 | 116 | |||||
| 77 | S | 39.6 | Very low | 33.7 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -179.3 | 104.9 | 145 | -82.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 78 | E | 33 | Very low | 34.4 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | 38.7 | 109.1 | 90.6 | -71.3 | -155.2 | 125.8 | 0 | 0 | 115.2 | |||||
| 79 | S | 33.8 | Very low | 35.1 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | trans | -140.4 | 132.9 | 142.8 | -172 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 80 | R | 39.4 | Very low | 35.7 | Very low | 202 Ų | 202 | 140.5 Ų | 140.5 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -120.3 | 161.1 | -179 | -89.6 | -180 | 163.4 | -174.9 | -2.8 | 108.7 | ||||
| 81 | Q | 36.2 | Very low | 36.8 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | 74.6 | 143.8 | 162.7 | -73.4 | 168.3 | -8.4 | 0 | 0 | 115.8 | ||||
| 82 | S | 32.7 | Very low | 37.6 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | cis | -170.8 | 158.7 | -3.1 | 44.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 83 | V | 35.5 | Very low | 38.5 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | 51 | 120 | 156.7 | -89.6 | 0 | 0 | 0 | 0 | 124 | ||||
| 84 | S | 32.8 | Very low | 39.1 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | 64.8 | 134.5 | 126.8 | 74.4 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 85 | G | 31 | Very low | 40 | Very low | 64 Ų | 64 | 144.7 Ų | 144.7 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | trans | 170.8 | 31.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 86 | Y | 35.9 | Very low | 41.1 | Very low | 219 Ų | 219 | 139.8 Ų | 139.8 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | 66.2 | 161.5 | 164.6 | -60.1 | -81.6 | 0 | 0 | 0 | 119.4 | ||||
| 87 | D | 36.8 | Very low | 42.2 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | 62.6 | 137 | 178.6 | -49.8 | -31.6 | 0 | 0 | 0 | 115.9 | ||||
| 88 | D | 41.5 | Very low | 42.6 | Very low | 148 Ų | 148 | 139 Ų | 139 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | cis | -139.4 | 156.2 | 24.5 | -167.9 | 14.2 | 0 | 0 | 0 | 114.1 | ||||
| 89 | V | 44 | Very low | 43.2 | Very low | 93 Ų | 93 | 136.3 Ų | 136.3 | 56% | 0.564 | 77% | 0.769 | S | S | * | * | trans | -50.3 | 126.5 | -173.7 | 178.1 | 0 | 0 | 0 | 0 | 115.8 | S91 | V89-S91 WeakPolarHBondContact O-CA 3.31Å; V89-S91 WeakPolarHBondContact O-CB 3.28Å; V89-S91 PolarHBondContact O-N 3.04Å; V89-S91 PolarHBondContact O-OG 3.05Å | ||
| 90 | L | 46.9 | Very low | 43.7 | Very low | 170 Ų | 170 | 136.8 Ų | 136.8 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 27.3 | 24.9 | 130.5 | -72.2 | 164.9 | 0 | 0 | 0 | 121.8 | ||
| 91 | S | 55.8 | Low | 43.9 | Very low | 89 Ų | 89 | 134.7 Ų | 134.7 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | trans | -119.3 | 38 | -159.6 | -52.2 | 0 | 0 | 0 | 0 | 115.3 | V89 | V89-S91 WeakPolarHBondContact O-CA 3.31Å; V89-S91 WeakPolarHBondContact O-CB 3.28Å; V89-S91 PolarHBondContact O-N 3.04Å; V89-S91 PolarHBondContact O-OG 3.05Å | ||
| 92 | Q | 49.8 | Very low | 43.9 | Very low | 181 Ų | 181 | 131.2 Ų | 131.2 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -152.3 | 27.6 | 170.4 | -118.4 | 154.4 | 49.3 | 0 | 0 | 117.2 | V94 | Q92-V94 PolarHBondContact O-N 3.37Š| ||
| 93 | N | 51.3 | Low | 44.3 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | -78.5 | 51.9 | 159.6 | -81.3 | -39.5 | 0 | 0 | 0 | 111.5 | L95 | N93-L95 PolarHBondContact O-N 3.48Š| ||
| 94 | V | 46.4 | Very low | 44.8 | Very low | 111 Ų | 111 | 133 Ų | 133 | 67% | 0.673 | 77% | 0.769 | S | S | * | * | trans | -87.8 | 104.6 | 164.9 | -179.9 | 0 | 0 | 0 | 0 | 106.9 | Q92 V96 | Q92-V94 PolarHBondContact O-N 3.37Å; V94-V96 VanDerWaalsContact C-N 3.27Å; V94-V96 HydrophobicContact CG1-CG2 4.46Å; V94-V96 PolarHBondContact O-N 2.96Å | ||
| 95 | L | 51.4 | Low | 44.8 | Very low | 166 Ų | 166 | 133 Ų | 133 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -61.6 | 92.4 | 164.4 | -86.8 | 147.1 | 0 | 0 | 0 | 108.4 | N93 P97 | N93-L95 PolarHBondContact O-N 3.48Å; L95-P97 WeakPolarHBondContact O-CD 3.33Å | ||
| 96 | V | 58.2 | Low | 45.5 | Very low | 114 Ų | 114 | 138 Ų | 138 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 124.2 | 170.8 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | V94 C98 | V94-V96 VanDerWaalsContact C-N 3.27Å; V94-V96 HydrophobicContact CG1-CG2 4.46Å; V94-V96 PolarHBondContact O-N 2.96Å; V96-C98 PolarHBondContact O-N 3.36Å |
| 97 | P | 54.5 | Low | 45.5 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 121.6 | 175.3 | -23.5 | 34.2 | 0 | 0 | 0 | 110.2 | L95 P99 | L95-P97 WeakPolarHBondContact O-CD 3.33Å; P97-P99 WeakPolarHBondContact O-CD 3.28Å |
| 98 | C | 47.1 | Very low | 45.7 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 126.5 | 173.7 | -60.9 | 0 | 0 | 0 | 0 | 109.3 | V96 V100 | V96-C98 PolarHBondContact O-N 3.36Å; C98-V100 PolarHBondContact O-N 3.5Å |
| 99 | P | 46.8 | Very low | 45.3 | Very low | 117 Ų | 117 | 130 Ų | 130 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | trans | -65.7 | 109.5 | 171.6 | 26.1 | -32.1 | 0 | 0 | 0 | 108.8 | P97 N101 | P97-P99 WeakPolarHBondContact O-CD 3.28Å; P99-N101 VanDerWaalsContact C-N 3.29Å; P99-N101 PolarHBondContact O-N 3.26Å | ||
| 100 | V | 43.4 | Very low | 45 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -73.3 | 87.5 | 172.7 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | C98 S102 | C98-V100 PolarHBondContact O-N 3.5Å; V100-S102 PolarHBondContact O-N 2.86Å | ||
| 101 | N | 44.1 | Very low | 44.5 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | -69.7 | 122.3 | 171.7 | -102.2 | -2.2 | 0 | 0 | 0 | 109.9 | P99 | P99-N101 VanDerWaalsContact C-N 3.29Å; P99-N101 PolarHBondContact O-N 3.26Å | ||
| 102 | S | 36.7 | Very low | 43.5 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -62.8 | 141.1 | -167.6 | -49 | 0 | 0 | 0 | 0 | 115.5 | V100 | V100-S102 PolarHBondContact O-N 2.86Š| ||
| 103 | N | 40.1 | Very low | 43.1 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | 67.6 | 162.8 | 142.8 | -101.8 | 10.9 | 0 | 0 | 0 | 120.2 | ||||
| 104 | P | 47.1 | Very low | 42.2 | Very low | 102 Ų | 102 | 130.3 Ų | 130.3 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | trans | -93.3 | 147.7 | -154.8 | 35.6 | -36.1 | 0 | 0 | 0 | 113.9 | ||||
| 105 | S | 32.8 | Very low | 42.1 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -97.5 | 104.9 | 158.4 | -169.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 106 | M | 45.4 | Very low | 41.2 | Very low | 169 Ų | 169 | 128.4 Ų | 128.4 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | trans | -99 | 108.6 | 162.4 | -75.3 | -136.3 | 77.7 | 0 | 0 | 109.8 | ||||
| 107 | T | 36 | Very low | 40 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | trans | -149.1 | 104 | 146.5 | 41.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 108 | S | 39.7 | Very low | 39.5 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | 64 | 85.7 | 74.5 | 76.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 109 | S | 34 | Very low | 39 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -97.8 | 94.9 | 162.4 | 46.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 110 | S | 37 | Very low | 38.7 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | -137.9 | 124.7 | 156.7 | -171.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 111 | T | 36.2 | Very low | 39 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -93.5 | 125.1 | -168.3 | 37.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 112 | K | 35.3 | Very low | 39 | Very low | 203 Ų | 203 | 130.8 Ų | 130.8 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -173.1 | 145.1 | 132.2 | -104.2 | 162.6 | -174.6 | -179.5 | 0 | 111.7 | ||||
| 113 | P | 42.3 | Very low | 39.6 | Very low | 126 Ų | 126 | 133 Ų | 133 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -90.7 | 145.7 | -177.6 | 35.3 | -33.4 | 0 | 0 | 0 | 112.6 | ||||
| 114 | S | 32.1 | Very low | 39.7 | Very low | 124 Ų | 124 | 129 Ų | 129 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -149.3 | 146.8 | 153.5 | -169.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 115 | V | 43.8 | Very low | 40.1 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 76% | 0.758 | 80% | 0.795 | S | S | * | * | trans | -87.3 | 141.5 | -163.7 | -168 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 116 | S | 31.7 | Very low | 41.2 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | 175.3 | 116.1 | 136 | -79.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 117 | N | 34.1 | Very low | 41.8 | Very low | 142 Ų | 142 | 130 Ų | 130 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | 24.3 | 118.7 | 142.6 | -68.3 | 2.1 | 0 | 0 | 0 | 123.2 | ||||
| 118 | T | 43.8 | Very low | 42.6 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | 39.5 | 118.8 | 128.6 | 62.5 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 119 | S | 36.6 | Very low | 43.5 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | -155 | 153.4 | 121.4 | -165.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 120 | A | 41.5 | Very low | 44.7 | Very low | 91 Ų | 91 | 132.2 Ų | 132.2 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | -98.6 | 165.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 121 | M | 47.9 | Very low | 45.9 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -40.3 | 128.5 | 175.1 | -72.2 | -134 | -169.1 | 0 | 0 | 115.6 | ||||
| 122 | V | 45.7 | Very low | 47.1 | Very low | 137 Ų | 137 | 130.7 Ų | 130.7 | 83% | 0.83 | 74% | 0.736 | S | S | * | * | trans | -146.2 | 90.3 | 134.1 | -171.6 | 0 | 0 | 0 | 0 | 108.3 | S124 | V122-S124 PolarHBondContact O-N 2.64Š| ||
| 123 | H | 47.8 | Very low | 48.2 | Very low | 153 Ų | 153 | 123.9 Ų | 123.9 | 71% | 0.708 | 71% | 0.71 | S | S | * | * | trans | -76.3 | 104.8 | 167.4 | -78.3 | -76.7 | 0 | 0 | 0 | 108.8 | ||||
| 124 | S | 44 | Very low | 49.2 | Very low | 78 Ų | 78 | 123.2 Ų | 123.2 | 55% | 0.545 | 70% | 0.703 | S | S | . | * | trans | -69.9 | 130 | 175.6 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | V122 H126 E127 | V122-S124 PolarHBondContact O-N 2.64Å; S124-H126 PolarHBondContact O-N 3.18Å; S124-E127 PolarHBondContact O-N 2.69Å | ||
| 125 | L | 54.8 | Low | 50.3 | Low | 152 Ų | 152 | 125.1 Ų | 125.1 | 80% | 0.796 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -17.8 | 176.5 | -88 | 157.4 | 0 | 0 | 0 | 114 | E127 F128 | L125-E127 PolarHBondContact O-N 2.99Å; L125-F128 PolarHBondContact O-N 3.35Å; L125-F128 VanDerWaalsContact O-N 3.15Å |
| 126 | H | 56.1 | Low | 51.2 | Low | 129 Ų | 129 | 124.9 Ų | 124.9 | 60% | 0.597 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -62.6 | -22 | 178.7 | -163.5 | 50.5 | 0 | 0 | 0 | 114.3 | S124 F128 S130 | S124-H126 PolarHBondContact O-N 3.18Å; H126-F128 VanDerWaalsContact C-N 3.29Å; H126-F128 PolarHBondContact O-N 2.91Å; H126-S130 WeakPolarHBondContact O-CB 3.08Å; H126-S130 PolarHBondContact O-N 3.15Å; H126-S130 PolarHBondContact O-OG 3.33Å |
| 127 | E | 58.3 | Low | 52.4 | Low | 127 Ų | 127 | 125.3 Ų | 125.3 | 59% | 0.593 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -69.8 | -25.8 | 176.3 | -165.9 | 170.5 | -169.3 | 0 | 0 | 112.4 | S124 L125 T131 | S124-E127 PolarHBondContact O-N 2.69Å; L125-E127 PolarHBondContact O-N 2.99Å; E127-T131 PolarHBondContact O-OG1 3.07Å |
| 128 | F | 53.1 | Low | 53.7 | Low | 156 Ų | 156 | 123.2 Ų | 123.2 | 68% | 0.684 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -83.8 | -20.2 | -177.1 | -135.7 | -86.9 | 0 | 0 | 0 | 113.8 | L125 H126 N133 | L125-F128 PolarHBondContact O-N 3.35Å; L125-F128 VanDerWaalsContact O-N 3.15Å; H126-F128 VanDerWaalsContact C-N 3.29Å; H126-F128 PolarHBondContact O-N 2.91Å; F128-N133 PolarHBondContact O-ND2 3.15Å |
| 129 | E | 58.7 | Low | 54.5 | Low | 166 Ų | 166 | 124.8 Ų | 124.8 | 78% | 0.776 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -97 | -13.2 | 175.9 | -65.2 | -179.5 | 171.2 | 0 | 0 | 113 | ||
| 130 | S | 59 | Low | 55.6 | Low | 77 Ų | 77 | 125.9 Ų | 125.9 | 54% | 0.538 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -103.5 | -3.5 | -175.2 | 53.8 | 0 | 0 | 0 | 0 | 114.6 | H126 | H126-S130 WeakPolarHBondContact O-CB 3.08Å; H126-S130 PolarHBondContact O-N 3.15Å; H126-S130 PolarHBondContact O-OG 3.33Å |
| 131 | T | 61 | Low | 56.3 | Low | 84 Ų | 84 | 128.3 Ų | 128.3 | 52% | 0.515 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -97.6 | 128.5 | 167.4 | 49.2 | 0 | 0 | 0 | 0 | 108.8 | E127 N133 | E127-T131 PolarHBondContact O-OG1 3.07Å; T131-N133 PolarHBondContact O-N 2.9Å |
| 132 | N | 61.4 | Low | 56.8 | Low | 135 Ų | 135 | 124.6 Ų | 124.6 | 72% | 0.722 | 66% | 0.659 | S | S | * | * | trans | -52 | 112.6 | 176.7 | -81 | 20.1 | 0 | 0 | 0 | 109 | ||||
| 133 | N | 59.6 | Low | 57.4 | Low | 61 Ų | 61 | 124.6 Ų | 124.6 | 33% | 0.326 | 65% | 0.654 | S | S | . | * | trans | -71.3 | 141.1 | 178.7 | -91.9 | -67.9 | 0 | 0 | 0 | 108.6 | F128 T131 F135 D136 | F128-N133 PolarHBondContact O-ND2 3.15Å; T131-N133 PolarHBondContact O-N 2.9Å; N133-F135 PolarHBondContact O-N 3.47Å; N133-D136 PolarHBondContact N-OD2 2.81Å; N133-D136 PolarHBondContact O-N 2.93Å | ||
| 134 | V | 61.4 | Low | 58.2 | Low | 112 Ų | 112 | 123.2 Ų | 123.2 | 68% | 0.679 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -22.5 | 178 | -179 | 0 | 0 | 0 | 0 | 111.5 | I138 | V134-I138 WeakPolarHBondContact O-CG1 3.33Š|
| 135 | F | 56.9 | Low | 59.5 | Low | 163 Ų | 163 | 123.7 Ų | 123.7 | 72% | 0.715 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -23.1 | 176.2 | -61.4 | -77.6 | 0 | 0 | 0 | 114.8 | N133 I138 | N133-F135 PolarHBondContact O-N 3.47Å; F135-I138 HydrophobicContact CD1-CD1 4.09Å; F135-I138 PolarHBondContact O-N 2.85Å |
| 136 | D | 61.6 | Low | 60.5 | Low | 120 Ų | 120 | 125.5 Ų | 125.5 | 64% | 0.642 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -31.5 | 175.1 | -64.3 | -45.7 | 0 | 0 | 0 | 111.7 | N133 I138 | N133-D136 PolarHBondContact N-OD2 2.81Å; N133-D136 PolarHBondContact O-N 2.93Å; D136-I138 VanDerWaalsContact C-N 3.28Å |
| 137 | D | 58.2 | Low | 61.2 | Low | 122 Ų | 122 | 127.3 Ų | 127.3 | 65% | 0.652 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -77.3 | -11.7 | 174.2 | -79.8 | -24.5 | 0 | 0 | 0 | 112.9 | Q139 | D137-Q139 PolarHBondContact O-N 3.09Š|
| 138 | I | 61.3 | Low | 61.9 | Low | 98 Ų | 98 | 123.8 Ų | 123.8 | 50% | 0.503 | 64% | 0.643 | S | S | . | * | trans | -77.7 | 77.6 | 170.7 | -60.9 | 170.1 | 0 | 0 | 0 | 108.4 | V134 F135 D136 I140 | V134-I138 WeakPolarHBondContact O-CG1 3.33Å; F135-I138 HydrophobicContact CD1-CD1 4.09Å; F135-I138 PolarHBondContact O-N 2.85Å; D136-I138 VanDerWaalsContact C-N 3.28Å; I138-I140 VanDerWaalsContact C-N 3.32Å; I138-I140 HydrophobicContact CG2-CG1 4.1Å; I138-I140 PolarHBondContact O-N 2.86Å | ||
| 139 | Q | 59.1 | Low | 63 | Low | 165 Ų | 165 | 121.8 Ų | 121.8 | 77% | 0.771 | 64% | 0.639 | S | S | * | * | trans | -62 | 99.1 | 159.5 | -69 | -174.7 | 6.5 | 0 | 0 | 108.1 | D137 L141 | D137-Q139 PolarHBondContact O-N 3.09Å; Q139-L141 PolarHBondContact O-N 3.23Å | ||
| 140 | I | 59.6 | Low | 63.8 | Low | 151 Ų | 151 | 119.1 Ų | 119.1 | 77% | 0.774 | 63% | 0.626 | S | S | * | * | trans | -65.6 | 88 | 164 | -55.1 | 178.1 | 0 | 0 | 0 | 106.2 | I138 A142 | I138-I140 VanDerWaalsContact C-N 3.32Å; I138-I140 HydrophobicContact CG2-CG1 4.1Å; I138-I140 PolarHBondContact O-N 2.86Å; I140-A142 VanDerWaalsContact C-N 3.31Å; I140-A142 PolarHBondContact O-N 3.49Å | ||
| 141 | L | 57.7 | Low | 64.6 | Low | 142 Ų | 142 | 121.7 Ų | 121.7 | 74% | 0.743 | 63% | 0.63 | S | S | * | * | trans | -55 | 102.1 | 160.7 | -83.6 | 158.5 | 0 | 0 | 0 | 106.2 | Q139 L143 | Q139-L141 PolarHBondContact O-N 3.23Å; L141-L143 PolarHBondContact O-N 2.85Å | ||
| 142 | A | 58.5 | Low | 65.3 | Low | 89 Ų | 89 | 122 Ų | 122 | 74% | 0.736 | 63% | 0.631 | S | S | * | * | trans | -56.5 | 108.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | I140 D144 | I140-A142 VanDerWaalsContact C-N 3.31Å; I140-A142 PolarHBondContact O-N 3.49Å; A142-D144 PolarHBondContact O-N 3.15Å; A142-D144 VanDerWaalsContact O-N 3.14Å | ||
| 143 | L | 58.3 | Low | 65.9 | Low | 137 Ų | 137 | 121.3 Ų | 121.3 | 72% | 0.717 | 63% | 0.627 | S | S | * | * | trans | -60.5 | 120 | 176.8 | -67.4 | 168.5 | 0 | 0 | 0 | 106.7 | L141 D145 | L141-L143 PolarHBondContact O-N 2.85Å; L143-D145 VanDerWaalsContact CB-OD1 3.3Å; L143-D145 WeakPolarHBondContact CB-OD1 3.33Å; L143-D145 PolarHBondContact O-N 3.5Å | ||
| 144 | D | 63.1 | Low | 66.2 | Low | 124 Ų | 124 | 124.8 Ų | 124.8 | 66% | 0.663 | 64% | 0.643 | S | S | * | * | trans | -74.9 | 70.9 | 172.1 | -175.5 | 19.4 | 0 | 0 | 0 | 108.6 | A142 R146 K147 | A142-D144 PolarHBondContact O-N 3.15Å; A142-D144 VanDerWaalsContact O-N 3.14Å; D144-R146 PolarHBondContact O-N 3.15Å; D144-R146 WeakPolarHBondContact OD1-CB 3.37Å; D144-K147 PolarHBondContact O-N 3.18Å | ||
| 145 | D | 71.6 | Confident | 66.5 | Low | 88 Ų | 88 | 125.5 Ų | 125.5 | 47% | 0.471 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.4 | -8.6 | -178.6 | -71.6 | -21.8 | 0 | 0 | 0 | 112 | L143 K147 A148 L149 | L143-D145 VanDerWaalsContact CB-OD1 3.3Å; L143-D145 WeakPolarHBondContact CB-OD1 3.33Å; L143-D145 PolarHBondContact O-N 3.5Å; D145-K147 PolarHBondContact O-N 3.43Å; D145-K147 VanDerWaalsContact O-N 3.15Å; D145-A148 PolarHBondContact O-N 3.29Å; D145-L149 HydrophobicContact CB-CD1 4.2Å; D145-L149 HydrophobicContact CB-CG 4.43Å; D145-L149 WeakPolarHBondContact O-CB 3.17Å; D145-L149 WeakPolarHBondContact O-CG 3.33Å; D145-L149 PolarHBondContact O-N 2.93Å |
| 146 | R | 76.1 | Confident | 66.4 | Low | 190 Ų | 190 | 122.3 Ų | 122.3 | 72% | 0.717 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -50.9 | -37.7 | 175.7 | -171.1 | 178.7 | -179.4 | -179.6 | 1.4 | 112.8 | D144 Q150 | D144-R146 PolarHBondContact O-N 3.15Å; D144-R146 WeakPolarHBondContact OD1-CB 3.37Å; R146-Q150 WeakPolarHBondContact O-CB 3.23Å; R146-Q150 PolarHBondContact O-N 3.14Å |
| 147 | K | 71.9 | Confident | 66 | Low | 167 Ų | 167 | 123 Ų | 123 | 73% | 0.726 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71.9 | -44.3 | 175.9 | -102.4 | -168.9 | 174.4 | -173.6 | 0 | 112.8 | D144 D145 Q150 E151 | D144-K147 PolarHBondContact O-N 3.18Å; D145-K147 PolarHBondContact O-N 3.43Å; D145-K147 VanDerWaalsContact O-N 3.15Å; K147-Q150 PolarHBondContact O-N 3.41Å; K147-E151 PolarHBondContact O-N 3.48Å |
| 148 | A | 72.1 | Confident | 65.6 | Low | 52 Ų | 52 | 120.5 Ų | 120.5 | 43% | 0.43 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -65 | -42.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D145 E151 V152 | D145-A148 PolarHBondContact O-N 3.29Å; A148-E151 PolarHBondContact O-N 2.62Å; A148-V152 WeakPolarHBondContact O-CG2 3.47Å; A148-V152 PolarHBondContact O-N 2.69Å |
| 149 | L | 75.6 | Confident | 64.9 | Low | 114 Ų | 114 | 120.7 Ų | 120.7 | 60% | 0.597 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -63.6 | -39.9 | 173.4 | -70 | 170.2 | 0 | 0 | 0 | 111.8 | D145 V152 L153 | D145-L149 HydrophobicContact CB-CD1 4.2Å; D145-L149 HydrophobicContact CB-CG 4.43Å; D145-L149 WeakPolarHBondContact O-CB 3.17Å; D145-L149 WeakPolarHBondContact O-CG 3.33Å; D145-L149 PolarHBondContact O-N 2.93Å; L149-V152 PolarHBondContact O-N 3.09Å; L149-L153 WeakPolarHBondContact O-CB 3.49Å; L149-L153 PolarHBondContact O-N 3.34Å |
| 150 | Q | 75.8 | Confident | 63.8 | Low | 111 Ų | 111 | 120 Ų | 120 | 52% | 0.519 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -64.3 | -40.4 | 174.6 | -177.8 | 173.1 | 1.7 | 0 | 0 | 111.9 | R146 K147 L153 M154 | R146-Q150 WeakPolarHBondContact O-CB 3.23Å; R146-Q150 PolarHBondContact O-N 3.14Å; K147-Q150 PolarHBondContact O-N 3.41Å; Q150-L153 PolarHBondContact O-N 3.08Å; Q150-M154 HydrophobicContact CG-CG 4.49Å; Q150-M154 HydrophobicContact CG-SD 4.12Å; Q150-M154 WeakPolarHBondContact O-CB 3.1Å; Q150-M154 VanDerWaalsContact O-CG 3.28Å; Q150-M154 WeakPolarHBondContact O-CG 3.3Å; Q150-M154 PolarHBondContact O-N 3.1Å |
| 151 | E | 76.4 | Confident | 62.9 | Low | 131 Ų | 131 | 118.3 Ų | 118.3 | 61% | 0.612 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -63.1 | -46.9 | 175.6 | -172.5 | 171.5 | -178.8 | 0 | 0 | 111.5 | K147 A148 L153 M154 L155 | K147-E151 PolarHBondContact O-N 3.48Å; A148-E151 PolarHBondContact O-N 2.62Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-L153 PolarHBondContact O-N 3.35Å; E151-M154 PolarHBondContact O-N 2.68Å; E151-L155 HydrophobicContact CG-CD1 4.08Å; E151-L155 WeakPolarHBondContact O-CB 3.35Å; E151-L155 VanDerWaalsContact O-CG 3.28Å; E151-L155 WeakPolarHBondContact O-CG 3.08Å; E151-L155 PolarHBondContact O-N 3.22Å |
| 152 | V | 74.9 | Confident | 61.8 | Low | 89 Ų | 89 | 120.3 Ų | 120.3 | 54% | 0.539 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -60.2 | -41.9 | 174.1 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | A148 L149 M154 L155 T156 | A148-V152 WeakPolarHBondContact O-CG2 3.47Å; A148-V152 PolarHBondContact O-N 2.69Å; L149-V152 PolarHBondContact O-N 3.09Å; V152-M154 PolarHBondContact O-N 3.15Å; V152-L155 PolarHBondContact O-N 2.87Å; V152-T156 WeakPolarHBondContact O-CB 3.41Å; V152-T156 PolarHBondContact O-N 2.98Å; V152-T156 PolarHBondContact O-OG1 3.45Å |
| 153 | L | 73.9 | Confident | 60.8 | Low | 121 Ų | 121 | 123.4 Ų | 123.4 | 63% | 0.634 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -65.3 | -39.1 | 178.6 | -151.2 | 84.3 | 0 | 0 | 0 | 111.8 | L149 Q150 E151 T156 | L149-L153 WeakPolarHBondContact O-CB 3.49Å; L149-L153 PolarHBondContact O-N 3.34Å; Q150-L153 PolarHBondContact O-N 3.08Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-L153 PolarHBondContact O-N 3.35Å; L153-T156 PolarHBondContact O-N 2.7Å |
| 154 | M | 67.4 | Low | 60.4 | Low | 135 Ų | 135 | 121.9 Ų | 121.9 | 67% | 0.665 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.9 | -37.2 | 176.7 | -73.6 | -179.1 | 66.2 | 0 | 0 | 112.4 | Q150 E151 V152 T156 | Q150-M154 HydrophobicContact CG-CG 4.49Å; Q150-M154 HydrophobicContact CG-SD 4.12Å; Q150-M154 WeakPolarHBondContact O-CB 3.1Å; Q150-M154 VanDerWaalsContact O-CG 3.28Å; Q150-M154 WeakPolarHBondContact O-CG 3.3Å; Q150-M154 PolarHBondContact O-N 3.1Å; E151-M154 PolarHBondContact O-N 2.68Å; V152-M154 PolarHBondContact O-N 3.15Å; M154-T156 VanDerWaalsContact C-N 3.33Å |
| 155 | L | 66.3 | Low | 59 | Low | 127 Ų | 127 | 124 Ų | 124 | 67% | 0.665 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -68.4 | -30.5 | 175.1 | -71.1 | 167.1 | 0 | 0 | 0 | 112.7 | E151 V152 N157 | E151-L155 HydrophobicContact CG-CD1 4.08Å; E151-L155 WeakPolarHBondContact O-CB 3.35Å; E151-L155 VanDerWaalsContact O-CG 3.28Å; E151-L155 WeakPolarHBondContact O-CG 3.08Å; E151-L155 PolarHBondContact O-N 3.22Å; V152-L155 PolarHBondContact O-N 2.87Å; L155-N157 VanDerWaalsContact C-N 3.34Å; L155-N157 PolarHBondContact O-N 3.27Å |
| 156 | T | 56.1 | Low | 57.2 | Low | 96 Ų | 96 | 124.4 Ų | 124.4 | 59% | 0.589 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -73.9 | -23.2 | -176.9 | -55.9 | 0 | 0 | 0 | 0 | 113.3 | V152 L153 M154 G158 | V152-T156 WeakPolarHBondContact O-CB 3.41Å; V152-T156 PolarHBondContact O-N 2.98Å; V152-T156 PolarHBondContact O-OG1 3.45Å; L153-T156 PolarHBondContact O-N 2.7Å; M154-T156 VanDerWaalsContact C-N 3.33Å; T156-G158 VanDerWaalsContact C-N 3.31Å; T156-G158 PolarHBondContact O-N 3.35Å |
| 157 | N | 52.5 | Low | 55 | Low | 135 Ų | 135 | 121.3 Ų | 121.3 | 72% | 0.722 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 2.9 | 180 | -71.2 | -13.9 | 0 | 0 | 0 | 114.3 | L155 S159 | L155-N157 VanDerWaalsContact C-N 3.34Å; L155-N157 PolarHBondContact O-N 3.27Å; N157-S159 PolarHBondContact O-N 3.34Å |
| 158 | G | 50.1 | Low | 53 | Low | 69 Ų | 69 | 118.1 Ų | 118.1 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 2.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | T156 | T156-G158 VanDerWaalsContact C-N 3.31Å; T156-G158 PolarHBondContact O-N 3.35Å |
| 159 | S | 46.5 | Very low | 51.1 | Low | 102 Ų | 102 | 120.3 Ų | 120.3 | 71% | 0.713 | 69% | 0.688 | S | S | * | * | trans | -119.5 | 54.6 | -166.4 | -60.4 | 0 | 0 | 0 | 0 | 114.1 | N157 | N157-S159 PolarHBondContact O-N 3.34Š| ||
| 160 | N | 36.5 | Very low | 49 | Very low | 149 Ų | 149 | 122.4 Ų | 122.4 | 80% | 0.797 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -163.8 | 113.5 | 143.5 | -103.2 | -34.4 | 0 | 0 | 0 | 114.6 | ||
| 161 | T | 39.9 | Very low | 46.8 | Very low | 116 Ų | 116 | 122.2 Ų | 122.2 | 71% | 0.712 | 71% | 0.709 | S | S | * | * | trans | 51.6 | 128 | 140.5 | 28.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 162 | Q | 34.5 | Very low | 44.6 | Very low | 184 Ų | 184 | 122.6 Ų | 122.6 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | trans | 86.4 | 103.7 | 145.9 | -72 | -174.7 | -54.3 | 0 | 0 | 121.1 | ||||
| 163 | L | 37.2 | Very low | 42.4 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 81% | 0.806 | 73% | 0.725 | S | S | * | * | trans | -50 | 158.6 | 139.8 | -102.5 | 85.2 | 0 | 0 | 0 | 111.7 | ||||
| 164 | P | 49.3 | Very low | 40.4 | Very low | 106 Ų | 106 | 127 Ų | 127 | 69% | 0.688 | 73% | 0.73 | S | S | * | * | cis | -148 | 162.7 | 46.7 | 41.4 | -21.7 | 0 | 0 | 0 | 120.1 | ||||
| 165 | Q | 35 | Very low | 38.8 | Very low | 169 Ų | 169 | 126.8 Ų | 126.8 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | 70.3 | 116.2 | 139.1 | -81.5 | 177.9 | -3.4 | 0 | 0 | 122.5 | ||||
| 166 | S | 33.2 | Very low | 37.1 | Very low | 95 Ų | 95 | 127.5 Ų | 127.5 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | 104.7 | 139 | 119.1 | -68.5 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 167 | T | 29.9 | Very low | 36 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | 73.6 | 101 | 146.7 | 43.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 168 | S | 30.2 | Very low | 35.1 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | 64.5 | 116.7 | 121.8 | 64.5 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 169 | S | 31.4 | Very low | 34.3 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | trans | 61 | 118.6 | 130.6 | 65.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 170 | L | 32.7 | Very low | 33.5 | Very low | 158 Ų | 158 | 135.3 Ų | 135.3 | 83% | 0.827 | 72% | 0.724 | S | S | * | * | trans | 49.7 | 108.7 | 130.2 | -72.2 | 160 | 0 | 0 | 0 | 120.1 | ||||
| 171 | S | 29.6 | Very low | 33.2 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | 162.7 | 113.2 | 123.6 | -72.8 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 172 | I | 29.9 | Very low | 33.1 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | 58 | 96 | 91.6 | -59.2 | 169.3 | 0 | 0 | 0 | 113.2 | |||||
| 173 | N | 28.4 | Very low | 33.6 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 78% | 0.775 | 72% | 0.719 | S | S | * | * | 178.9 | 170 | 108.7 | -106.7 | -40.1 | 0 | 0 | 0 | 115.3 | |||||
| 174 | H | 31.1 | Very low | 33.3 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 73% | 0.731 | 72% | 0.715 | S | S | * | * | trans | 76.1 | 99.6 | 173.5 | -109.9 | 35.5 | 0 | 0 | 0 | 116.2 | ||||
| 175 | I | 34 | Very low | 32.4 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 67% | 0.672 | 72% | 0.718 | S | S | * | * | 61.9 | 114.3 | 67 | -54.7 | 172 | 0 | 0 | 0 | 109.3 | |||||
| 176 | Q | 31.8 | Very low | 32.2 | Very low | 142 Ų | 142 | 134.3 Ų | 134.3 | 66% | 0.664 | 72% | 0.715 | S | S | * | * | -168.3 | 129.4 | 77.5 | -165 | 163.4 | -5.3 | 0 | 0 | 113.8 | |||||
| 177 | Q | 33.2 | Very low | 32.1 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | trans | 57.3 | 144.6 | 147.4 | -69 | -179.9 | 34.8 | 0 | 0 | 119.6 | ||||
| 178 | Q | 32.1 | Very low | 32.1 | Very low | 132 Ų | 132 | 138 Ų | 138 | 62% | 0.617 | 72% | 0.723 | S | S | * | * | cis | -155 | 170.8 | 3.9 | -103.8 | 171 | 72.8 | 0 | 0 | 105.4 | ||||
| 179 | K | 33.3 | Very low | 32.2 | Very low | 148 Ų | 148 | 140.1 Ų | 140.1 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | cis | -160.8 | 155.4 | 9.7 | -131.8 | 171.8 | -179.8 | 142.1 | 0 | 110.9 | ||||
| 180 | Q | 30.2 | Very low | 32.3 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 65% | 0.654 | 73% | 0.733 | S | S | * | * | trans | 24.5 | 146.8 | 131 | -69.6 | 173.2 | -19.8 | 0 | 0 | 121.7 | ||||
| 181 | H | 30.1 | Very low | 32.2 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | cis | -158.8 | 144.8 | 11.6 | -123.8 | -62.8 | 0 | 0 | 0 | 111.8 | ||||
| 182 | E | 38.3 | Very low | 32.4 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | trans | -100 | 165.4 | 149.2 | -82.4 | -150.9 | 151.5 | 0 | 0 | 110.2 | ||||
| 183 | P | 44.4 | Very low | 32.5 | Very low | 128 Ų | 128 | 149.2 Ų | 149.2 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | trans | -143.7 | 163.4 | 131.5 | 38.2 | -23.8 | 0 | 0 | 0 | 116.6 | ||||
| 184 | I | 32.2 | Very low | 33.7 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | -125.8 | 145.5 | 176.1 | -60.5 | 171.2 | 0 | 0 | 0 | 110.4 | ||||
| 185 | N | 30 | Very low | 33.8 | Very low | 143 Ų | 143 | 149 Ų | 149 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | trans | 68.2 | 147.9 | 165.5 | -97.2 | -12.7 | 0 | 0 | 0 | 118.8 | ||||
| 186 | N | 29.4 | Very low | 34 | Very low | 136 Ų | 136 | 152.6 Ų | 152.6 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | cis | -166 | 179.2 | 39.8 | -136.8 | -16.8 | 0 | 0 | 0 | 114.2 | ||||
| 187 | N | 31.8 | Very low | 34.4 | Very low | 136 Ų | 136 | 154.3 Ų | 154.3 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -64.8 | 150.1 | -172.2 | -68.7 | -36.9 | 0 | 0 | 0 | 119.3 | ||||
| 188 | N | 30.7 | Very low | 34.9 | Very low | 163 Ų | 163 | 154.2 Ų | 154.2 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | 179.6 | 163.4 | 107.7 | -95.2 | -26.3 | 0 | 0 | 0 | 116.1 | |||||
| 189 | N | 31.6 | Very low | 35.3 | Very low | 144 Ų | 144 | 157.4 Ų | 157.4 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -60.6 | 143.6 | -170.3 | -63.3 | -38.8 | 0 | 0 | 0 | 117.5 | ||||
| 190 | T | 32.9 | Very low | 35.7 | Very low | 134 Ų | 134 | 154.9 Ų | 154.9 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | -177.3 | 133.4 | 99.8 | 22.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 191 | E | 31.5 | Very low | 36.2 | Very low | 177 Ų | 177 | 154.9 Ų | 154.9 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | 42.1 | 107.6 | 143.8 | -152 | 164.2 | -164.2 | 0 | 0 | 122.7 | ||||
| 192 | M | 33.6 | Very low | 36.9 | Very low | 183 Ų | 183 | 153.4 Ų | 153.4 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | 173.1 | 138.1 | 124.3 | -87 | -88 | -168.8 | 0 | 0 | 111.5 | |||||
| 193 | K | 32.7 | Very low | 37.2 | Very low | 197 Ų | 197 | 151.5 Ų | 151.5 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | -79.6 | 176.3 | 176.4 | -80.4 | 178.8 | 177.4 | 172.7 | 0 | 111.9 | ||||
| 194 | P | 52.3 | Low | 37.2 | Very low | 102 Ų | 102 | 149 Ų | 149 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | cis | -135.9 | 165.6 | -44.8 | 37.8 | -23.2 | 0 | 0 | 0 | 112.9 | ||||
| 195 | K | 34.4 | Very low | 38 | Very low | 197 Ų | 197 | 147.4 Ų | 147.4 | 86% | 0.857 | 76% | 0.758 | S | S | * | * | trans | 171.1 | 141 | 133 | -95.6 | 152.8 | -173.3 | 172.7 | 0 | 114.8 | ||||
| 196 | K | 36.8 | Very low | 39.2 | Very low | 206 Ų | 206 | 145.2 Ų | 145.2 | 90% | 0.896 | 75% | 0.747 | S | S | * | * | trans | 52.7 | 94.9 | 156.3 | -71.3 | -173.1 | 172.8 | -178.6 | 0 | 118.7 | ||||
| 197 | L | 41.6 | Very low | 40.7 | Very low | 179 Ų | 179 | 141.7 Ų | 141.7 | 94% | 0.937 | 73% | 0.732 | S | S | * | * | trans | -121.6 | 78.9 | 156.1 | -145.4 | 160.9 | 0 | 0 | 0 | 108.5 | ||||
| 198 | E | 42.6 | Very low | 42.3 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | trans | -154.3 | 54.5 | 178 | -157.9 | -139 | 136.9 | 0 | 0 | 112.5 | K202 | E198-K202 IonicContact OE1-NZ 2.62Å; E198-K202 PolarHBondContact OE1-NZ 3.17Å | ||
| 199 | K | 41.8 | Very low | 44.3 | Very low | 200 Ų | 200 | 137 Ų | 137 | 87% | 0.87 | 70% | 0.703 | S | S | * | * | trans | -156.2 | 48.2 | 174.6 | -132.8 | -178.2 | -175.1 | -168.8 | 0 | 116 | ||||
| 200 | A | 40.6 | Very low | 46.5 | Very low | 94 Ų | 94 | 137 Ų | 137 | 78% | 0.777 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -126.5 | -9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 201 | E | 41.2 | Very low | 48.7 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 66% | 0.659 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -113.6 | 12.6 | -174.2 | -147.5 | -154.3 | 127.8 | 0 | 0 | 114.2 | K205 | E201-K205 WeakPolarHBondContact OE1-CE 3.39Å; E201-K205 IonicContact OE1-NZ 3.7Å; E201-K205 PolarHBondContact OE1-NZ 3.29Å |
| 202 | K | 44.1 | Very low | 51.2 | Low | 125 Ų | 125 | 132.3 Ų | 132.3 | 54% | 0.543 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -106.6 | -7.6 | -175.2 | -79.3 | 173.9 | 174.3 | 165.8 | 0 | 114.6 | E198 | E198-K202 IonicContact OE1-NZ 2.62Å; E198-K202 PolarHBondContact OE1-NZ 3.17Å |
| 203 | T | 44.4 | Very low | 53.6 | Low | 114 Ų | 114 | 128.3 Ų | 128.3 | 70% | 0.699 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -86.3 | -40.5 | -175.3 | -11.4 | 0 | 0 | 0 | 0 | 113.4 | K205 | T203-K205 VanDerWaalsContact C-N 3.32Å; T203-K205 PolarHBondContact O-N 3.32Å |
| 204 | A | 45.4 | Very low | 56.2 | Low | 76 Ų | 76 | 123.7 Ų | 123.7 | 63% | 0.628 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74.4 | -17.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S207 | A204-S207 PolarHBondContact O-OG 3.23Å |
| 205 | K | 49.1 | Very low | 58 | Low | 106 Ų | 106 | 120.5 Ų | 120.5 | 46% | 0.461 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -79.5 | -25.5 | 179 | -67.7 | 175.3 | -174.9 | 166.7 | 0 | 112.4 | E201 T203 Q209 | E201-K205 WeakPolarHBondContact OE1-CE 3.39Å; E201-K205 IonicContact OE1-NZ 3.7Å; E201-K205 PolarHBondContact OE1-NZ 3.29Å; T203-K205 VanDerWaalsContact C-N 3.32Å; T203-K205 PolarHBondContact O-N 3.32Å; K205-Q209 WeakPolarHBondContact O-CB 3.47Å; K205-Q209 VanDerWaalsContact O-CG 3.27Å; K205-Q209 WeakPolarHBondContact O-CG 3.34Å; K205-Q209 PolarHBondContact O-N 2.93Å |
| 206 | N | 55.7 | Low | 60.6 | Low | 97 Ų | 97 | 115.5 Ų | 115.5 | 52% | 0.519 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -75.4 | -40.4 | -177.4 | -71.9 | 4.7 | 0 | 0 | 0 | 112.5 | Q209 Q210 | N206-Q209 PolarHBondContact O-N 3.02Å; N206-Q210 VanDerWaalsContact O-CB 3.24Å; N206-Q210 WeakPolarHBondContact O-CB 3.43Å; N206-Q210 PolarHBondContact O-N 3.08Å |
| 207 | S | 60.4 | Low | 63.2 | Low | 61 Ų | 61 | 111.3 Ų | 111.3 | 43% | 0.427 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.5 | -44.4 | 179.2 | 51.6 | 0 | 0 | 0 | 0 | 112.5 | A204 Q210 Q211 | A204-S207 PolarHBondContact O-OG 3.23Å; S207-Q210 PolarHBondContact O-N 3.37Å; S207-Q211 PolarHBondContact O-N 3.3Å |
| 208 | D | 65.9 | Low | 65.6 | Low | 74 Ų | 74 | 109.1 Ų | 109.1 | 40% | 0.396 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 176.3 | -88.8 | 25.6 | 0 | 0 | 0 | 111.6 | H212 K238 | D208-H212 WeakPolarHBondContact O-CB 3.28Å; D208-H212 PolarHBondContact O-N 3.31Å; D208-K238 IonicContact OD2-NZ 2.61Å; D208-K238 PolarHBondContact OD2-NZ 3.23Å |
| 209 | Q | 72.6 | Confident | 67.9 | Low | 127 Ų | 127 | 102.3 Ų | 102.3 | 59% | 0.593 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66 | -40.4 | 176.5 | -76.1 | 177.3 | -10.6 | 0 | 0 | 111.9 | K205 N206 H212 E213 | K205-Q209 WeakPolarHBondContact O-CB 3.47Å; K205-Q209 VanDerWaalsContact O-CG 3.27Å; K205-Q209 WeakPolarHBondContact O-CG 3.34Å; K205-Q209 PolarHBondContact O-N 2.93Å; N206-Q209 PolarHBondContact O-N 3.02Å; Q209-H212 PolarHBondContact O-N 2.75Å; Q209-E213 WeakPolarHBondContact O-CB 3.49Å; Q209-E213 PolarHBondContact O-N 2.94Å |
| 210 | Q | 76.1 | Confident | 70.3 | Confident | 143 Ų | 143 | 96 Ų | 96 | 67% | 0.668 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.1 | -45.2 | 179.2 | -171.5 | 171.6 | -2.8 | 0 | 0 | 111.7 | N206 S207 H212 E213 E214 | N206-Q210 VanDerWaalsContact O-CB 3.24Å; N206-Q210 WeakPolarHBondContact O-CB 3.43Å; N206-Q210 PolarHBondContact O-N 3.08Å; S207-Q210 PolarHBondContact O-N 3.37Å; Q210-H212 VanDerWaalsContact C-N 3.34Å; Q210-H212 PolarHBondContact O-N 2.96Å; Q210-E213 PolarHBondContact O-N 3.05Å; Q210-E214 WeakPolarHBondContact O-CB 3.48Å; Q210-E214 PolarHBondContact O-N 3.04Å |
| 211 | Q | 79.7 | Confident | 72.7 | Confident | 141 Ų | 141 | 97.5 Ų | 97.5 | 66% | 0.659 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.7 | -38.9 | 173.2 | -72.8 | -168.1 | -6 | 0 | 0 | 112.3 | S207 E214 L215 | S207-Q211 PolarHBondContact O-N 3.3Å; Q211-E214 PolarHBondContact O-N 2.81Å; Q211-L215 VanDerWaalsContact O-CB 3.28Å; Q211-L215 WeakPolarHBondContact O-CB 3.17Å; Q211-L215 PolarHBondContact O-N 3.33Å |
| 212 | H | 83.2 | Confident | 75 | Confident | 73 Ų | 73 | 96.3 Ų | 96.3 | 34% | 0.338 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.6 | -35.5 | 177.7 | -172.8 | -84.9 | 0 | 0 | 0 | 112.3 | D208 Q209 Q210 R216 | D208-H212 WeakPolarHBondContact O-CB 3.28Å; D208-H212 PolarHBondContact O-N 3.31Å; Q209-H212 PolarHBondContact O-N 2.75Å; Q210-H212 VanDerWaalsContact C-N 3.34Å; Q210-H212 PolarHBondContact O-N 2.96Å; H212-R216 WeakPolarHBondContact O-CB 3.46Å; H212-R216 PolarHBondContact O-N 3.3Å |
| 213 | E | 85.6 | Confident | 77.2 | Confident | 99 Ų | 99 | 93 Ų | 93 | 46% | 0.463 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -75.5 | -36.8 | 174.4 | -164.9 | -177.4 | 142.7 | 0 | 0 | 112.4 | Q209 Q210 R216 K217 | Q209-E213 WeakPolarHBondContact O-CB 3.49Å; Q209-E213 PolarHBondContact O-N 2.94Å; Q210-E213 PolarHBondContact O-N 3.05Å; E213-R216 WeakPolarHBondContact O-CB 3.36Å; E213-R216 PolarHBondContact O-N 2.78Å; E213-K217 WeakPolarHBondContact O-CG 3.25Å; E213-K217 PolarHBondContact O-N 3.49Å; E213-K217 WeakPolarHBondContact OE1-CE 3.32Å; E213-K217 IonicContact OE1-NZ 2.63Å; E213-K217 PolarHBondContact OE1-NZ 3.33Å |
| 214 | E | 87.8 | Confident | 79.4 | Confident | 100 Ų | 100 | 89.7 Ų | 89.7 | 47% | 0.467 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 172.4 | -159.1 | -153 | 136.6 | 0 | 0 | 111.1 | Q210 Q211 R216 K217 R218 | Q210-E214 WeakPolarHBondContact O-CB 3.48Å; Q210-E214 PolarHBondContact O-N 3.04Å; Q211-E214 PolarHBondContact O-N 2.81Å; E214-R216 PolarHBondContact O-N 3.05Å; E214-K217 PolarHBondContact O-N 3.18Å; E214-R218 WeakPolarHBondContact O-CB 3.48Å; E214-R218 PolarHBondContact O-N 3.08Å; E214-R218 IonicContact OE1-CZ 3.55Å; E214-R218 IonicContact OE1-NE 2.7Å; E214-R218 IonicContact OE1-NH2 2.77Å; E214-R218 PolarHBondContact OE1-NH2 3.35Å |
| 215 | L | 88 | Confident | 81.5 | Confident | 35 Ų | 35 | 91.8 Ų | 91.8 | 18% | 0.183 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 172.3 | -178.3 | 59.8 | 0 | 0 | 0 | 111.2 | Q211 K217 R218 L219 L233 L241 I244 | Q211-L215 VanDerWaalsContact O-CB 3.28Å; Q211-L215 WeakPolarHBondContact O-CB 3.17Å; Q211-L215 PolarHBondContact O-N 3.33Å; L215-K217 PolarHBondContact O-N 3.07Å; L215-R218 PolarHBondContact O-N 2.73Å; L215-L219 HydrophobicContact CD1-CD1 4.18Å; L215-L219 HydrophobicContact CD1-CG 4.26Å; L215-L219 HydrophobicContact CG-CD1 4.05Å; L215-L219 WeakPolarHBondContact O-CB 3.36Å; L215-L219 VanDerWaalsContact O-CG 3.23Å; L215-L219 WeakPolarHBondContact O-CG 3.36Å; L215-L219 PolarHBondContact O-N 3.42Å; L215-L233 HydrophobicContact CD2-CD2 3.93Å; L215-L233 HydrophobicContact CG-CD2 4.31Å; L215-L241 HydrophobicContact CD2-CB 4.41Å; L215-I244 HydrophobicContact CD1-CG2 4.29Å; L215-I244 HydrophobicContact CD2-CG2 4.34Å |
| 216 | R | 91.1 | Very high | 83.4 | Confident | 91 Ų | 91 | 89.1 Ų | 89.1 | 34% | 0.343 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -56.3 | -50.3 | 173.2 | -174.1 | -176.5 | -176.1 | 152.2 | 12.6 | 111.5 | H212 E213 E214 L219 L220 V229 E230 L233 | H212-R216 WeakPolarHBondContact O-CB 3.46Å; H212-R216 PolarHBondContact O-N 3.3Å; E213-R216 WeakPolarHBondContact O-CB 3.36Å; E213-R216 PolarHBondContact O-N 2.78Å; E214-R216 PolarHBondContact O-N 3.05Å; R216-L219 PolarHBondContact O-N 3.03Å; R216-L220 HydrophobicContact CG-CD1 4.13Å; R216-L220 WeakPolarHBondContact O-CG 3.27Å; R216-L220 PolarHBondContact O-N 3.41Å; R216-V229 HydrophobicContact CB-CG1 4.46Å; R216-V229 HydrophobicContact CG-CG1 3.86Å; R216-E230 IonicContact CZ-OE2 3.22Å; R216-E230 IonicContact NH1-OE2 3.68Å; R216-E230 IonicContact NH2-OE2 3.71Å; R216-E230 PolarHBondContact NH2-OE2 2.89Å; R216-L233 HydrophobicContact CB-CD1 3.72Å; R216-L233 HydrophobicContact CG-CD1 4.01Å |
| 217 | K | 90.6 | Very high | 84.9 | Confident | 118 Ų | 118 | 87.3 Ų | 87.3 | 51% | 0.513 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.8 | -49.4 | 177.9 | -74.1 | 170.4 | -176.2 | 162.4 | 0 | 110.8 | E213 E214 L215 L219 L220 T221 | E213-K217 WeakPolarHBondContact O-CG 3.25Å; E213-K217 PolarHBondContact O-N 3.49Å; E213-K217 WeakPolarHBondContact OE1-CE 3.32Å; E213-K217 IonicContact OE1-NZ 2.63Å; E213-K217 PolarHBondContact OE1-NZ 3.33Å; E214-K217 PolarHBondContact O-N 3.18Å; L215-K217 PolarHBondContact O-N 3.07Å; K217-L219 VanDerWaalsContact C-N 3.33Å; K217-L219 PolarHBondContact O-N 2.79Å; K217-L220 PolarHBondContact O-N 2.65Å; K217-L220 VanDerWaalsContact O-N 3.15Å; K217-T221 PolarHBondContact O-N 3.19Å; K217-T221 PolarHBondContact O-OG1 3.02Å; K217-T221 VanDerWaalsContact O-OG1 3.07Å |
| 218 | R | 91.8 | Very high | 86.2 | Confident | 133 Ų | 133 | 84.6 Ų | 84.6 | 50% | 0.502 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.2 | -40.2 | 179.2 | -165.9 | -177.7 | -63.4 | -177.6 | -1.1 | 113 | E214 L215 K222 | E214-R218 WeakPolarHBondContact O-CB 3.48Å; E214-R218 PolarHBondContact O-N 3.08Å; E214-R218 IonicContact OE1-CZ 3.55Å; E214-R218 IonicContact OE1-NE 2.7Å; E214-R218 IonicContact OE1-NH2 2.77Å; E214-R218 PolarHBondContact OE1-NH2 3.35Å; L215-R218 PolarHBondContact O-N 2.73Å; R218-K222 WeakPolarHBondContact O-CG 3.44Å; R218-K222 PolarHBondContact O-N 3.38Å; R218-K222 VanDerWaalsContact O-N 3.17Å |
| 219 | L | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -70.6 | -38.6 | 176.8 | -67.5 | 168.2 | 0 | 0 | 0 | 112.4 | L215 R216 K217 K222 Y224 V229 I244 E245 M248 | L215-L219 HydrophobicContact CD1-CD1 4.18Å; L215-L219 HydrophobicContact CD1-CG 4.26Å; L215-L219 HydrophobicContact CG-CD1 4.05Å; L215-L219 WeakPolarHBondContact O-CB 3.36Å; L215-L219 VanDerWaalsContact O-CG 3.23Å; L215-L219 WeakPolarHBondContact O-CG 3.36Å; L215-L219 PolarHBondContact O-N 3.42Å; R216-L219 PolarHBondContact O-N 3.03Å; K217-L219 VanDerWaalsContact C-N 3.33Å; K217-L219 PolarHBondContact O-N 2.79Å; L219-K222 PolarHBondContact O-N 3.32Å; L219-Y224 HydrophobicContact CB-CD2 4.41Å; L219-Y224 HydrophobicContact CD2-CD2 4.13Å; L219-Y224 HydrophobicContact CD2-CE2 4.17Å; L219-Y224 WeakPolarHBondContact O-CD2 3.3Å; L219-Y224 PolarHBondContact O-N 3.26Å; L219-V229 HydrophobicContact CB-CG1 4.19Å; L219-V229 HydrophobicContact CB-CG2 3.85Å; L219-V229 HydrophobicContact CD1-CG1 4.16Å; L219-I244 HydrophobicContact CD1-CD1 4.05Å; L219-I244 HydrophobicContact CD1-CG1 4.47Å; L219-I244 HydrophobicContact CD1-CG2 4.07Å; L219-I244 HydrophobicContact CD2-CG2 4.34Å; L219-E245 HydrophobicContact CD2-CG 3.54Å; L219-M248 HydrophobicContact CB-CE 4.47Å; L219-M248 HydrophobicContact CD1-SD 3.88Å; L219-M248 HydrophobicContact CD2-CE 4.4Å; L219-M248 HydrophobicContact CD2-SD 3.93Å; L219-M248 HydrophobicContact CG-SD 4.41Å |
| 220 | L | 91.8 | Very high | 88.3 | Confident | 67 Ų | 67 | 78.9 Ų | 78.9 | 35% | 0.351 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 174.9 | -69.3 | 170.2 | 0 | 0 | 0 | 111.6 | R216 K217 K222 G223 A226 V229 | R216-L220 HydrophobicContact CG-CD1 4.13Å; R216-L220 WeakPolarHBondContact O-CG 3.27Å; R216-L220 PolarHBondContact O-N 3.41Å; K217-L220 PolarHBondContact O-N 2.65Å; K217-L220 VanDerWaalsContact O-N 3.15Å; L220-K222 PolarHBondContact O-N 3.5Å; L220-G223 PolarHBondContact O-N 3.29Å; L220-A226 HydrophobicContact CD2-CB 3.8Å; L220-V229 HydrophobicContact CD2-CG2 4.12Å; L220-V229 HydrophobicContact CG-CG2 4.47Å |
| 221 | T | 91.3 | Very high | 88.9 | Confident | 127 Ų | 127 | 75.2 Ų | 75.2 | 78% | 0.779 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.8 | -29.9 | 175.2 | -53.8 | 0 | 0 | 0 | 0 | 112.5 | K217 G223 | K217-T221 PolarHBondContact O-N 3.19Å; K217-T221 PolarHBondContact O-OG1 3.02Å; K217-T221 VanDerWaalsContact O-OG1 3.07Å; T221-G223 PolarHBondContact O-N 3Å |
| 222 | K | 89.7 | Confident | 89.4 | Confident | 115 Ų | 115 | 68.5 Ų | 68.5 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 0.5 | 170.9 | -78.9 | -178.7 | 170.5 | -175.5 | 0 | 114.4 | R218 L219 L220 Y224 E245 | R218-K222 WeakPolarHBondContact O-CG 3.44Å; R218-K222 PolarHBondContact O-N 3.38Å; R218-K222 VanDerWaalsContact O-N 3.17Å; L219-K222 PolarHBondContact O-N 3.32Å; L220-K222 PolarHBondContact O-N 3.5Å; K222-Y224 HydrophobicContact CB-CD2 3.91Å; K222-Y224 HydrophobicContact CB-CE2 4Å; K222-Y224 HydrophobicContact CD-CE2 4.36Å; K222-E245 IonicContact NZ-OE1 3.77Å; K222-E245 PolarHBondContact NZ-OE1 3.45Å; K222-E245 IonicContact NZ-OE2 2.97Å; K222-E245 PolarHBondContact NZ-OE2 2.82Å |
| 223 | G | 88.9 | Confident | 89.7 | Confident | 57 Ų | 57 | 65.6 Ų | 65.6 | 59% | 0.588 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 21.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L220 T221 | L220-G223 PolarHBondContact O-N 3.29Å; T221-G223 PolarHBondContact O-N 3Å |
| 224 | Y | 90.6 | Very high | 89.8 | Confident | 44 Ų | 44 | 70.2 Ų | 70.2 | 17% | 0.173 | 34% | 0.337 | C | S | . | . | trans | -77.3 | 143.2 | 168 | -68 | -75.7 | 0 | 0 | 0 | 110.7 | L219 K222 M248 | L219-Y224 HydrophobicContact CB-CD2 4.41Å; L219-Y224 HydrophobicContact CD2-CD2 4.13Å; L219-Y224 HydrophobicContact CD2-CE2 4.17Å; L219-Y224 WeakPolarHBondContact O-CD2 3.3Å; L219-Y224 PolarHBondContact O-N 3.26Å; K222-Y224 HydrophobicContact CB-CD2 3.91Å; K222-Y224 HydrophobicContact CB-CE2 4Å; K222-Y224 HydrophobicContact CD-CE2 4.36Å; Y224-M248 HydrophobicContact CD1-CB 4.31Å; Y224-M248 HydrophobicContact CD1-CE 3.66Å; Y224-M248 HydrophobicContact CD2-CE 3.83Å; Y224-M248 HydrophobicContact CE1-CB 4.15Å; Y224-M248 HydrophobicContact CE1-CE 4.38Å; Y224-M248 HydrophobicContact CG-CE 3.35Å | ||
| 225 | R | 89.9 | Confident | 89.7 | Confident | 119 Ų | 119 | 68.4 Ų | 68.4 | 45% | 0.449 | 33% | 0.334 | S | S | . | . | trans | -63.7 | 141.6 | 177.4 | -66.1 | 161.5 | 44.9 | 178.2 | 2.4 | 111.2 | D227 I228 V229 E255 | R225-D227 VanDerWaalsContact C-N 3.33Å; R225-D227 WeakPolarHBondContact CB-OD1 3.35Å; R225-D227 IonicContact CZ-OD1 3.97Å; R225-D227 IonicContact CZ-OD2 3.53Å; R225-D227 IonicContact NE-OD1 2.73Å; R225-D227 PolarHBondContact NE-OD1 3.08Å; R225-D227 IonicContact NE-OD2 2.81Å; R225-D227 IonicContact NH2-OD1 2.64Å; R225-D227 IonicContact NH2-OD2 2.75Å; R225-D227 PolarHBondContact NH2-OD2 3.22Å; R225-D227 PolarHBondContact O-N 3.45Å; R225-I228 HydrophobicContact CB-CB 4.39Å; R225-I228 HydrophobicContact CB-CD1 4.16Å; R225-I228 HydrophobicContact CB-CG1 4.08Å; R225-I228 HydrophobicContact CG-CD1 4.45Å; R225-I228 WeakPolarHBondContact O-CB 3.37Å; R225-I228 PolarHBondContact O-N 3.22Å; R225-V229 WeakPolarHBondContact O-CG2 3.33Å; R225-V229 PolarHBondContact O-N 2.91Å; R225-E255 IonicContact CZ-OE1 2.92Å; R225-E255 IonicContact NH1-OE1 3.28Å; R225-E255 PolarHBondContact NH1-OE1 2.79Å; R225-E255 IonicContact NH1-OE2 2.72Å; R225-E255 PolarHBondContact NH1-OE2 3.22Å; R225-E255 IonicContact NH2-OE1 3.95Å | ||
| 226 | A | 88.1 | Confident | 89.7 | Confident | 51 Ų | 51 | 67.3 Ų | 67.3 | 42% | 0.421 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.5 | -34.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L220 V229 E230 | L220-A226 HydrophobicContact CD2-CB 3.8Å; A226-V229 PolarHBondContact O-N 3.17Å; A226-E230 WeakPolarHBondContact O-CB 3.34Å; A226-E230 PolarHBondContact O-N 3.44Å |
| 227 | D | 88.2 | Confident | 89.5 | Confident | 58 Ų | 58 | 65.4 Ų | 65.4 | 31% | 0.31 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.9 | -37.9 | 176.2 | 67.5 | -45.9 | 0 | 0 | 0 | 112.2 | R225 K231 | R225-D227 VanDerWaalsContact C-N 3.33Å; R225-D227 WeakPolarHBondContact CB-OD1 3.35Å; R225-D227 IonicContact CZ-OD1 3.97Å; R225-D227 IonicContact CZ-OD2 3.53Å; R225-D227 IonicContact NE-OD1 2.73Å; R225-D227 PolarHBondContact NE-OD1 3.08Å; R225-D227 IonicContact NE-OD2 2.81Å; R225-D227 IonicContact NH2-OD1 2.64Å; R225-D227 IonicContact NH2-OD2 2.75Å; R225-D227 PolarHBondContact NH2-OD2 3.22Å; R225-D227 PolarHBondContact O-N 3.45Å; D227-K231 WeakPolarHBondContact O-CB 3.4Å; D227-K231 WeakPolarHBondContact O-CG 3.49Å; D227-K231 PolarHBondContact O-N 3.41Å |
| 228 | I | 88 | Confident | 89.2 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.1 | -46.9 | 173.5 | -61.8 | -175.9 | 0 | 0 | 0 | 110.6 | R225 A232 M248 I262 | R225-I228 HydrophobicContact CB-CB 4.39Å; R225-I228 HydrophobicContact CB-CD1 4.16Å; R225-I228 HydrophobicContact CB-CG1 4.08Å; R225-I228 HydrophobicContact CG-CD1 4.45Å; R225-I228 WeakPolarHBondContact O-CB 3.37Å; R225-I228 PolarHBondContact O-N 3.22Å; I228-A232 WeakPolarHBondContact O-CB 3.19Å; I228-A232 PolarHBondContact O-N 3.36Å; I228-M248 HydrophobicContact CG2-CB 4.08Å; I228-M248 HydrophobicContact CG2-CE 3.83Å; I228-M248 HydrophobicContact CG2-CG 3.91Å; I228-I262 HydrophobicContact CB-CD1 3.85Å; I228-I262 HydrophobicContact CD1-CD1 4.44Å; I228-I262 HydrophobicContact CG1-CD1 3.68Å; I228-I262 HydrophobicContact CG2-CD1 3.61Å |
| 229 | V | 91.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.9 | -48.8 | 177.9 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | R216 L219 L220 R225 A226 A232 L233 M248 | R216-V229 HydrophobicContact CB-CG1 4.46Å; R216-V229 HydrophobicContact CG-CG1 3.86Å; L219-V229 HydrophobicContact CB-CG1 4.19Å; L219-V229 HydrophobicContact CB-CG2 3.85Å; L219-V229 HydrophobicContact CD1-CG1 4.16Å; L220-V229 HydrophobicContact CD2-CG2 4.12Å; L220-V229 HydrophobicContact CG-CG2 4.47Å; R225-V229 WeakPolarHBondContact O-CG2 3.33Å; R225-V229 PolarHBondContact O-N 2.91Å; A226-V229 PolarHBondContact O-N 3.17Å; V229-A232 PolarHBondContact O-N 3.13Å; V229-L233 HydrophobicContact CG1-CD1 3.68Å; V229-L233 HydrophobicContact CG1-CG 4.38Å; V229-L233 WeakPolarHBondContact O-CB 3.37Å; V229-L233 VanDerWaalsContact O-CG 3.28Å; V229-L233 WeakPolarHBondContact O-CG 3.45Å; V229-L233 PolarHBondContact O-N 3.42Å; V229-M248 HydrophobicContact CB-CE 4.27Å; V229-M248 HydrophobicContact CG2-CE 3.41Å; V229-M248 VanDerWaalsContact CG2-CE 3.41Å |
| 230 | E | 90.5 | Very high | 88.6 | Confident | 82 Ų | 82 | 67.2 Ų | 67.2 | 38% | 0.383 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.3 | -40.6 | -175.5 | -170.4 | 167.6 | 144.2 | 0 | 0 | 112.6 | R216 A226 R234 | R216-E230 IonicContact CZ-OE2 3.22Å; R216-E230 IonicContact NH1-OE2 3.68Å; R216-E230 IonicContact NH2-OE2 3.71Å; R216-E230 PolarHBondContact NH2-OE2 2.89Å; A226-E230 WeakPolarHBondContact O-CB 3.34Å; A226-E230 PolarHBondContact O-N 3.44Å; E230-R234 WeakPolarHBondContact O-CB 3.28Å; E230-R234 PolarHBondContact O-N 2.84Å |
| 231 | K | 89.1 | Confident | 88.4 | Confident | 66 Ų | 66 | 65.6 Ų | 65.6 | 29% | 0.287 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.9 | -43.7 | 174 | -72.2 | 175.4 | -178.5 | 179.1 | 0 | 112 | D227 L233 R234 C235 I262 D263 L266 | D227-K231 WeakPolarHBondContact O-CB 3.4Å; D227-K231 WeakPolarHBondContact O-CG 3.49Å; D227-K231 PolarHBondContact O-N 3.41Å; K231-L233 PolarHBondContact O-N 2.92Å; K231-R234 PolarHBondContact O-N 3.15Å; K231-C235 VanDerWaalsContact O-CB 3.31Å; K231-C235 WeakPolarHBondContact O-CB 3.4Å; K231-C235 PolarHBondContact O-N 3.01Å; K231-C235 PolarHBondContact O-SG 2.91Å; K231-I262 HydrophobicContact CD-CG2 3.91Å; K231-D263 WeakPolarHBondContact CD-OD1 3.35Å; K231-D263 WeakPolarHBondContact CE-OD1 3.33Å; K231-D263 IonicContact NZ-OD1 2.98Å; K231-D263 PolarHBondContact NZ-OD1 2.89Å; K231-D263 IonicContact NZ-OD2 3.34Å; K231-D263 PolarHBondContact NZ-OD2 2.92Å; K231-L266 HydrophobicContact CB-CD2 4.14Å |
| 232 | A | 89.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.5 | -48 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I228 V229 C235 L236 I244 M248 L266 | I228-A232 WeakPolarHBondContact O-CB 3.19Å; I228-A232 PolarHBondContact O-N 3.36Å; V229-A232 PolarHBondContact O-N 3.13Å; A232-C235 PolarHBondContact O-N 3.39Å; A232-L236 WeakPolarHBondContact O-CB 3.5Å; A232-L236 PolarHBondContact O-N 2.73Å; A232-I244 HydrophobicContact CB-CD1 3.87Å; A232-I244 HydrophobicContact CB-CG1 3.92Å; A232-M248 HydrophobicContact CB-CG 3.8Å; A232-M248 HydrophobicContact CB-SD 4.26Å; A232-L266 HydrophobicContact CB-CD2 4.46Å |
| 233 | L | 89.7 | Confident | 88.3 | Confident | 12 Ų | 12 | 62.4 Ų | 62.4 | 6% | 0.063 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 178.4 | -75.3 | 173 | 0 | 0 | 0 | 113.3 | L215 R216 V229 K231 L241 I244 | L215-L233 HydrophobicContact CD2-CD2 3.93Å; L215-L233 HydrophobicContact CG-CD2 4.31Å; R216-L233 HydrophobicContact CB-CD1 3.72Å; R216-L233 HydrophobicContact CG-CD1 4.01Å; V229-L233 HydrophobicContact CG1-CD1 3.68Å; V229-L233 HydrophobicContact CG1-CG 4.38Å; V229-L233 WeakPolarHBondContact O-CB 3.37Å; V229-L233 VanDerWaalsContact O-CG 3.28Å; V229-L233 WeakPolarHBondContact O-CG 3.45Å; V229-L233 PolarHBondContact O-N 3.42Å; K231-L233 PolarHBondContact O-N 2.92Å; L233-L241 HydrophobicContact CD2-CD2 4.16Å; L233-I244 HydrophobicContact CD2-CD1 3.52Å; L233-I244 HydrophobicContact CG-CD1 3.83Å |
| 234 | R | 88.4 | Confident | 88.4 | Confident | 196 Ų | 196 | 59.9 Ų | 59.9 | 74% | 0.74 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -70.1 | -35.1 | 177.8 | 177 | 178.7 | -95 | 142.4 | -5.8 | 112.9 | E230 K231 | E230-R234 WeakPolarHBondContact O-CB 3.28Å; E230-R234 PolarHBondContact O-N 2.84Å; K231-R234 PolarHBondContact O-N 3.15Å |
| 235 | C | 86.3 | Confident | 88.5 | Confident | 62 Ų | 62 | 60.2 Ų | 60.2 | 42% | 0.419 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -100.8 | -23.6 | -170.3 | -62.3 | 0 | 0 | 0 | 0 | 114.8 | K231 A232 L266 I270 | K231-C235 VanDerWaalsContact O-CB 3.31Å; K231-C235 WeakPolarHBondContact O-CB 3.4Å; K231-C235 PolarHBondContact O-N 3.01Å; K231-C235 PolarHBondContact O-SG 2.91Å; A232-C235 PolarHBondContact O-N 3.39Å; C235-L266 HydrophobicContact CB-CD2 4.13Å; C235-I270 HydrophobicContact CB-CD1 3.92Å; C235-I270 WeakPolarHBondContact O-CD1 3.36Å |
| 236 | L | 87.9 | Confident | 88.7 | Confident | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -71.4 | 136 | 177.1 | -106.5 | 70 | 0 | 0 | 0 | 111.5 | A232 R240 L241 I244 Y247 L266 I270 | A232-L236 WeakPolarHBondContact O-CB 3.5Å; A232-L236 PolarHBondContact O-N 2.73Å; L236-R240 HydrophobicContact CD2-CB 4.1Å; L236-R240 WeakPolarHBondContact CD2-O 3.22Å; L236-R240 HydrophobicContact CG-CB 4.36Å; L236-L241 HydrophobicContact CB-CD2 3.91Å; L236-L241 HydrophobicContact CD2-CD2 4.44Å; L236-I244 HydrophobicContact CD2-CB 4.01Å; L236-I244 HydrophobicContact CD2-CG1 4.08Å; L236-Y247 HydrophobicContact CD1-CD1 4.12Å; L236-Y247 HydrophobicContact CD1-CG 4.12Å; L236-Y247 HydrophobicContact CD2-CD2 4.06Å; L236-Y247 HydrophobicContact CD2-CG 4.26Å; L236-L266 HydrophobicContact CD1-CD1 3.77Å; L236-I270 HydrophobicContact CD1-CD1 4.04Å; L236-I270 HydrophobicContact CD1-CG1 4.05Å |
| 237 | P | 86.7 | Confident | 88.9 | Confident | 51 Ų | 51 | 55.6 Ų | 55.6 | 33% | 0.331 | 28% | 0.277 | S | S | . | . | trans | -58.5 | 141.9 | 164.1 | -21.8 | 33 | 0 | 0 | 0 | 111.1 | S239 R240 L241 | P237-S239 PolarHBondContact O-N 3.23Å; P237-S239 VanDerWaalsContact O-N 3.09Å; P237-R240 PolarHBondContact O-N 2.83Å; P237-L241 PolarHBondContact O-N 2.64Å | ||
| 238 | K | 85.1 | Confident | 89.2 | Confident | 148 Ų | 148 | 52.9 Ų | 52.9 | 64% | 0.643 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -49.1 | -40.9 | 179.7 | -71.1 | -171 | 177.9 | -176.1 | 0 | 113.2 | D208 R240 L241 | D208-K238 IonicContact OD2-NZ 2.61Å; D208-K238 PolarHBondContact OD2-NZ 3.23Å; K238-R240 PolarHBondContact O-N 3.03Å; K238-R240 VanDerWaalsContact O-N 3.15Å; K238-L241 HydrophobicContact CB-CD1 4.49Å; K238-L241 HydrophobicContact CG-CD1 4.49Å; K238-L241 WeakPolarHBondContact O-CB 3.27Å; K238-L241 PolarHBondContact O-N 3.47Å |
| 239 | S | 84.8 | Confident | 89.5 | Confident | 100 Ų | 100 | 57.9 Ų | 57.9 | 70% | 0.699 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -61.4 | -18.9 | 178 | 53.2 | 0 | 0 | 0 | 0 | 114.8 | P237 | P237-S239 PolarHBondContact O-N 3.23Å; P237-S239 VanDerWaalsContact O-N 3.09Å |
| 240 | R | 84.9 | Confident | 89.6 | Confident | 41 Ų | 41 | 57.9 Ų | 57.9 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -104.7 | -2.8 | 179 | -57.2 | -165.9 | -165.9 | 158.3 | 11.8 | 114 | L236 P237 K238 V242 H243 I244 Y247 I270 N273 | L236-R240 HydrophobicContact CD2-CB 4.1Å; L236-R240 WeakPolarHBondContact CD2-O 3.22Å; L236-R240 HydrophobicContact CG-CB 4.36Å; P237-R240 PolarHBondContact O-N 2.83Å; K238-R240 PolarHBondContact O-N 3.03Å; K238-R240 VanDerWaalsContact O-N 3.15Å; R240-V242 PolarHBondContact O-N 3.29Å; R240-V242 VanDerWaalsContact O-N 3.15Å; R240-H243 WeakPolarHBondContact O-CA 3.24Å; R240-H243 PolarHBondContact O-N 2.66Å; R240-I244 PolarHBondContact O-N 3.31Å; R240-Y247 WeakPolarHBondContact CD-OH 3.38Å; R240-Y247 PolarHBondContact NH1-OH 3.23Å; R240-I270 PolarHBondContact NH1-O 3.46Å; R240-N273 PolarHBondContact NH2-OD1 3.16Å |
| 241 | L | 87.3 | Confident | 89.7 | Confident | 33 Ų | 33 | 54 Ų | 54 | 17% | 0.173 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -59.5 | -26.8 | 179 | -68.7 | 175.6 | 0 | 0 | 0 | 112.4 | L215 L233 L236 P237 K238 H243 I244 | L215-L241 HydrophobicContact CD2-CB 4.41Å; L233-L241 HydrophobicContact CD2-CD2 4.16Å; L236-L241 HydrophobicContact CB-CD2 3.91Å; L236-L241 HydrophobicContact CD2-CD2 4.44Å; P237-L241 PolarHBondContact O-N 2.64Å; K238-L241 HydrophobicContact CB-CD1 4.49Å; K238-L241 HydrophobicContact CG-CD1 4.49Å; K238-L241 WeakPolarHBondContact O-CB 3.27Å; K238-L241 PolarHBondContact O-N 3.47Å; L241-H243 PolarHBondContact O-N 2.93Å; L241-H243 VanDerWaalsContact O-N 3.14Å; L241-I244 HydrophobicContact CD2-CD1 3.98Å; L241-I244 WeakPolarHBondContact O-CB 3.34Å; L241-I244 WeakPolarHBondContact O-CG2 3.35Å; L241-I244 PolarHBondContact O-N 2.97Å; L241-I244 VanDerWaalsContact O-N 3.09Å |
| 242 | V | 88.4 | Confident | 89.9 | Confident | 123 Ų | 123 | 57.2 Ų | 57.2 | 75% | 0.745 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -55.4 | -27.5 | 170.5 | -172.5 | 0 | 0 | 0 | 0 | 112.6 | R240 | R240-V242 PolarHBondContact O-N 3.29Å; R240-V242 VanDerWaalsContact O-N 3.15Å |
| 243 | H | 90.6 | Very high | 90.1 | Very high | 52 Ų | 52 | 58.6 Ų | 58.6 | 24% | 0.241 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -108.3 | 9.9 | -178.3 | -54.7 | -42.9 | 0 | 0 | 0 | 113.2 | R240 L241 E245 Y246 Y247 S275 I280 | R240-H243 WeakPolarHBondContact O-CA 3.24Å; R240-H243 PolarHBondContact O-N 2.66Å; L241-H243 PolarHBondContact O-N 2.93Å; L241-H243 VanDerWaalsContact O-N 3.14Å; H243-E245 VanDerWaalsContact C-N 3.25Å; H243-E245 PolarHBondContact O-N 3.07Å; H243-E245 VanDerWaalsContact O-N 3.17Å; H243-Y246 HydrophobicContact CB-CD2 4Å; H243-Y246 WeakPolarHBondContact O-CB 3.22Å; H243-Y246 PolarHBondContact O-N 3.23Å; H243-Y247 HydrophobicContact CB-CD2 4.32Å; H243-Y247 HydrophobicContact CB-CE2 4.34Å; H243-Y247 PolarHBondContact O-N 3.42Å; H243-S275 PolarHBondContact CD2-O 3.14Å; H243-S275 PolarHBondContact NE2-O 2.9Å; H243-I280 HydrophobicContact CB-CD1 4.2Å |
| 244 | I | 91.9 | Very high | 90.2 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -54.4 | -39 | -174.3 | -167.4 | 166.6 | 0 | 0 | 0 | 113 | L215 L219 A232 L233 L236 R240 L241 Y246 Y247 M248 | L215-I244 HydrophobicContact CD1-CG2 4.29Å; L215-I244 HydrophobicContact CD2-CG2 4.34Å; L219-I244 HydrophobicContact CD1-CD1 4.05Å; L219-I244 HydrophobicContact CD1-CG1 4.47Å; L219-I244 HydrophobicContact CD1-CG2 4.07Å; L219-I244 HydrophobicContact CD2-CG2 4.34Å; A232-I244 HydrophobicContact CB-CD1 3.87Å; A232-I244 HydrophobicContact CB-CG1 3.92Å; L233-I244 HydrophobicContact CD2-CD1 3.52Å; L233-I244 HydrophobicContact CG-CD1 3.83Å; L236-I244 HydrophobicContact CD2-CB 4.01Å; L236-I244 HydrophobicContact CD2-CG1 4.08Å; R240-I244 PolarHBondContact O-N 3.31Å; L241-I244 HydrophobicContact CD2-CD1 3.98Å; L241-I244 WeakPolarHBondContact O-CB 3.34Å; L241-I244 WeakPolarHBondContact O-CG2 3.35Å; L241-I244 PolarHBondContact O-N 2.97Å; L241-I244 VanDerWaalsContact O-N 3.09Å; I244-Y246 PolarHBondContact O-N 2.83Å; I244-Y247 PolarHBondContact O-N 2.94Å; I244-M248 HydrophobicContact CD1-SD 4.44Å; I244-M248 HydrophobicContact CG1-CG 4.22Å; I244-M248 HydrophobicContact CG1-SD 3.88Å; I244-M248 WeakPolarHBondContact O-CB 3.48Å; I244-M248 VanDerWaalsContact O-CG 3.27Å; I244-M248 WeakPolarHBondContact O-CG 3.33Å; I244-M248 PolarHBondContact O-N 2.82Å |
| 245 | E | 92.5 | Very high | 90.3 | Very high | 52 Ų | 52 | 51 Ų | 51 | 24% | 0.243 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.4 | -33.9 | 177.4 | -69 | -170.8 | -150.5 | 0 | 0 | 112.5 | L219 K222 H243 K249 | L219-E245 HydrophobicContact CD2-CG 3.54Å; K222-E245 IonicContact NZ-OE1 3.77Å; K222-E245 PolarHBondContact NZ-OE1 3.45Å; K222-E245 IonicContact NZ-OE2 2.97Å; K222-E245 PolarHBondContact NZ-OE2 2.82Å; H243-E245 VanDerWaalsContact C-N 3.25Å; H243-E245 PolarHBondContact O-N 3.07Å; H243-E245 VanDerWaalsContact O-N 3.17Å; E245-K249 VanDerWaalsContact O-CB 3.24Å; E245-K249 WeakPolarHBondContact O-CB 3.14Å; E245-K249 PolarHBondContact O-N 3.27Å |
| 246 | Y | 94.1 | Very high | 90.6 | Very high | 73 Ų | 73 | 55.8 Ų | 55.8 | 29% | 0.286 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -76 | -40.1 | 178.2 | -50.1 | -39.6 | 0 | 0 | 0 | 111.3 | H243 I244 K249 A250 K277 | H243-Y246 HydrophobicContact CB-CD2 4Å; H243-Y246 WeakPolarHBondContact O-CB 3.22Å; H243-Y246 PolarHBondContact O-N 3.23Å; I244-Y246 PolarHBondContact O-N 2.83Å; Y246-K249 PolarHBondContact O-N 3.08Å; Y246-A250 WeakPolarHBondContact O-CB 3.47Å; Y246-A250 PolarHBondContact O-N 3.48Å; Y246-K277 HydrophobicContact CD1-CD 4.49Å; Y246-K277 HydrophobicContact CD1-CG 3.94Å; Y246-K277 HydrophobicContact CD2-CB 3.65Å; Y246-K277 HydrophobicContact CD2-CG 3.75Å; Y246-K277 HydrophobicContact CE1-CD 3.94Å; Y246-K277 HydrophobicContact CE1-CG 3.88Å; Y246-K277 HydrophobicContact CE2-CB 3.63Å; Y246-K277 HydrophobicContact CE2-CD 3.92Å; Y246-K277 HydrophobicContact CE2-CG 3.66Å; Y246-K277 HydrophobicContact CG-CB 4.23Å; Y246-K277 HydrophobicContact CG-CG 3.9Å |
| 247 | Y | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61 | -43.3 | 171.5 | -83.1 | -94.6 | 0 | 0 | 0 | 111.9 | L236 R240 H243 I244 A250 C251 L266 L269 I270 L274 I280 | L236-Y247 HydrophobicContact CD1-CD1 4.12Å; L236-Y247 HydrophobicContact CD1-CG 4.12Å; L236-Y247 HydrophobicContact CD2-CD2 4.06Å; L236-Y247 HydrophobicContact CD2-CG 4.26Å; R240-Y247 WeakPolarHBondContact CD-OH 3.38Å; R240-Y247 PolarHBondContact NH1-OH 3.23Å; H243-Y247 HydrophobicContact CB-CD2 4.32Å; H243-Y247 HydrophobicContact CB-CE2 4.34Å; H243-Y247 PolarHBondContact O-N 3.42Å; I244-Y247 PolarHBondContact O-N 2.94Å; Y247-A250 PolarHBondContact O-N 3.11Å; Y247-C251 PolarHBondContact O-N 3.18Å; Y247-C251 PolarHBondContact O-SG 2.8Å; Y247-L266 HydrophobicContact CD1-CD1 4.35Å; Y247-L269 HydrophobicContact CD1-CB 3.82Å; Y247-L269 HydrophobicContact CD1-CD1 4.5Å; Y247-L269 HydrophobicContact CE1-CB 3.77Å; Y247-I270 HydrophobicContact CE1-CG1 4.17Å; Y247-L274 PolarHBondContact OH-O 2.9Å; Y247-I280 HydrophobicContact CD2-CD1 3.87Å; Y247-I280 HydrophobicContact CD2-CG2 4.49Å; Y247-I280 HydrophobicContact CE2-CD1 3.49Å; Y247-I280 VanDerWaalsContact CE2-CD1 3.49Å; Y247-I280 HydrophobicContact CE2-CG1 4.13Å |
| 248 | M | 93.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.2 | -41.4 | 176.7 | -68.3 | 170.8 | 67.8 | 0 | 0 | 112.4 | L219 Y224 I228 V229 A232 I244 C251 R252 | L219-M248 HydrophobicContact CB-CE 4.47Å; L219-M248 HydrophobicContact CD1-SD 3.88Å; L219-M248 HydrophobicContact CD2-CE 4.4Å; L219-M248 HydrophobicContact CD2-SD 3.93Å; L219-M248 HydrophobicContact CG-SD 4.41Å; Y224-M248 HydrophobicContact CD1-CB 4.31Å; Y224-M248 HydrophobicContact CD1-CE 3.66Å; Y224-M248 HydrophobicContact CD2-CE 3.83Å; Y224-M248 HydrophobicContact CE1-CB 4.15Å; Y224-M248 HydrophobicContact CE1-CE 4.38Å; Y224-M248 HydrophobicContact CG-CE 3.35Å; I228-M248 HydrophobicContact CG2-CB 4.08Å; I228-M248 HydrophobicContact CG2-CE 3.83Å; I228-M248 HydrophobicContact CG2-CG 3.91Å; V229-M248 HydrophobicContact CB-CE 4.27Å; V229-M248 HydrophobicContact CG2-CE 3.41Å; V229-M248 VanDerWaalsContact CG2-CE 3.41Å; A232-M248 HydrophobicContact CB-CG 3.8Å; A232-M248 HydrophobicContact CB-SD 4.26Å; I244-M248 HydrophobicContact CD1-SD 4.44Å; I244-M248 HydrophobicContact CG1-CG 4.22Å; I244-M248 HydrophobicContact CG1-SD 3.88Å; I244-M248 WeakPolarHBondContact O-CB 3.48Å; I244-M248 VanDerWaalsContact O-CG 3.27Å; I244-M248 WeakPolarHBondContact O-CG 3.33Å; I244-M248 PolarHBondContact O-N 2.82Å; M248-C251 PolarHBondContact O-N 3.24Å; M248-R252 PolarHBondContact O-N 3.12Å |
| 249 | K | 93.9 | Very high | 90.4 | Very high | 108 Ų | 108 | 55.3 Ų | 55.3 | 47% | 0.47 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 174 | -175.4 | 175.4 | 176.3 | -173.7 | 0 | 111.3 | E245 Y246 R252 T253 L281 | E245-K249 VanDerWaalsContact O-CB 3.24Å; E245-K249 WeakPolarHBondContact O-CB 3.14Å; E245-K249 PolarHBondContact O-N 3.27Å; Y246-K249 PolarHBondContact O-N 3.08Å; K249-R252 PolarHBondContact O-N 2.98Å; K249-T253 PolarHBondContact O-N 3.13Å; K249-T253 PolarHBondContact O-OG1 3.42Å; K249-T253 VanDerWaalsContact O-OG1 3.14Å; K249-L281 HydrophobicContact CB-CD2 4.12Å; K249-L281 HydrophobicContact CD-CD2 3.86Å; K249-L281 HydrophobicContact CG-CD2 3.93Å |
| 250 | A | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.5 | -47.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y246 Y247 R252 T253 V254 L269 I280 S284 | Y246-A250 WeakPolarHBondContact O-CB 3.47Å; Y246-A250 PolarHBondContact O-N 3.48Å; Y247-A250 PolarHBondContact O-N 3.11Å; A250-R252 VanDerWaalsContact C-N 3.3Å; A250-R252 PolarHBondContact O-N 3.1Å; A250-T253 WeakPolarHBondContact O-CB 3.48Å; A250-T253 PolarHBondContact O-N 3.21Å; A250-T253 VanDerWaalsContact O-N 3.15Å; A250-V254 PolarHBondContact O-N 3.26Å; A250-V254 VanDerWaalsContact O-N 3.13Å; A250-L269 HydrophobicContact CB-CD1 3.63Å; A250-I280 HydrophobicContact CB-CG2 3.87Å; A250-S284 VanDerWaalsContact CA-CB 3.44Å; A250-S284 VanDerWaalsContact CB-CB 3.43Å |
| 251 | C | 93.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.8 | -44.4 | 174.1 | -67 | 0 | 0 | 0 | 0 | 111.5 | Y247 M248 T253 V254 E255 I262 | Y247-C251 PolarHBondContact O-N 3.18Å; Y247-C251 PolarHBondContact O-SG 2.8Å; M248-C251 PolarHBondContact O-N 3.24Å; C251-T253 PolarHBondContact O-N 2.81Å; C251-V254 PolarHBondContact O-N 2.72Å; C251-E255 VanDerWaalsContact O-CB 3.27Å; C251-E255 WeakPolarHBondContact O-CB 3.43Å; C251-E255 PolarHBondContact O-N 2.99Å; C251-I262 HydrophobicContact CB-CD1 3.94Å; C251-I262 HydrophobicContact CB-CG1 4.07Å |
| 252 | R | 91.9 | Very high | 90.7 | Very high | 132 Ų | 132 | 49.7 Ų | 49.7 | 50% | 0.498 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.1 | -35.2 | 177.1 | -166.7 | 178.6 | -175.9 | -176.5 | 2.6 | 113.1 | M248 K249 A250 V254 K256 | M248-R252 PolarHBondContact O-N 3.12Å; K249-R252 PolarHBondContact O-N 2.98Å; A250-R252 VanDerWaalsContact C-N 3.3Å; A250-R252 PolarHBondContact O-N 3.1Å; R252-V254 VanDerWaalsContact C-N 3.33Å; R252-K256 WeakPolarHBondContact O-CB 3.45Å; R252-K256 VanDerWaalsContact O-CG 3.22Å; R252-K256 WeakPolarHBondContact O-CG 3.3Å; R252-K256 PolarHBondContact O-N 3.31Å |
| 253 | T | 93.3 | Very high | 90.7 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 18% | 0.184 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.3 | -36.6 | 176 | -64.5 | 0 | 0 | 0 | 0 | 112.3 | K249 A250 C251 E285 S288 | K249-T253 PolarHBondContact O-N 3.13Å; K249-T253 PolarHBondContact O-OG1 3.42Å; K249-T253 VanDerWaalsContact O-OG1 3.14Å; A250-T253 WeakPolarHBondContact O-CB 3.48Å; A250-T253 PolarHBondContact O-N 3.21Å; A250-T253 VanDerWaalsContact O-N 3.15Å; C251-T253 PolarHBondContact O-N 2.81Å; T253-E285 HydrophobicContact CG2-CG 4.22Å; T253-S288 PolarHBondContact O-OG 3.05Å; T253-S288 VanDerWaalsContact O-OG 3.11Å |
| 254 | V | 92.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -79.2 | -45 | 177.2 | 170 | 0 | 0 | 0 | 0 | 111.2 | A250 C251 R252 K256 T257 T265 S284 C287 L291 | A250-V254 PolarHBondContact O-N 3.26Å; A250-V254 VanDerWaalsContact O-N 3.13Å; C251-V254 PolarHBondContact O-N 2.72Å; R252-V254 VanDerWaalsContact C-N 3.33Å; V254-K256 VanDerWaalsContact C-N 3.26Å; V254-K256 PolarHBondContact O-N 2.91Å; V254-T257 WeakPolarHBondContact O-CB 3.2Å; V254-T257 WeakPolarHBondContact O-CG2 3.28Å; V254-T257 PolarHBondContact O-N 2.98Å; V254-T257 PolarHBondContact O-OG1 3Å; V254-T265 HydrophobicContact CB-CG2 3.75Å; V254-T265 HydrophobicContact CG1-CG2 3.69Å; V254-T265 WeakPolarHBondContact CG1-OG1 3.14Å; V254-T265 HydrophobicContact CG2-CG2 3.95Å; V254-S284 WeakPolarHBondContact CG2-O 3.14Å; V254-C287 HydrophobicContact CG2-CB 3.88Å; V254-L291 HydrophobicContact CG1-CD1 3.75Å |
| 255 | E | 91.6 | Very high | 90.6 | Very high | 48 Ų | 48 | 49 Ų | 49 | 22% | 0.224 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.3 | -35.5 | 177.5 | -173.3 | -176.9 | -140.8 | 0 | 0 | 112.1 | R225 C251 T257 G258 | R225-E255 IonicContact CZ-OE1 2.92Å; R225-E255 IonicContact NH1-OE1 3.28Å; R225-E255 PolarHBondContact NH1-OE1 2.79Å; R225-E255 IonicContact NH1-OE2 2.72Å; R225-E255 PolarHBondContact NH1-OE2 3.22Å; R225-E255 IonicContact NH2-OE1 3.95Å; C251-E255 VanDerWaalsContact O-CB 3.27Å; C251-E255 WeakPolarHBondContact O-CB 3.43Å; C251-E255 PolarHBondContact O-N 2.99Å; E255-T257 PolarHBondContact O-N 2.87Å; E255-G258 PolarHBondContact O-N 2.96Å |
| 256 | K | 91.8 | Very high | 90.5 | Very high | 162 Ų | 162 | 46.7 Ų | 46.7 | 70% | 0.704 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -16.3 | 172.7 | -87.4 | 177.1 | 176.3 | -169.7 | 0 | 115.1 | R252 V254 G258 | R252-K256 WeakPolarHBondContact O-CB 3.45Å; R252-K256 VanDerWaalsContact O-CG 3.22Å; R252-K256 WeakPolarHBondContact O-CG 3.3Å; R252-K256 PolarHBondContact O-N 3.31Å; V254-K256 VanDerWaalsContact C-N 3.26Å; V254-K256 PolarHBondContact O-N 2.91Å; K256-G258 VanDerWaalsContact C-N 3.29Å |
| 257 | T | 88.2 | Confident | 90.4 | Very high | 26 Ų | 26 | 46.2 Ų | 46.2 | 16% | 0.16 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -16.2 | 173.8 | 65.9 | 0 | 0 | 0 | 0 | 113.4 | V254 E255 K259 S288 L291 K292 | V254-T257 WeakPolarHBondContact O-CB 3.2Å; V254-T257 WeakPolarHBondContact O-CG2 3.28Å; V254-T257 PolarHBondContact O-N 2.98Å; V254-T257 PolarHBondContact O-OG1 3Å; E255-T257 PolarHBondContact O-N 2.87Å; T257-K259 PolarHBondContact O-N 3.26Å; T257-K259 PolarHBondContact OG1-N 2.92Å; T257-S288 VanDerWaalsContact CG2-OG 3.25Å; T257-S288 WeakPolarHBondContact CG2-OG 3.48Å; T257-L291 HydrophobicContact CG2-CB 4.06Å; T257-L291 HydrophobicContact CG2-CD1 4.38Å; T257-K292 HydrophobicContact CG2-CG 4.39Å |
| 258 | G | 83 | Confident | 90.4 | Very high | 73 Ų | 73 | 46.7 Ų | 46.7 | 75% | 0.753 | 24% | 0.244 | S | C | * | . | S | Bend | trans | 70.7 | -0.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E255 K256 | E255-G258 PolarHBondContact O-N 2.96Å; K256-G258 VanDerWaalsContact C-N 3.29Å |
| 259 | K | 84.4 | Confident | 90.3 | Very high | 102 Ų | 102 | 46.7 Ų | 46.7 | 44% | 0.443 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -109.4 | 2.5 | -171.4 | -64.3 | -180 | -174.2 | -175 | 0 | 114.6 | T257 L291 K292 | T257-K259 PolarHBondContact O-N 3.26Å; T257-K259 PolarHBondContact OG1-N 2.92Å; K259-L291 HydrophobicContact CB-CB 4.42Å; K259-L291 HydrophobicContact CB-CD2 3.93Å; K259-L291 HydrophobicContact CD-CB 4.46Å; K259-L291 WeakPolarHBondContact CD-O 3.37Å; K259-L291 WeakPolarHBondContact CE-O 3.37Å; K259-L291 PolarHBondContact NZ-O 2.89Å; K259-K292 PolarHBondContact NZ-O 3.49Å |
| 260 | S | 86.9 | Confident | 90.2 | Very high | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.063 | 23% | 0.229 | C | C | . | . | trans | -151.5 | 137.5 | 179.9 | -174.8 | 0 | 0 | 0 | 0 | 111.1 | T265 R297 F301 | S260-T265 PolarHBondContact OG-OG1 3.42Å; S260-R297 VanDerWaalsContact OG-CD 3.28Å; S260-R297 WeakPolarHBondContact OG-CD 3.48Å; S260-F301 WeakPolarHBondContact OG-CZ 3.27Å | ||
| 261 | S | 88.8 | Confident | 90.1 | Very high | 40 Ų | 40 | 50.3 Ų | 50.3 | 28% | 0.28 | 26% | 0.263 | S | S | . | . | trans | -87.6 | 164.7 | 178 | 70.8 | 0 | 0 | 0 | 0 | 111.9 | D263 E264 T265 | S261-D263 VanDerWaalsContact C-N 3.32Å; S261-E264 PolarHBondContact N-OE2 2.99Å; S261-E264 WeakPolarHBondContact OG-CG 3.19Å; S261-E264 PolarHBondContact OG-OE2 3.26Å; S261-T265 WeakPolarHBondContact O-CB 3.28Å; S261-T265 PolarHBondContact O-N 3.3Å; S261-T265 VanDerWaalsContact O-N 3.1Å; S261-T265 PolarHBondContact O-OG1 3.35Å | ||
| 262 | I | 87.7 | Confident | 89.8 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.036 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.9 | -33.7 | 171.4 | -172.8 | 161.5 | 0 | 0 | 0 | 112.7 | I228 K231 C251 E264 T265 L266 | I228-I262 HydrophobicContact CB-CD1 3.85Å; I228-I262 HydrophobicContact CD1-CD1 4.44Å; I228-I262 HydrophobicContact CG1-CD1 3.68Å; I228-I262 HydrophobicContact CG2-CD1 3.61Å; K231-I262 HydrophobicContact CD-CG2 3.91Å; C251-I262 HydrophobicContact CB-CD1 3.94Å; C251-I262 HydrophobicContact CB-CG1 4.07Å; I262-E264 PolarHBondContact O-N 3.31Å; I262-E264 VanDerWaalsContact O-N 3.08Å; I262-T265 PolarHBondContact O-N 3.45Å; I262-L266 HydrophobicContact CG1-CB 4Å; I262-L266 VanDerWaalsContact O-CB 3.25Å; I262-L266 WeakPolarHBondContact O-CB 3.4Å; I262-L266 PolarHBondContact O-N 2.97Å |
| 263 | D | 87.3 | Confident | 89.6 | Confident | 93 Ų | 93 | 50.5 Ų | 50.5 | 50% | 0.497 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.2 | -20.8 | -178.7 | -66.2 | -65.1 | 0 | 0 | 0 | 113.2 | K231 S261 P267 | K231-D263 WeakPolarHBondContact CD-OD1 3.35Å; K231-D263 WeakPolarHBondContact CE-OD1 3.33Å; K231-D263 IonicContact NZ-OD1 2.98Å; K231-D263 PolarHBondContact NZ-OD1 2.89Å; K231-D263 IonicContact NZ-OD2 3.34Å; K231-D263 PolarHBondContact NZ-OD2 2.92Å; S261-D263 VanDerWaalsContact C-N 3.32Å; D263-P267 WeakPolarHBondContact O-CD 3.4Å; D263-P267 WeakPolarHBondContact O-CG 3.33Å |
| 264 | E | 89.3 | Confident | 89.3 | Confident | 70 Ų | 70 | 49.5 Ų | 49.5 | 33% | 0.327 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -106.7 | -37.7 | -178.9 | -61.5 | 163 | 134.7 | 0 | 0 | 111.2 | S261 I262 F268 R297 F301 | S261-E264 PolarHBondContact N-OE2 2.99Å; S261-E264 WeakPolarHBondContact OG-CG 3.19Å; S261-E264 PolarHBondContact OG-OE2 3.26Å; I262-E264 PolarHBondContact O-N 3.31Å; I262-E264 VanDerWaalsContact O-N 3.08Å; E264-F268 WeakPolarHBondContact O-CB 3.28Å; E264-F268 PolarHBondContact O-N 3.46Å; E264-R297 VanDerWaalsContact CD-NH1 3.26Å; E264-R297 VanDerWaalsContact CD-NH2 3.32Å; E264-R297 IonicContact OE1-CZ 2.6Å; E264-R297 IonicContact OE1-NE 2.81Å; E264-R297 IonicContact OE1-NH1 2.71Å; E264-R297 PolarHBondContact OE1-NH1 3.41Å; E264-R297 IonicContact OE1-NH2 3.77Å; E264-R297 PolarHBondContact OE1-NH2 3.48Å; E264-R297 IonicContact OE2-CZ 3.61Å; E264-R297 IonicContact OE2-NE 3.21Å; E264-R297 PolarHBondContact OE2-NE 2.87Å; E264-R297 IonicContact OE2-NH1 2.73Å; E264-R297 IonicContact OE2-NH2 2.7Å; E264-F301 HydrophobicContact CB-CE2 4.27Å |
| 265 | T | 91.4 | Very high | 89 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.7 | -41.3 | -179.6 | -50.9 | 0 | 0 | 0 | 0 | 111.9 | V254 S260 S261 I262 F268 L269 | V254-T265 HydrophobicContact CB-CG2 3.75Å; V254-T265 HydrophobicContact CG1-CG2 3.69Å; V254-T265 WeakPolarHBondContact CG1-OG1 3.14Å; V254-T265 HydrophobicContact CG2-CG2 3.95Å; S260-T265 PolarHBondContact OG-OG1 3.42Å; S261-T265 WeakPolarHBondContact O-CB 3.28Å; S261-T265 PolarHBondContact O-N 3.3Å; S261-T265 VanDerWaalsContact O-N 3.1Å; S261-T265 PolarHBondContact O-OG1 3.35Å; I262-T265 PolarHBondContact O-N 3.45Å; T265-F268 PolarHBondContact O-N 3.02Å; T265-L269 HydrophobicContact CG2-CD1 4.11Å; T265-L269 WeakPolarHBondContact O-CG 3.27Å; T265-L269 PolarHBondContact O-N 3.29Å; T265-L269 VanDerWaalsContact O-N 3.08Å |
| 266 | L | 92.1 | Very high | 89 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.7 | -48.2 | -176.3 | 176.7 | 67.3 | 0 | 0 | 0 | 112.2 | K231 A232 C235 L236 Y247 I262 F268 L269 I270 | K231-L266 HydrophobicContact CB-CD2 4.14Å; A232-L266 HydrophobicContact CB-CD2 4.46Å; C235-L266 HydrophobicContact CB-CD2 4.13Å; L236-L266 HydrophobicContact CD1-CD1 3.77Å; Y247-L266 HydrophobicContact CD1-CD1 4.35Å; I262-L266 HydrophobicContact CG1-CB 4Å; I262-L266 VanDerWaalsContact O-CB 3.25Å; I262-L266 WeakPolarHBondContact O-CB 3.4Å; I262-L266 PolarHBondContact O-N 2.97Å; L266-F268 VanDerWaalsContact C-N 3.33Å; L266-F268 PolarHBondContact O-N 3.15Å; L266-L269 PolarHBondContact O-N 3.29Å; L266-I270 HydrophobicContact CD1-CD1 4.1Å; L266-I270 HydrophobicContact CD1-CG1 4.45Å; L266-I270 HydrophobicContact CG-CD1 3.93Å; L266-I270 WeakPolarHBondContact O-CD1 3.37Å; L266-I270 VanDerWaalsContact O-CG1 3.28Å; L266-I270 WeakPolarHBondContact O-CG1 3.23Å; L266-I270 PolarHBondContact O-N 2.93Å; L266-I270 VanDerWaalsContact O-N 3.08Å |
| 267 | P | 91.4 | Very high | 88.9 | Confident | 62 Ų | 62 | 51.6 Ų | 51.6 | 40% | 0.403 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60 | -39.5 | 174.3 | -26.9 | 38 | 0 | 0 | 0 | 113.3 | D263 I270 Q271 | D263-P267 WeakPolarHBondContact O-CD 3.4Å; D263-P267 WeakPolarHBondContact O-CG 3.33Å; P267-I270 PolarHBondContact O-N 3.46Å; P267-Q271 WeakPolarHBondContact O-CB 3.48Å; P267-Q271 PolarHBondContact O-N 3.44Å |
| 268 | F | 92.8 | Very high | 89.2 | Confident | 11 Ų | 11 | 56.2 Ų | 56.2 | 5% | 0.048 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.1 | -50.2 | 174.7 | 157.7 | -105.6 | 0 | 0 | 0 | 112 | E264 T265 L266 I270 Q271 C272 Y283 C287 F301 V304 A305 | E264-F268 WeakPolarHBondContact O-CB 3.28Å; E264-F268 PolarHBondContact O-N 3.46Å; T265-F268 PolarHBondContact O-N 3.02Å; L266-F268 VanDerWaalsContact C-N 3.33Å; L266-F268 PolarHBondContact O-N 3.15Å; F268-I270 VanDerWaalsContact C-N 3.27Å; F268-I270 PolarHBondContact O-N 3.5Å; F268-Q271 PolarHBondContact O-N 3.15Å; F268-C272 WeakPolarHBondContact CE2-SG 3.33Å; F268-C272 PolarHBondContact O-N 2.85Å; F268-C272 PolarHBondContact O-SG 3.21Å; F268-C272 VanDerWaalsContact O-SG 3.35Å; F268-Y283 HydrophobicContact CZ-CD1 4.16Å; F268-C287 VanDerWaalsContact CE1-SG 3.51Å; F268-F301 HydrophobicContact CB-CD2 3.91Å; F268-F301 HydrophobicContact CB-CE2 4.21Å; F268-F301 HydrophobicContact CB-CG 4.3Å; F268-F301 HydrophobicContact CD1-CD1 4.09Å; F268-F301 HydrophobicContact CD1-CD2 4.47Å; F268-F301 HydrophobicContact CD1-CE1 4.25Å; F268-F301 HydrophobicContact CD1-CG 4.21Å; F268-F301 HydrophobicContact CD1-CZ 4.49Å; F268-F301 HydrophobicContact CD2-CB 3.69Å; F268-F301 HydrophobicContact CD2-CD1 4.47Å; F268-F301 HydrophobicContact CD2-CD2 4.41Å; F268-F301 AromaticContact CD2-CG 3.98Å; F268-F301 HydrophobicContact CD2-CG 3.98Å; F268-F301 HydrophobicContact CE1-CD1 4.21Å; F268-F301 HydrophobicContact CE2-CB 3.97Å; F268-F301 HydrophobicContact CE2-CG 4.38Å; F268-F301 WeakPolarHBondContact CE2-O 3.3Å; F268-F301 HydrophobicContact CG-CB 4.12Å; F268-F301 HydrophobicContact CG-CD1 4.23Å; F268-F301 HydrophobicContact CG-CD2 4Å; F268-F301 HydrophobicContact CG-CE2 4.45Å; F268-F301 AromaticContact CG-CG 3.88Å; F268-F301 HydrophobicContact CG-CG 3.88Å; F268-F301 HydrophobicContact CZ-CD1 4.44Å; F268-V304 HydrophobicContact CZ-CB 4.13Å; F268-V304 HydrophobicContact CZ-CG1 3.89Å; F268-A305 HydrophobicContact CE2-CB 4.13Å |
| 269 | L | 91.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.4 | -35.5 | 178.4 | -68.5 | 170 | 0 | 0 | 0 | 112.1 | Y247 A250 T265 L266 L274 | Y247-L269 HydrophobicContact CD1-CB 3.82Å; Y247-L269 HydrophobicContact CD1-CD1 4.5Å; Y247-L269 HydrophobicContact CE1-CB 3.77Å; A250-L269 HydrophobicContact CB-CD1 3.63Å; T265-L269 HydrophobicContact CG2-CD1 4.11Å; T265-L269 WeakPolarHBondContact O-CG 3.27Å; T265-L269 PolarHBondContact O-N 3.29Å; T265-L269 VanDerWaalsContact O-N 3.08Å; L266-L269 PolarHBondContact O-N 3.29Å; L269-L274 HydrophobicContact CD2-CD1 4.17Å |
| 270 | I | 91.3 | Very high | 90.1 | Very high | 29 Ų | 29 | 50.4 Ų | 50.4 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.3 | -44.3 | 175.6 | -64.3 | 160 | 0 | 0 | 0 | 110.4 | C235 L236 R240 Y247 L266 P267 F268 C272 N273 | C235-I270 HydrophobicContact CB-CD1 3.92Å; C235-I270 WeakPolarHBondContact O-CD1 3.36Å; L236-I270 HydrophobicContact CD1-CD1 4.04Å; L236-I270 HydrophobicContact CD1-CG1 4.05Å; R240-I270 PolarHBondContact NH1-O 3.46Å; Y247-I270 HydrophobicContact CE1-CG1 4.17Å; L266-I270 HydrophobicContact CD1-CD1 4.1Å; L266-I270 HydrophobicContact CD1-CG1 4.45Å; L266-I270 HydrophobicContact CG-CD1 3.93Å; L266-I270 WeakPolarHBondContact O-CD1 3.37Å; L266-I270 VanDerWaalsContact O-CG1 3.28Å; L266-I270 WeakPolarHBondContact O-CG1 3.23Å; L266-I270 PolarHBondContact O-N 2.93Å; L266-I270 VanDerWaalsContact O-N 3.08Å; P267-I270 PolarHBondContact O-N 3.46Å; F268-I270 VanDerWaalsContact C-N 3.27Å; F268-I270 PolarHBondContact O-N 3.5Å; I270-C272 VanDerWaalsContact C-N 3.31Å; I270-C272 PolarHBondContact O-N 3.14Å; I270-N273 PolarHBondContact O-N 3.36Å; I270-N273 PolarHBondContact O-OD1 3.38Å |
| 271 | Q | 91.1 | Very high | 90.4 | Very high | 154 Ų | 154 | 51 Ų | 51 | 72% | 0.72 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.9 | -36.2 | 179.4 | -175.4 | 178.6 | 2.6 | 0 | 0 | 112.4 | P267 F268 N273 | P267-Q271 WeakPolarHBondContact O-CB 3.48Å; P267-Q271 PolarHBondContact O-N 3.44Å; F268-Q271 PolarHBondContact O-N 3.15Å; Q271-N273 PolarHBondContact O-N 3.05Å; Q271-N273 VanDerWaalsContact O-N 3.07Å; Q271-N273 PolarHBondContact O-ND2 3.47Å |
| 272 | C | 88.4 | Confident | 90.7 | Very high | 26 Ų | 26 | 51.5 Ų | 51.5 | 18% | 0.176 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -3.2 | 174.5 | -68.9 | 0 | 0 | 0 | 0 | 114.2 | F268 I270 L274 Y283 | F268-C272 WeakPolarHBondContact CE2-SG 3.33Å; F268-C272 PolarHBondContact O-N 2.85Å; F268-C272 PolarHBondContact O-SG 3.21Å; F268-C272 VanDerWaalsContact O-SG 3.35Å; I270-C272 VanDerWaalsContact C-N 3.31Å; I270-C272 PolarHBondContact O-N 3.14Å; C272-L274 VanDerWaalsContact C-N 3.3Å; C272-L274 HydrophobicContact CB-CD1 4.16Å; C272-L274 HydrophobicContact CB-CD2 3.9Å; C272-L274 HydrophobicContact CB-CG 3.77Å; C272-L274 WeakPolarHBondContact O-CD2 3.23Å; C272-L274 PolarHBondContact O-N 2.94Å; C272-Y283 HydrophobicContact CB-CD1 4.27Å; C272-Y283 HydrophobicContact CB-CE1 3.82Å |
| 273 | N | 86.5 | Confident | 91 | Very high | 112 Ų | 112 | 52 Ų | 52 | 60% | 0.599 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 35.6 | 173.6 | -69.2 | -38.7 | 0 | 0 | 0 | 115.2 | R240 I270 Q271 | R240-N273 PolarHBondContact NH2-OD1 3.16Å; I270-N273 PolarHBondContact O-N 3.36Å; I270-N273 PolarHBondContact O-OD1 3.38Å; Q271-N273 PolarHBondContact O-N 3.05Å; Q271-N273 VanDerWaalsContact O-N 3.07Å; Q271-N273 PolarHBondContact O-ND2 3.47Å |
| 274 | L | 88.2 | Confident | 91.4 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | trans | -77 | 125.7 | -172.9 | -51.2 | -178.2 | 0 | 0 | 0 | 112.6 | Y247 L269 C272 V279 I280 Y283 | Y247-L274 PolarHBondContact OH-O 2.9Å; L269-L274 HydrophobicContact CD2-CD1 4.17Å; C272-L274 VanDerWaalsContact C-N 3.3Å; C272-L274 HydrophobicContact CB-CD1 4.16Å; C272-L274 HydrophobicContact CB-CD2 3.9Å; C272-L274 HydrophobicContact CB-CG 3.77Å; C272-L274 WeakPolarHBondContact O-CD2 3.23Å; C272-L274 PolarHBondContact O-N 2.94Å; L274-V279 HydrophobicContact CD2-CG1 3.84Å; L274-I280 HydrophobicContact CB-CD1 4.41Å; L274-I280 HydrophobicContact CB-CG1 3.53Å; L274-I280 HydrophobicContact CD1-CG1 4.16Å; L274-I280 HydrophobicContact CG-CG1 4.5Å; L274-Y283 HydrophobicContact CD1-CD1 3.78Å; L274-Y283 HydrophobicContact CD1-CD2 4.15Å; L274-Y283 HydrophobicContact CD1-CE1 4.17Å; L274-Y283 HydrophobicContact CD1-CG 3.74Å; L274-Y283 HydrophobicContact CD2-CD1 4.38Å; L274-Y283 HydrophobicContact CD2-CD2 4.42Å; L274-Y283 HydrophobicContact CD2-CE1 3.92Å; L274-Y283 HydrophobicContact CD2-CE2 3.98Å | ||
| 275 | S | 85.1 | Confident | 91.7 | Very high | 84 Ų | 84 | 49.5 Ų | 49.5 | 59% | 0.587 | 27% | 0.265 | S | S | * | . | trans | -107.7 | -35.3 | 175.4 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | H243 | H243-S275 PolarHBondContact CD2-O 3.14Å; H243-S275 PolarHBondContact NE2-O 2.9Å | ||
| 276 | D | 91.1 | Very high | 91.9 | Very high | 78 Ų | 78 | 50 Ų | 50 | 42% | 0.417 | 27% | 0.268 | S | S | . | . | trans | -81.1 | 128.9 | -179.5 | 178.3 | 9.5 | 0 | 0 | 0 | 112.3 | M278 V279 I280 | D276-M278 VanDerWaalsContact C-N 3.28Å; D276-M278 PolarHBondContact O-N 3.48Å; D276-M278 PolarHBondContact OD1-N 2.92Å; D276-V279 HydrophobicContact CB-CB 4.21Å; D276-V279 HydrophobicContact CB-CG2 3.88Å; D276-V279 PolarHBondContact O-N 3.44Å; D276-I280 WeakPolarHBondContact O-CD1 3.26Å; D276-I280 VanDerWaalsContact O-CG1 3.27Å; D276-I280 WeakPolarHBondContact O-CG1 3.37Å; D276-I280 PolarHBondContact O-N 3.44Å | ||
| 277 | K | 91.2 | Very high | 92 | Very high | 92 Ų | 92 | 49.8 Ų | 49.8 | 40% | 0.4 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -41.3 | -50.8 | 167.3 | 174.4 | -173 | 178.1 | -171.9 | 0 | 113.1 | Y246 I280 L281 | Y246-K277 HydrophobicContact CD1-CD 4.49Å; Y246-K277 HydrophobicContact CD1-CG 3.94Å; Y246-K277 HydrophobicContact CD2-CB 3.65Å; Y246-K277 HydrophobicContact CD2-CG 3.75Å; Y246-K277 HydrophobicContact CE1-CD 3.94Å; Y246-K277 HydrophobicContact CE1-CG 3.88Å; Y246-K277 HydrophobicContact CE2-CB 3.63Å; Y246-K277 HydrophobicContact CE2-CD 3.92Å; Y246-K277 HydrophobicContact CE2-CG 3.66Å; Y246-K277 HydrophobicContact CG-CB 4.23Å; Y246-K277 HydrophobicContact CG-CG 3.9Å; K277-I280 PolarHBondContact O-N 2.91Å; K277-L281 HydrophobicContact CG-CD1 4.4Å; K277-L281 WeakPolarHBondContact O-CG 3.46Å; K277-L281 PolarHBondContact O-N 3.41Å; K277-L281 VanDerWaalsContact O-N 3.16Å |
| 278 | M | 92.8 | Very high | 92.1 | Very high | 123 Ų | 123 | 47 Ų | 47 | 61% | 0.606 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -69.8 | -38.9 | -173.3 | -65.5 | -56.5 | -64.1 | 0 | 0 | 111.1 | D276 L281 S282 | D276-M278 VanDerWaalsContact C-N 3.28Å; D276-M278 PolarHBondContact O-N 3.48Å; D276-M278 PolarHBondContact OD1-N 2.92Å; M278-L281 PolarHBondContact O-N 3.08Å; M278-S282 VanDerWaalsContact O-CB 3.3Å; M278-S282 WeakPolarHBondContact O-CB 3.23Å; M278-S282 PolarHBondContact O-N 3.05Å |
| 279 | V | 92.9 | Very high | 92.2 | Very high | 54 Ų | 54 | 49.1 Ų | 49.1 | 33% | 0.327 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67 | -43.7 | 176 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | L274 D276 L281 S282 Y283 | L274-V279 HydrophobicContact CD2-CG1 3.84Å; D276-V279 HydrophobicContact CB-CB 4.21Å; D276-V279 HydrophobicContact CB-CG2 3.88Å; D276-V279 PolarHBondContact O-N 3.44Å; V279-L281 VanDerWaalsContact C-N 3.31Å; V279-L281 PolarHBondContact O-N 2.67Å; V279-S282 PolarHBondContact O-N 3.43Å; V279-Y283 HydrophobicContact CG1-CD2 3.69Å; V279-Y283 HydrophobicContact CG1-CE2 3.38Å; V279-Y283 VanDerWaalsContact O-CD2 3.23Å; V279-Y283 WeakPolarHBondContact O-CD2 3.39Å; V279-Y283 PolarHBondContact O-N 3.4Å |
| 280 | I | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.1 | -45.4 | 176 | -67.1 | 159.9 | 0 | 0 | 0 | 111.4 | H243 Y247 A250 L274 D276 K277 S284 | H243-I280 HydrophobicContact CB-CD1 4.2Å; Y247-I280 HydrophobicContact CD2-CD1 3.87Å; Y247-I280 HydrophobicContact CD2-CG2 4.49Å; Y247-I280 HydrophobicContact CE2-CD1 3.49Å; Y247-I280 VanDerWaalsContact CE2-CD1 3.49Å; Y247-I280 HydrophobicContact CE2-CG1 4.13Å; A250-I280 HydrophobicContact CB-CG2 3.87Å; L274-I280 HydrophobicContact CB-CD1 4.41Å; L274-I280 HydrophobicContact CB-CG1 3.53Å; L274-I280 HydrophobicContact CD1-CG1 4.16Å; L274-I280 HydrophobicContact CG-CG1 4.5Å; D276-I280 WeakPolarHBondContact O-CD1 3.26Å; D276-I280 VanDerWaalsContact O-CG1 3.27Å; D276-I280 WeakPolarHBondContact O-CG1 3.37Å; D276-I280 PolarHBondContact O-N 3.44Å; K277-I280 PolarHBondContact O-N 2.91Å; I280-S284 PolarHBondContact O-N 3.17Å |
| 281 | L | 94.1 | Very high | 92.4 | Very high | 20 Ų | 20 | 47.8 Ų | 47.8 | 11% | 0.105 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.2 | -43.2 | 179.7 | -64.2 | 177.5 | 0 | 0 | 0 | 111.7 | K249 K277 M278 V279 Y283 S284 E285 | K249-L281 HydrophobicContact CB-CD2 4.12Å; K249-L281 HydrophobicContact CD-CD2 3.86Å; K249-L281 HydrophobicContact CG-CD2 3.93Å; K277-L281 HydrophobicContact CG-CD1 4.4Å; K277-L281 WeakPolarHBondContact O-CG 3.46Å; K277-L281 PolarHBondContact O-N 3.41Å; K277-L281 VanDerWaalsContact O-N 3.16Å; M278-L281 PolarHBondContact O-N 3.08Å; V279-L281 VanDerWaalsContact C-N 3.31Å; V279-L281 PolarHBondContact O-N 2.67Å; L281-Y283 PolarHBondContact O-N 3.43Å; L281-S284 WeakPolarHBondContact O-CB 3.4Å; L281-S284 PolarHBondContact O-N 2.9Å; L281-S284 VanDerWaalsContact O-N 3.08Å; L281-S284 PolarHBondContact O-OG 2.9Å; L281-E285 PolarHBondContact O-N 2.91Å |
| 282 | S | 94.6 | Very high | 92.5 | Very high | 52 Ų | 52 | 46.5 Ų | 46.5 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.7 | -48.5 | 176 | 179.2 | 0 | 0 | 0 | 0 | 112.3 | M278 V279 S284 E285 V286 | M278-S282 VanDerWaalsContact O-CB 3.3Å; M278-S282 WeakPolarHBondContact O-CB 3.23Å; M278-S282 PolarHBondContact O-N 3.05Å; V279-S282 PolarHBondContact O-N 3.43Å; S282-S284 PolarHBondContact O-N 2.78Å; S282-E285 PolarHBondContact O-N 3.48Å; S282-E285 VanDerWaalsContact O-N 3.07Å; S282-V286 WeakPolarHBondContact O-CG2 3.42Å; S282-V286 PolarHBondContact O-N 3.11Å |
| 283 | Y | 94.7 | Very high | 92.7 | Very high | 16 Ų | 16 | 49.8 Ų | 49.8 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.6 | -39.6 | 175.6 | -88.3 | -126 | 0 | 0 | 0 | 112 | F268 C272 L274 V279 L281 C287 V304 K308 | F268-Y283 HydrophobicContact CZ-CD1 4.16Å; C272-Y283 HydrophobicContact CB-CD1 4.27Å; C272-Y283 HydrophobicContact CB-CE1 3.82Å; L274-Y283 HydrophobicContact CD1-CD1 3.78Å; L274-Y283 HydrophobicContact CD1-CD2 4.15Å; L274-Y283 HydrophobicContact CD1-CE1 4.17Å; L274-Y283 HydrophobicContact CD1-CG 3.74Å; L274-Y283 HydrophobicContact CD2-CD1 4.38Å; L274-Y283 HydrophobicContact CD2-CD2 4.42Å; L274-Y283 HydrophobicContact CD2-CE1 3.92Å; L274-Y283 HydrophobicContact CD2-CE2 3.98Å; V279-Y283 HydrophobicContact CG1-CD2 3.69Å; V279-Y283 HydrophobicContact CG1-CE2 3.38Å; V279-Y283 VanDerWaalsContact O-CD2 3.23Å; V279-Y283 WeakPolarHBondContact O-CD2 3.39Å; V279-Y283 PolarHBondContact O-N 3.4Å; L281-Y283 PolarHBondContact O-N 3.43Å; Y283-C287 WeakPolarHBondContact O-CB 3.33Å; Y283-C287 PolarHBondContact O-N 3.17Å; Y283-C287 PolarHBondContact O-SG 2.72Å; Y283-V304 HydrophobicContact CD1-CG1 3.84Å; Y283-V304 HydrophobicContact CE1-CG1 4.3Å; Y283-V304 HydrophobicContact CG-CG1 4.3Å; Y283-K308 VanDerWaalsContact CE2-C 3.49Å; Y283-K308 WeakPolarHBondContact CE2-O 3.15Å; Y283-K308 WeakPolarHBondContact OH-CA 3.18Å; Y283-K308 PolarHBondContact OH-O 2.95Å |
| 284 | S | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.5 | -36.1 | 178.9 | 85.3 | 0 | 0 | 0 | 0 | 113.2 | A250 V254 I280 L281 S282 S288 | A250-S284 VanDerWaalsContact CA-CB 3.44Å; A250-S284 VanDerWaalsContact CB-CB 3.43Å; V254-S284 WeakPolarHBondContact CG2-O 3.14Å; I280-S284 PolarHBondContact O-N 3.17Å; L281-S284 WeakPolarHBondContact O-CB 3.4Å; L281-S284 PolarHBondContact O-N 2.9Å; L281-S284 VanDerWaalsContact O-N 3.08Å; L281-S284 PolarHBondContact O-OG 2.9Å; S282-S284 PolarHBondContact O-N 2.78Å; S284-S288 WeakPolarHBondContact O-CB 3.44Å; S284-S288 PolarHBondContact O-N 3.28Å |
| 285 | E | 94.9 | Very high | 93 | Very high | 112 Ų | 112 | 48.3 Ų | 48.3 | 52% | 0.523 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -71.1 | -44.2 | 176.9 | -72.3 | 175.7 | -176.2 | 0 | 0 | 110.8 | T253 L281 S282 S288 N289 | T253-E285 HydrophobicContact CG2-CG 4.22Å; L281-E285 PolarHBondContact O-N 2.91Å; S282-E285 PolarHBondContact O-N 3.48Å; S282-E285 VanDerWaalsContact O-N 3.07Å; E285-S288 WeakPolarHBondContact O-CB 3.25Å; E285-S288 PolarHBondContact O-N 3.31Å; E285-N289 WeakPolarHBondContact O-CB 3.37Å; E285-N289 PolarHBondContact O-N 3.19Å; E285-N289 PolarHBondContact O-ND2 3Å; E285-N289 PolarHBondContact O-OD1 3.22Å |
| 286 | V | 95.4 | Very high | 93.3 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 175.2 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | S282 S288 N289 L290 V304 Q311 | S282-V286 WeakPolarHBondContact O-CG2 3.42Å; S282-V286 PolarHBondContact O-N 3.11Å; V286-S288 VanDerWaalsContact C-N 3.32Å; V286-S288 PolarHBondContact O-N 3.12Å; V286-N289 PolarHBondContact O-N 3.46Å; V286-L290 HydrophobicContact CG1-CD1 3.81Å; V286-L290 HydrophobicContact CG1-CG 4.42Å; V286-L290 WeakPolarHBondContact O-CB 3.39Å; V286-L290 VanDerWaalsContact O-CG 3.27Å; V286-L290 WeakPolarHBondContact O-CG 3.46Å; V286-L290 PolarHBondContact O-N 2.91Å; V286-V304 HydrophobicContact CG1-CG2 3.9Å; V286-Q311 HydrophobicContact CB-CB 4.5Å; V286-Q311 HydrophobicContact CG1-CB 3.85Å; V286-Q311 HydrophobicContact CG1-CG 4.09Å; V286-Q311 HydrophobicContact CG2-CB 3.92Å |
| 287 | C | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.6 | -43.8 | 172.2 | -70.7 | 0 | 0 | 0 | 0 | 111.9 | V254 F268 Y283 N289 L290 L291 I300 F301 | V254-C287 HydrophobicContact CG2-CB 3.88Å; F268-C287 VanDerWaalsContact CE1-SG 3.51Å; Y283-C287 WeakPolarHBondContact O-CB 3.33Å; Y283-C287 PolarHBondContact O-N 3.17Å; Y283-C287 PolarHBondContact O-SG 2.72Å; C287-N289 VanDerWaalsContact C-N 3.33Å; C287-N289 PolarHBondContact O-N 3.03Å; C287-L290 PolarHBondContact O-N 3.46Å; C287-L291 WeakPolarHBondContact O-CB 3.37Å; C287-L291 WeakPolarHBondContact O-CD1 3.26Å; C287-L291 VanDerWaalsContact O-CG 3.23Å; C287-L291 WeakPolarHBondContact O-CG 3.46Å; C287-L291 PolarHBondContact O-N 3.38Å; C287-I300 HydrophobicContact CB-CG2 4.49Å; C287-F301 HydrophobicContact CB-CE1 4.33Å |
| 288 | S | 94.8 | Very high | 93.3 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 178.2 | -170 | 0 | 0 | 0 | 0 | 111.9 | T253 T257 S284 E285 V286 K292 | T253-S288 PolarHBondContact O-OG 3.05Å; T253-S288 VanDerWaalsContact O-OG 3.11Å; T257-S288 VanDerWaalsContact CG2-OG 3.25Å; T257-S288 WeakPolarHBondContact CG2-OG 3.48Å; S284-S288 WeakPolarHBondContact O-CB 3.44Å; S284-S288 PolarHBondContact O-N 3.28Å; E285-S288 WeakPolarHBondContact O-CB 3.25Å; E285-S288 PolarHBondContact O-N 3.31Å; V286-S288 VanDerWaalsContact C-N 3.32Å; V286-S288 PolarHBondContact O-N 3.12Å; S288-K292 WeakPolarHBondContact O-CD 3.23Å; S288-K292 WeakPolarHBondContact O-CG 3.45Å; S288-K292 PolarHBondContact O-N 3.24Å; S288-K292 WeakPolarHBondContact OG-CE 3.42Å; S288-K292 PolarHBondContact OG-NZ 3.21Å |
| 289 | N | 95.1 | Very high | 93.3 | Very high | 55 Ų | 55 | 45.1 Ų | 45.1 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.2 | -45.1 | 178.4 | -67.6 | -16 | 0 | 0 | 0 | 112.2 | E285 V286 C287 L291 K292 M293 Q311 | E285-N289 WeakPolarHBondContact O-CB 3.37Å; E285-N289 PolarHBondContact O-N 3.19Å; E285-N289 PolarHBondContact O-ND2 3Å; E285-N289 PolarHBondContact O-OD1 3.22Å; V286-N289 PolarHBondContact O-N 3.46Å; C287-N289 VanDerWaalsContact C-N 3.33Å; C287-N289 PolarHBondContact O-N 3.03Å; N289-L291 VanDerWaalsContact C-N 3.34Å; N289-L291 PolarHBondContact O-N 2.98Å; N289-K292 WeakPolarHBondContact O-CB 3.36Å; N289-K292 PolarHBondContact O-N 3.36Å; N289-K292 PolarHBondContact OD1-NZ 2.9Å; N289-M293 HydrophobicContact CB-CE 4.2Å; N289-M293 WeakPolarHBondContact O-CE 3.16Å; N289-M293 PolarHBondContact O-N 3.07Å; N289-Q311 PolarHBondContact ND2-OE1 3.26Å |
| 290 | L | 93.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.2 | -38.4 | 176.6 | -65.7 | 170.1 | 0 | 0 | 0 | 111.9 | V286 C287 M293 G294 F295 I300 V304 A314 L315 L318 | V286-L290 HydrophobicContact CG1-CD1 3.81Å; V286-L290 HydrophobicContact CG1-CG 4.42Å; V286-L290 WeakPolarHBondContact O-CB 3.39Å; V286-L290 VanDerWaalsContact O-CG 3.27Å; V286-L290 WeakPolarHBondContact O-CG 3.46Å; V286-L290 PolarHBondContact O-N 2.91Å; C287-L290 PolarHBondContact O-N 3.46Å; L290-M293 HydrophobicContact CD2-CE 3.92Å; L290-M293 PolarHBondContact O-N 3.2Å; L290-G294 PolarHBondContact O-N 2.94Å; L290-F295 HydrophobicContact CD2-CD2 4.34Å; L290-F295 HydrophobicContact CD2-CE2 4.49Å; L290-I300 HydrophobicContact CB-CB 4.44Å; L290-I300 HydrophobicContact CB-CD1 3.84Å; L290-I300 HydrophobicContact CB-CG1 3.91Å; L290-I300 HydrophobicContact CB-CG2 3.71Å; L290-I300 HydrophobicContact CD1-CG2 3.84Å; L290-I300 HydrophobicContact CG-CG2 4.43Å; L290-V304 HydrophobicContact CD1-CG2 3.47Å; L290-V304 VanDerWaalsContact CD1-CG2 3.47Å; L290-A314 HydrophobicContact CD1-CB 4.06Å; L290-L315 HydrophobicContact CD2-CD2 3.43Å; L290-L315 VanDerWaalsContact CD2-CD2 3.43Å; L290-L315 HydrophobicContact CD2-CG 3.74Å; L290-L318 HydrophobicContact CD1-CD1 4.12Å; L290-L318 HydrophobicContact CD2-CD1 3.86Å; L290-L318 HydrophobicContact CG-CD1 4.45Å |
| 291 | L | 93.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.8 | -42.1 | 173.3 | -75.2 | 165.9 | 0 | 0 | 0 | 111.4 | V254 T257 K259 C287 N289 M293 G294 R297 I300 | V254-L291 HydrophobicContact CG1-CD1 3.75Å; T257-L291 HydrophobicContact CG2-CB 4.06Å; T257-L291 HydrophobicContact CG2-CD1 4.38Å; K259-L291 HydrophobicContact CB-CB 4.42Å; K259-L291 HydrophobicContact CB-CD2 3.93Å; K259-L291 HydrophobicContact CD-CB 4.46Å; K259-L291 WeakPolarHBondContact CD-O 3.37Å; K259-L291 WeakPolarHBondContact CE-O 3.37Å; K259-L291 PolarHBondContact NZ-O 2.89Å; C287-L291 WeakPolarHBondContact O-CB 3.37Å; C287-L291 WeakPolarHBondContact O-CD1 3.26Å; C287-L291 VanDerWaalsContact O-CG 3.23Å; C287-L291 WeakPolarHBondContact O-CG 3.46Å; C287-L291 PolarHBondContact O-N 3.38Å; N289-L291 VanDerWaalsContact C-N 3.34Å; N289-L291 PolarHBondContact O-N 2.98Å; L291-M293 VanDerWaalsContact C-N 3.32Å; L291-M293 PolarHBondContact O-N 3.13Å; L291-G294 PolarHBondContact O-N 3Å; L291-R297 HydrophobicContact CD2-CB 4.02Å; L291-R297 HydrophobicContact CD2-CG 4.39Å; L291-I300 HydrophobicContact CB-CD1 4.3Å; L291-I300 HydrophobicContact CD2-CD1 3.59Å; L291-I300 HydrophobicContact CG-CD1 3.7Å |
| 292 | K | 93.1 | Very high | 93.3 | Very high | 126 Ų | 126 | 47.9 Ų | 47.9 | 55% | 0.548 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.5 | -43.5 | 174.4 | -72.1 | 163.1 | -159.4 | 160.6 | 0 | 111.5 | T257 K259 S288 N289 G294 | T257-K292 HydrophobicContact CG2-CG 4.39Å; K259-K292 PolarHBondContact NZ-O 3.49Å; S288-K292 WeakPolarHBondContact O-CD 3.23Å; S288-K292 WeakPolarHBondContact O-CG 3.45Å; S288-K292 PolarHBondContact O-N 3.24Å; S288-K292 WeakPolarHBondContact OG-CE 3.42Å; S288-K292 PolarHBondContact OG-NZ 3.21Å; N289-K292 WeakPolarHBondContact O-CB 3.36Å; N289-K292 PolarHBondContact O-N 3.36Å; N289-K292 PolarHBondContact OD1-NZ 2.9Å; K292-G294 PolarHBondContact O-N 3.46Å; K292-G294 VanDerWaalsContact O-N 3.13Å |
| 293 | M | 92.3 | Very high | 93.2 | Very high | 96 Ų | 96 | 45.6 Ų | 45.6 | 47% | 0.473 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.2 | -14.8 | 175.6 | -72.9 | -177.6 | -102.9 | 0 | 0 | 114.3 | N289 L290 L291 F295 L315 | N289-M293 HydrophobicContact CB-CE 4.2Å; N289-M293 WeakPolarHBondContact O-CE 3.16Å; N289-M293 PolarHBondContact O-N 3.07Å; L290-M293 HydrophobicContact CD2-CE 3.92Å; L290-M293 PolarHBondContact O-N 3.2Å; L291-M293 VanDerWaalsContact C-N 3.32Å; L291-M293 PolarHBondContact O-N 3.13Å; M293-F295 HydrophobicContact CB-CD2 3.83Å; M293-F295 HydrophobicContact CB-CE2 3.84Å; M293-F295 HydrophobicContact SD-CE2 4.24Å; M293-L315 HydrophobicContact CE-CD1 4.33Å; M293-L315 HydrophobicContact CE-CD2 4.09Å; M293-L315 HydrophobicContact SD-CD2 3.84Å |
| 294 | G | 90.8 | Very high | 93.2 | Very high | 50 Ų | 50 | 44.8 Ų | 44.8 | 52% | 0.515 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | 5.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L290 L291 K292 | L290-G294 PolarHBondContact O-N 2.94Å; L291-G294 PolarHBondContact O-N 3Å; K292-G294 PolarHBondContact O-N 3.46Å; K292-G294 VanDerWaalsContact O-N 3.13Å |
| 295 | F | 91.6 | Very high | 93.1 | Very high | 40 Ų | 40 | 46.8 Ų | 46.8 | 18% | 0.175 | 25% | 0.25 | C | S | . | . | trans | -60.8 | 148.5 | 170.9 | -64.9 | -77.7 | 0 | 0 | 0 | 111 | L290 M293 R297 I300 L315 L318 L319 | L290-F295 HydrophobicContact CD2-CD2 4.34Å; L290-F295 HydrophobicContact CD2-CE2 4.49Å; M293-F295 HydrophobicContact CB-CD2 3.83Å; M293-F295 HydrophobicContact CB-CE2 3.84Å; M293-F295 HydrophobicContact SD-CE2 4.24Å; F295-R297 PolarHBondContact O-N 3.3Å; F295-I300 HydrophobicContact CB-CD1 3.8Å; F295-I300 HydrophobicContact CB-CG1 3.66Å; F295-I300 VanDerWaalsContact O-CD1 3.26Å; F295-I300 WeakPolarHBondContact O-CD1 3.23Å; F295-L315 HydrophobicContact CE2-CD2 3.59Å; F295-L315 HydrophobicContact CZ-CD2 4.01Å; F295-L318 HydrophobicContact CB-CD1 4.37Å; F295-L318 HydrophobicContact CD1-CB 3.87Å; F295-L318 HydrophobicContact CD1-CD1 4.38Å; F295-L318 HydrophobicContact CD1-CD2 4.5Å; F295-L318 HydrophobicContact CD1-CG 4.49Å; F295-L318 HydrophobicContact CD2-CD1 4.28Å; F295-L318 HydrophobicContact CE1-CB 3.8Å; F295-L318 HydrophobicContact CG-CB 4.41Å; F295-L318 HydrophobicContact CG-CD1 4.1Å; F295-L318 HydrophobicContact CZ-CB 4.29Å; F295-L319 HydrophobicContact CE1-CD2 4.1Å; F295-L319 HydrophobicContact CZ-CD2 3.86Å; F295-L319 HydrophobicContact CZ-CG 4.23Å | ||
| 296 | P | 90.9 | Very high | 93 | Very high | 61 Ų | 61 | 44.8 Ų | 44.8 | 40% | 0.396 | 25% | 0.246 | S | C | . | . | trans | -71.8 | 129.3 | 179.8 | 29.2 | -34.3 | 0 | 0 | 0 | 110.8 | P298 Q299 I300 | P296-P298 VanDerWaalsContact C-CD 3.46Å; P296-P298 VanDerWaalsContact O-N 3.17Å; P296-Q299 HydrophobicContact CG-CB 4.1Å; P296-Q299 HydrophobicContact CG-CG 3.86Å; P296-Q299 PolarHBondContact O-N 3.13Å; P296-I300 PolarHBondContact O-N 3.33Å; P296-I300 VanDerWaalsContact O-N 3.15Å | ||
| 297 | R | 90.6 | Very high | 92.9 | Very high | 69 Ų | 69 | 45.3 Ų | 45.3 | 26% | 0.26 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -40.4 | -49.2 | -179 | -178.4 | -178.8 | 56 | 77.6 | 0.7 | 116.2 | S260 E264 L291 F295 Q299 I300 F301 | S260-R297 VanDerWaalsContact OG-CD 3.28Å; S260-R297 WeakPolarHBondContact OG-CD 3.48Å; E264-R297 VanDerWaalsContact CD-NH1 3.26Å; E264-R297 VanDerWaalsContact CD-NH2 3.32Å; E264-R297 IonicContact OE1-CZ 2.6Å; E264-R297 IonicContact OE1-NE 2.81Å; E264-R297 IonicContact OE1-NH1 2.71Å; E264-R297 PolarHBondContact OE1-NH1 3.41Å; E264-R297 IonicContact OE1-NH2 3.77Å; E264-R297 PolarHBondContact OE1-NH2 3.48Å; E264-R297 IonicContact OE2-CZ 3.61Å; E264-R297 IonicContact OE2-NE 3.21Å; E264-R297 PolarHBondContact OE2-NE 2.87Å; E264-R297 IonicContact OE2-NH1 2.73Å; E264-R297 IonicContact OE2-NH2 2.7Å; L291-R297 HydrophobicContact CD2-CB 4.02Å; L291-R297 HydrophobicContact CD2-CG 4.39Å; F295-R297 PolarHBondContact O-N 3.3Å; R297-Q299 PolarHBondContact O-N 2.92Å; R297-I300 WeakPolarHBondContact O-CB 3.27Å; R297-I300 PolarHBondContact O-N 2.95Å; R297-F301 HydrophobicContact CG-CD2 4.12Å; R297-F301 HydrophobicContact CG-CE1 4.2Å; R297-F301 HydrophobicContact CG-CE2 3.76Å; R297-F301 HydrophobicContact CG-CZ 3.81Å; R297-F301 PolarHBondContact O-N 3.26Å |
| 298 | P | 91.1 | Very high | 92.7 | Very high | 81 Ų | 81 | 53.2 Ų | 53.2 | 53% | 0.526 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.9 | -41.8 | -179.1 | 22.6 | -33.7 | 0 | 0 | 0 | 112.8 | P296 I300 F301 E302 | P296-P298 VanDerWaalsContact C-CD 3.46Å; P296-P298 VanDerWaalsContact O-N 3.17Å; P298-I300 VanDerWaalsContact C-N 3.34Å; P298-I300 PolarHBondContact O-N 2.84Å; P298-F301 PolarHBondContact O-N 2.99Å; P298-E302 PolarHBondContact O-N 3.33Å |
| 299 | Q | 92.3 | Very high | 92.4 | Very high | 99 Ų | 99 | 53.5 Ų | 53.5 | 46% | 0.463 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.8 | -37.7 | 177.4 | -62.2 | 178 | -6.4 | 0 | 0 | 111.2 | P296 R297 E302 A303 L318 | P296-Q299 HydrophobicContact CG-CB 4.1Å; P296-Q299 HydrophobicContact CG-CG 3.86Å; P296-Q299 PolarHBondContact O-N 3.13Å; R297-Q299 PolarHBondContact O-N 2.92Å; Q299-E302 PolarHBondContact O-N 3.03Å; Q299-A303 VanDerWaalsContact O-CB 3.23Å; Q299-A303 WeakPolarHBondContact O-CB 3.18Å; Q299-A303 PolarHBondContact O-N 3.5Å; Q299-L318 HydrophobicContact CB-CD2 3.56Å |
| 300 | I | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.6 | -51.4 | 174.7 | -63.9 | 171.5 | 0 | 0 | 0 | 110.5 | C287 L290 L291 F295 P296 R297 P298 E302 A303 V304 L318 | C287-I300 HydrophobicContact CB-CG2 4.49Å; L290-I300 HydrophobicContact CB-CB 4.44Å; L290-I300 HydrophobicContact CB-CD1 3.84Å; L290-I300 HydrophobicContact CB-CG1 3.91Å; L290-I300 HydrophobicContact CB-CG2 3.71Å; L290-I300 HydrophobicContact CD1-CG2 3.84Å; L290-I300 HydrophobicContact CG-CG2 4.43Å; L291-I300 HydrophobicContact CB-CD1 4.3Å; L291-I300 HydrophobicContact CD2-CD1 3.59Å; L291-I300 HydrophobicContact CG-CD1 3.7Å; F295-I300 HydrophobicContact CB-CD1 3.8Å; F295-I300 HydrophobicContact CB-CG1 3.66Å; F295-I300 VanDerWaalsContact O-CD1 3.26Å; F295-I300 WeakPolarHBondContact O-CD1 3.23Å; P296-I300 PolarHBondContact O-N 3.33Å; P296-I300 VanDerWaalsContact O-N 3.15Å; R297-I300 WeakPolarHBondContact O-CB 3.27Å; R297-I300 PolarHBondContact O-N 2.95Å; P298-I300 VanDerWaalsContact C-N 3.34Å; P298-I300 PolarHBondContact O-N 2.84Å; I300-E302 VanDerWaalsContact C-N 3.34Å; I300-E302 PolarHBondContact O-N 3.23Å; I300-A303 PolarHBondContact O-N 2.93Å; I300-V304 HydrophobicContact CG2-CG2 4.1Å; I300-V304 WeakPolarHBondContact O-CB 3.49Å; I300-V304 VanDerWaalsContact O-CG2 3.23Å; I300-V304 WeakPolarHBondContact O-CG2 3.41Å; I300-V304 PolarHBondContact O-N 3.42Å; I300-L318 HydrophobicContact CG1-CD1 4.31Å |
| 301 | F | 93.7 | Very high | 92.3 | Very high | 18 Ų | 18 | 56.6 Ų | 56.6 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | -177.3 | -70.7 | -3.9 | 0 | 0 | 0 | 111.4 | S260 E264 F268 C287 R297 P298 A305 | S260-F301 WeakPolarHBondContact OG-CZ 3.27Å; E264-F301 HydrophobicContact CB-CE2 4.27Å; F268-F301 HydrophobicContact CB-CD2 3.91Å; F268-F301 HydrophobicContact CB-CE2 4.21Å; F268-F301 HydrophobicContact CB-CG 4.3Å; F268-F301 HydrophobicContact CD1-CD1 4.09Å; F268-F301 HydrophobicContact CD1-CD2 4.47Å; F268-F301 HydrophobicContact CD1-CE1 4.25Å; F268-F301 HydrophobicContact CD1-CG 4.21Å; F268-F301 HydrophobicContact CD1-CZ 4.49Å; F268-F301 HydrophobicContact CD2-CB 3.69Å; F268-F301 HydrophobicContact CD2-CD1 4.47Å; F268-F301 HydrophobicContact CD2-CD2 4.41Å; F268-F301 AromaticContact CD2-CG 3.98Å; F268-F301 HydrophobicContact CD2-CG 3.98Å; F268-F301 HydrophobicContact CE1-CD1 4.21Å; F268-F301 HydrophobicContact CE2-CB 3.97Å; F268-F301 HydrophobicContact CE2-CG 4.38Å; F268-F301 WeakPolarHBondContact CE2-O 3.3Å; F268-F301 HydrophobicContact CG-CB 4.12Å; F268-F301 HydrophobicContact CG-CD1 4.23Å; F268-F301 HydrophobicContact CG-CD2 4Å; F268-F301 HydrophobicContact CG-CE2 4.45Å; F268-F301 AromaticContact CG-CG 3.88Å; F268-F301 HydrophobicContact CG-CG 3.88Å; F268-F301 HydrophobicContact CZ-CD1 4.44Å; C287-F301 HydrophobicContact CB-CE1 4.33Å; R297-F301 HydrophobicContact CG-CD2 4.12Å; R297-F301 HydrophobicContact CG-CE1 4.2Å; R297-F301 HydrophobicContact CG-CE2 3.76Å; R297-F301 HydrophobicContact CG-CZ 3.81Å; R297-F301 PolarHBondContact O-N 3.26Å; P298-F301 PolarHBondContact O-N 2.99Å; F301-A305 VanDerWaalsContact O-CB 3.28Å; F301-A305 WeakPolarHBondContact O-CB 3.41Å; F301-A305 PolarHBondContact O-N 2.67Å |
| 302 | E | 93.2 | Very high | 92.3 | Very high | 114 Ų | 114 | 62 Ų | 62 | 53% | 0.533 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.4 | -50.9 | 172.4 | -168.8 | -170 | 151 | 0 | 0 | 111.9 | P298 Q299 I300 V304 A305 V306 | P298-E302 PolarHBondContact O-N 3.33Å; Q299-E302 PolarHBondContact O-N 3.03Å; I300-E302 VanDerWaalsContact C-N 3.34Å; I300-E302 PolarHBondContact O-N 3.23Å; E302-V304 PolarHBondContact O-N 3.01Å; E302-A305 PolarHBondContact O-N 3.3Å; E302-V306 WeakPolarHBondContact O-CG2 3.46Å; E302-V306 PolarHBondContact O-N 2.86Å |
| 303 | A | 93 | Very high | 92.3 | Very high | 3 Ų | 3 | 62.3 Ų | 62.3 | 3% | 0.025 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.2 | -42.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q299 I300 V306 E307 A314 R317 L318 | Q299-A303 VanDerWaalsContact O-CB 3.23Å; Q299-A303 WeakPolarHBondContact O-CB 3.18Å; Q299-A303 PolarHBondContact O-N 3.5Å; I300-A303 PolarHBondContact O-N 2.93Å; A303-V306 PolarHBondContact O-N 3.09Å; A303-E307 WeakPolarHBondContact O-CB 3.47Å; A303-E307 WeakPolarHBondContact O-CG 3.21Å; A303-E307 PolarHBondContact O-N 3.42Å; A303-A314 HydrophobicContact CB-CB 4.21Å; A303-R317 HydrophobicContact CB-CB 4.47Å; A303-L318 HydrophobicContact CB-CD1 4.29Å; A303-L318 HydrophobicContact CB-CD2 4.14Å; A303-L318 HydrophobicContact CB-CG 3.93Å |
| 304 | V | 94.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.1 | -35.3 | 178.2 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | F268 Y283 V286 L290 I300 E302 K308 G309 A314 | F268-V304 HydrophobicContact CZ-CB 4.13Å; F268-V304 HydrophobicContact CZ-CG1 3.89Å; Y283-V304 HydrophobicContact CD1-CG1 3.84Å; Y283-V304 HydrophobicContact CE1-CG1 4.3Å; Y283-V304 HydrophobicContact CG-CG1 4.3Å; V286-V304 HydrophobicContact CG1-CG2 3.9Å; L290-V304 HydrophobicContact CD1-CG2 3.47Å; L290-V304 VanDerWaalsContact CD1-CG2 3.47Å; I300-V304 HydrophobicContact CG2-CG2 4.1Å; I300-V304 WeakPolarHBondContact O-CB 3.49Å; I300-V304 VanDerWaalsContact O-CG2 3.23Å; I300-V304 WeakPolarHBondContact O-CG2 3.41Å; I300-V304 PolarHBondContact O-N 3.42Å; E302-V304 PolarHBondContact O-N 3.01Å; V304-K308 PolarHBondContact O-N 3.19Å; V304-K308 VanDerWaalsContact O-N 3.12Å; V304-G309 PolarHBondContact O-N 3.2Å; V304-A314 HydrophobicContact CG2-CB 4.27Å |
| 305 | A | 93 | Very high | 92.4 | Very high | 41 Ų | 41 | 56.9 Ų | 56.9 | 34% | 0.339 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.1 | -47.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F268 F301 E302 K308 | F268-A305 HydrophobicContact CE2-CB 4.13Å; F301-A305 VanDerWaalsContact O-CB 3.28Å; F301-A305 WeakPolarHBondContact O-CB 3.41Å; F301-A305 PolarHBondContact O-N 2.67Å; E302-A305 PolarHBondContact O-N 3.3Å; A305-K308 PolarHBondContact O-N 2.97Å |
| 306 | V | 92.8 | Very high | 92.4 | Very high | 70 Ų | 70 | 58.8 Ų | 58.8 | 42% | 0.424 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.5 | -45.6 | -178.3 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | E302 A303 K308 | E302-V306 WeakPolarHBondContact O-CG2 3.46Å; E302-V306 PolarHBondContact O-N 2.86Å; A303-V306 PolarHBondContact O-N 3.09Å; V306-K308 PolarHBondContact O-N 3.33Å |
| 307 | E | 93.2 | Very high | 92.4 | Very high | 21 Ų | 21 | 61.8 Ų | 61.8 | 10% | 0.098 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 12.6 | -178.8 | -51.5 | -53.4 | 156.5 | 0 | 0 | 113.4 | A303 G309 D310 R313 R317 | A303-E307 WeakPolarHBondContact O-CB 3.47Å; A303-E307 WeakPolarHBondContact O-CG 3.21Å; A303-E307 PolarHBondContact O-N 3.42Å; E307-G309 VanDerWaalsContact C-N 3.29Å; E307-G309 PolarHBondContact O-N 2.98Å; E307-D310 WeakPolarHBondContact O-CB 3.47Å; E307-D310 PolarHBondContact O-N 2.88Å; E307-R313 HydrophobicContact CB-CB 3.97Å; E307-R313 HydrophobicContact CG-CB 4.02Å; E307-R313 IonicContact OE2-CZ 2.99Å; E307-R313 IonicContact OE2-NE 3.33Å; E307-R313 IonicContact OE2-NH1 2.95Å; E307-R313 PolarHBondContact OE2-NH1 2.96Å; E307-R313 IonicContact OE2-NH2 3.51Å; E307-R313 PolarHBondContact OE2-NH2 2.99Å; E307-R317 IonicContact OE1-NH1 3.63Å; E307-R317 PolarHBondContact OE1-NH1 3.34Å |
| 308 | K | 91.1 | Very high | 92.4 | Very high | 167 Ų | 167 | 59.5 Ų | 59.5 | 73% | 0.726 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 35.5 | 172.6 | -59.1 | -177.8 | 179.7 | 178.5 | 0 | 115.3 | Y283 V304 A305 V306 | Y283-K308 VanDerWaalsContact CE2-C 3.49Å; Y283-K308 WeakPolarHBondContact CE2-O 3.15Å; Y283-K308 WeakPolarHBondContact OH-CA 3.18Å; Y283-K308 PolarHBondContact OH-O 2.95Å; V304-K308 PolarHBondContact O-N 3.19Å; V304-K308 VanDerWaalsContact O-N 3.12Å; A305-K308 PolarHBondContact O-N 2.97Å; V306-K308 PolarHBondContact O-N 3.33Å |
| 309 | G | 88.6 | Confident | 92.3 | Very high | 10 Ų | 10 | 60 Ų | 60 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 5.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | V304 E307 Q311 | V304-G309 PolarHBondContact O-N 3.2Å; E307-G309 VanDerWaalsContact C-N 3.29Å; E307-G309 PolarHBondContact O-N 2.98Å; G309-Q311 PolarHBondContact O-N 2.93Å |
| 310 | D | 93 | Very high | 91.6 | Very high | 63 Ų | 63 | 60.6 Ų | 60.6 | 34% | 0.337 | 31% | 0.312 | S | S | . | . | trans | -75.3 | 113.5 | 171.2 | -174.6 | -38.6 | 0 | 0 | 0 | 110.6 | E307 N312 R313 A314 | E307-D310 WeakPolarHBondContact O-CB 3.47Å; E307-D310 PolarHBondContact O-N 2.88Å; D310-N312 PolarHBondContact O-N 2.93Å; D310-N312 PolarHBondContact OD1-N 3.17Å; D310-R313 HydrophobicContact CB-CB 4.05Å; D310-R313 HydrophobicContact CB-CG 4.26Å; D310-R313 PolarHBondContact OD1-N 2.95Å; D310-R313 WeakPolarHBondContact OD2-CD 3.38Å; D310-R313 WeakPolarHBondContact OD2-CG 3.41Å; D310-A314 WeakPolarHBondContact O-CB 3.47Å; D310-A314 PolarHBondContact O-N 3.22Å | ||
| 311 | Q | 92.7 | Very high | 90 | Very high | 58 Ų | 58 | 68.1 Ų | 68.1 | 27% | 0.271 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | -179.5 | -171.2 | 177.1 | -69.9 | 0 | 0 | 113 | V286 N289 G309 L315 | V286-Q311 HydrophobicContact CB-CB 4.5Å; V286-Q311 HydrophobicContact CG1-CB 3.85Å; V286-Q311 HydrophobicContact CG1-CG 4.09Å; V286-Q311 HydrophobicContact CG2-CB 3.92Å; N289-Q311 PolarHBondContact ND2-OE1 3.26Å; G309-Q311 PolarHBondContact O-N 2.93Å; Q311-L315 HydrophobicContact CG-CD1 4.29Å; Q311-L315 WeakPolarHBondContact O-CB 3.42Å; Q311-L315 VanDerWaalsContact O-CG 3.29Å; Q311-L315 WeakPolarHBondContact O-CG 3.37Å; Q311-L315 PolarHBondContact O-N 2.66Å |
| 312 | N | 93.2 | Very high | 87.6 | Confident | 114 Ų | 114 | 76.2 Ų | 76.2 | 61% | 0.61 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -72.8 | -43.7 | -175.2 | -67.4 | -30.6 | 0 | 0 | 0 | 110.1 | D310 L315 S316 | D310-N312 PolarHBondContact O-N 2.93Å; D310-N312 PolarHBondContact OD1-N 3.17Å; N312-L315 WeakPolarHBondContact O-CB 3.29Å; N312-L315 PolarHBondContact O-N 2.72Å; N312-S316 PolarHBondContact O-N 3.43Å; N312-S316 PolarHBondContact O-OG 2.96Å |
| 313 | R | 93 | Very high | 87.3 | Confident | 133 Ų | 133 | 74.3 Ų | 74.3 | 50% | 0.502 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.3 | -38 | 177 | -61.5 | 179.2 | 71.7 | -118.1 | -16.2 | 111.4 | E307 D310 S316 R317 | E307-R313 HydrophobicContact CB-CB 3.97Å; E307-R313 HydrophobicContact CG-CB 4.02Å; E307-R313 IonicContact OE2-CZ 2.99Å; E307-R313 IonicContact OE2-NE 3.33Å; E307-R313 IonicContact OE2-NH1 2.95Å; E307-R313 PolarHBondContact OE2-NH1 2.96Å; E307-R313 IonicContact OE2-NH2 3.51Å; E307-R313 PolarHBondContact OE2-NH2 2.99Å; D310-R313 HydrophobicContact CB-CB 4.05Å; D310-R313 HydrophobicContact CB-CG 4.26Å; D310-R313 PolarHBondContact OD1-N 2.95Å; D310-R313 WeakPolarHBondContact OD2-CD 3.38Å; D310-R313 WeakPolarHBondContact OD2-CG 3.41Å; R313-S316 PolarHBondContact O-N 2.86Å; R313-R317 PolarHBondContact O-N 3.48Å; R313-R317 VanDerWaalsContact O-N 3.09Å |
| 314 | A | 93.1 | Very high | 87 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L290 A303 V304 D310 R317 L318 | L290-A314 HydrophobicContact CD1-CB 4.06Å; A303-A314 HydrophobicContact CB-CB 4.21Å; V304-A314 HydrophobicContact CG2-CB 4.27Å; D310-A314 WeakPolarHBondContact O-CB 3.47Å; D310-A314 PolarHBondContact O-N 3.22Å; A314-R317 PolarHBondContact O-N 3.21Å; A314-L318 WeakPolarHBondContact O-CB 3.49Å; A314-L318 VanDerWaalsContact O-CG 3.27Å; A314-L318 WeakPolarHBondContact O-CG 3.18Å; A314-L318 PolarHBondContact O-N 3.05Å |
| 315 | L | 92.9 | Very high | 86.6 | Confident | 32 Ų | 32 | 82.4 Ų | 82.4 | 17% | 0.168 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 173.1 | -79.1 | 170.3 | 0 | 0 | 0 | 112.4 | L290 M293 F295 Q311 N312 R317 L318 L319 | L290-L315 HydrophobicContact CD2-CD2 3.43Å; L290-L315 VanDerWaalsContact CD2-CD2 3.43Å; L290-L315 HydrophobicContact CD2-CG 3.74Å; M293-L315 HydrophobicContact CE-CD1 4.33Å; M293-L315 HydrophobicContact CE-CD2 4.09Å; M293-L315 HydrophobicContact SD-CD2 3.84Å; F295-L315 HydrophobicContact CE2-CD2 3.59Å; F295-L315 HydrophobicContact CZ-CD2 4.01Å; Q311-L315 HydrophobicContact CG-CD1 4.29Å; Q311-L315 WeakPolarHBondContact O-CB 3.42Å; Q311-L315 VanDerWaalsContact O-CG 3.29Å; Q311-L315 WeakPolarHBondContact O-CG 3.37Å; Q311-L315 PolarHBondContact O-N 2.66Å; N312-L315 WeakPolarHBondContact O-CB 3.29Å; N312-L315 PolarHBondContact O-N 2.72Å; L315-R317 PolarHBondContact O-N 3.36Å; L315-L318 PolarHBondContact O-N 2.89Å; L315-L318 VanDerWaalsContact O-N 3.13Å; L315-L319 WeakPolarHBondContact O-CB 3.38Å; L315-L319 WeakPolarHBondContact O-CG 3.42Å; L315-L319 PolarHBondContact O-N 2.82Å |
| 316 | S | 91.6 | Very high | 86.2 | Confident | 80 Ų | 80 | 84.8 Ų | 84.8 | 56% | 0.559 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.4 | -22.5 | 175.7 | -60.2 | 0 | 0 | 0 | 0 | 113.6 | N312 R313 | N312-S316 PolarHBondContact O-N 3.43Å; N312-S316 PolarHBondContact O-OG 2.96Å; R313-S316 PolarHBondContact O-N 2.86Å |
| 317 | R | 90.8 | Very high | 85.8 | Confident | 125 Ų | 125 | 85.8 Ų | 85.8 | 47% | 0.472 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -86.1 | -32.2 | 174.8 | -167.7 | -176.4 | -176.3 | 90.1 | 8.4 | 112.9 | A303 E307 R313 A314 L315 | A303-R317 HydrophobicContact CB-CB 4.47Å; E307-R317 IonicContact OE1-NH1 3.63Å; E307-R317 PolarHBondContact OE1-NH1 3.34Å; R313-R317 PolarHBondContact O-N 3.48Å; R313-R317 VanDerWaalsContact O-N 3.09Å; A314-R317 PolarHBondContact O-N 3.21Å; L315-R317 PolarHBondContact O-N 3.36Å |
| 318 | L | 90.4 | Very high | 85.3 | Confident | 20 Ų | 20 | 90.1 Ų | 90.1 | 11% | 0.105 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -82.3 | -29.7 | -179.9 | -73.1 | 168.4 | 0 | 0 | 0 | 113.1 | L290 F295 Q299 I300 A303 A314 L315 | L290-L318 HydrophobicContact CD1-CD1 4.12Å; L290-L318 HydrophobicContact CD2-CD1 3.86Å; L290-L318 HydrophobicContact CG-CD1 4.45Å; F295-L318 HydrophobicContact CB-CD1 4.37Å; F295-L318 HydrophobicContact CD1-CB 3.87Å; F295-L318 HydrophobicContact CD1-CD1 4.38Å; F295-L318 HydrophobicContact CD1-CD2 4.5Å; F295-L318 HydrophobicContact CD1-CG 4.49Å; F295-L318 HydrophobicContact CD2-CD1 4.28Å; F295-L318 HydrophobicContact CE1-CB 3.8Å; F295-L318 HydrophobicContact CG-CB 4.41Å; F295-L318 HydrophobicContact CG-CD1 4.1Å; F295-L318 HydrophobicContact CZ-CB 4.29Å; Q299-L318 HydrophobicContact CB-CD2 3.56Å; I300-L318 HydrophobicContact CG1-CD1 4.31Å; A303-L318 HydrophobicContact CB-CD1 4.29Å; A303-L318 HydrophobicContact CB-CD2 4.14Å; A303-L318 HydrophobicContact CB-CG 3.93Å; A314-L318 WeakPolarHBondContact O-CB 3.49Å; A314-L318 VanDerWaalsContact O-CG 3.27Å; A314-L318 WeakPolarHBondContact O-CG 3.18Å; A314-L318 PolarHBondContact O-N 3.05Å; L315-L318 PolarHBondContact O-N 2.89Å; L315-L318 VanDerWaalsContact O-N 3.13Å |
| 319 | L | 89.4 | Confident | 84.9 | Confident | 91 Ų | 91 | 84.6 Ų | 84.6 | 48% | 0.476 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -82.2 | 130 | 172 | -66.3 | 170.3 | 0 | 0 | 0 | 108.9 | F295 L315 N321 | F295-L319 HydrophobicContact CE1-CD2 4.1Å; F295-L319 HydrophobicContact CZ-CD2 3.86Å; F295-L319 HydrophobicContact CZ-CG 4.23Å; L315-L319 WeakPolarHBondContact O-CB 3.38Å; L315-L319 WeakPolarHBondContact O-CG 3.42Å; L315-L319 PolarHBondContact O-N 2.82Å; L319-N321 PolarHBondContact O-N 3.15Å |
| 320 | P | 77.4 | Confident | 84.6 | Confident | 113 Ų | 113 | 90.3 Ų | 90.3 | 73% | 0.734 | 49% | 0.491 | S | S | * | . | trans | -62.6 | 134.6 | 169.5 | 27.1 | -32.7 | 0 | 0 | 0 | 109.1 | S322 | P320-S322 PolarHBondContact O-N 2.88Š| ||
| 321 | N | 60.6 | Low | 83.9 | Confident | 158 Ų | 158 | 92.6 Ų | 92.6 | 85% | 0.845 | 50% | 0.504 | S | S | * | . | trans | -61.5 | 105.8 | 171.2 | -71.3 | -27.2 | 0 | 0 | 0 | 108.9 | L319 | L319-N321 PolarHBondContact O-N 3.15Š| ||
| 322 | S | 41.8 | Very low | 83.1 | Confident | 187 Ų | 187 | 95.7 Ų | 95.7 | 100% | 1.308 | 53% | 0.525 | S | S | * | . | trans | -89.3 | 0 | 173.8 | 63 | 0 | 0 | 0 | 0 | 111.6 | P320 | P320-S322 PolarHBondContact O-N 2.88Š|
Retrieved 322 of 322 residues in 54.2 ms
(Link to these results)