| 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 | 36.3 | Very low | 54.3 | Low | 217 Ų | 217 | 153.8 Ų | 153.8 | 100% | 1.069 | 77% | 0.769 | S | S | * | * | 0 | 92 | 0 | -75.4 | 170.3 | 64.4 | 0 | 0 | 109.9 | K3 | M1-K3 PolarHBondContact O-N 3.18Š| |||
| 2 | T | 42.4 | Very low | 55.2 | Low | 145 Ų | 145 | 150.9 Ų | 150.9 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | trans | -86.1 | 88.1 | 175.6 | 25.7 | 0 | 0 | 0 | 0 | 109.8 | G4 | T2-G4 PolarHBondContact O-N 2.67Š| ||
| 3 | K | 50.1 | Low | 55.6 | Low | 196 Ų | 196 | 149 Ų | 149 | 85% | 0.852 | 74% | 0.741 | S | S | * | * | trans | -80.9 | 68.4 | 163.4 | -71.4 | -166.5 | 179.7 | -176.8 | 0 | 109 | M1 | M1-K3 PolarHBondContact O-N 3.18Š| ||
| 4 | G | 49.6 | Very low | 56 | Low | 59 Ų | 59 | 147.4 Ų | 147.4 | 61% | 0.608 | 74% | 0.737 | S | S | * | * | trans | -85.1 | 108.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | T2 R6 | T2-G4 PolarHBondContact O-N 2.67Å; G4-R6 PolarHBondContact O-N 3.39Å; G4-R6 VanDerWaalsContact O-N 3.14Å | ||
| 5 | R | 57.8 | Low | 56.4 | Low | 208 Ų | 208 | 141.1 Ų | 141.1 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | trans | -22.9 | 102.9 | 168.6 | -164 | 179.7 | -170.8 | -155.7 | 2.8 | 114.1 | F7 | R5-F7 PolarHBondContact O-N 3.17Å; R5-F7 VanDerWaalsContact O-N 3.1Å | ||
| 6 | R | 55.5 | Low | 56.7 | Low | 255 Ų | 255 | 139.4 Ų | 139.4 | 96% | 0.962 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -80.5 | 33.2 | 173.4 | -62.9 | -164.2 | -166.9 | -172.7 | 4.7 | 113.7 | G4 | G4-R6 PolarHBondContact O-N 3.39Å; G4-R6 VanDerWaalsContact O-N 3.14Å |
| 7 | F | 54.6 | Low | 56.9 | Low | 157 Ų | 157 | 144.5 Ų | 144.5 | 69% | 0.689 | 71% | 0.714 | S | S | * | * | trans | -143.1 | 76.4 | -178.2 | -153 | -97 | 0 | 0 | 0 | 109.9 | R5 P9 | R5-F7 PolarHBondContact O-N 3.17Å; R5-F7 VanDerWaalsContact O-N 3.1Å; F7-P9 WeakPolarHBondContact O-CD 3.4Å | ||
| 8 | N | 58 | Low | 56.8 | Low | 140 Ų | 140 | 144.6 Ų | 144.6 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 118.1 | 157.2 | -76.5 | -16.9 | 0 | 0 | 0 | 106.4 | ||
| 9 | P | 63.6 | Low | 56.8 | Low | 78 Ų | 78 | 142.9 Ų | 142.9 | 51% | 0.506 | 71% | 0.712 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 142.7 | 171.3 | 23.7 | -29.8 | 0 | 0 | 0 | 109.1 | F7 L11 | F7-P9 WeakPolarHBondContact O-CD 3.4Å; P9-L11 PolarHBondContact O-N 3.45Å |
| 10 | P | 64.6 | Low | 56.9 | Low | 83 Ų | 83 | 144 Ų | 144 | 54% | 0.539 | 71% | 0.714 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 129.8 | 179.7 | 21.5 | -30.3 | 0 | 0 | 0 | 110.2 | D12 K13 | P10-D12 PolarHBondContact O-N 2.83Å; P10-D12 VanDerWaalsContact O-N 3.07Å; P10-K13 PolarHBondContact O-N 3.43Å |
| 11 | L | 64.6 | Low | 57 | Low | 154 Ų | 154 | 145 Ų | 145 | 81% | 0.806 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -55.9 | -28.4 | -177.3 | -148.7 | 84.3 | 0 | 0 | 0 | 112.6 | P9 K13 D14 | P9-L11 PolarHBondContact O-N 3.45Å; L11-K13 PolarHBondContact O-N 3.39Å; L11-K13 VanDerWaalsContact O-N 3.14Å; L11-D14 WeakPolarHBondContact O-CB 3.3Å; L11-D14 PolarHBondContact O-N 3.15Å; L11-D14 VanDerWaalsContact O-N 3.13Å |
| 12 | D | 65.5 | Low | 58 | Low | 119 Ų | 119 | 138.2 Ų | 138.2 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -60.4 | -20.6 | 176.5 | -179.8 | 49.6 | 0 | 0 | 0 | 113.8 | P10 R16 | P10-D12 PolarHBondContact O-N 2.83Å; P10-D12 VanDerWaalsContact O-N 3.07Å; D12-R16 PolarHBondContact O-NE 3.36Å; D12-R16 PolarHBondContact O-NH2 3.05Å; D12-R16 IonicContact OD1-NH2 3.53Å; D12-R16 IonicContact OD2-NH2 3.26Å; D12-R16 PolarHBondContact OD2-NH2 2.9Å |
| 13 | K | 59.8 | Low | 58.7 | Low | 126 Ų | 126 | 138.4 Ų | 138.4 | 55% | 0.548 | 70% | 0.701 | S | S | . | * | G | 310 helix | trans | -109.4 | 5.7 | 179.1 | -58.6 | -158.8 | 178.5 | -174.8 | 0 | 113.6 | P10 L11 G15 R16 | P10-K13 PolarHBondContact O-N 3.43Å; L11-K13 PolarHBondContact O-N 3.39Å; L11-K13 VanDerWaalsContact O-N 3.14Å; K13-G15 PolarHBondContact O-N 3.2Å; K13-R16 PolarHBondContact O-N 3.06Å |
| 14 | D | 61 | Low | 59.1 | Low | 126 Ų | 126 | 134.8 Ų | 134.8 | 67% | 0.674 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 127.3 | 177.8 | -140.4 | 11.3 | 0 | 0 | 0 | 109.5 | L11 | L11-D14 WeakPolarHBondContact O-CB 3.3Å; L11-D14 PolarHBondContact O-N 3.15Å; L11-D14 VanDerWaalsContact O-N 3.13Å |
| 15 | G | 62.6 | Low | 59.5 | Low | 53 Ų | 53 | 139 Ų | 139 | 55% | 0.546 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 87.1 | 2.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | K13 W17 | K13-G15 PolarHBondContact O-N 3.2Å; G15-W17 PolarHBondContact O-N 3.39Å |
| 16 | R | 60.6 | Low | 59.7 | Low | 115 Ų | 115 | 137.9 Ų | 137.9 | 43% | 0.434 | 70% | 0.7 | S | S | . | * | trans | -85.1 | 84.9 | 170.2 | -62.4 | -171.8 | -147.7 | -169.3 | 9.3 | 110.7 | D12 K13 | D12-R16 PolarHBondContact O-NE 3.36Å; D12-R16 PolarHBondContact O-NH2 3.05Å; D12-R16 IonicContact OD1-NH2 3.53Å; D12-R16 IonicContact OD2-NH2 3.26Å; D12-R16 PolarHBondContact OD2-NH2 2.9Å; K13-R16 PolarHBondContact O-N 3.06Å | ||
| 17 | W | 60.6 | Low | 60 | Low | 225 Ų | 225 | 131.4 Ų | 131.4 | 85% | 0.852 | 69% | 0.689 | S | S | * | * | trans | -78.8 | -16.3 | -178.9 | -64 | 87.7 | 0 | 0 | 0 | 113.8 | G15 | G15-W17 PolarHBondContact O-N 3.39Š| ||
| 18 | F | 55.3 | Low | 60.2 | Low | 146 Ų | 146 | 129.1 Ų | 129.1 | 64% | 0.64 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -142.6 | 147.3 | -179.9 | -62.6 | -79.5 | 0 | 0 | 0 | 112.6 | H20 | F18-H20 PolarHBondContact O-N 2.78Å; F18-H20 VanDerWaalsContact O-N 3.12Å |
| 19 | P | 57.1 | Low | 60.4 | Low | 114 Ų | 114 | 127 Ų | 127 | 74% | 0.74 | 68% | 0.678 | S | S | * | * | trans | -75.6 | 100.3 | 177.8 | 30 | -31.4 | 0 | 0 | 0 | 110.1 | I21 | P19-I21 PolarHBondContact O-N 3.31Å; P19-I21 VanDerWaalsContact O-N 3.1Å | ||
| 20 | H | 57.8 | Low | 60.6 | Low | 164 Ų | 164 | 126.4 Ų | 126.4 | 76% | 0.759 | 68% | 0.676 | S | S | * | * | trans | -76.5 | 95.5 | 166.8 | -63.4 | -72.1 | 0 | 0 | 0 | 108.5 | F18 G22 | F18-H20 PolarHBondContact O-N 2.78Å; F18-H20 VanDerWaalsContact O-N 3.12Å; H20-G22 PolarHBondContact O-N 3.1Å | ||
| 21 | I | 58.6 | Low | 60.8 | Low | 165 Ų | 165 | 129.1 Ų | 129.1 | 85% | 0.846 | 69% | 0.686 | S | S | * | * | trans | -68.3 | 119 | 169.4 | -76.5 | 161.7 | 0 | 0 | 0 | 108 | P19 | P19-I21 PolarHBondContact O-N 3.31Å; P19-I21 VanDerWaalsContact O-N 3.1Å | ||
| 22 | G | 58.1 | Low | 61.2 | Low | 75 Ų | 75 | 126.6 Ų | 126.6 | 77% | 0.773 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 97.1 | -2.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | H20 | H20-G22 PolarHBondContact O-N 3.1Š|
| 23 | L | 57.5 | Low | 61.4 | Low | 149 Ų | 149 | 127.7 Ų | 127.7 | 78% | 0.78 | 67% | 0.673 | S | S | * | * | trans | -101.6 | 110 | 175.2 | -123.5 | 75.6 | 0 | 0 | 0 | 110.8 | Q25 | L23-Q25 PolarHBondContact O-N 3.42Š| ||
| 24 | T | 58.1 | Low | 61.9 | Low | 120 Ų | 120 | 123.9 Ų | 123.9 | 74% | 0.736 | 67% | 0.665 | S | S | * | * | trans | -53.3 | 122.4 | 161.5 | 35.8 | 0 | 0 | 0 | 0 | 107.7 | K26 | T24-K26 PolarHBondContact O-N 2.79Š| ||
| 25 | Q | 58.2 | Low | 62.3 | Low | 146 Ų | 146 | 123.7 Ų | 123.7 | 68% | 0.682 | 66% | 0.661 | S | S | * | * | trans | -64.8 | 82.4 | 174.6 | -75.6 | 178.8 | -14.5 | 0 | 0 | 108.6 | L23 T27 | L23-Q25 PolarHBondContact O-N 3.42Å; Q25-T27 PolarHBondContact O-N 3.28Å | ||
| 26 | K | 62.1 | Low | 62.8 | Low | 185 Ų | 185 | 127.7 Ų | 127.7 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | trans | -69.5 | 108.2 | 149.1 | -66.8 | -170.3 | -179 | -176.8 | 0 | 104.1 | T24 S28 | T24-K26 PolarHBondContact O-N 2.79Å; K26-S28 PolarHBondContact O-N 3.26Å | ||
| 27 | T | 61.4 | Low | 63.1 | Low | 119 Ų | 119 | 126.9 Ų | 126.9 | 73% | 0.73 | 67% | 0.669 | S | S | * | * | trans | -44.8 | 111.2 | 169.8 | -44.5 | 0 | 0 | 0 | 0 | 107 | Q25 E29 | Q25-T27 PolarHBondContact O-N 3.28Å; T27-E29 PolarHBondContact O-N 3.3Å | ||
| 28 | S | 59.6 | Low | 63 | Low | 110 Ų | 110 | 120.8 Ų | 120.8 | 77% | 0.769 | 65% | 0.65 | S | S | * | * | trans | -63.1 | 112.4 | 179 | 65.9 | 0 | 0 | 0 | 0 | 106 | K26 S30 | K26-S28 PolarHBondContact O-N 3.26Å; S28-S30 PolarHBondContact O-N 3.47Å | ||
| 29 | E | 61.3 | Low | 63.3 | Low | 94 Ų | 94 | 119.2 Ų | 119.2 | 44% | 0.439 | 65% | 0.654 | S | S | . | * | trans | -61.7 | 128.1 | 176.5 | -59.9 | -159.7 | 152.4 | 0 | 0 | 107.5 | T27 K37 | T27-E29 PolarHBondContact O-N 3.3Å; E29-K37 IonicContact OE1-NZ 2.62Å; E29-K37 PolarHBondContact OE1-NZ 3.23Å; E29-K37 IonicContact OE2-NZ 2.88Å; E29-K37 PolarHBondContact OE2-NZ 3.48Å | ||
| 30 | S | 67.9 | Low | 63.4 | Low | 66 Ų | 66 | 122.3 Ų | 122.3 | 46% | 0.462 | 66% | 0.659 | S | S | . | * | trans | -61.5 | 147.3 | 174.8 | 61.4 | 0 | 0 | 0 | 0 | 109.2 | S28 T32 R33 A34 | S28-S30 PolarHBondContact O-N 3.47Å; S30-T32 PolarHBondContact O-N 2.94Å; S30-R33 WeakPolarHBondContact O-CA 3.1Å; S30-R33 PolarHBondContact O-N 3.49Å; S30-R33 WeakPolarHBondContact OG-CB 3.46Å; S30-R33 PolarHBondContact OG-N 3.18Å; S30-A34 PolarHBondContact O-N 3.25Å | ||
| 31 | N | 68.8 | Low | 63.4 | Low | 140 Ų | 140 | 117 Ų | 117 | 75% | 0.749 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -50.7 | -37.2 | 177.9 | -69.3 | -16.9 | 0 | 0 | 0 | 111.6 | A34 M35 | N31-A34 PolarHBondContact O-N 2.7Å; N31-M35 VanDerWaalsContact O-CG 3.26Å; N31-M35 WeakPolarHBondContact O-CG 3.34Å; N31-M35 PolarHBondContact O-N 3.27Å |
| 32 | T | 72.9 | Confident | 63.4 | Low | 101 Ų | 101 | 114.5 Ų | 114.5 | 62% | 0.62 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -61.5 | -44 | 174.8 | -41.2 | 0 | 0 | 0 | 0 | 112.9 | S30 A34 M35 L36 | S30-T32 PolarHBondContact O-N 2.94Å; T32-A34 VanDerWaalsContact C-N 3.34Å; T32-M35 PolarHBondContact O-N 2.85Å; T32-L36 HydrophobicContact CG2-CD1 4.23Å; T32-L36 WeakPolarHBondContact O-CD1 3.17Å; T32-L36 PolarHBondContact O-N 3.1Å; T32-L36 VanDerWaalsContact O-N 3.12Å |
| 33 | R | 70.1 | Confident | 63.4 | Low | 143 Ų | 143 | 117.1 Ų | 117.1 | 54% | 0.54 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -70.3 | -32.3 | 178.9 | -170.6 | 174.8 | -175.9 | 175.3 | -1 | 112 | S30 K37 | S30-R33 WeakPolarHBondContact O-CA 3.1Å; S30-R33 PolarHBondContact O-N 3.49Å; S30-R33 WeakPolarHBondContact OG-CB 3.46Å; S30-R33 PolarHBondContact OG-N 3.18Å; R33-K37 WeakPolarHBondContact O-CG 3.4Å |
| 34 | A | 70 | Confident | 63.3 | Low | 46 Ų | 46 | 112 Ų | 112 | 38% | 0.38 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.2 | -46.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S30 N31 T32 L36 K37 E38 | S30-A34 PolarHBondContact O-N 3.25Å; N31-A34 PolarHBondContact O-N 2.7Å; T32-A34 VanDerWaalsContact C-N 3.34Å; A34-L36 VanDerWaalsContact C-N 3.32Å; A34-L36 PolarHBondContact O-N 2.65Å; A34-K37 PolarHBondContact O-N 3.37Å; A34-K37 VanDerWaalsContact O-N 3.14Å; A34-E38 PolarHBondContact O-N 3.38Å |
| 35 | M | 70.2 | Confident | 63.1 | Low | 122 Ų | 122 | 109.9 Ų | 109.9 | 60% | 0.601 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.1 | -35.7 | 177.6 | -64.8 | -134.1 | 80.4 | 0 | 0 | 112.8 | N31 T32 K37 E38 | N31-M35 VanDerWaalsContact O-CG 3.26Å; N31-M35 WeakPolarHBondContact O-CG 3.34Å; N31-M35 PolarHBondContact O-N 3.27Å; T32-M35 PolarHBondContact O-N 2.85Å; M35-K37 PolarHBondContact O-N 3.19Å; M35-E38 WeakPolarHBondContact CE-OE2 3.49Å; M35-E38 WeakPolarHBondContact O-CB 3.16Å; M35-E38 PolarHBondContact O-N 3.03Å |
| 36 | L | 72.6 | Confident | 62.9 | Low | 136 Ų | 136 | 112.4 Ų | 112.4 | 71% | 0.712 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.8 | -22.1 | 176.2 | -102.8 | 122.9 | 0 | 0 | 0 | 114 | T32 A34 P39 | T32-L36 HydrophobicContact CG2-CD1 4.23Å; T32-L36 WeakPolarHBondContact O-CD1 3.17Å; T32-L36 PolarHBondContact O-N 3.1Å; T32-L36 VanDerWaalsContact O-N 3.12Å; A34-L36 VanDerWaalsContact C-N 3.32Å; A34-L36 PolarHBondContact O-N 2.65Å; L36-P39 WeakPolarHBondContact O-CD 3.49Å |
| 37 | K | 66.4 | Low | 62.7 | Low | 99 Ų | 99 | 108.8 Ų | 108.8 | 43% | 0.43 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -92.9 | -16.9 | 178 | -68.3 | 177.9 | -178.5 | 178.4 | 0 | 113.4 | E29 R33 A34 M35 P39 Q40 | E29-K37 IonicContact OE1-NZ 2.62Å; E29-K37 PolarHBondContact OE1-NZ 3.23Å; E29-K37 IonicContact OE2-NZ 2.88Å; E29-K37 PolarHBondContact OE2-NZ 3.48Å; R33-K37 WeakPolarHBondContact O-CG 3.4Å; A34-K37 PolarHBondContact O-N 3.37Å; A34-K37 VanDerWaalsContact O-N 3.14Å; M35-K37 PolarHBondContact O-N 3.19Å; K37-P39 VanDerWaalsContact C-N 3.31Å; K37-Q40 PolarHBondContact O-N 3.05Å |
| 38 | E | 59.3 | Low | 62.6 | Low | 97 Ų | 97 | 107.2 Ų | 107.2 | 45% | 0.453 | 57% | 0.571 | S | S | . | * | G | 310 helix | trans | -55.1 | -33.5 | 179.9 | -159.5 | 170.5 | -171.9 | 0 | 0 | 114.6 | A34 M35 Q40 | A34-E38 PolarHBondContact O-N 3.38Å; M35-E38 WeakPolarHBondContact CE-OE2 3.49Å; M35-E38 WeakPolarHBondContact O-CB 3.16Å; M35-E38 PolarHBondContact O-N 3.03Å; E38-Q40 PolarHBondContact O-N 3.03Å |
| 39 | P | 61.2 | Low | 62.6 | Low | 112 Ų | 112 | 107.2 Ų | 107.2 | 73% | 0.727 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -68 | -14.9 | 178.2 | -19.8 | 32 | 0 | 0 | 0 | 115.1 | L36 K37 | L36-P39 WeakPolarHBondContact O-CD 3.49Å; K37-P39 VanDerWaalsContact C-N 3.31Å |
| 40 | Q | 58.8 | Low | 62.7 | Low | 180 Ų | 180 | 105.8 Ų | 105.8 | 84% | 0.841 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -101.7 | -2.7 | -174.4 | -73.3 | -162.4 | -8.7 | 0 | 0 | 114.7 | K37 E38 P42 | K37-Q40 PolarHBondContact O-N 3.05Å; E38-Q40 PolarHBondContact O-N 3.03Å; Q40-P42 WeakPolarHBondContact O-CD 3.43Å |
| 41 | S | 58 | Low | 62.8 | Low | 53 Ų | 53 | 109.9 Ų | 109.9 | 37% | 0.371 | 58% | 0.579 | S | S | . | * | trans | -98.9 | 114.4 | 179.3 | 75.5 | 0 | 0 | 0 | 0 | 111.2 | H43 S44 | S41-H43 PolarHBondContact O-N 3.19Å; S41-S44 PolarHBondContact O-N 3.25Å; S41-S44 PolarHBondContact O-OG 3.4Å | ||
| 42 | P | 59.8 | Low | 62.7 | Low | 112 Ų | 112 | 106.9 Ų | 106.9 | 73% | 0.727 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -2.8 | 178.1 | 25.5 | -32.2 | 0 | 0 | 0 | 114 | Q40 | Q40-P42 WeakPolarHBondContact O-CD 3.43Š|
| 43 | H | 57.5 | Low | 62.9 | Low | 129 Ų | 129 | 105.1 Ų | 105.1 | 60% | 0.597 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | 5.3 | -177.6 | -69.7 | -56.9 | 0 | 0 | 0 | 114.7 | S41 Q47 | S41-H43 PolarHBondContact O-N 3.19Å; H43-Q47 PolarHBondContact O-N 3.41Å |
| 44 | S | 55.7 | Low | 63.1 | Low | 42 Ų | 42 | 103.2 Ų | 103.2 | 29% | 0.294 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.6 | -40.4 | -174.2 | 56.3 | 0 | 0 | 0 | 0 | 115.9 | S41 W46 | S41-S44 PolarHBondContact O-N 3.25Å; S41-S44 PolarHBondContact O-OG 3.4Å; S44-W46 PolarHBondContact O-N 3.05Å |
| 45 | P | 54.4 | Low | 63.3 | Low | 76 Ų | 76 | 106.1 Ų | 106.1 | 49% | 0.494 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.2 | -39 | -177 | 24.6 | -30.4 | 0 | 0 | 0 | 111.7 | Q47 V48 | P45-Q47 PolarHBondContact O-N 3.11Å; P45-V48 PolarHBondContact O-N 3Å |
| 46 | W | 54 | Low | 63.3 | Low | 198 Ų | 198 | 106.3 Ų | 106.3 | 75% | 0.75 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.7 | -25.5 | -177.2 | -60.1 | 95.1 | 0 | 0 | 0 | 114 | S44 | S44-W46 PolarHBondContact O-N 3.05Å |
| 47 | Q | 57.7 | Low | 63.3 | Low | 110 Ų | 110 | 103.9 Ų | 103.9 | 51% | 0.514 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -75.3 | -27.4 | 177.3 | -79.9 | -165.9 | 18.9 | 0 | 0 | 113.4 | H43 P45 K51 | H43-Q47 PolarHBondContact O-N 3.41Å; P45-Q47 PolarHBondContact O-N 3.11Å; Q47-K51 WeakPolarHBondContact O-CD 3.22Å; Q47-K51 VanDerWaalsContact O-CG 3.27Å; Q47-K51 WeakPolarHBondContact O-CG 3.44Å |
| 48 | V | 57.7 | Low | 63.7 | Low | 85 Ų | 85 | 103.6 Ų | 103.6 | 52% | 0.515 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.3 | -43.4 | 179 | 178 | 0 | 0 | 0 | 0 | 109.8 | P45 G50 K51 L52 | P45-V48 PolarHBondContact O-N 3Å; V48-G50 VanDerWaalsContact C-N 3.27Å; V48-G50 PolarHBondContact O-N 2.84Å; V48-K51 PolarHBondContact O-N 2.85Å; V48-K51 VanDerWaalsContact O-N 3.12Å; V48-L52 HydrophobicContact CG1-CD1 4.39Å; V48-L52 WeakPolarHBondContact O-CG 3.36Å; V48-L52 PolarHBondContact O-N 2.61Å |
| 49 | E | 61.1 | Low | 64.2 | Low | 111 Ų | 111 | 106 Ų | 106 | 52% | 0.519 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.2 | -33.8 | -179.4 | -145.5 | 108.7 | -155.2 | 0 | 0 | 113.4 | K57 | E49-K57 WeakPolarHBondContact O-CE 3.49Å; E49-K57 PolarHBondContact O-NZ 3.09Å |
| 50 | G | 63 | Low | 64.6 | Low | 64 Ų | 64 | 106.2 Ų | 106.2 | 66% | 0.66 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -79.7 | -21.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V48 | V48-G50 VanDerWaalsContact C-N 3.27Å; V48-G50 PolarHBondContact O-N 2.84Å |
| 51 | K | 69.1 | Low | 65.2 | Low | 152 Ų | 152 | 105.2 Ų | 105.2 | 66% | 0.661 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -95.3 | -13.6 | -175.5 | -70.3 | 176.7 | -170.5 | 174.6 | 0 | 113.7 | Q47 V48 P53 | Q47-K51 WeakPolarHBondContact O-CD 3.22Å; Q47-K51 VanDerWaalsContact O-CG 3.27Å; Q47-K51 WeakPolarHBondContact O-CG 3.44Å; V48-K51 PolarHBondContact O-N 2.85Å; V48-K51 VanDerWaalsContact O-N 3.12Å; K51-P53 WeakPolarHBondContact O-CD 3.45Å |
| 52 | L | 67.9 | Low | 65.7 | Low | 76 Ų | 76 | 108.4 Ų | 108.4 | 40% | 0.398 | 55% | 0.55 | S | S | . | . | S | Bend | trans | -74.2 | 128.6 | 179.3 | -70.8 | 172.5 | 0 | 0 | 0 | 110.8 | V48 | V48-L52 HydrophobicContact CG1-CD1 4.39Å; V48-L52 WeakPolarHBondContact O-CG 3.36Å; V48-L52 PolarHBondContact O-N 2.61Å |
| 53 | P | 77.1 | Confident | 66 | Low | 64 Ų | 64 | 105 Ų | 105 | 42% | 0.416 | 53% | 0.531 | S | S | . | . | trans | -52.8 | 144.5 | 172.8 | -26.5 | 32.9 | 0 | 0 | 0 | 111.5 | K51 I55 Y56 | K51-P53 WeakPolarHBondContact O-CD 3.45Å; P53-I55 PolarHBondContact O-N 3.03Å; P53-Y56 HydrophobicContact CB-CD2 3.9Å; P53-Y56 HydrophobicContact CB-CE2 4.2Å; P53-Y56 HydrophobicContact CG-CD2 3.95Å; P53-Y56 HydrophobicContact CG-CE2 3.96Å; P53-Y56 PolarHBondContact O-N 3.05Å | ||
| 54 | P | 73.4 | Confident | 66.3 | Low | 103 Ų | 103 | 104.5 Ų | 104.5 | 67% | 0.669 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -53 | -29.2 | -176.2 | -27.8 | 34.1 | 0 | 0 | 0 | 114.4 | Y56 K57 V58 | P54-Y56 VanDerWaalsContact C-N 3.27Å; P54-Y56 PolarHBondContact O-N 3.34Å; P54-K57 PolarHBondContact O-N 3.05Å; P54-V58 PolarHBondContact O-N 3.32Å |
| 55 | I | 73.9 | Confident | 66.7 | Low | 108 Ų | 108 | 109.4 Ų | 109.4 | 55% | 0.554 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -58.2 | -37.8 | 178.1 | -59.2 | 170.7 | 0 | 0 | 0 | 111.7 | P53 V58 R59 | P53-I55 PolarHBondContact O-N 3.03Å; I55-V58 PolarHBondContact O-N 2.91Å; I55-R59 WeakPolarHBondContact O-CG 3.39Å; I55-R59 PolarHBondContact O-N 3.44Å |
| 56 | Y | 71.1 | Confident | 67.3 | Low | 125 Ų | 125 | 109.2 Ų | 109.2 | 49% | 0.49 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72.5 | -35 | -179.5 | -68.1 | -80 | 0 | 0 | 0 | 112.1 | P53 P54 V58 R59 E60 | P53-Y56 HydrophobicContact CB-CD2 3.9Å; P53-Y56 HydrophobicContact CB-CE2 4.2Å; P53-Y56 HydrophobicContact CG-CD2 3.95Å; P53-Y56 HydrophobicContact CG-CE2 3.96Å; P53-Y56 PolarHBondContact O-N 3.05Å; P54-Y56 VanDerWaalsContact C-N 3.27Å; P54-Y56 PolarHBondContact O-N 3.34Å; Y56-V58 VanDerWaalsContact C-N 3.32Å; Y56-V58 PolarHBondContact O-N 3.15Å; Y56-R59 PolarHBondContact O-N 2.76Å; Y56-E60 PolarHBondContact O-N 3.45Å |
| 57 | K | 72.9 | Confident | 68.1 | Low | 86 Ų | 86 | 109 Ų | 109 | 37% | 0.374 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.9 | -36.5 | 174.3 | -60.9 | -174.8 | 178.9 | -173.2 | 0 | 112.2 | E49 P54 K61 | E49-K57 WeakPolarHBondContact O-CE 3.49Å; E49-K57 PolarHBondContact O-NZ 3.09Å; P54-K57 PolarHBondContact O-N 3.05Å; K57-K61 WeakPolarHBondContact O-CG 2.86Å; K57-K61 PolarHBondContact O-N 2.98Å |
| 58 | V | 73.6 | Confident | 68.6 | Low | 93 Ų | 93 | 110.3 Ų | 110.3 | 56% | 0.564 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.7 | -43 | 175.4 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | P54 I55 Y56 E60 K61 Q62 | P54-V58 PolarHBondContact O-N 3.32Å; I55-V58 PolarHBondContact O-N 2.91Å; Y56-V58 VanDerWaalsContact C-N 3.32Å; Y56-V58 PolarHBondContact O-N 3.15Å; V58-E60 PolarHBondContact O-N 3.03Å; V58-K61 PolarHBondContact O-N 3.36Å; V58-Q62 WeakPolarHBondContact O-CB 3.44Å; V58-Q62 PolarHBondContact O-N 3.4Å |
| 59 | R | 71.1 | Confident | 69.2 | Low | 147 Ų | 147 | 111.8 Ų | 111.8 | 56% | 0.555 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.4 | -41.4 | 176.9 | -75.8 | 177.3 | -178.7 | -176.2 | 0.5 | 112.6 | I55 Y56 Q62 A63 | I55-R59 WeakPolarHBondContact O-CG 3.39Å; I55-R59 PolarHBondContact O-N 3.44Å; Y56-R59 PolarHBondContact O-N 2.76Å; R59-Q62 PolarHBondContact O-N 3.02Å; R59-A63 VanDerWaalsContact O-CB 3.26Å; R59-A63 WeakPolarHBondContact O-CB 3.1Å; R59-A63 PolarHBondContact O-N 3.38Å |
| 60 | E | 69.8 | Low | 69.5 | Low | 116 Ų | 116 | 112.7 Ų | 112.7 | 54% | 0.542 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.7 | -47.4 | 176.9 | -175.8 | 177.1 | -160.7 | 0 | 0 | 111.6 | Y56 V58 Q62 A63 V64 | Y56-E60 PolarHBondContact O-N 3.45Å; V58-E60 PolarHBondContact O-N 3.03Å; E60-Q62 VanDerWaalsContact C-N 3.26Å; E60-Q62 PolarHBondContact O-N 3.29Å; E60-A63 WeakPolarHBondContact O-CB 3.13Å; E60-A63 PolarHBondContact O-N 3.26Å; E60-V64 WeakPolarHBondContact O-CG2 3.41Å; E60-V64 PolarHBondContact O-N 2.86Å |
| 61 | K | 69.9 | Low | 69.8 | Low | 159 Ų | 159 | 112.4 Ų | 112.4 | 69% | 0.691 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59.9 | -37.6 | 175.3 | -71.6 | -178.6 | 179.4 | -170.7 | 0 | 112.6 | K57 V58 N65 | K57-K61 WeakPolarHBondContact O-CG 2.86Å; K57-K61 PolarHBondContact O-N 2.98Å; V58-K61 PolarHBondContact O-N 3.36Å; K61-N65 PolarHBondContact O-N 3.23Å |
| 62 | Q | 68.6 | Low | 69.6 | Low | 121 Ų | 121 | 111.9 Ų | 111.9 | 57% | 0.565 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.3 | -38.5 | 174.7 | -168.1 | 176.2 | 7 | 0 | 0 | 111.5 | V58 R59 E60 N65 N66 | V58-Q62 WeakPolarHBondContact O-CB 3.44Å; V58-Q62 PolarHBondContact O-N 3.4Å; R59-Q62 PolarHBondContact O-N 3.02Å; E60-Q62 VanDerWaalsContact C-N 3.26Å; E60-Q62 PolarHBondContact O-N 3.29Å; Q62-N65 PolarHBondContact O-N 3.03Å; Q62-N66 WeakPolarHBondContact O-CB 3.27Å; Q62-N66 PolarHBondContact O-N 3.1Å; Q62-N66 VanDerWaalsContact O-N 3.17Å; Q62-N66 PolarHBondContact O-ND2 3.1Å; Q62-N66 VanDerWaalsContact O-ND2 3.11Å |
| 63 | A | 65.8 | Low | 69.9 | Low | 41 Ų | 41 | 115.6 Ų | 115.6 | 34% | 0.339 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.4 | -37.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R59 E60 N65 N66 F68 | R59-A63 VanDerWaalsContact O-CB 3.26Å; R59-A63 WeakPolarHBondContact O-CB 3.1Å; R59-A63 PolarHBondContact O-N 3.38Å; E60-A63 WeakPolarHBondContact O-CB 3.13Å; E60-A63 PolarHBondContact O-N 3.26Å; A63-N65 VanDerWaalsContact C-N 3.32Å; A63-N65 PolarHBondContact O-N 3.22Å; A63-N66 PolarHBondContact O-N 3.14Å; A63-N66 VanDerWaalsContact O-O 3.11Å; A63-F68 HydrophobicContact CB-CE2 3.81Å; A63-F68 HydrophobicContact CB-CZ 4.21Å; A63-F68 VanDerWaalsContact O-CE2 3.28Å; A63-F68 WeakPolarHBondContact O-CE2 3.38Å |
| 64 | V | 64.6 | Low | 69.7 | Low | 117 Ų | 117 | 116.5 Ų | 116.5 | 71% | 0.709 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.7 | -34.1 | 177.7 | 173 | 0 | 0 | 0 | 0 | 111.9 | E60 N66 | E60-V64 WeakPolarHBondContact O-CG2 3.41Å; E60-V64 PolarHBondContact O-N 2.86Å; V64-N66 VanDerWaalsContact C-N 3.35Å |
| 65 | N | 64.8 | Low | 69.5 | Low | 145 Ų | 145 | 116.2 Ų | 116.2 | 78% | 0.775 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -83.5 | -9.6 | 175.5 | -90.6 | -16 | 0 | 0 | 0 | 113.9 | K61 Q62 A63 | K61-N65 PolarHBondContact O-N 3.23Å; Q62-N65 PolarHBondContact O-N 3.03Å; A63-N65 VanDerWaalsContact C-N 3.32Å; A63-N65 PolarHBondContact O-N 3.22Å |
| 66 | N | 67.1 | Low | 69.4 | Low | 72 Ų | 72 | 120.1 Ų | 120.1 | 39% | 0.385 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -92.9 | 112.3 | 175.3 | -72 | -21.3 | 0 | 0 | 0 | 108.3 | Q62 A63 V64 F68 | Q62-N66 WeakPolarHBondContact O-CB 3.27Å; Q62-N66 PolarHBondContact O-N 3.1Å; Q62-N66 VanDerWaalsContact O-N 3.17Å; Q62-N66 PolarHBondContact O-ND2 3.1Å; Q62-N66 VanDerWaalsContact O-ND2 3.11Å; A63-N66 PolarHBondContact O-N 3.14Å; A63-N66 VanDerWaalsContact O-O 3.11Å; V64-N66 VanDerWaalsContact C-N 3.35Å; N66-F68 VanDerWaalsContact C-N 3.32Å; N66-F68 HydrophobicContact CB-CD1 4.34Å; N66-F68 HydrophobicContact CB-CD2 4.09Å; N66-F68 HydrophobicContact CB-CE1 3.87Å; N66-F68 HydrophobicContact CB-CE2 3.6Å; N66-F68 HydrophobicContact CB-CG 4.45Å; N66-F68 HydrophobicContact CB-CZ 3.48Å; N66-F68 VanDerWaalsContact CB-CZ 3.48Å; N66-F68 VanDerWaalsContact O-CD2 3.28Å; N66-F68 WeakPolarHBondContact O-CD2 3.47Å; N66-F68 PolarHBondContact O-N 3.03Å |
| 67 | Q | 69.6 | Low | 69.3 | Low | 194 Ų | 194 | 118.7 Ų | 118.7 | 91% | 0.907 | 59% | 0.592 | S | S | * | * | trans | -66.3 | 100.2 | 160.9 | -128.7 | 158.4 | -6.7 | 0 | 0 | 106.3 | P69 | Q67-P69 WeakPolarHBondContact O-CD 3.39Š| ||
| 68 | F | 68.3 | Low | 69 | Low | 138 Ų | 138 | 118.1 Ų | 118.1 | 61% | 0.605 | 60% | 0.598 | S | S | * | * | trans | -84.1 | 96.4 | 170.8 | -62.8 | -74.8 | 0 | 0 | 0 | 106.9 | A63 N66 F70 | A63-F68 HydrophobicContact CB-CE2 3.81Å; A63-F68 HydrophobicContact CB-CZ 4.21Å; A63-F68 VanDerWaalsContact O-CE2 3.28Å; A63-F68 WeakPolarHBondContact O-CE2 3.38Å; N66-F68 VanDerWaalsContact C-N 3.32Å; N66-F68 HydrophobicContact CB-CD1 4.34Å; N66-F68 HydrophobicContact CB-CD2 4.09Å; N66-F68 HydrophobicContact CB-CE1 3.87Å; N66-F68 HydrophobicContact CB-CE2 3.6Å; N66-F68 HydrophobicContact CB-CG 4.45Å; N66-F68 HydrophobicContact CB-CZ 3.48Å; N66-F68 VanDerWaalsContact CB-CZ 3.48Å; N66-F68 VanDerWaalsContact O-CD2 3.28Å; N66-F68 WeakPolarHBondContact O-CD2 3.47Å; N66-F68 PolarHBondContact O-N 3.03Å; F68-F70 PolarHBondContact O-N 3.12Å | ||
| 69 | P | 70.5 | Confident | 68.6 | Low | 116 Ų | 116 | 119.4 Ų | 119.4 | 75% | 0.753 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 134.1 | 171.7 | 27.8 | -34.7 | 0 | 0 | 0 | 107.2 | Q67 S71 | Q67-P69 WeakPolarHBondContact O-CD 3.39Å; P69-S71 PolarHBondContact O-N 3.19Å |
| 70 | F | 66.9 | Low | 68.4 | Low | 129 Ų | 129 | 118.8 Ų | 118.8 | 57% | 0.566 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 132.7 | 169.5 | -71.5 | -69.2 | 0 | 0 | 0 | 108.5 | F68 D74 H77 | F68-F70 PolarHBondContact O-N 3.12Å; F70-D74 WeakPolarHBondContact CA-OD2 3.26Å; F70-D74 HydrophobicContact CB-CB 4.03Å; F70-D74 HydrophobicContact CD1-CB 4.15Å; F70-H77 AromaticContact CD2-NE2 3.95Å; F70-H77 AromaticContact CE2-NE2 3.49Å; F70-H77 WeakPolarHBondContact CE2-NE2 3.36Å; F70-H77 AromaticContact CZ-NE2 3.81Å |
| 71 | S | 70.3 | Confident | 68.2 | Low | 58 Ų | 58 | 120.6 Ų | 120.6 | 41% | 0.406 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 148.7 | 174.2 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | P69 H73 D74 | P69-S71 PolarHBondContact O-N 3.19Å; S71-H73 PolarHBondContact O-N 3.27Å; S71-H73 PolarHBondContact OG-N 3.4Å; S71-D74 PolarHBondContact N-OD2 2.84Å; S71-D74 WeakPolarHBondContact O-CB 3.5Å; S71-D74 PolarHBondContact O-N 3.13Å |
| 72 | V | 65.5 | Low | 68 | Low | 141 Ų | 141 | 116.4 Ų | 116.4 | 86% | 0.855 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -16.6 | 170.8 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 73 | H | 72.7 | Confident | 67.7 | Low | 155 Ų | 155 | 113.5 Ų | 113.5 | 72% | 0.718 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -1.9 | 175 | -54.3 | -59.8 | 0 | 0 | 0 | 114.6 | S71 N75 | S71-H73 PolarHBondContact O-N 3.27Å; S71-H73 PolarHBondContact OG-N 3.4Å; H73-N75 PolarHBondContact O-N 3.25Å |
| 74 | D | 72.9 | Confident | 67.6 | Low | 82 Ų | 82 | 117.1 Ų | 117.1 | 44% | 0.439 | 63% | 0.633 | S | S | . | * | trans | -78.2 | 90.7 | 176.6 | -80.1 | -32.9 | 0 | 0 | 0 | 110.3 | F70 S71 R76 | F70-D74 WeakPolarHBondContact CA-OD2 3.26Å; F70-D74 HydrophobicContact CB-CB 4.03Å; F70-D74 HydrophobicContact CD1-CB 4.15Å; S71-D74 PolarHBondContact N-OD2 2.84Å; S71-D74 WeakPolarHBondContact O-CB 3.5Å; S71-D74 PolarHBondContact O-N 3.13Å; D74-R76 PolarHBondContact O-N 3.34Å | ||
| 75 | N | 70.4 | Confident | 67.3 | Low | 97 Ų | 97 | 120.5 Ų | 120.5 | 52% | 0.519 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.4 | 13.3 | -179.9 | -60.4 | -28.3 | 0 | 0 | 0 | 113.8 | H73 H77 S78 L79 | H73-N75 PolarHBondContact O-N 3.25Å; N75-H77 VanDerWaalsContact C-N 3.29Å; N75-H77 PolarHBondContact O-N 2.77Å; N75-S78 WeakPolarHBondContact O-CB 3.38Å; N75-S78 PolarHBondContact O-N 3.26Å; N75-L79 WeakPolarHBondContact O-CG 3.38Å; N75-L79 PolarHBondContact O-N 2.9Å |
| 76 | R | 71.1 | Confident | 67.1 | Low | 190 Ų | 190 | 118.8 Ų | 118.8 | 72% | 0.717 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -56.5 | -44.7 | -174.8 | -174.8 | 176.6 | -178.2 | 124.1 | 0.6 | 111.5 | D74 E80 | D74-R76 PolarHBondContact O-N 3.34Å; R76-E80 PolarHBondContact O-N 2.94Å |
| 77 | H | 68.4 | Low | 66.6 | Low | 95 Ų | 95 | 122 Ų | 122 | 44% | 0.44 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -79.9 | -23.3 | 177.4 | -64 | -60.8 | 0 | 0 | 0 | 113.1 | F70 N75 L79 E80 | F70-H77 AromaticContact CD2-NE2 3.95Å; F70-H77 AromaticContact CE2-NE2 3.49Å; F70-H77 WeakPolarHBondContact CE2-NE2 3.36Å; F70-H77 AromaticContact CZ-NE2 3.81Å; N75-H77 VanDerWaalsContact C-N 3.29Å; N75-H77 PolarHBondContact O-N 2.77Å; H77-L79 VanDerWaalsContact C-N 3.32Å; H77-E80 IonicContact CE1-OE2 3.88Å; H77-E80 IonicContact CG-OE2 3.98Å; H77-E80 IonicContact ND1-OE2 2.98Å; H77-E80 PolarHBondContact ND1-OE2 3.14Å |
| 78 | S | 67.8 | Low | 66.2 | Low | 74 Ų | 74 | 118.3 Ų | 118.3 | 52% | 0.517 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -69.2 | -31.9 | 175.2 | -49.5 | 0 | 0 | 0 | 0 | 112.3 | N75 S82 | N75-S78 WeakPolarHBondContact O-CB 3.38Å; N75-S78 PolarHBondContact O-N 3.26Å; S78-S82 PolarHBondContact O-OG 2.95Å |
| 79 | L | 64.1 | Low | 65.8 | Low | 121 Ų | 121 | 114.8 Ų | 114.8 | 63% | 0.634 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -90.1 | -13.2 | 179.4 | -62.7 | 174.2 | 0 | 0 | 0 | 113.4 | N75 H77 N81 | N75-L79 WeakPolarHBondContact O-CG 3.38Å; N75-L79 PolarHBondContact O-N 2.9Å; H77-L79 VanDerWaalsContact C-N 3.32Å; L79-N81 VanDerWaalsContact C-N 3.32Å; L79-N81 PolarHBondContact O-N 3.38Å |
| 80 | E | 67.5 | Low | 65.2 | Low | 134 Ų | 134 | 115.6 Ų | 115.6 | 63% | 0.626 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.1 | -35.5 | -178 | -168.2 | 168.9 | -172.6 | 0 | 0 | 112.2 | R76 H77 | R76-E80 PolarHBondContact O-N 2.94Å; H77-E80 IonicContact CE1-OE2 3.88Å; H77-E80 IonicContact CG-OE2 3.98Å; H77-E80 IonicContact ND1-OE2 2.98Å; H77-E80 PolarHBondContact ND1-OE2 3.14Å |
| 81 | N | 65.6 | Low | 65.1 | Low | 153 Ų | 153 | 112.2 Ų | 112.2 | 82% | 0.818 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -103.6 | -2 | -176.1 | -62.9 | -40.5 | 0 | 0 | 0 | 114 | L79 | L79-N81 VanDerWaalsContact C-N 3.32Å; L79-N81 PolarHBondContact O-N 3.38Å |
| 82 | S | 66.1 | Low | 64.7 | Low | 72 Ų | 72 | 121.2 Ų | 121.2 | 50% | 0.503 | 66% | 0.664 | S | S | . | * | trans | -131.1 | 73.1 | -175.8 | 62.8 | 0 | 0 | 0 | 0 | 111.9 | S78 C84 | S78-S82 PolarHBondContact O-OG 2.95Å; S82-C84 PolarHBondContact O-N 3.07Å | ||
| 83 | G | 62.1 | Low | 64.6 | Low | 59 Ų | 59 | 123.7 Ų | 123.7 | 61% | 0.608 | 66% | 0.664 | S | S | * | * | trans | -81.5 | 96 | 165 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y85 | G83-Y85 PolarHBondContact O-N 3.32Å; G83-Y85 VanDerWaalsContact O-N 3.08Å | ||
| 84 | C | 62.8 | Low | 64.3 | Low | 118 Ų | 118 | 125.8 Ų | 125.8 | 80% | 0.797 | 67% | 0.671 | S | S | * | * | trans | -71.7 | 101.2 | 164.3 | -92 | 0 | 0 | 0 | 0 | 108.6 | S82 L86 | S82-C84 PolarHBondContact O-N 3.07Å; C84-L86 PolarHBondContact O-N 2.9Å; C84-L86 VanDerWaalsContact O-N 3.13Å | ||
| 85 | Y | 58.6 | Low | 64 | Low | 188 Ų | 188 | 126.2 Ų | 126.2 | 74% | 0.737 | 67% | 0.672 | S | S | * | * | trans | -62.4 | 111.8 | 166.6 | -74.7 | -89.5 | 0 | 0 | 0 | 108.7 | G83 D87 | G83-Y85 PolarHBondContact O-N 3.32Å; G83-Y85 VanDerWaalsContact O-N 3.08Å; Y85-D87 PolarHBondContact O-N 3.23Å | ||
| 86 | L | 60.8 | Low | 64.1 | Low | 108 Ų | 108 | 124 Ų | 124 | 57% | 0.565 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 33.9 | 178.4 | -70.1 | 160.3 | 0 | 0 | 0 | 111.6 | C84 S88 L90 | C84-L86 PolarHBondContact O-N 2.9Å; C84-L86 VanDerWaalsContact O-N 3.13Å; L86-S88 PolarHBondContact O-N 3.18Å; L86-L90 HydrophobicContact CB-CB 4.45Å; L86-L90 HydrophobicContact CB-CD1 3.42Å; L86-L90 VanDerWaalsContact CB-CD1 3.42Å; L86-L90 HydrophobicContact CB-CG 3.75Å; L86-L90 HydrophobicContact CD1-CD1 3.32Å; L86-L90 HydrophobicContact CD1-CG 4.31Å; L86-L90 HydrophobicContact CD2-CD1 3.89Å; L86-L90 HydrophobicContact CD2-CD2 4.48Å; L86-L90 HydrophobicContact CD2-CG 3.98Å; L86-L90 HydrophobicContact CG-CD1 3.68Å; L86-L90 HydrophobicContact CG-CG 4.2Å |
| 87 | D | 57.4 | Low | 63.9 | Low | 139 Ų | 139 | 118.9 Ų | 118.9 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -15.2 | -175.8 | -58.3 | -7.6 | 0 | 0 | 0 | 111 | Y85 G89 | Y85-D87 PolarHBondContact O-N 3.23Å; D87-G89 PolarHBondContact O-N 2.73Å |
| 88 | S | 60.5 | Low | 63.8 | Low | 117 Ų | 117 | 120 Ų | 120 | 82% | 0.818 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 62.4 | 177.1 | 45.4 | 0 | 0 | 0 | 0 | 111.7 | L86 | L86-S88 PolarHBondContact O-N 3.18Š|
| 89 | G | 59.4 | Low | 63.8 | Low | 65 Ų | 65 | 124.5 Ų | 124.5 | 67% | 0.67 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 107.9 | 26.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | D87 G91 | D87-G89 PolarHBondContact O-N 2.73Å; G89-G91 PolarHBondContact O-N 3.16Å; G89-G91 VanDerWaalsContact O-N 3.16Å |
| 90 | L | 58.4 | Low | 64.1 | Low | 133 Ų | 133 | 124.5 Ų | 124.5 | 70% | 0.696 | 67% | 0.67 | S | S | * | * | trans | -74.3 | 102.8 | 158.8 | -78.1 | -168.8 | 0 | 0 | 0 | 111.2 | L86 | L86-L90 HydrophobicContact CB-CB 4.45Å; L86-L90 HydrophobicContact CB-CD1 3.42Å; L86-L90 VanDerWaalsContact CB-CD1 3.42Å; L86-L90 HydrophobicContact CB-CG 3.75Å; L86-L90 HydrophobicContact CD1-CD1 3.32Å; L86-L90 HydrophobicContact CD1-CG 4.31Å; L86-L90 HydrophobicContact CD2-CD1 3.89Å; L86-L90 HydrophobicContact CD2-CD2 4.48Å; L86-L90 HydrophobicContact CD2-CG 3.98Å; L86-L90 HydrophobicContact CG-CD1 3.68Å; L86-L90 HydrophobicContact CG-CG 4.2Å | ||
| 91 | G | 65.3 | Low | 63.9 | Low | 58 Ų | 58 | 126.8 Ų | 126.8 | 60% | 0.598 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -179.8 | 157.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | G89 K93 | G89-G91 PolarHBondContact O-N 3.16Å; G89-G91 VanDerWaalsContact O-N 3.16Å; G91-K93 PolarHBondContact O-N 3.25Å |
| 92 | R | 61.7 | Low | 63.8 | Low | 247 Ų | 247 | 128 Ų | 128 | 93% | 0.932 | 68% | 0.681 | S | S | * | * | trans | -59.4 | 108 | 171.7 | -62.5 | 177.1 | 90.7 | 177.6 | 6.2 | 107.1 | K94 | R92-K94 PolarHBondContact O-N 3.28Š| ||
| 93 | K | 63.3 | Low | 63.5 | Low | 193 Ų | 193 | 128.5 Ų | 128.5 | 84% | 0.839 | 68% | 0.68 | S | S | * | * | trans | -50.6 | 114.3 | 168 | -84.7 | -177.4 | 176.7 | 175.6 | 0 | 106.2 | G91 I95 | G91-K93 PolarHBondContact O-N 3.25Å; K93-I95 VanDerWaalsContact C-N 3.35Å; K93-I95 PolarHBondContact O-N 2.83Å | ||
| 94 | K | 66.1 | Low | 63.7 | Low | 199 Ų | 199 | 127.6 Ų | 127.6 | 87% | 0.865 | 67% | 0.665 | S | S | * | * | trans | -61.1 | 104 | 175.8 | -81 | -176.7 | 178.7 | 176.5 | 0 | 106.4 | R92 A96 | R92-K94 PolarHBondContact O-N 3.28Å; K94-A96 PolarHBondContact O-N 2.83Å | ||
| 95 | I | 67.2 | Low | 63.8 | Low | 91 Ų | 91 | 131.7 Ų | 131.7 | 47% | 0.467 | 66% | 0.663 | S | S | . | * | trans | -60.4 | 126.4 | 174.7 | -59.7 | 171.8 | 0 | 0 | 0 | 106.2 | K93 K99 R100 | K93-I95 VanDerWaalsContact C-N 3.35Å; K93-I95 PolarHBondContact O-N 2.83Å; I95-K99 HydrophobicContact CG2-CB 3.52Å; I95-K99 VanDerWaalsContact CG2-O 3.26Å; I95-K99 WeakPolarHBondContact CG2-O 3.49Å; I95-R100 HydrophobicContact CB-CG 4.23Å; I95-R100 HydrophobicContact CG2-CG 4.17Å; I95-R100 PolarHBondContact O-NE 3.35Å | ||
| 96 | A | 71.3 | Confident | 64.3 | Low | 51 Ų | 51 | 126.4 Ų | 126.4 | 42% | 0.421 | 65% | 0.648 | S | S | . | * | trans | -48 | 139.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109 | K94 D98 K99 R100 | K94-A96 PolarHBondContact O-N 2.83Å; A96-D98 PolarHBondContact O-N 3.06Å; A96-K99 PolarHBondContact O-N 2.96Å; A96-R100 PolarHBondContact O-N 2.85Å | ||
| 97 | P | 66.9 | Low | 64.5 | Low | 81 Ų | 81 | 128.5 Ų | 128.5 | 53% | 0.526 | 65% | 0.653 | S | S | . | * | G | 310 helix | trans | -49.7 | -39.1 | -172.5 | 19.1 | -31.2 | 0 | 0 | 0 | 112.5 | K99 R100 | P97-K99 PolarHBondContact O-N 3.13Å; P97-R100 PolarHBondContact O-N 3.36Å |
| 98 | D | 66.9 | Low | 64.8 | Low | 119 Ų | 119 | 128.1 Ų | 128.1 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -68.2 | -15.9 | -179.9 | -57.9 | -17.9 | 0 | 0 | 0 | 115.7 | A96 | A96-D98 PolarHBondContact O-N 3.06Š|
| 99 | K | 67.9 | Low | 64.8 | Low | 168 Ų | 168 | 128.5 Ų | 128.5 | 73% | 0.73 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -109.2 | 1.7 | -179.1 | -64.9 | -175.4 | -179.1 | -177.9 | 0 | 112.3 | I95 A96 P97 Q101 | I95-K99 HydrophobicContact CG2-CB 3.52Å; I95-K99 VanDerWaalsContact CG2-O 3.26Å; I95-K99 WeakPolarHBondContact CG2-O 3.49Å; A96-K99 PolarHBondContact O-N 2.96Å; P97-K99 PolarHBondContact O-N 3.13Å; K99-Q101 PolarHBondContact O-N 3.01Å |
| 100 | R | 70.6 | Confident | 64.9 | Low | 122 Ų | 122 | 133.6 Ų | 133.6 | 46% | 0.46 | 64% | 0.642 | S | S | . | * | trans | -70.1 | 129.2 | 178.6 | -67.8 | -179.2 | -177.2 | -177.4 | 3.5 | 109.2 | I95 A96 P97 H102 V103 | I95-R100 HydrophobicContact CB-CG 4.23Å; I95-R100 HydrophobicContact CG2-CG 4.17Å; I95-R100 PolarHBondContact O-NE 3.35Å; A96-R100 PolarHBondContact O-N 2.85Å; P97-R100 PolarHBondContact O-N 3.36Å; R100-H102 PolarHBondContact O-N 3.06Å; R100-V103 HydrophobicContact CB-CG2 4.45Å; R100-V103 PolarHBondContact O-N 2.99Å | ||
| 101 | Q | 63.9 | Low | 65.1 | Low | 182 Ų | 182 | 130.3 Ų | 130.3 | 85% | 0.85 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -17.6 | 178.8 | -69.6 | 177.2 | -10.2 | 0 | 0 | 113.7 | K99 V103 | K99-Q101 PolarHBondContact O-N 3.01Å; Q101-V103 VanDerWaalsContact C-N 3.29Å |
| 102 | H | 63.3 | Low | 64.7 | Low | 179 Ų | 179 | 133 Ų | 133 | 83% | 0.829 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -9.6 | 176.5 | -49.8 | -59.7 | 0 | 0 | 0 | 113.8 | R100 | R100-H102 PolarHBondContact O-N 3.06Š|
| 103 | V | 59.9 | Low | 64.7 | Low | 82 Ų | 82 | 128.6 Ų | 128.6 | 50% | 0.497 | 64% | 0.637 | S | S | . | * | trans | -100.5 | 95.1 | 174.9 | -176.4 | 0 | 0 | 0 | 0 | 107.6 | R100 Q101 | R100-V103 HydrophobicContact CB-CG2 4.45Å; R100-V103 PolarHBondContact O-N 2.99Å; Q101-V103 VanDerWaalsContact C-N 3.29Å | ||
| 104 | S | 64.7 | Low | 64.8 | Low | 40 Ų | 40 | 127 Ų | 127 | 28% | 0.28 | 63% | 0.627 | S | S | . | * | trans | -71.4 | 134 | 168.8 | 68.9 | 0 | 0 | 0 | 0 | 108.1 | W110 | S104-W110 PolarHBondContact O-NE1 3.37Å; S104-W110 PolarHBondContact OG-NE1 2.95Å | ||
| 105 | R | 66.1 | Low | 65 | Low | 203 Ų | 203 | 122.9 Ų | 122.9 | 77% | 0.766 | 62% | 0.618 | S | S | * | * | trans | -89.6 | 4.2 | 167.6 | -64.1 | -174.9 | -178.7 | -161.7 | -2.1 | 112 | F107 | R105-F107 PolarHBondContact O-N 3.24Š| ||
| 106 | N | 67.8 | Low | 65.2 | Low | 78 Ų | 78 | 123.2 Ų | 123.2 | 42% | 0.417 | 63% | 0.627 | S | S | . | * | trans | -85.4 | 106.8 | -174.8 | -172.4 | -12.5 | 0 | 0 | 0 | 108.6 | N108 L109 W110 | N106-N108 PolarHBondContact O-N 3.06Å; N106-N108 VanDerWaalsContact O-N 3.15Å; N106-N108 WeakPolarHBondContact OD1-CB 3.26Å; N106-N108 PolarHBondContact OD1-N 3.41Å; N106-N108 VanDerWaalsContact OD1-N 3.09Å; N106-L109 HydrophobicContact CB-CB 4.36Å; N106-L109 HydrophobicContact CB-CD1 4.02Å; N106-L109 HydrophobicContact CB-CG 4.12Å; N106-L109 WeakPolarHBondContact O-CB 3.49Å; N106-L109 PolarHBondContact O-N 2.81Å; N106-W110 PolarHBondContact O-N 3.44Å | ||
| 107 | F | 64.9 | Low | 65.4 | Low | 151 Ų | 151 | 123.4 Ų | 123.4 | 66% | 0.662 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -53 | -32.3 | 177.4 | 179.9 | -97.5 | 0 | 0 | 0 | 112.8 | R105 L109 W110 | R105-F107 PolarHBondContact O-N 3.24Å; F107-L109 PolarHBondContact O-N 2.96Å; F107-W110 WeakPolarHBondContact O-CB 3.48Å; F107-W110 PolarHBondContact O-N 3.11Å |
| 108 | N | 63.9 | Low | 65.7 | Low | 132 Ų | 132 | 125.1 Ų | 125.1 | 71% | 0.706 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -71.3 | -18.5 | 178.1 | -59 | -30.3 | 0 | 0 | 0 | 113.2 | N106 | N106-N108 PolarHBondContact O-N 3.06Å; N106-N108 VanDerWaalsContact O-N 3.15Å; N106-N108 WeakPolarHBondContact OD1-CB 3.26Å; N106-N108 PolarHBondContact OD1-N 3.41Å; N106-N108 VanDerWaalsContact OD1-N 3.09Å |
| 109 | L | 61.2 | Low | 66 | Low | 124 Ų | 124 | 123.9 Ų | 123.9 | 65% | 0.649 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -91.6 | -8.3 | 171.1 | -64.8 | 176.9 | 0 | 0 | 0 | 112.3 | N106 F107 | N106-L109 HydrophobicContact CB-CB 4.36Å; N106-L109 HydrophobicContact CB-CD1 4.02Å; N106-L109 HydrophobicContact CB-CG 4.12Å; N106-L109 WeakPolarHBondContact O-CB 3.49Å; N106-L109 PolarHBondContact O-N 2.81Å; F107-L109 PolarHBondContact O-N 2.96Å |
| 110 | W | 61.2 | Low | 66.5 | Low | 172 Ų | 172 | 119 Ų | 119 | 65% | 0.652 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -86.6 | -8.5 | 178.5 | -74.8 | 10.3 | 0 | 0 | 0 | 113.2 | S104 N106 F107 | S104-W110 PolarHBondContact O-NE1 3.37Å; S104-W110 PolarHBondContact OG-NE1 2.95Å; N106-W110 PolarHBondContact O-N 3.44Å; F107-W110 WeakPolarHBondContact O-CB 3.48Å; F107-W110 PolarHBondContact O-N 3.11Å |
| 111 | A | 63.2 | Low | 66.8 | Low | 65 Ų | 65 | 117 Ų | 117 | 54% | 0.537 | 63% | 0.63 | S | S | . | * | trans | -130.8 | 85.1 | -177 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 112 | C | 57.6 | Low | 67.6 | Low | 113 Ų | 113 | 113.5 Ų | 113.5 | 76% | 0.764 | 61% | 0.612 | S | S | * | * | -142.8 | 116.5 | 115.5 | -78.8 | 0 | 0 | 0 | 0 | 104.6 | Y114 | C112-Y114 PolarHBondContact O-N 3.47Å; C112-Y114 VanDerWaalsContact O-N 3.11Å | |||
| 113 | D | 60.7 | Low | 68.4 | Low | 155 Ų | 155 | 107.4 Ų | 107.4 | 83% | 0.829 | 59% | 0.59 | S | S | * | * | trans | -46.4 | 126.6 | 157.8 | -70.8 | -43.4 | 0 | 0 | 0 | 106.2 | V115 | D113-V115 WeakPolarHBondContact O-CG2 2.96Å; D113-V115 PolarHBondContact O-N 3.28Å | ||
| 114 | Y | 66.3 | Low | 69.4 | Low | 159 Ų | 159 | 109.9 Ų | 109.9 | 62% | 0.624 | 60% | 0.6 | S | S | * | * | trans | -46.5 | 109.1 | -178.4 | 163.5 | -101.8 | 0 | 0 | 0 | 108.7 | C112 P116 D120 | C112-Y114 PolarHBondContact O-N 3.47Å; C112-Y114 VanDerWaalsContact O-N 3.11Å; Y114-P116 HydrophobicContact CD1-CG 4.24Å; Y114-P116 HydrophobicContact CE1-CB 3.95Å; Y114-P116 HydrophobicContact CE1-CG 4.12Å; Y114-P116 WeakPolarHBondContact O-CD 3.48Å; Y114-D120 HydrophobicContact CE2-CB 4.42Å; Y114-D120 WeakPolarHBondContact CE2-OD2 3.48Å; Y114-D120 WeakPolarHBondContact OH-CB 3.46Å; Y114-D120 PolarHBondContact OH-OD2 2.95Å | ||
| 115 | V | 69.8 | Low | 70.2 | Confident | 113 Ų | 113 | 114.1 Ų | 114.1 | 69% | 0.685 | 62% | 0.62 | S | S | * | * | trans | -80.5 | 104.8 | -179.6 | 180 | 0 | 0 | 0 | 0 | 105.5 | D113 S117 | D113-V115 WeakPolarHBondContact O-CG2 2.96Å; D113-V115 PolarHBondContact O-N 3.28Å; V115-S117 PolarHBondContact O-N 2.96Å | ||
| 116 | P | 70.8 | Confident | 70.8 | Confident | 99 Ų | 99 | 109.7 Ų | 109.7 | 64% | 0.643 | 61% | 0.608 | S | S | * | * | trans | -65 | 114.5 | -173.9 | -13.1 | 28.5 | 0 | 0 | 0 | 108 | Y114 | Y114-P116 HydrophobicContact CD1-CG 4.24Å; Y114-P116 HydrophobicContact CE1-CB 3.95Å; Y114-P116 HydrophobicContact CE1-CG 4.12Å; Y114-P116 WeakPolarHBondContact O-CD 3.48Å | ||
| 117 | S | 75 | Confident | 71.4 | Confident | 54 Ų | 54 | 110.3 Ų | 110.3 | 38% | 0.378 | 61% | 0.61 | S | S | . | * | trans | -86.1 | 147.1 | 169.1 | 99.3 | 0 | 0 | 0 | 0 | 108.9 | V115 L119 D120 | V115-S117 PolarHBondContact O-N 2.96Å; S117-L119 PolarHBondContact O-N 3.05Å; S117-L119 PolarHBondContact OG-N 3.3Å; S117-D120 WeakPolarHBondContact CB-OD1 3.42Å; S117-D120 PolarHBondContact N-OD2 2.96Å; S117-D120 WeakPolarHBondContact O-CB 3.28Å; S117-D120 PolarHBondContact O-N 3.19Å; S117-D120 PolarHBondContact OG-N 3.21Å; S117-D120 PolarHBondContact OG-OD1 3.32Å | ||
| 118 | C | 73.6 | Confident | 72.2 | Confident | 118 Ų | 118 | 107 Ų | 107 | 80% | 0.797 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -9.7 | 174.3 | 59.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 119 | L | 74.3 | Confident | 73.1 | Confident | 93 Ų | 93 | 107.9 Ų | 107.9 | 49% | 0.487 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104 | -1.6 | 177.5 | -63.3 | 175.7 | 0 | 0 | 0 | 112.6 | S117 G121 F122 | S117-L119 PolarHBondContact O-N 3.05Å; S117-L119 PolarHBondContact OG-N 3.3Å; L119-G121 PolarHBondContact O-N 3.46Å; L119-F122 PolarHBondContact O-N 3.44Å |
| 120 | D | 77.1 | Confident | 74 | Confident | 65 Ų | 65 | 107.5 Ų | 107.5 | 35% | 0.348 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.8 | 129.2 | 179.2 | -70.7 | -13.5 | 0 | 0 | 0 | 110.7 | Y114 S117 | Y114-D120 HydrophobicContact CE2-CB 4.42Å; Y114-D120 WeakPolarHBondContact CE2-OD2 3.48Å; Y114-D120 WeakPolarHBondContact OH-CB 3.46Å; Y114-D120 PolarHBondContact OH-OD2 2.95Å; S117-D120 WeakPolarHBondContact CB-OD1 3.42Å; S117-D120 PolarHBondContact N-OD2 2.96Å; S117-D120 WeakPolarHBondContact O-CB 3.28Å; S117-D120 PolarHBondContact O-N 3.19Å; S117-D120 PolarHBondContact OG-N 3.21Å; S117-D120 PolarHBondContact OG-OD1 3.32Å |
| 121 | G | 78.4 | Confident | 74.7 | Confident | 81 Ų | 81 | 105.3 Ų | 105.3 | 84% | 0.835 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.4 | -7.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | L119 | L119-G121 PolarHBondContact O-N 3.46Š|
| 122 | F | 79.8 | Confident | 75.4 | Confident | 107 Ų | 107 | 110.6 Ų | 110.6 | 47% | 0.469 | 61% | 0.61 | S | S | . | * | trans | -82.8 | 131.9 | 167 | -67.6 | -82.4 | 0 | 0 | 0 | 110.6 | L119 Q126 I127 | L119-F122 PolarHBondContact O-N 3.44Å; F122-Q126 HydrophobicContact CB-CB 4.23Å; F122-Q126 HydrophobicContact CD1-CB 4.01Å; F122-I127 HydrophobicContact CB-CD1 4.07Å; F122-I127 HydrophobicContact CB-CG1 3.65Å | ||
| 123 | S | 80.4 | Confident | 76 | Confident | 52 Ų | 52 | 113.2 Ų | 113.2 | 36% | 0.364 | 61% | 0.611 | S | S | . | * | trans | -66 | 153 | 169.6 | 62.9 | 0 | 0 | 0 | 0 | 110.6 | N125 Q126 I127 | S123-N125 PolarHBondContact O-N 3.12Å; S123-Q126 WeakPolarHBondContact O-CA 3.26Å; S123-Q126 WeakPolarHBondContact O-CB 3.5Å; S123-Q126 PolarHBondContact O-N 3.05Å; S123-Q126 WeakPolarHBondContact OG-CG 3.43Å; S123-Q126 PolarHBondContact OG-N 3.31Å; S123-Q126 PolarHBondContact OG-OE1 3.02Å; S123-Q126 VanDerWaalsContact OG-OE1 3.05Å; S123-I127 PolarHBondContact O-N 3.44Å; S123-I127 VanDerWaalsContact O-N 3.1Å | ||
| 124 | N | 80.4 | Confident | 76.3 | Confident | 134 Ų | 134 | 109.4 Ų | 109.4 | 72% | 0.717 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -52 | -32.8 | 174.3 | -72.2 | -6.2 | 0 | 0 | 0 | 112.4 | I127 S128 | N124-I127 PolarHBondContact O-N 3.35Å; N124-S128 VanDerWaalsContact O-CB 3.22Å; N124-S128 WeakPolarHBondContact O-CB 3.46Å; N124-S128 PolarHBondContact O-N 3.04Å; N124-S128 PolarHBondContact O-OG 2.98Å |
| 125 | N | 81.6 | Confident | 76.4 | Confident | 129 Ų | 129 | 108.3 Ų | 108.3 | 69% | 0.69 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.3 | -37 | 175.9 | -64.4 | -27.7 | 0 | 0 | 0 | 112.8 | S123 S128 Y129 | S123-N125 PolarHBondContact O-N 3.12Å; N125-S128 WeakPolarHBondContact CA-OG 3.45Å; N125-S128 PolarHBondContact O-OG 3.43Å; N125-Y129 WeakPolarHBondContact O-CB 3.27Å; N125-Y129 PolarHBondContact O-N 3.33Å |
| 126 | Q | 79.4 | Confident | 76 | Confident | 109 Ų | 109 | 106.7 Ų | 106.7 | 51% | 0.509 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -72.8 | -39.8 | 176.6 | -73.9 | 165.4 | -48.3 | 0 | 0 | 111.8 | F122 S123 Y129 | F122-Q126 HydrophobicContact CB-CB 4.23Å; F122-Q126 HydrophobicContact CD1-CB 4.01Å; S123-Q126 WeakPolarHBondContact O-CA 3.26Å; S123-Q126 WeakPolarHBondContact O-CB 3.5Å; S123-Q126 PolarHBondContact O-N 3.05Å; S123-Q126 WeakPolarHBondContact OG-CG 3.43Å; S123-Q126 PolarHBondContact OG-N 3.31Å; S123-Q126 PolarHBondContact OG-OE1 3.02Å; S123-Q126 VanDerWaalsContact OG-OE1 3.05Å; Q126-Y129 PolarHBondContact O-N 3.04Å |
| 127 | I | 80.9 | Confident | 75.7 | Confident | 91 Ų | 91 | 105.5 Ų | 105.5 | 47% | 0.467 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.3 | -37.5 | 179.2 | -56.2 | 171.6 | 0 | 0 | 0 | 110.7 | F122 S123 N124 Y129 | F122-I127 HydrophobicContact CB-CD1 4.07Å; F122-I127 HydrophobicContact CB-CG1 3.65Å; S123-I127 PolarHBondContact O-N 3.44Å; S123-I127 VanDerWaalsContact O-N 3.1Å; N124-I127 PolarHBondContact O-N 3.35Å; I127-Y129 VanDerWaalsContact C-N 3.31Å |
| 128 | S | 81.3 | Confident | 75 | Confident | 81 Ų | 81 | 104.5 Ų | 104.5 | 57% | 0.566 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -81 | -7.5 | 177.9 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | N124 N125 V130 | N124-S128 VanDerWaalsContact O-CB 3.22Å; N124-S128 WeakPolarHBondContact O-CB 3.46Å; N124-S128 PolarHBondContact O-N 3.04Å; N124-S128 PolarHBondContact O-OG 2.98Å; N125-S128 WeakPolarHBondContact CA-OG 3.45Å; N125-S128 PolarHBondContact O-OG 3.43Å; S128-V130 PolarHBondContact O-N 3.3Å |
| 129 | Y | 82.5 | Confident | 74.3 | Confident | 151 Ų | 151 | 102.8 Ų | 102.8 | 59% | 0.592 | 57% | 0.574 | S | S | * | * | trans | -74 | 103.4 | -178.2 | -179.2 | -101.5 | 0 | 0 | 0 | 110.9 | N125 Q126 I127 H131 | N125-Y129 WeakPolarHBondContact O-CB 3.27Å; N125-Y129 PolarHBondContact O-N 3.33Å; Q126-Y129 PolarHBondContact O-N 3.04Å; I127-Y129 VanDerWaalsContact C-N 3.31Å; Y129-H131 HydrophobicContact CD1-CB 4.49Å; Y129-H131 HydrophobicContact CE1-CB 3.9Å; Y129-H131 AromaticContact CE1-ND1 3.93Å; Y129-H131 PolarHBondContact O-N 3.08Å | ||
| 130 | V | 79.4 | Confident | 73.7 | Confident | 116 Ų | 116 | 106.7 Ų | 106.7 | 70% | 0.703 | 59% | 0.588 | S | S | * | * | trans | -80.1 | 108.6 | 167.1 | -178.9 | 0 | 0 | 0 | 0 | 107.9 | S128 K132 | S128-V130 PolarHBondContact O-N 3.3Å; V130-K132 PolarHBondContact O-N 3.29Å | ||
| 131 | H | 76.7 | Confident | 72.9 | Confident | 127 Ų | 127 | 108.3 Ų | 108.3 | 59% | 0.588 | 59% | 0.589 | S | S | * | * | trans | -58 | 114.1 | 176.6 | -178 | 63.9 | 0 | 0 | 0 | 110 | Y129 | Y129-H131 HydrophobicContact CD1-CB 4.49Å; Y129-H131 HydrophobicContact CE1-CB 3.9Å; Y129-H131 AromaticContact CE1-ND1 3.93Å; Y129-H131 PolarHBondContact O-N 3.08Å | ||
| 132 | K | 76.8 | Confident | 72.3 | Confident | 175 Ų | 175 | 115.5 Ų | 115.5 | 76% | 0.761 | 59% | 0.591 | S | S | * | * | trans | -90.8 | 108.2 | 165.5 | -65.8 | -173.6 | -178.7 | -177.8 | 0 | 106.6 | V130 A134 | V130-K132 PolarHBondContact O-N 3.29Å; K132-A134 PolarHBondContact O-N 3.39Å | ||
| 133 | E | 70.4 | Confident | 71.4 | Confident | 168 Ų | 168 | 118.1 Ų | 118.1 | 79% | 0.785 | 60% | 0.602 | S | S | * | * | trans | -63.2 | 101.1 | 177.6 | -164 | 170.4 | -163.3 | 0 | 0 | 108.7 | V135 | E133-V135 PolarHBondContact O-N 3.47Š| ||
| 134 | A | 68.1 | Low | 70.5 | Confident | 75 Ų | 75 | 117.5 Ų | 117.5 | 62% | 0.62 | 60% | 0.597 | S | S | * | * | trans | -79.9 | 113.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | K132 V136 | K132-A134 PolarHBondContact O-N 3.39Å; A134-V136 HydrophobicContact CB-CG2 4.26Å; A134-V136 PolarHBondContact O-N 3.12Å | ||
| 135 | V | 67 | Low | 69.5 | Low | 136 Ų | 136 | 120.4 Ų | 120.4 | 82% | 0.824 | 60% | 0.598 | S | S | * | * | trans | -69 | 83.2 | 172.2 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | E133 V137 | E133-V135 PolarHBondContact O-N 3.47Å; V135-V137 PolarHBondContact O-N 3.14Å | ||
| 136 | V | 62.7 | Low | 68.4 | Low | 79 Ų | 79 | 116.3 Ų | 116.3 | 48% | 0.479 | 58% | 0.579 | S | S | . | * | trans | -83.2 | 102 | 172.8 | 179.6 | 0 | 0 | 0 | 0 | 107.2 | A134 S138 R141 | A134-V136 HydrophobicContact CB-CG2 4.26Å; A134-V136 PolarHBondContact O-N 3.12Å; V136-S138 PolarHBondContact O-N 3.29Å; V136-S138 VanDerWaalsContact O-N 3.1Å; V136-R141 HydrophobicContact CG1-CG 4.49Å | ||
| 137 | V | 63.7 | Low | 67.3 | Low | 75 Ų | 75 | 118 Ų | 118 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | trans | -54.7 | 119.8 | 175.2 | -168.1 | 0 | 0 | 0 | 0 | 108.6 | V135 S139 F140 | V135-V137 PolarHBondContact O-N 3.14Å; V137-S139 WeakPolarHBondContact CG1-OG 3Å; V137-S139 PolarHBondContact O-N 2.88Å; V137-F140 HydrophobicContact CB-CD2 3.74Å; V137-F140 HydrophobicContact CB-CE2 3.91Å; V137-F140 HydrophobicContact CG1-CD2 4.35Å; V137-F140 HydrophobicContact CG1-CE2 4.25Å; V137-F140 HydrophobicContact CG2-CD2 4.32Å; V137-F140 HydrophobicContact CG2-CE2 4.16Å; V137-F140 PolarHBondContact O-N 2.62Å | ||
| 138 | S | 60.5 | Low | 66.4 | Low | 32 Ų | 32 | 122.3 Ų | 122.3 | 22% | 0.224 | 60% | 0.597 | C | S | . | * | G | 310 helix | trans | -60.4 | -19.3 | -172.7 | -177.6 | 0 | 0 | 0 | 0 | 113.3 | V136 | V136-S138 PolarHBondContact O-N 3.29Å; V136-S138 VanDerWaalsContact O-N 3.1Å |
| 139 | S | 59.4 | Low | 65.3 | Low | 83 Ų | 83 | 124.3 Ų | 124.3 | 58% | 0.58 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -72.5 | -22.8 | 179.8 | 55.3 | 0 | 0 | 0 | 0 | 114.5 | V137 R141 | V137-S139 WeakPolarHBondContact CG1-OG 3Å; V137-S139 PolarHBondContact O-N 2.88Å; S139-R141 VanDerWaalsContact C-N 3.35Å |
| 140 | F | 60.6 | Low | 64.1 | Low | 175 Ų | 175 | 120.3 Ų | 120.3 | 77% | 0.768 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -89.6 | 2 | -178.9 | -62.2 | -62.1 | 0 | 0 | 0 | 114 | V137 | V137-F140 HydrophobicContact CB-CD2 3.74Å; V137-F140 HydrophobicContact CB-CE2 3.91Å; V137-F140 HydrophobicContact CG1-CD2 4.35Å; V137-F140 HydrophobicContact CG1-CE2 4.25Å; V137-F140 HydrophobicContact CG2-CD2 4.32Å; V137-F140 HydrophobicContact CG2-CE2 4.16Å; V137-F140 PolarHBondContact O-N 2.62Å |
| 141 | R | 61.3 | Low | 62.8 | Low | 98 Ų | 98 | 123.2 Ų | 123.2 | 37% | 0.37 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -82.2 | 134.8 | 176.4 | -62.6 | -175.1 | -179.5 | -139.4 | 0.4 | 109.6 | V136 S139 F143 | V136-R141 HydrophobicContact CG1-CG 4.49Å; S139-R141 VanDerWaalsContact C-N 3.35Å; R141-F143 VanDerWaalsContact CB-O 3.27Å; R141-F143 WeakPolarHBondContact CB-O 3.48Å; R141-F143 PolarHBondContact O-N 2.94Å |
| 142 | R | 65.8 | Low | 61.8 | Low | 233 Ų | 233 | 122.1 Ų | 122.1 | 88% | 0.879 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -50.6 | -32 | 171.1 | -80.5 | -175.6 | 175.5 | -171.7 | -1.2 | 112.6 | ||
| 143 | F | 60.9 | Low | 60.7 | Low | 161 Ų | 161 | 118.7 Ų | 118.7 | 71% | 0.706 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -124.7 | 113.2 | 169 | -58.2 | -71.7 | 0 | 0 | 0 | 108.8 | R141 R145 | R141-F143 VanDerWaalsContact CB-O 3.27Å; R141-F143 WeakPolarHBondContact CB-O 3.48Å; R141-F143 PolarHBondContact O-N 2.94Å; F143-R145 PolarHBondContact O-N 3.17Å |
| 144 | P | 61.4 | Low | 60 | Low | 39 Ų | 39 | 116.3 Ų | 116.3 | 25% | 0.253 | 57% | 0.568 | S | S | . | * | trans | -59.7 | 129.2 | 175.9 | -20.4 | 30.8 | 0 | 0 | 0 | 110.1 | C146 Y147 I150 | P144-C146 VanDerWaalsContact C-N 3.32Å; P144-Y147 WeakPolarHBondContact O-CE2 3.41Å; P144-I150 HydrophobicContact CB-CD1 3.48Å; P144-I150 VanDerWaalsContact CB-CD1 3.48Å; P144-I150 HydrophobicContact CG-CD1 4.01Å | ||
| 145 | R | 59.5 | Low | 58.9 | Low | 195 Ų | 195 | 117.1 Ų | 117.1 | 74% | 0.736 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -77.6 | -24.5 | -178.3 | -143.7 | -177.8 | -168.6 | -179.4 | 0.5 | 111.7 | F143 | F143-R145 PolarHBondContact O-N 3.17Š|
| 146 | C | 58.8 | Low | 57.8 | Low | 43 Ų | 43 | 118.6 Ų | 118.6 | 29% | 0.291 | 56% | 0.561 | S | S | . | * | trans | -108.3 | 81.7 | -177.9 | -57.5 | 0 | 0 | 0 | 0 | 111 | P144 K148 E149 | P144-C146 VanDerWaalsContact C-N 3.32Å; C146-K148 VanDerWaalsContact C-N 3.26Å; C146-K148 PolarHBondContact O-N 3.22Å; C146-E149 HydrophobicContact CB-CB 4.16Å; C146-E149 HydrophobicContact CB-CG 4.3Å; C146-E149 WeakPolarHBondContact CB-OE2 3.28Å; C146-E149 PolarHBondContact SG-OE2 3.43Å | ||
| 147 | Y | 56.4 | Low | 56.8 | Low | 145 Ų | 145 | 122.2 Ų | 122.2 | 57% | 0.569 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.9 | -32.1 | 173.8 | -72.5 | -81.9 | 0 | 0 | 0 | 112.2 | P144 W151 | P144-Y147 WeakPolarHBondContact O-CE2 3.41Å; Y147-W151 VanDerWaalsContact O-CD1 3.25Å |
| 148 | K | 60.5 | Low | 55.7 | Low | 181 Ų | 181 | 123 Ų | 123 | 79% | 0.787 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -72.8 | -35.2 | -176.3 | -72.9 | -176.6 | 176.3 | -178 | 0 | 114.2 | C146 | C146-K148 VanDerWaalsContact C-N 3.26Å; C146-K148 PolarHBondContact O-N 3.22Å |
| 149 | E | 59.5 | Low | 55 | Low | 124 Ų | 124 | 130.6 Ų | 130.6 | 58% | 0.579 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.6 | -37.9 | -176.2 | -72.3 | 168.2 | 171 | 0 | 0 | 112.3 | C146 W151 N152 T153 | C146-E149 HydrophobicContact CB-CB 4.16Å; C146-E149 HydrophobicContact CB-CG 4.3Å; C146-E149 WeakPolarHBondContact CB-OE2 3.28Å; C146-E149 PolarHBondContact SG-OE2 3.43Å; E149-W151 PolarHBondContact O-N 3.48Å; E149-N152 PolarHBondContact O-N 3.47Å; E149-T153 PolarHBondContact O-N 3.24Å; E149-T153 PolarHBondContact O-OG1 3.38Å |
| 150 | I | 56.8 | Low | 54.5 | Low | 66 Ų | 66 | 137.1 Ų | 137.1 | 34% | 0.338 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.1 | -38.8 | -178.7 | -63.1 | 170 | 0 | 0 | 0 | 111.4 | P144 N152 T153 L154 | P144-I150 HydrophobicContact CB-CD1 3.48Å; P144-I150 VanDerWaalsContact CB-CD1 3.48Å; P144-I150 HydrophobicContact CG-CD1 4.01Å; I150-N152 VanDerWaalsContact C-N 3.33Å; I150-N152 PolarHBondContact O-N 3.35Å; I150-T153 WeakPolarHBondContact CA-OG1 3.02Å; I150-T153 PolarHBondContact O-N 2.98Å; I150-T153 PolarHBondContact O-OG1 3.39Å; I150-L154 HydrophobicContact CG2-CD1 4.15Å; I150-L154 WeakPolarHBondContact O-CG 3.49Å; I150-L154 PolarHBondContact O-N 3.4Å |
| 151 | W | 53 | Low | 53.7 | Low | 178 Ų | 178 | 139.5 Ų | 139.5 | 67% | 0.674 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.5 | -36.4 | 176.4 | -83.7 | 104.6 | 0 | 0 | 0 | 112.3 | Y147 E149 L154 T155 | Y147-W151 VanDerWaalsContact O-CD1 3.25Å; E149-W151 PolarHBondContact O-N 3.48Å; W151-L154 PolarHBondContact O-N 3.21Å; W151-T155 WeakPolarHBondContact O-CG2 3.37Å; W151-T155 PolarHBondContact O-N 3.17Å; W151-T155 VanDerWaalsContact O-N 3.15Å; W151-T155 PolarHBondContact O-OG1 3.31Å |
| 152 | N | 54.8 | Low | 52.8 | Low | 103 Ų | 103 | 145.4 Ų | 145.4 | 55% | 0.551 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69.2 | -35.8 | 177.2 | -70.6 | -16.6 | 0 | 0 | 0 | 112.5 | E149 I150 L154 T155 F156 | E149-N152 PolarHBondContact O-N 3.47Å; I150-N152 VanDerWaalsContact C-N 3.33Å; I150-N152 PolarHBondContact O-N 3.35Å; N152-L154 VanDerWaalsContact C-N 3.28Å; N152-L154 PolarHBondContact O-N 2.87Å; N152-T155 WeakPolarHBondContact CA-OG1 3.34Å; N152-T155 PolarHBondContact O-N 3.24Å; N152-T155 PolarHBondContact O-OG1 2.79Å; N152-F156 VanDerWaalsContact O-CD2 3.3Å; N152-F156 WeakPolarHBondContact O-CD2 3.45Å |
| 153 | T | 54.5 | Low | 51.7 | Low | 104 Ų | 104 | 140.3 Ų | 140.3 | 64% | 0.638 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.6 | -27.3 | 174.6 | 46 | 0 | 0 | 0 | 0 | 113.2 | E149 I150 | E149-T153 PolarHBondContact O-N 3.24Å; E149-T153 PolarHBondContact O-OG1 3.38Å; I150-T153 WeakPolarHBondContact CA-OG1 3.02Å; I150-T153 PolarHBondContact O-N 2.98Å; I150-T153 PolarHBondContact O-OG1 3.39Å |
| 154 | L | 54 | Low | 50.9 | Low | 118 Ų | 118 | 141.3 Ų | 141.3 | 62% | 0.618 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -84.3 | -18.8 | 178 | -71.9 | 168.5 | 0 | 0 | 0 | 113.2 | I150 W151 N152 F156 | I150-L154 HydrophobicContact CG2-CD1 4.15Å; I150-L154 WeakPolarHBondContact O-CG 3.49Å; I150-L154 PolarHBondContact O-N 3.4Å; W151-L154 PolarHBondContact O-N 3.21Å; N152-L154 VanDerWaalsContact C-N 3.28Å; N152-L154 PolarHBondContact O-N 2.87Å; L154-F156 VanDerWaalsContact C-N 3.26Å; L154-F156 PolarHBondContact O-N 3.46Å |
| 155 | T | 46.7 | Very low | 50.1 | Low | 91 Ų | 91 | 148.8 Ų | 148.8 | 56% | 0.558 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -1.5 | 176.1 | 42.9 | 0 | 0 | 0 | 0 | 114.6 | W151 N152 | W151-T155 WeakPolarHBondContact O-CG2 3.37Å; W151-T155 PolarHBondContact O-N 3.17Å; W151-T155 VanDerWaalsContact O-N 3.15Å; W151-T155 PolarHBondContact O-OG1 3.31Å; N152-T155 WeakPolarHBondContact CA-OG1 3.34Å; N152-T155 PolarHBondContact O-N 3.24Å; N152-T155 PolarHBondContact O-OG1 2.79Å |
| 156 | F | 43.7 | Very low | 49.5 | Very low | 168 Ų | 168 | 147.2 Ų | 147.2 | 74% | 0.737 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 34.1 | -179.8 | -73 | -74.6 | 0 | 0 | 0 | 114.7 | N152 L154 P158 | N152-F156 VanDerWaalsContact O-CD2 3.3Å; N152-F156 WeakPolarHBondContact O-CD2 3.45Å; L154-F156 VanDerWaalsContact C-N 3.26Å; L154-F156 PolarHBondContact O-N 3.46Å; F156-P158 VanDerWaalsContact C-CD 3.47Å; F156-P158 WeakPolarHBondContact O-CD 3.32Å |
| 157 | L | 41.8 | Very low | 49.2 | Very low | 154 Ų | 154 | 154.4 Ų | 154.4 | 81% | 0.806 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -89.1 | 93.2 | 146 | -71.9 | 175 | 0 | 0 | 0 | 106.5 | E159 | L157-E159 PolarHBondContact O-N 3.46Š|
| 158 | P | 40.6 | Very low | 48.6 | Very low | 91 Ų | 91 | 157.1 Ų | 157.1 | 59% | 0.591 | 73% | 0.732 | S | S | * | * | trans | -58.6 | 130.6 | 174.5 | 25.2 | -31.4 | 0 | 0 | 0 | 107.4 | F156 R160 | F156-P158 VanDerWaalsContact C-CD 3.47Å; F156-P158 WeakPolarHBondContact O-CD 3.32Å; P158-R160 HydrophobicContact CB-CG 4.45Å; P158-R160 PolarHBondContact O-N 3.42Å | ||
| 159 | E | 44.9 | Very low | 48.1 | Very low | 193 Ų | 193 | 158.8 Ų | 158.8 | 90% | 0.902 | 74% | 0.74 | S | S | * | * | trans | -53.1 | 76.7 | 163.4 | -168.6 | 176.7 | -166.4 | 0 | 0 | 109.3 | L157 | L157-E159 PolarHBondContact O-N 3.46Š| ||
| 160 | R | 49.4 | Very low | 47.2 | Very low | 219 Ų | 219 | 158.2 Ų | 158.2 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | trans | -128.4 | 93.9 | 176.3 | -86.5 | -171.9 | 172.7 | -176.6 | -1.2 | 107.6 | P158 | P158-R160 HydrophobicContact CB-CG 4.45Å; P158-R160 PolarHBondContact O-N 3.42Å | ||
| 161 | R | 44.3 | Very low | 46.8 | Very low | 226 Ų | 226 | 165.2 Ų | 165.2 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 134.4 | 56.5 | 148.2 | -71.5 | 179.7 | 176.2 | -168.2 | 0.7 | 114.7 | ||
| 162 | Y | 40.8 | Very low | 46.2 | Very low | 222 Ų | 222 | 162 Ų | 162 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -132.6 | -5.8 | 157.7 | -92.3 | -78.9 | 0 | 0 | 0 | 115.9 | ||
| 163 | T | 44.4 | Very low | 45.5 | Very low | 126 Ų | 126 | 168.7 Ų | 168.7 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -100.8 | -3.4 | -175.7 | 47.8 | 0 | 0 | 0 | 0 | 115.9 | ||
| 164 | E | 43.8 | Very low | 44.6 | Very low | 182 Ų | 182 | 173.1 Ų | 173.1 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -95.6 | -8.3 | -178.5 | -71 | -170.2 | 167.3 | 0 | 0 | 115.6 | ||
| 165 | F | 44.9 | Very low | 44 | Very low | 196 Ų | 196 | 173.8 Ų | 173.8 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -95.2 | -1.9 | -177.4 | -81.4 | -78.5 | 0 | 0 | 0 | 115.9 | ||
| 166 | L | 45.8 | Very low | 43.4 | Very low | 161 Ų | 161 | 176.4 Ų | 176.4 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -104.5 | 23.7 | -178.2 | -73.6 | 174.6 | 0 | 0 | 0 | 115 | ||
| 167 | K | 52.3 | Low | 43.1 | Very low | 194 Ų | 194 | 176.1 Ų | 176.1 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -128.1 | 74 | 169.1 | -74.5 | -173 | 179.7 | 177.8 | 0 | 111.5 | ||
| 168 | K | 44 | Very low | 43.4 | Very low | 203 Ų | 203 | 177.7 Ų | 177.7 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | trans | -167.6 | 112.5 | 150.4 | -102.4 | 159.3 | -166.9 | -169.9 | 0 | 108.4 | P170 | K168-P170 WeakPolarHBondContact O-CD 3.41Š| ||
| 169 | K | 50.3 | Low | 43.4 | Very low | 215 Ų | 215 | 182.9 Ų | 182.9 | 94% | 0.935 | 84% | 0.841 | S | S | * | * | trans | -77.8 | 127.6 | 166.9 | -69.1 | -170.6 | 176.9 | -175.6 | 0 | 108.6 | ||||
| 170 | P | 41.3 | Very low | 43.2 | Very low | 112 Ų | 112 | 179.5 Ų | 179.5 | 73% | 0.727 | 83% | 0.833 | S | S | * | * | trans | -102 | 123.7 | 153.2 | 25.1 | -10.1 | 0 | 0 | 0 | 109.6 | K168 V172 | K168-P170 WeakPolarHBondContact O-CD 3.41Å; P170-V172 PolarHBondContact O-N 3.06Å | ||
| 171 | K | 47.6 | Very low | 42.7 | Very low | 214 Ų | 214 | 177.6 Ų | 177.6 | 93% | 0.93 | 84% | 0.838 | S | S | * | * | trans | -65.5 | 101.6 | 161.1 | -81.1 | 172.1 | 171.4 | 174.9 | 0 | 107.8 | ||||
| 172 | V | 39.9 | Very low | 42.7 | Very low | 110 Ų | 110 | 171.2 Ų | 171.2 | 67% | 0.667 | 83% | 0.829 | S | S | * | * | trans | -142.9 | 126.7 | 162.5 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | P170 | P170-V172 PolarHBondContact O-N 3.06Š| ||
| 173 | R | 40.4 | Very low | 42.6 | Very low | 243 Ų | 243 | 166.2 Ų | 166.2 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 130.8 | 176.7 | -71.2 | 176.9 | 172.1 | 175.2 | -3.2 | 108.9 | ||
| 174 | F | 36.5 | Very low | 42.3 | Very low | 197 Ų | 197 | 168.4 Ų | 168.4 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 117.2 | 169.8 | -68.2 | -80.8 | 0 | 0 | 0 | 109.5 | ||
| 175 | T | 39.7 | Very low | 41.8 | Very low | 132 Ų | 132 | 169.2 Ų | 169.2 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 128 | 161.8 | 41.3 | 0 | 0 | 0 | 0 | 108.5 | ||
| 176 | I | 36.1 | Very low | 41.4 | Very low | 147 Ų | 147 | 169.1 Ų | 169.1 | 75% | 0.754 | 86% | 0.859 | S | S | * | * | trans | -90.6 | 112.3 | 177.9 | -62.4 | 167.1 | 0 | 0 | 0 | 107.7 | ||||
| 177 | D | 36 | Very low | 41.2 | Very low | 162 Ų | 162 | 169.5 Ų | 169.5 | 87% | 0.866 | 86% | 0.86 | S | S | * | * | trans | -88 | 118.6 | 167.7 | -96.4 | -25.2 | 0 | 0 | 0 | 110.4 | ||||
| 178 | K | 49.4 | Very low | 40.6 | Very low | 187 Ų | 187 | 168.2 Ų | 168.2 | 81% | 0.813 | 86% | 0.861 | S | S | * | * | trans | -94.1 | 106.4 | 170.4 | -73.8 | -180 | 177.6 | 177.4 | 0 | 109 | ||||
| 179 | K | 40.5 | Very low | 40.4 | Very low | 199 Ų | 199 | 166.3 Ų | 166.3 | 87% | 0.865 | 86% | 0.86 | S | S | * | * | trans | 175.1 | 119.3 | 157.4 | -97.2 | 162.3 | -172.6 | -170.3 | 0 | 103.4 | ||||
| 180 | V | 39.7 | Very low | 39.8 | Very low | 123 Ų | 123 | 163.4 Ų | 163.4 | 75% | 0.745 | 86% | 0.855 | S | S | * | * | -157.9 | 116.6 | 66.4 | 169.3 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 181 | L | 39 | Very low | 39.7 | Very low | 178 Ų | 178 | 166.6 Ų | 166.6 | 93% | 0.932 | 86% | 0.863 | S | S | * | * | trans | -99.2 | 96.2 | 162.7 | -171.5 | 96.9 | 0 | 0 | 0 | 105.2 | ||||
| 182 | S | 43.7 | Very low | 39.2 | Very low | 93 Ų | 93 | 163.5 Ų | 163.5 | 65% | 0.65 | 86% | 0.859 | S | S | * | * | trans | 171.7 | 98.4 | 162.5 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 183 | S | 39.5 | Very low | 39.1 | Very low | 116 Ų | 116 | 167.3 Ų | 167.3 | 81% | 0.811 | 87% | 0.873 | S | S | * | * | trans | 170.7 | 74.4 | 140.5 | 54.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 184 | L | 38.2 | Very low | 39 | Very low | 173 Ų | 173 | 161.5 Ų | 161.5 | 91% | 0.906 | 87% | 0.869 | S | S | * | * | trans | -158.2 | 55.1 | 153.2 | -149.1 | 97.1 | 0 | 0 | 0 | 111.5 | ||||
| 185 | E | 33.3 | Very low | 39.3 | Very low | 198 Ų | 198 | 158.5 Ų | 158.5 | 93% | 0.925 | 87% | 0.87 | S | S | * | * | trans | -143.9 | 100.2 | 155 | -77.7 | -168.4 | 163.4 | 0 | 0 | 107.9 | ||||
| 186 | S | 36.1 | Very low | 39.2 | Very low | 194 Ų | 194 | 160.9 Ų | 160.9 | 100% | 1.357 | 88% | 0.875 | S | S | * | * | trans | -165.5 | 0 | 154.5 | 172.1 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 186 of 186 residues in 47.2 ms
(Link to these results)