| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.4 | Very low | 40.2 | Very low | 227 Ų | 227 | 155 Ų | 155 | 100% | 1.118 | 82% | 0.821 | S | S | * | * | 0 | 122.9 | 0 | -77.7 | -65.9 | 177.8 | 0 | 0 | 108.4 | |||||
| 2 | H | 38.4 | Very low | 40.4 | Very low | 178 Ų | 178 | 153.6 Ų | 153.6 | 82% | 0.824 | 83% | 0.828 | S | S | * | * | trans | 65.3 | 111.8 | 159.3 | -80.2 | 77.7 | 0 | 0 | 0 | 121.1 | ||||
| 3 | C | 37.6 | Very low | 41 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -60.5 | 147.1 | 152.2 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 4 | H | 35 | Very low | 41.7 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 75% | 0.745 | 81% | 0.809 | S | S | * | * | trans | -133 | 103.8 | 151 | -121 | -96.9 | 0 | 0 | 0 | 108.4 | E6 | H4-E6 IonicContact ND1-OE1 3.64Š| ||
| 5 | A | 40.7 | Very low | 42.5 | Very low | 92 Ų | 92 | 149.2 Ų | 149.2 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | -90.4 | 107 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107 | L7 | A5-L7 PolarHBondContact O-N 3.39Š| ||
| 6 | E | 41.2 | Very low | 42.6 | Very low | 158 Ų | 158 | 152.9 Ų | 152.9 | 74% | 0.738 | 82% | 0.817 | S | S | * | * | trans | -80.1 | 104.9 | 171.9 | -81.8 | -76.7 | 127.2 | 0 | 0 | 109.2 | H4 R8 | H4-E6 IonicContact ND1-OE1 3.64Å; E6-R8 PolarHBondContact O-N 3.37Å | ||
| 7 | L | 40.3 | Very low | 42.5 | Very low | 154 Ų | 154 | 148.9 Ų | 148.9 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | trans | -66.3 | 94.5 | 167.7 | -85.4 | 157.4 | 0 | 0 | 0 | 109.6 | A5 L9 | A5-L7 PolarHBondContact O-N 3.39Å; L7-L9 PolarHBondContact O-N 3.31Å | ||
| 8 | R | 44.9 | Very low | 42.9 | Very low | 242 Ų | 242 | 146.6 Ų | 146.6 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | trans | -69.2 | 98.5 | 160.3 | -86.5 | -161.8 | 169.5 | 108.9 | -0.2 | 109.2 | E6 S10 | E6-R8 PolarHBondContact O-N 3.37Å; R8-S10 PolarHBondContact O-N 3.04Å | ||
| 9 | L | 40.6 | Very low | 43.1 | Very low | 165 Ų | 165 | 151.5 Ų | 151.5 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | trans | -62.1 | 97.4 | 165.6 | -70.5 | 164.7 | 0 | 0 | 0 | 108.7 | L7 | L7-L9 PolarHBondContact O-N 3.31Š| ||
| 10 | S | 43.2 | Very low | 43.7 | Very low | 112 Ų | 112 | 156.2 Ų | 156.2 | 78% | 0.783 | 83% | 0.825 | S | S | * | * | trans | -70.4 | 133.6 | 166.2 | -165.6 | 0 | 0 | 0 | 0 | 109.2 | R8 | R8-S10 PolarHBondContact O-N 3.04Š| ||
| 11 | S | 42.5 | Very low | 44.4 | Very low | 99 Ų | 99 | 159 Ų | 159 | 69% | 0.692 | 82% | 0.824 | S | S | * | * | trans | -34.7 | 126.2 | 178.8 | -175 | 0 | 0 | 0 | 0 | 114.2 | G13 | S11-G13 PolarHBondContact O-N 3.44Š| ||
| 12 | P | 42.6 | Very low | 45.2 | Very low | 138 Ų | 138 | 159 Ų | 159 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | trans | -81.4 | 68 | 172.2 | 33.5 | -31.2 | 0 | 0 | 0 | 109.8 | ||||
| 13 | G | 47.8 | Very low | 45.8 | Very low | 53 Ų | 53 | 159.7 Ų | 159.7 | 55% | 0.546 | 81% | 0.814 | S | S | . | * | trans | -95.1 | 116.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | S11 | S11-G13 PolarHBondContact O-N 3.44Š| ||
| 14 | Q | 51.4 | Low | 46.5 | Very low | 182 Ų | 182 | 159.7 Ų | 159.7 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 111.9 | 132.3 | 157.8 | -51.3 | -138.7 | 71.4 | 0 | 0 | 117.5 | ||
| 15 | L | 53.4 | Low | 47.7 | Very low | 160 Ų | 160 | 159.3 Ų | 159.3 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | 75.8 | 72.5 | 164.8 | -63.2 | 125.3 | 0 | 0 | 0 | 116.9 | ||||
| 16 | K | 43.8 | Very low | 49.1 | Very low | 208 Ų | 208 | 160.6 Ų | 160.6 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | trans | -129.4 | 106.2 | 136.8 | -100.2 | 174.1 | -175.1 | 167.9 | 0 | 111.7 | ||||
| 17 | A | 41.3 | Very low | 50.1 | Low | 85 Ų | 85 | 159.1 Ų | 159.1 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | trans | 67.1 | 106.5 | 135.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | R19 | A17-R19 VanDerWaalsContact C-N 3.33Å; A17-R19 PolarHBondContact O-N 3.05Å | ||
| 18 | A | 50.2 | Low | 51.2 | Low | 108 Ų | 108 | 157.6 Ų | 157.6 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | -11.4 | 87 | 128.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 19 | R | 45.3 | Very low | 52.2 | Low | 240 Ų | 240 | 150.8 Ų | 150.8 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | trans | -147.4 | 50.2 | 158.4 | -131.5 | 178.2 | -170.8 | -130.9 | 4.8 | 110.2 | A17 R21 | A17-R19 VanDerWaalsContact C-N 3.33Å; A17-R19 PolarHBondContact O-N 3.05Å; R19-R21 VanDerWaalsContact C-N 3.29Å; R19-R21 PolarHBondContact O-N 3.29Å | ||
| 20 | R | 56.2 | Low | 53.4 | Low | 245 Ų | 245 | 147.9 Ų | 147.9 | 93% | 0.925 | 75% | 0.75 | S | S | * | * | trans | -67.8 | 94.9 | 158.5 | -69.6 | -159.6 | -172.5 | -156 | 4 | 107.3 | ||||
| 21 | R | 58.6 | Low | 54.1 | Low | 215 Ų | 215 | 148.5 Ų | 148.5 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -168 | 102 | 149.3 | -106 | -178.7 | -80.8 | -172.9 | 1.9 | 108.2 | R19 | R19-R21 VanDerWaalsContact C-N 3.29Å; R19-R21 PolarHBondContact O-N 3.29Å |
| 22 | Y | 54.4 | Low | 55.5 | Low | 226 Ų | 226 | 145.2 Ų | 145.2 | 89% | 0.886 | 72% | 0.721 | S | S | * | * | trans | 74.6 | 82.8 | 170.5 | -52.9 | -78.4 | 0 | 0 | 0 | 116 | ||||
| 23 | K | 51.5 | Low | 56.3 | Low | 193 Ų | 193 | 145.7 Ų | 145.7 | 84% | 0.839 | 71% | 0.709 | S | S | * | * | trans | -120.8 | 122 | 149.5 | -162.8 | 142.1 | 177.6 | 161.1 | 0 | 106.5 | F25 | K23-F25 PolarHBondContact O-N 2.92Å; K23-F25 VanDerWaalsContact O-N 3.15Å | ||
| 24 | T | 52.5 | Low | 57.2 | Low | 117 Ų | 117 | 150.8 Ų | 150.8 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | trans | -37.5 | 110.8 | 174.6 | 25.8 | 0 | 0 | 0 | 0 | 111.6 | M26 | T24-M26 VanDerWaalsContact C-N 3.32Å; T24-M26 PolarHBondContact O-N 2.96Å | ||
| 25 | F | 59.1 | Low | 57.7 | Low | 153 Ų | 153 | 144.9 Ų | 144.9 | 67% | 0.671 | 70% | 0.695 | S | S | * | * | trans | -64.1 | 103.5 | 154.4 | -78.4 | -82 | 0 | 0 | 0 | 105.5 | K23 I27 I30 | K23-F25 PolarHBondContact O-N 2.92Å; K23-F25 VanDerWaalsContact O-N 3.15Å; F25-I27 PolarHBondContact O-N 3.23Å; F25-I30 HydrophobicContact CB-CD1 4.05Å; F25-I30 HydrophobicContact CB-CG1 4.32Å; F25-I30 HydrophobicContact CD1-CG1 4.33Å | ||
| 26 | M | 70.3 | Confident | 58 | Low | 120 Ų | 120 | 140.8 Ų | 140.8 | 59% | 0.591 | 68% | 0.679 | S | S | * | * | trans | -61.3 | 137.9 | 167 | -65.7 | -171.5 | -68.2 | 0 | 0 | 106.2 | T24 D28 E29 | T24-M26 VanDerWaalsContact C-N 3.32Å; T24-M26 PolarHBondContact O-N 2.96Å; M26-D28 PolarHBondContact O-N 3.35Å; M26-E29 WeakPolarHBondContact O-CB 3.37Å; M26-E29 PolarHBondContact O-N 3.33Å | ||
| 27 | I | 62.2 | Low | 58.9 | Low | 126 Ų | 126 | 134.4 Ų | 134.4 | 65% | 0.646 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -55.4 | -29.7 | 179.6 | -64.1 | 171.4 | 0 | 0 | 0 | 109.7 | F25 E29 I30 L31 | F25-I27 PolarHBondContact O-N 3.23Å; I27-E29 VanDerWaalsContact C-N 3.29Å; I27-E29 PolarHBondContact O-N 2.97Å; I27-I30 PolarHBondContact O-N 3.36Å; I27-L31 HydrophobicContact CG2-CD1 3.83Å; I27-L31 HydrophobicContact CG2-CG 4.32Å; I27-L31 WeakPolarHBondContact O-CG 3.44Å; I27-L31 PolarHBondContact O-N 3.01Å |
| 28 | D | 63.3 | Low | 59.9 | Low | 123 Ų | 123 | 138 Ų | 138 | 66% | 0.658 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.1 | -25.6 | 175.1 | -52.4 | -50.1 | 0 | 0 | 0 | 114 | M26 S32 | M26-D28 PolarHBondContact O-N 3.35Å; D28-S32 PolarHBondContact O-N 3.38Å |
| 29 | E | 66.3 | Low | 60.4 | Low | 98 Ų | 98 | 140.4 Ų | 140.4 | 46% | 0.458 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -77 | -34.5 | 176.1 | -166.3 | 179.1 | 174.4 | 0 | 0 | 111.5 | M26 I27 S32 T35 | M26-E29 WeakPolarHBondContact O-CB 3.37Å; M26-E29 PolarHBondContact O-N 3.33Å; I27-E29 VanDerWaalsContact C-N 3.29Å; I27-E29 PolarHBondContact O-N 2.97Å; E29-S32 WeakPolarHBondContact O-CB 3.44Å; E29-S32 PolarHBondContact O-N 3.36Å; E29-S32 PolarHBondContact O-OG 3.45Å; E29-T35 PolarHBondContact O-OG1 2.9Å |
| 30 | I | 66.2 | Low | 61.4 | Low | 105 Ų | 105 | 135 Ų | 135 | 54% | 0.538 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -76.1 | -29.4 | 175.9 | -59.8 | 174 | 0 | 0 | 0 | 111.3 | F25 I27 T35 | F25-I30 HydrophobicContact CB-CD1 4.05Å; F25-I30 HydrophobicContact CB-CG1 4.32Å; F25-I30 HydrophobicContact CD1-CG1 4.33Å; I27-I30 PolarHBondContact O-N 3.36Å; I30-T35 PolarHBondContact O-OG1 3.16Å; I30-T35 VanDerWaalsContact O-OG1 3.12Å |
| 31 | L | 56.5 | Low | 61.4 | Low | 124 Ų | 124 | 130.9 Ų | 130.9 | 65% | 0.649 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -94.8 | 4.3 | 175.6 | -61.3 | 178.7 | 0 | 0 | 0 | 112.6 | I27 K33 | I27-L31 HydrophobicContact CG2-CD1 3.83Å; I27-L31 HydrophobicContact CG2-CG 4.32Å; I27-L31 WeakPolarHBondContact O-CG 3.44Å; I27-L31 PolarHBondContact O-N 3.01Å; L31-K33 PolarHBondContact O-N 3.47Å |
| 32 | S | 72.1 | Confident | 61.6 | Low | 30 Ų | 30 | 125.1 Ų | 125.1 | 21% | 0.21 | 60% | 0.6 | C | S | . | * | trans | -59.8 | 134.4 | 174.9 | 67 | 0 | 0 | 0 | 0 | 108.9 | D28 E29 E34 T35 C36 | D28-S32 PolarHBondContact O-N 3.38Å; E29-S32 WeakPolarHBondContact O-CB 3.44Å; E29-S32 PolarHBondContact O-N 3.36Å; E29-S32 PolarHBondContact O-OG 3.45Å; S32-E34 PolarHBondContact O-N 2.89Å; S32-T35 PolarHBondContact O-N 3.21Å; S32-T35 PolarHBondContact O-OG1 3.01Å; S32-T35 WeakPolarHBondContact OG-CG2 3.3Å; S32-T35 PolarHBondContact OG-OG1 2.95Å; S32-C36 PolarHBondContact O-N 3.05Å; S32-C36 VanDerWaalsContact O-N 3.14Å | ||
| 33 | K | 59.1 | Low | 61.6 | Low | 148 Ų | 148 | 118.1 Ų | 118.1 | 64% | 0.643 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -53.7 | -30.9 | -175.8 | -170.2 | 179.5 | -179.5 | -58.5 | 0 | 112.3 | L31 C36 D37 | L31-K33 PolarHBondContact O-N 3.47Å; K33-C36 PolarHBondContact O-N 3.36Å; K33-D37 IonicContact NZ-OD1 3.45Å; K33-D37 IonicContact NZ-OD2 2.71Å; K33-D37 PolarHBondContact NZ-OD2 2.85Å; K33-D37 WeakPolarHBondContact O-CB 3.46Å; K33-D37 PolarHBondContact O-N 3.41Å |
| 34 | E | 67.1 | Low | 61.8 | Low | 161 Ų | 161 | 115.4 Ų | 115.4 | 75% | 0.752 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.7 | -41.3 | 179.1 | -39.6 | -179.9 | -152.3 | 0 | 0 | 112.7 | S32 Y38 | S32-E34 PolarHBondContact O-N 2.89Å; E34-Y38 WeakPolarHBondContact O-CB 3.43Å; E34-Y38 PolarHBondContact O-N 3.16Å; E34-Y38 VanDerWaalsContact O-N 3.12Å |
| 35 | T | 62.8 | Low | 62 | Low | 57 Ų | 57 | 120.2 Ų | 120.2 | 35% | 0.35 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -78.2 | -32.5 | 178 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | E29 I30 S32 Y38 F39 | E29-T35 PolarHBondContact O-OG1 2.9Å; I30-T35 PolarHBondContact O-OG1 3.16Å; I30-T35 VanDerWaalsContact O-OG1 3.12Å; S32-T35 PolarHBondContact O-N 3.21Å; S32-T35 PolarHBondContact O-OG1 3.01Å; S32-T35 WeakPolarHBondContact OG-CG2 3.3Å; S32-T35 PolarHBondContact OG-OG1 2.95Å; T35-Y38 PolarHBondContact O-N 3.43Å; T35-F39 PolarHBondContact O-N 3.09Å |
| 36 | C | 59.9 | Low | 61.4 | Low | 75 Ų | 75 | 117.7 Ų | 117.7 | 51% | 0.507 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.5 | -48.2 | 173.6 | -143.4 | 0 | 0 | 0 | 0 | 110.9 | S32 K33 Y38 F39 E40 | S32-C36 PolarHBondContact O-N 3.05Å; S32-C36 VanDerWaalsContact O-N 3.14Å; K33-C36 PolarHBondContact O-N 3.36Å; C36-Y38 PolarHBondContact O-N 2.99Å; C36-F39 PolarHBondContact O-N 3.19Å; C36-F39 VanDerWaalsContact O-N 3.17Å; C36-E40 WeakPolarHBondContact O-CB 3.45Å; C36-E40 PolarHBondContact O-N 2.84Å |
| 37 | D | 62.1 | Low | 60.6 | Low | 74 Ų | 74 | 117.4 Ų | 117.4 | 40% | 0.396 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.4 | -34.6 | 175.7 | -70.8 | -11.1 | 0 | 0 | 0 | 110.8 | K33 K41 | K33-D37 IonicContact NZ-OD1 3.45Å; K33-D37 IonicContact NZ-OD2 2.71Å; K33-D37 PolarHBondContact NZ-OD2 2.85Å; K33-D37 WeakPolarHBondContact O-CB 3.46Å; K33-D37 PolarHBondContact O-N 3.41Å; D37-K41 VanDerWaalsContact O-CB 3.28Å; D37-K41 WeakPolarHBondContact O-CB 3.5Å; D37-K41 PolarHBondContact O-N 3.11Å |
| 38 | Y | 62 | Low | 59.7 | Low | 159 Ų | 159 | 116.3 Ų | 116.3 | 62% | 0.624 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.3 | -42.1 | 175 | -171.5 | -104.5 | 0 | 0 | 0 | 112.8 | E34 T35 C36 K41 L42 | E34-Y38 WeakPolarHBondContact O-CB 3.43Å; E34-Y38 PolarHBondContact O-N 3.16Å; E34-Y38 VanDerWaalsContact O-N 3.12Å; T35-Y38 PolarHBondContact O-N 3.43Å; C36-Y38 PolarHBondContact O-N 2.99Å; Y38-K41 PolarHBondContact O-N 2.89Å; Y38-L42 HydrophobicContact CD1-CD1 3.45Å; Y38-L42 VanDerWaalsContact CD1-CD1 3.45Å; Y38-L42 HydrophobicContact CE1-CD1 3.1Å; Y38-L42 HydrophobicContact CE2-CD1 4.27Å; Y38-L42 HydrophobicContact CG-CD1 4.17Å; Y38-L42 WeakPolarHBondContact O-CD1 3.32Å; Y38-L42 PolarHBondContact O-N 3.4Å |
| 39 | F | 61.6 | Low | 59.4 | Low | 160 Ų | 160 | 116.9 Ų | 116.9 | 70% | 0.702 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.4 | -36.5 | 178 | -150.6 | -91.4 | 0 | 0 | 0 | 111.9 | T35 C36 L42 S43 | T35-F39 PolarHBondContact O-N 3.09Å; C36-F39 PolarHBondContact O-N 3.19Å; C36-F39 VanDerWaalsContact O-N 3.17Å; F39-L42 PolarHBondContact O-N 3.44Å; F39-S43 PolarHBondContact O-N 3.07Å |
| 40 | E | 64.8 | Low | 58.8 | Low | 127 Ų | 127 | 116.6 Ų | 116.6 | 59% | 0.593 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.8 | -38.4 | 174.4 | -158.4 | 169.4 | -157.7 | 0 | 0 | 111.4 | C36 S43 L44 | C36-E40 WeakPolarHBondContact O-CB 3.45Å; C36-E40 PolarHBondContact O-N 2.84Å; E40-S43 WeakPolarHBondContact O-CB 3.14Å; E40-S43 PolarHBondContact O-N 3.48Å; E40-L44 PolarHBondContact O-N 2.96Å |
| 41 | K | 57.5 | Low | 58.1 | Low | 158 Ų | 158 | 119 Ų | 119 | 69% | 0.687 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.5 | -35 | 174.6 | -150.5 | 172.7 | -168.8 | 178.4 | 0 | 113 | D37 Y38 L44 Y45 | D37-K41 VanDerWaalsContact O-CB 3.28Å; D37-K41 WeakPolarHBondContact O-CB 3.5Å; D37-K41 PolarHBondContact O-N 3.11Å; Y38-K41 PolarHBondContact O-N 2.89Å; K41-L44 PolarHBondContact O-N 3.45Å; K41-Y45 PolarHBondContact O-N 3.2Å |
| 42 | L | 61.9 | Low | 58 | Low | 93 Ų | 93 | 119.7 Ų | 119.7 | 49% | 0.487 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -68.1 | -35.5 | 170.1 | -97.3 | 130.1 | 0 | 0 | 0 | 112.3 | Y38 F39 Y45 | Y38-L42 HydrophobicContact CD1-CD1 3.45Å; Y38-L42 VanDerWaalsContact CD1-CD1 3.45Å; Y38-L42 HydrophobicContact CE1-CD1 3.1Å; Y38-L42 HydrophobicContact CE2-CD1 4.27Å; Y38-L42 HydrophobicContact CG-CD1 4.17Å; Y38-L42 WeakPolarHBondContact O-CD1 3.32Å; Y38-L42 PolarHBondContact O-N 3.4Å; F39-L42 PolarHBondContact O-N 3.44Å; L42-Y45 PolarHBondContact O-N 3.23Å |
| 43 | S | 54.2 | Low | 56.9 | Low | 79 Ų | 79 | 124.2 Ų | 124.2 | 55% | 0.552 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -66.4 | -36.7 | 174.7 | -169.1 | 0 | 0 | 0 | 0 | 112.2 | F39 E40 Y45 S46 | F39-S43 PolarHBondContact O-N 3.07Å; E40-S43 WeakPolarHBondContact O-CB 3.14Å; E40-S43 PolarHBondContact O-N 3.48Å; S43-Y45 VanDerWaalsContact C-N 3.31Å; S43-Y45 PolarHBondContact O-N 2.89Å; S43-S46 PolarHBondContact O-N 3.39Å |
| 44 | L | 55.5 | Low | 56.6 | Low | 136 Ų | 136 | 127.9 Ų | 127.9 | 71% | 0.712 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -68.2 | -26.3 | 176.1 | -89.1 | 159.4 | 0 | 0 | 0 | 113.5 | E40 K41 | E40-L44 PolarHBondContact O-N 2.96Å; K41-L44 PolarHBondContact O-N 3.45Å |
| 45 | Y | 57 | Low | 55.8 | Low | 219 Ų | 219 | 125.7 Ų | 125.7 | 86% | 0.859 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -2 | 179.1 | -152.8 | -104.5 | 0 | 0 | 0 | 113.9 | K41 L42 S43 | K41-Y45 PolarHBondContact O-N 3.2Å; L42-Y45 PolarHBondContact O-N 3.23Å; S43-Y45 VanDerWaalsContact C-N 3.31Å; S43-Y45 PolarHBondContact O-N 2.89Å |
| 46 | S | 46.8 | Very low | 55 | Low | 100 Ų | 100 | 131.9 Ų | 131.9 | 70% | 0.699 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -0 | 177.7 | -173.8 | 0 | 0 | 0 | 0 | 114.1 | S43 | S43-S46 PolarHBondContact O-N 3.39Š|
| 47 | V | 52.8 | Low | 54.5 | Low | 113 Ų | 113 | 134.2 Ų | 134.2 | 69% | 0.685 | 71% | 0.707 | S | S | * | * | trans | -96.8 | 102.5 | 178.1 | -170.9 | 0 | 0 | 0 | 0 | 109.3 | P49 | V47-P49 WeakPolarHBondContact O-CD 3.43Š| ||
| 48 | C | 44.4 | Very low | 53.8 | Low | 103 Ų | 103 | 138 Ų | 138 | 70% | 0.696 | 73% | 0.726 | S | S | * | * | trans | -57.5 | 122.2 | 169.2 | -70.3 | 0 | 0 | 0 | 0 | 110.5 | S50 | C48-S50 VanDerWaalsContact C-N 3.27Å; C48-S50 PolarHBondContact O-N 3.1Å; C48-S50 VanDerWaalsContact O-N 3.08Å | ||
| 49 | P | 56.3 | Low | 52.9 | Low | 135 Ų | 135 | 138.2 Ų | 138.2 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -87.6 | 58.9 | 178.2 | 35.7 | -32.8 | 0 | 0 | 0 | 111.1 | V47 | V47-P49 WeakPolarHBondContact O-CD 3.43Š|
| 50 | S | 54.9 | Low | 52.2 | Low | 93 Ų | 93 | 136.6 Ų | 136.6 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | trans | -153.4 | 28.2 | 177.3 | 63 | 0 | 0 | 0 | 0 | 116.6 | C48 | C48-S50 VanDerWaalsContact C-N 3.27Å; C48-S50 PolarHBondContact O-N 3.1Å; C48-S50 VanDerWaalsContact O-N 3.08Å | ||
| 51 | L | 50.7 | Low | 51 | Low | 156 Ų | 156 | 136.4 Ų | 136.4 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | trans | -116.5 | 70.9 | 162.6 | -62.9 | 179.7 | 0 | 0 | 0 | 110.1 | V53 | L51-V53 PolarHBondContact O-N 3.41Š| ||
| 52 | V | 54 | Low | 50.6 | Low | 137 Ų | 137 | 136.2 Ų | 136.2 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | trans | -70.1 | 87.5 | 160.5 | -179.9 | 0 | 0 | 0 | 0 | 107 | R54 | V52-R54 PolarHBondContact O-N 3.46Å; V52-R54 VanDerWaalsContact O-N 3.08Å | ||
| 53 | V | 49.3 | Very low | 49.5 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | trans | -73.8 | 97.5 | 165.7 | 179.3 | 0 | 0 | 0 | 0 | 106.7 | L51 P55 | L51-V53 PolarHBondContact O-N 3.41Å; V53-P55 VanDerWaalsContact O-CD 3.29Å; V53-P55 WeakPolarHBondContact O-CD 3.38Å | ||
| 54 | R | 52.4 | Low | 49.1 | Very low | 226 Ų | 226 | 137.6 Ų | 137.6 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 116.6 | 173.7 | -155.6 | 175.4 | -166.4 | 143.3 | 0.1 | 108.5 | V52 K56 | V52-R54 PolarHBondContact O-N 3.46Å; V52-R54 VanDerWaalsContact O-N 3.08Å; R54-K56 PolarHBondContact O-N 2.92Å |
| 55 | P | 49.8 | Very low | 49.3 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 122.6 | 171.7 | 26 | -30.1 | 0 | 0 | 0 | 108.9 | V53 | V53-P55 VanDerWaalsContact O-CD 3.29Å; V53-P55 WeakPolarHBondContact O-CD 3.38Å |
| 56 | K | 46.4 | Very low | 48.9 | Very low | 188 Ų | 188 | 131.6 Ų | 131.6 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 126.7 | 166.5 | -87.1 | 167 | 171.1 | 163.3 | 0 | 108 | R54 L58 | R54-K56 PolarHBondContact O-N 2.92Å; K56-L58 PolarHBondContact O-N 3.35Å; K56-L58 VanDerWaalsContact O-N 3.11Å |
| 57 | P | 50.6 | Low | 49.2 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | trans | -74.2 | 105.3 | 173.1 | 29.3 | -28.3 | 0 | 0 | 0 | 107.6 | ||||
| 58 | L | 45.9 | Very low | 49.4 | Very low | 152 Ų | 152 | 139 Ų | 139 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | trans | -87.1 | 111.5 | 160.9 | -72.2 | 179.6 | 0 | 0 | 0 | 107.8 | K56 | K56-L58 PolarHBondContact O-N 3.35Å; K56-L58 VanDerWaalsContact O-N 3.11Å | ||
| 59 | H | 44.7 | Very low | 49.4 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | trans | 44.6 | 114.1 | 142.4 | -72.9 | -92.6 | 0 | 0 | 0 | 118.4 | C61 | H59-C61 PolarHBondContact O-N 2.87Š| ||
| 60 | S | 46.4 | Very low | 48.8 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | trans | -47.9 | 116.1 | 158.9 | -47.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 61 | C | 39.1 | Very low | 49.1 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -127.5 | 108.5 | 157.4 | -69.5 | 0 | 0 | 0 | 0 | 107.7 | H59 | H59-C61 PolarHBondContact O-N 2.87Š| ||
| 62 | T | 49.3 | Very low | 49.2 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 95% | 0.945 | 81% | 0.808 | S | S | * | * | trans | -63.2 | 123.5 | 167.4 | 27 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 63 | G | 39.3 | Very low | 49.1 | Very low | 77 Ų | 77 | 143.4 Ų | 143.4 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -176.1 | 132.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 64 | S | 46.4 | Very low | 49 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -61.3 | 162.8 | -165.6 | -140.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 65 | P | 58 | Low | 48.8 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -93.6 | 133.8 | -169.8 | 35.6 | -27.6 | 0 | 0 | 0 | 112.4 | ||||
| 66 | S | 49.3 | Very low | 48.8 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -152.9 | 110.8 | 160.8 | -165.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 67 | L | 53.6 | Low | 48.8 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | 45.8 | 106 | 145.8 | -55.6 | -178.4 | 0 | 0 | 0 | 120.3 | ||||
| 68 | R | 56.5 | Low | 48.6 | Very low | 210 Ų | 210 | 140.5 Ų | 140.5 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | 44.9 | 98 | 130.4 | -150.8 | -146.4 | -86.6 | -170.4 | -4.5 | 117.1 | Y70 | R68-Y70 HydrophobicContact CG-CE2 4.17Š| ||
| 69 | A | 45.4 | Very low | 48.2 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -137.9 | 111 | 157.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 70 | Y | 43.4 | Very low | 48.1 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 65% | 0.651 | 79% | 0.793 | S | S | * | * | trans | -62.1 | 148.4 | 175.2 | -66.7 | -88.1 | 0 | 0 | 0 | 111 | R68 L72 | R68-Y70 HydrophobicContact CG-CE2 4.17Å; Y70-L72 PolarHBondContact O-N 3.48Å | ||
| 71 | P | 59.6 | Low | 48 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | trans | -65.9 | 110.8 | 170.7 | 27.6 | -31.7 | 0 | 0 | 0 | 108.8 | L73 | P71-L73 PolarHBondContact O-N 3.5Š| ||
| 72 | L | 52.9 | Low | 48.3 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -63.4 | 120.3 | 170.2 | -69.2 | 177.7 | 0 | 0 | 0 | 108.5 | Y70 S74 | Y70-L72 PolarHBondContact O-N 3.48Å; L72-S74 PolarHBondContact O-N 2.71Å; L72-S74 VanDerWaalsContact O-N 3.16Å | ||
| 73 | L | 53.2 | Low | 48.3 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -57.2 | 115.5 | 164.9 | -71.2 | 160 | 0 | 0 | 0 | 108 | P71 V75 | P71-L73 PolarHBondContact O-N 3.5Å; L73-V75 PolarHBondContact O-N 3.08Å | ||
| 74 | S | 46.9 | Very low | 48.2 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -63.1 | 97.5 | 173.7 | -42.6 | 0 | 0 | 0 | 0 | 109.2 | L72 I76 | L72-S74 PolarHBondContact O-N 2.71Å; L72-S74 VanDerWaalsContact O-N 3.16Å; S74-I76 PolarHBondContact O-N 3.22Å; S74-I76 VanDerWaalsContact O-N 3.11Å | ||
| 75 | V | 47.9 | Very low | 47.8 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | -65 | 108.9 | 165.2 | 173.2 | 0 | 0 | 0 | 0 | 106.7 | L73 T77 | L73-V75 PolarHBondContact O-N 3.08Å; V75-T77 HydrophobicContact CG1-CG2 4.42Å; V75-T77 PolarHBondContact O-N 3.02Å | ||
| 76 | I | 51 | Low | 47.1 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -70.6 | 80.7 | 168.1 | -60.4 | 165.9 | 0 | 0 | 0 | 106.8 | S74 R78 | S74-I76 PolarHBondContact O-N 3.22Å; S74-I76 VanDerWaalsContact O-N 3.11Å; I76-R78 HydrophobicContact CG2-CG 4.48Å; I76-R78 PolarHBondContact O-N 2.89Å | ||
| 77 | T | 45.1 | Very low | 47.3 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 60% | 0.595 | 78% | 0.777 | S | S | * | * | trans | -76.3 | 104.7 | 160.4 | 152.5 | 0 | 0 | 0 | 0 | 106.5 | V75 Q79 | V75-T77 HydrophobicContact CG1-CG2 4.42Å; V75-T77 PolarHBondContact O-N 3.02Å; T77-Q79 PolarHBondContact O-N 3.14Å | ||
| 78 | R | 46.9 | Very low | 47.1 | Very low | 229 Ų | 229 | 143.1 Ų | 143.1 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -63.8 | 97.5 | 167.4 | -80.6 | -176.4 | 155.2 | -105.4 | -2.5 | 108.1 | I76 | I76-R78 HydrophobicContact CG2-CG 4.48Å; I76-R78 PolarHBondContact O-N 2.89Å | ||
| 79 | Q | 37.5 | Very low | 46.2 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | trans | -65.1 | 132.8 | 161.6 | -69 | -75.2 | 37.8 | 0 | 0 | 108.6 | T77 | T77-Q79 PolarHBondContact O-N 3.14Š| ||
| 80 | P | 43 | Very low | 46.2 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | trans | -74 | 124.3 | 165.1 | 29.5 | -28.2 | 0 | 0 | 0 | 108.4 | V82 | P80-V82 PolarHBondContact O-N 2.81Š| ||
| 81 | T | 44.3 | Very low | 46.7 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -57.9 | 109 | 168.9 | -58.4 | 0 | 0 | 0 | 0 | 108.9 | I83 | T81-I83 HydrophobicContact CG2-CG1 4.08Å; T81-I83 PolarHBondContact O-N 2.98Å | ||
| 82 | V | 44.1 | Very low | 45.5 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | trans | -75.5 | 107.1 | 164.2 | -165.4 | 0 | 0 | 0 | 0 | 105.8 | P80 S84 | P80-V82 PolarHBondContact O-N 2.81Å; V82-S84 PolarHBondContact O-N 2.88Å | ||
| 83 | I | 50.2 | Low | 44.9 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | trans | -75.8 | 114.5 | 172.2 | -66.3 | 175.3 | 0 | 0 | 0 | 106.7 | T81 Q85 | T81-I83 HydrophobicContact CG2-CG1 4.08Å; T81-I83 PolarHBondContact O-N 2.98Å; I83-Q85 PolarHBondContact O-N 3.43Å | ||
| 84 | S | 36.2 | Very low | 44.2 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -56.4 | 128 | 170.8 | -71.5 | 0 | 0 | 0 | 0 | 110.6 | V82 | V82-S84 PolarHBondContact O-N 2.88Š| ||
| 85 | Q | 39.2 | Very low | 43.8 | Very low | 188 Ų | 188 | 134.3 Ų | 134.3 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | trans | -61.5 | 129.3 | 167.3 | -62.1 | -179.3 | -36 | 0 | 0 | 109.6 | I83 | I83-Q85 PolarHBondContact O-N 3.43Š| ||
| 86 | L | 43.8 | Very low | 43.2 | Very low | 166 Ų | 166 | 132 Ų | 132 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -129.3 | 107.3 | 158.2 | -165.2 | 73.6 | 0 | 0 | 0 | 108.1 | ||||
| 87 | V | 52 | Low | 42.4 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | -75.9 | 147.3 | 164.4 | 173.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 88 | P | 49.9 | Very low | 41.8 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | -133.3 | 133.6 | 114.6 | 18.4 | 1.1 | 0 | 0 | 0 | 112.2 | |||||
| 89 | A | 37.8 | Very low | 41.1 | Very low | 85 Ų | 85 | 127.2 Ų | 127.2 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | trans | -74.1 | 145.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 90 | T | 44.7 | Very low | 41.2 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | trans | -150.6 | 155.9 | 141.4 | 40.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 91 | P | 53.7 | Low | 41.3 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 84% | 0.844 | 78% | 0.781 | S | S | * | * | trans | -106.3 | 166.7 | -153.3 | 38.7 | -30.2 | 0 | 0 | 0 | 114.1 | ||||
| 92 | G | 34.4 | Very low | 40.7 | Very low | 67 Ų | 67 | 129.2 Ų | 129.2 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | 129.4 | 101.4 | 140.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 93 | I | 40.5 | Very low | 40.4 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | trans | 63.9 | 120.8 | 130.8 | -56.4 | 166.9 | 0 | 0 | 0 | 120.2 | ||||
| 94 | A | 39.2 | Very low | 39.6 | Very low | 83 Ų | 83 | 131.8 Ų | 131.8 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | trans | 139.7 | 101 | 135.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 95 | Q | 38.7 | Very low | 39.5 | Very low | 185 Ų | 185 | 130.9 Ų | 130.9 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | 79.3 | 134.6 | 86.1 | -83.1 | -167.3 | 56.6 | 0 | 0 | 115.2 | |||||
| 96 | A | 34.6 | Very low | 39.2 | Very low | 73 Ų | 73 | 128.2 Ų | 128.2 | 60% | 0.603 | 79% | 0.785 | S | S | * | * | trans | 87.6 | 119.3 | 144.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 97 | L | 34.1 | Very low | 38.6 | Very low | 171 Ų | 171 | 125.4 Ų | 125.4 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | 60.4 | 150.1 | 127.8 | -55.8 | 174.6 | 0 | 0 | 0 | 116.4 | |||||
| 98 | S | 32.4 | Very low | 37.9 | Very low | 93 Ų | 93 | 124.2 Ų | 124.2 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | cis | 173.6 | 164.7 | -3.4 | 174.9 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 99 | C | 32.3 | Very low | 37 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | trans | 80.9 | 115.3 | 157.3 | -59 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 100 | H | 41.3 | Very low | 37.1 | Very low | 183 Ų | 183 | 127 Ų | 127 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | trans | -55.7 | 166.9 | 141.5 | -47.6 | -88 | 0 | 0 | 0 | 110.6 | ||||
| 101 | P | 44.4 | Very low | 37.2 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | -144.4 | 161.5 | 76.7 | 30.5 | -8.9 | 0 | 0 | 0 | 116.3 | |||||
| 102 | V | 32.2 | Very low | 36.3 | Very low | 121 Ų | 121 | 123.8 Ų | 123.8 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -24.4 | 136.4 | 149.8 | 171 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 103 | T | 36.8 | Very low | 36.4 | Very low | 145 Ų | 145 | 124.3 Ų | 124.3 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -147.4 | 114 | 143.9 | 44 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 104 | E | 33.6 | Very low | 36.6 | Very low | 186 Ų | 186 | 125.7 Ų | 125.7 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -74.4 | 146.1 | 159.7 | -69.4 | -179.6 | 96 | 0 | 0 | 110.6 | ||||
| 105 | A | 34.3 | Very low | 36.6 | Very low | 92 Ų | 92 | 126.5 Ų | 126.5 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | 177.8 | 105.2 | 148.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 106 | V | 32 | Very low | 36.9 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | 80.4 | 125.8 | 83.8 | 101.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 107 | S | 30.9 | Very low | 37.4 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | 67.6 | 115 | 147.9 | -78.7 | 0 | 0 | 0 | 0 | 124 | ||||
| 108 | A | 37.9 | Very low | 37.9 | Very low | 89 Ų | 89 | 125.4 Ų | 125.4 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | 84 | 136.7 | 108.4 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 109 | E | 31.8 | Very low | 38.5 | Very low | 185 Ų | 185 | 126.1 Ų | 126.1 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | 85.2 | 131.7 | 146.9 | -80.1 | -99.5 | 70.8 | 0 | 0 | 121.3 | ||||
| 110 | A | 39 | Very low | 39.2 | Very low | 80 Ų | 80 | 129 Ų | 129 | 66% | 0.661 | 81% | 0.814 | S | S | * | * | trans | -78 | -169.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 111 | P | 46.2 | Very low | 39 | Very low | 123 Ų | 123 | 125.8 Ų | 125.8 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | cis | -151.6 | -179.6 | 38.2 | 36.8 | -11.1 | 0 | 0 | 0 | 117.1 | ||||
| 112 | G | 35.1 | Very low | 39.2 | Very low | 81 Ų | 81 | 129 Ų | 129 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | 48.5 | 119.1 | 134.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 113 | G | 38.1 | Very low | 39.6 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -161.6 | 88 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 114 | E | 43.7 | Very low | 39.9 | Very low | 193 Ų | 193 | 131.1 Ų | 131.1 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -66.3 | 132.7 | 164.9 | 53 | -151.3 | 83.6 | 0 | 0 | 112 | ||||
| 115 | A | 39.7 | Very low | 40.6 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -148.6 | 107.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 116 | L | 45.6 | Very low | 41 | Very low | 185 Ų | 185 | 129.8 Ų | 129.8 | 97% | 0.969 | 80% | 0.804 | S | S | * | * | trans | -68.1 | 130.6 | 161.9 | -70.1 | 163.1 | 0 | 0 | 0 | 109 | ||||
| 117 | A | 43.8 | Very low | 41.8 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -145.7 | 108.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 118 | S | 44.1 | Very low | 42.9 | Very low | 119 Ų | 119 | 129 Ų | 129 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -72.6 | 137 | 160.6 | -64.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 119 | S | 45.3 | Very low | 43.9 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -177.8 | 129.6 | 137.6 | -87.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 120 | E | 47.1 | Very low | 45.3 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -49.5 | 141.2 | 165.4 | 55.2 | -117 | 63.9 | 0 | 0 | 114.6 | ||||
| 121 | S | 38.2 | Very low | 46.7 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | -163.5 | 114.9 | 139.8 | -6 | 0 | 0 | 0 | 0 | 109.8 | T123 | S121-T123 PolarHBondContact O-N 2.63Š| ||
| 122 | E | 47.2 | Very low | 47.9 | Very low | 191 Ų | 191 | 144.7 Ų | 144.7 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -58.4 | 129.8 | 166 | -73.4 | -174.8 | 79.8 | 0 | 0 | 110.8 | ||||
| 123 | T | 40.8 | Very low | 49.7 | Very low | 124 Ų | 124 | 146.6 Ų | 146.6 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | trans | -154.4 | 87.6 | 147.7 | -62.3 | 0 | 0 | 0 | 0 | 106.5 | S121 Q125 | S121-T123 PolarHBondContact O-N 2.63Å; T123-Q125 VanDerWaalsContact C-N 3.32Å; T123-Q125 HydrophobicContact CG2-CG 4.34Å; T123-Q125 PolarHBondContact O-N 3.22Å | ||
| 124 | E | 44.4 | Very low | 51.6 | Low | 188 Ų | 188 | 154.6 Ų | 154.6 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -73.9 | 88.2 | 172.8 | -149.5 | -160.3 | 132.1 | 0 | 0 | 109.2 | ||||
| 125 | Q | 46.8 | Very low | 53.3 | Low | 145 Ų | 145 | 157 Ų | 157 | 68% | 0.678 | 82% | 0.82 | S | S | * | * | trans | -90.1 | 124.7 | 161.6 | -94.7 | -89 | 17.7 | 0 | 0 | 108.2 | T123 T127 | T123-Q125 VanDerWaalsContact C-N 3.32Å; T123-Q125 HydrophobicContact CG2-CG 4.34Å; T123-Q125 PolarHBondContact O-N 3.22Å; Q125-T127 VanDerWaalsContact C-N 3.28Å; Q125-T127 PolarHBondContact O-N 3.09Å | ||
| 126 | P | 42.5 | Very low | 55.2 | Low | 104 Ų | 104 | 157.7 Ų | 157.7 | 68% | 0.675 | 82% | 0.818 | S | S | * | * | trans | -73.4 | 85.9 | 178.1 | 29.7 | -32 | 0 | 0 | 0 | 109 | ||||
| 127 | T | 50.1 | Low | 57.4 | Low | 113 Ų | 113 | 160 Ų | 160 | 69% | 0.693 | 81% | 0.813 | S | S | * | * | trans | -60.6 | 127.9 | 170.7 | 55.4 | 0 | 0 | 0 | 0 | 108.7 | Q125 R129 | Q125-T127 VanDerWaalsContact C-N 3.28Å; Q125-T127 PolarHBondContact O-N 3.09Å; T127-R129 PolarHBondContact O-N 3.08Å | ||
| 128 | P | 53.6 | Low | 59.5 | Low | 111 Ų | 111 | 159.4 Ų | 159.4 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | trans | -62 | 113.4 | 178 | 24 | -31.5 | 0 | 0 | 0 | 107.4 | Q130 | P128-Q130 VanDerWaalsContact C-N 3.29Å; P128-Q130 PolarHBondContact O-N 3.29Å | ||
| 129 | R | 58.9 | Low | 61.9 | Low | 241 Ų | 241 | 160.8 Ų | 160.8 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -53.8 | 93.6 | 179.4 | -61.5 | 179.1 | -166 | -111.1 | -0.6 | 108.5 | T127 K131 | T127-R129 PolarHBondContact O-N 3.08Å; R129-K131 PolarHBondContact O-N 3.15Å | ||
| 130 | Q | 61.9 | Low | 64.4 | Low | 174 Ų | 174 | 157.9 Ų | 157.9 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -62.3 | 111.3 | 177.2 | -67.3 | -155 | -14.3 | 0 | 0 | 106.8 | P128 K132 | P128-Q130 VanDerWaalsContact C-N 3.29Å; P128-Q130 PolarHBondContact O-N 3.29Å; Q130-K132 PolarHBondContact O-N 3.5Å | ||
| 131 | K | 66.8 | Low | 66.8 | Low | 203 Ų | 203 | 153.2 Ų | 153.2 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | -58.4 | 107.6 | 177.6 | -65.5 | 177.3 | -178.2 | 176.8 | 0 | 106.1 | R129 P133 | R129-K131 PolarHBondContact O-N 3.15Å; K131-P133 WeakPolarHBondContact O-CD 3.37Å; K131-P133 VanDerWaalsContact O-N 3.1Å | ||
| 132 | K | 71.4 | Confident | 69.7 | Low | 187 Ų | 187 | 154.7 Ų | 154.7 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 121.6 | 179.5 | -86.3 | 82.2 | 175.5 | -178.4 | 0 | 108 | Q130 R134 | Q130-K132 PolarHBondContact O-N 3.5Å; K132-R134 PolarHBondContact O-N 3.29Å |
| 133 | P | 73.4 | Confident | 72.1 | Confident | 121 Ų | 121 | 151.3 Ų | 151.3 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 133.1 | 178.4 | -26 | 33.5 | 0 | 0 | 0 | 109.9 | K131 R135 | K131-P133 WeakPolarHBondContact O-CD 3.37Å; K131-P133 VanDerWaalsContact O-N 3.1Å; P133-R135 PolarHBondContact O-N 3.16Å |
| 134 | R | 78.3 | Confident | 74.8 | Confident | 246 Ų | 246 | 147.1 Ų | 147.1 | 93% | 0.928 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 126.7 | 171.8 | -72.5 | -177.2 | 164.7 | -166.8 | -3.8 | 107.6 | K132 S136 | K132-R134 PolarHBondContact O-N 3.29Å; R134-S136 PolarHBondContact O-N 2.89Å |
| 135 | R | 79.1 | Confident | 77.4 | Confident | 245 Ų | 245 | 141 Ų | 141 | 93% | 0.925 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 125.9 | 175.5 | -70 | -179.2 | -174.8 | 141.7 | 0.5 | 109 | P133 | P133-R135 PolarHBondContact O-N 3.16Š|
| 136 | S | 80.6 | Confident | 79.8 | Confident | 114 Ų | 114 | 139.7 Ų | 139.7 | 80% | 0.797 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 140.5 | 173.8 | -62.8 | 0 | 0 | 0 | 0 | 110.1 | R134 T138 | R134-S136 PolarHBondContact O-N 2.89Å; S136-T138 PolarHBondContact O-N 2.71Å |
| 137 | R | 90.3 | Very high | 82.5 | Confident | 233 Ų | 233 | 135.6 Ų | 135.6 | 88% | 0.879 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 130.2 | 177.5 | -70.8 | 179.4 | 176.3 | 169.3 | -1.9 | 109.3 | ||
| 138 | T | 88.6 | Confident | 84.8 | Confident | 89 Ų | 89 | 130.2 Ų | 130.2 | 55% | 0.546 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -74.4 | 137.2 | 170 | -44.3 | 0 | 0 | 0 | 0 | 110.2 | S136 F140 | S136-T138 PolarHBondContact O-N 2.71Å; T138-F140 HydrophobicContact CG2-CE1 4.43Å |
| 139 | I | 94.5 | Very high | 86.9 | Confident | 148 Ų | 148 | 127.1 Ų | 127.1 | 76% | 0.759 | 60% | 0.595 | S | S | * | * | trans | -106.3 | 131 | 169.7 | -54.1 | -60.2 | 0 | 0 | 0 | 107.6 | ||||
| 140 | F | 97.6 | Very high | 88.8 | Confident | 48 Ų | 48 | 122 Ų | 122 | 21% | 0.211 | 58% | 0.58 | C | S | . | * | trans | -86.7 | 146.8 | 176.1 | -58.7 | -54 | 0 | 0 | 0 | 110.2 | T138 Q144 L145 L172 Q176 W180 | T138-F140 HydrophobicContact CG2-CE1 4.43Å; F140-Q144 HydrophobicContact CB-CB 4.27Å; F140-L145 HydrophobicContact CB-CD2 3.88Å; F140-L145 HydrophobicContact CB-CG 4.03Å; F140-L145 HydrophobicContact CD2-CD2 4.09Å; F140-L145 HydrophobicContact CG-CD2 4.43Å; F140-L172 HydrophobicContact CD1-CD1 4.31Å; F140-L172 HydrophobicContact CD1-CD2 3.8Å; F140-L172 HydrophobicContact CE1-CD1 4.28Å; F140-L172 HydrophobicContact CE1-CD2 3.81Å; F140-Q176 HydrophobicContact CE1-CB 4.12Å; F140-Q176 HydrophobicContact CE1-CG 4.26Å; F140-Q176 HydrophobicContact CZ-CB 4.1Å; F140-Q176 HydrophobicContact CZ-CG 4.37Å; F140-W180 AromaticContact CD2-CD1 3.89Å; F140-W180 HydrophobicContact CE2-CB 4.47Å; F140-W180 AromaticContact CE2-CD1 3.71Å; F140-W180 HydrophobicContact CE2-CG 4.47Å | ||
| 141 | T | 98.3 | Very high | 90.6 | Very high | 76 Ų | 76 | 116.5 Ų | 116.5 | 47% | 0.466 | 55% | 0.553 | S | S | . | * | trans | -72.4 | 161.4 | 173.7 | 70.2 | 0 | 0 | 0 | 0 | 110.9 | L143 Q144 L145 | T141-L143 VanDerWaalsContact C-N 3.29Å; T141-L143 PolarHBondContact O-N 3.31Å; T141-Q144 WeakPolarHBondContact O-CB 3.22Å; T141-Q144 PolarHBondContact O-N 3.45Å; T141-Q144 VanDerWaalsContact O-N 3.16Å; T141-Q144 VanDerWaalsContact OG1-CG 3.3Å; T141-Q144 WeakPolarHBondContact OG1-CG 3.26Å; T141-Q144 PolarHBondContact OG1-N 3.33Å; T141-L145 WeakPolarHBondContact O-CG 3.3Å; T141-L145 PolarHBondContact O-N 3.35Å | ||
| 142 | E | 97.8 | Very high | 92.1 | Very high | 147 Ų | 147 | 106.9 Ų | 106.9 | 69% | 0.687 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.9 | -41.9 | 178.1 | -168.8 | 59.8 | -151.1 | 0 | 0 | 111.9 | Q144 L145 M146 | E142-Q144 VanDerWaalsContact C-N 3.32Å; E142-Q144 PolarHBondContact O-N 2.86Å; E142-L145 PolarHBondContact O-N 2.71Å; E142-M146 WeakPolarHBondContact O-CB 3.23Å; E142-M146 PolarHBondContact O-N 3.29Å |
| 143 | L | 98.1 | Very high | 93.3 | Very high | 121 Ų | 121 | 104 Ų | 104 | 63% | 0.634 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.8 | -42 | 176.9 | -177.7 | 62.8 | 0 | 0 | 0 | 111.9 | T141 M146 G147 | T141-L143 VanDerWaalsContact C-N 3.29Å; T141-L143 PolarHBondContact O-N 3.31Å; L143-M146 HydrophobicContact CD1-CE 3.96Å; L143-M146 PolarHBondContact O-N 3.24Å; L143-G147 PolarHBondContact O-N 2.78Å |
| 144 | Q | 98.4 | Very high | 94.5 | Very high | 35 Ų | 35 | 106.2 Ų | 106.2 | 16% | 0.164 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 176.5 | -72.7 | 172.7 | -22.3 | 0 | 0 | 111.4 | F140 T141 E142 M146 G147 L148 L170 L172 | F140-Q144 HydrophobicContact CB-CB 4.27Å; T141-Q144 WeakPolarHBondContact O-CB 3.22Å; T141-Q144 PolarHBondContact O-N 3.45Å; T141-Q144 VanDerWaalsContact O-N 3.16Å; T141-Q144 VanDerWaalsContact OG1-CG 3.3Å; T141-Q144 WeakPolarHBondContact OG1-CG 3.26Å; T141-Q144 PolarHBondContact OG1-N 3.33Å; E142-Q144 VanDerWaalsContact C-N 3.32Å; E142-Q144 PolarHBondContact O-N 2.86Å; Q144-M146 VanDerWaalsContact C-N 3.34Å; Q144-M146 PolarHBondContact O-N 3.31Å; Q144-G147 PolarHBondContact O-N 3.23Å; Q144-L148 WeakPolarHBondContact O-CB 3.44Å; Q144-L148 WeakPolarHBondContact O-CD1 3.43Å; Q144-L148 VanDerWaalsContact O-CG 3.22Å; Q144-L148 WeakPolarHBondContact O-CG 3.45Å; Q144-L148 PolarHBondContact O-N 3.41Å; Q144-L170 HydrophobicContact CG-CB 4.46Å; Q144-L170 PolarHBondContact NE2-O 2.82Å; Q144-L172 HydrophobicContact CB-CD1 4.5Å |
| 145 | L | 98.4 | Very high | 95.5 | Very high | 60 Ų | 60 | 97.1 Ų | 97.1 | 31% | 0.314 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 177.9 | -68 | 175.8 | 0 | 0 | 0 | 111.6 | F140 T141 E142 L148 E149 | F140-L145 HydrophobicContact CB-CD2 3.88Å; F140-L145 HydrophobicContact CB-CG 4.03Å; F140-L145 HydrophobicContact CD2-CD2 4.09Å; F140-L145 HydrophobicContact CG-CD2 4.43Å; T141-L145 WeakPolarHBondContact O-CG 3.3Å; T141-L145 PolarHBondContact O-N 3.35Å; E142-L145 PolarHBondContact O-N 2.71Å; L145-L148 PolarHBondContact O-N 2.87Å; L145-E149 WeakPolarHBondContact O-CB 3.47Å; L145-E149 PolarHBondContact O-N 3.13Å |
| 146 | M | 98.3 | Very high | 96.3 | Very high | 117 Ų | 117 | 88.2 Ų | 88.2 | 58% | 0.576 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.9 | -43.7 | 177.7 | -171.9 | 173.2 | 63.4 | 0 | 0 | 111.8 | E142 L143 Q144 E149 K150 | E142-M146 WeakPolarHBondContact O-CB 3.23Å; E142-M146 PolarHBondContact O-N 3.29Å; L143-M146 HydrophobicContact CD1-CE 3.96Å; L143-M146 PolarHBondContact O-N 3.24Å; Q144-M146 VanDerWaalsContact C-N 3.34Å; Q144-M146 PolarHBondContact O-N 3.31Å; M146-E149 PolarHBondContact O-N 3.41Å; M146-K150 VanDerWaalsContact O-CB 3.3Å; M146-K150 WeakPolarHBondContact O-CB 3.35Å; M146-K150 PolarHBondContact O-N 2.91Å |
| 147 | G | 98.3 | Very high | 97.2 | Very high | 19 Ų | 19 | 89.6 Ų | 89.6 | 20% | 0.196 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L143 Q144 K150 K151 | L143-G147 PolarHBondContact O-N 2.78Å; Q144-G147 PolarHBondContact O-N 3.23Å; G147-K150 PolarHBondContact O-N 2.94Å; G147-K151 PolarHBondContact O-N 2.95Å; G147-K151 VanDerWaalsContact O-N 3.1Å |
| 148 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 175.9 | -71.5 | 164.5 | 0 | 0 | 0 | 111.6 | Q144 L145 F152 L166 L170 L172 V177 W180 Y181 | Q144-L148 WeakPolarHBondContact O-CB 3.44Å; Q144-L148 WeakPolarHBondContact O-CD1 3.43Å; Q144-L148 VanDerWaalsContact O-CG 3.22Å; Q144-L148 WeakPolarHBondContact O-CG 3.45Å; Q144-L148 PolarHBondContact O-N 3.41Å; L145-L148 PolarHBondContact O-N 2.87Å; L148-F152 VanDerWaalsContact O-CB 3.26Å; L148-F152 WeakPolarHBondContact O-CB 3.49Å; L148-F152 PolarHBondContact O-N 3.39Å; L148-L166 HydrophobicContact CD2-CD2 3.96Å; L148-L170 HydrophobicContact CD2-CD1 3.97Å; L148-L170 HydrophobicContact CG-CD1 3.73Å; L148-L172 HydrophobicContact CD1-CD1 4.01Å; L148-L172 HydrophobicContact CD2-CD1 4.48Å; L148-V177 HydrophobicContact CD2-CG1 4.28Å; L148-V177 HydrophobicContact CD2-CG2 4.4Å; L148-W180 HydrophobicContact CB-CD2 3.95Å; L148-W180 HydrophobicContact CB-CE3 3.92Å; L148-W180 HydrophobicContact CB-CH2 3.7Å; L148-W180 HydrophobicContact CB-CZ2 3.69Å; L148-W180 HydrophobicContact CB-CZ3 3.81Å; L148-W180 HydrophobicContact CD1-CB 4.46Å; L148-W180 HydrophobicContact CD1-CD2 3.84Å; L148-W180 HydrophobicContact CD1-CE3 4.48Å; L148-W180 HydrophobicContact CD1-CG 3.79Å; L148-W180 HydrophobicContact CD2-CD2 4.33Å; L148-W180 HydrophobicContact CD2-CE3 4.22Å; L148-W180 HydrophobicContact CG-CD2 4.26Å; L148-W180 HydrophobicContact CG-CE3 4.43Å; L148-Y181 HydrophobicContact CD2-CE2 4.28Å |
| 149 | E | 98.5 | Very high | 98 | Very high | 46 Ų | 46 | 77.6 Ų | 77.6 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 179.3 | -169.8 | 61.7 | -144.2 | 0 | 0 | 111.7 | L145 M146 K151 F152 Q153 R184 | L145-E149 WeakPolarHBondContact O-CB 3.47Å; L145-E149 PolarHBondContact O-N 3.13Å; M146-E149 PolarHBondContact O-N 3.41Å; E149-K151 PolarHBondContact O-N 2.95Å; E149-F152 WeakPolarHBondContact O-CB 3.28Å; E149-F152 PolarHBondContact O-N 3.41Å; E149-F152 VanDerWaalsContact O-N 3.13Å; E149-Q153 WeakPolarHBondContact O-CG 3.48Å; E149-Q153 PolarHBondContact O-N 3.26Å; E149-R184 VanDerWaalsContact CD-NH2 3.34Å; E149-R184 IonicContact OE1-CZ 3.35Å; E149-R184 IonicContact OE1-NE 2.71Å; E149-R184 PolarHBondContact OE1-NE 3.34Å; E149-R184 IonicContact OE1-NH2 3.35Å; E149-R184 PolarHBondContact OE1-NH2 2.97Å; E149-R184 IonicContact OE2-CZ 3.29Å; E149-R184 IonicContact OE2-NE 2.8Å; E149-R184 PolarHBondContact OE2-NE 3.3Å; E149-R184 IonicContact OE2-NH2 3.57Å; E149-R184 PolarHBondContact OE2-NH2 3.41Å |
| 150 | K | 98.4 | Very high | 98.2 | Very high | 134 Ų | 134 | 74.7 Ų | 74.7 | 58% | 0.583 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -58 | -45.7 | 177.3 | -176.7 | 179.1 | -177.2 | 178.2 | 0 | 111.6 | M146 G147 | M146-K150 VanDerWaalsContact O-CB 3.3Å; M146-K150 WeakPolarHBondContact O-CB 3.35Å; M146-K150 PolarHBondContact O-N 2.91Å; G147-K150 PolarHBondContact O-N 2.94Å |
| 151 | K | 98.3 | Very high | 98.2 | Very high | 57 Ų | 57 | 76.5 Ų | 76.5 | 25% | 0.248 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.6 | -38.8 | 175.9 | -168.4 | 78.1 | 174.4 | -171 | 0 | 111 | G147 E149 Q153 K154 Q155 L158 L166 Y181 | G147-K151 PolarHBondContact O-N 2.95Å; G147-K151 VanDerWaalsContact O-N 3.1Å; E149-K151 PolarHBondContact O-N 2.95Å; K151-Q153 VanDerWaalsContact C-N 3.33Å; K151-Q153 PolarHBondContact O-N 3.46Å; K151-K154 PolarHBondContact O-N 2.86Å; K151-Q155 PolarHBondContact O-N 3.26Å; K151-L158 HydrophobicContact CG-CD2 4.07Å; K151-L166 HydrophobicContact CB-CD1 4.17Å; K151-L166 HydrophobicContact CB-CD2 4.12Å; K151-L166 HydrophobicContact CG-CD1 4.39Å; K151-L166 HydrophobicContact CG-CD2 4.07Å; K151-Y181 WeakPolarHBondContact CB-OH 3.4Å; K151-Y181 WeakPolarHBondContact CG-OH 3.49Å |
| 152 | F | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 75 Ų | 75 | 0% | 0.004 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.8 | -34.5 | 178.1 | -176.1 | -99.4 | 0 | 0 | 0 | 113.5 | L148 E149 K154 Q155 K156 W180 Y181 R184 R185 W188 | L148-F152 VanDerWaalsContact O-CB 3.26Å; L148-F152 WeakPolarHBondContact O-CB 3.49Å; L148-F152 PolarHBondContact O-N 3.39Å; E149-F152 WeakPolarHBondContact O-CB 3.28Å; E149-F152 PolarHBondContact O-N 3.41Å; E149-F152 VanDerWaalsContact O-N 3.13Å; F152-K154 VanDerWaalsContact C-N 3.29Å; F152-K154 PolarHBondContact O-N 2.89Å; F152-Q155 WeakPolarHBondContact CA-O 3.38Å; F152-Q155 CarbonylContact O-C 3.53Å; F152-K156 HydrophobicContact CD1-CD 4.1Å; F152-K156 HydrophobicContact CD2-CD 4.39Å; F152-K156 HydrophobicContact CE1-CD 3.58Å; F152-K156 HydrophobicContact CE2-CB 4.19Å; F152-K156 HydrophobicContact CE2-CD 3.91Å; F152-K156 HydrophobicContact CG-CD 4.47Å; F152-K156 HydrophobicContact CZ-CB 4.42Å; F152-K156 HydrophobicContact CZ-CD 3.47Å; F152-K156 VanDerWaalsContact CZ-CD 3.47Å; F152-K156 VanDerWaalsContact O-CD 3.32Å; F152-K156 WeakPolarHBondContact O-CD 3.38Å; F152-K156 WeakPolarHBondContact O-CE 3.45Å; F152-K156 PolarHBondContact O-NZ 2.97Å; F152-W180 HydrophobicContact CB-CH2 4.23Å; F152-W180 HydrophobicContact CB-CZ3 4Å; F152-W180 HydrophobicContact CD2-CZ3 4.4Å; F152-W180 HydrophobicContact CG-CZ3 4.29Å; F152-Y181 HydrophobicContact CB-CE1 4.37Å; F152-Y181 AromaticContact CD2-CD1 3.87Å; F152-Y181 HydrophobicContact CD2-CD1 3.87Å; F152-Y181 AromaticContact CD2-CE1 3.65Å; F152-Y181 HydrophobicContact CD2-CE1 3.65Å; F152-Y181 HydrophobicContact CE2-CD1 4.38Å; F152-Y181 HydrophobicContact CE2-CE1 4.5Å; F152-Y181 PolarHBondContact N-OH 2.9Å; F152-R184 HydrophobicContact CD1-CG 3.63Å; F152-R184 HydrophobicContact CD2-CB 4.38Å; F152-R184 HydrophobicContact CD2-CG 3.8Å; F152-R184 HydrophobicContact CE1-CG 3.56Å; F152-R184 HydrophobicContact CE2-CB 4.21Å; F152-R184 HydrophobicContact CE2-CG 3.75Å; F152-R184 HydrophobicContact CG-CG 3.76Å; F152-R184 HydrophobicContact CZ-CB 4.4Å; F152-R184 HydrophobicContact CZ-CG 3.62Å; F152-R185 HydrophobicContact CE2-CG 3.81Å; F152-R185 HydrophobicContact CZ-CG 4.22Å; F152-W188 HydrophobicContact CE1-CB 4.35Å; F152-W188 HydrophobicContact CE1-CG 4.46Å; F152-W188 HydrophobicContact CZ-CB 4.16Å; F152-W188 HydrophobicContact CZ-CG 4.36Å |
| 153 | Q | 98 | Very high | 98.3 | Very high | 127 Ų | 127 | 70.6 Ų | 70.6 | 59% | 0.593 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -58.7 | -44.3 | 175.1 | -76.1 | 173.8 | 1 | 0 | 0 | 111.3 | E149 K151 K156 | E149-Q153 WeakPolarHBondContact O-CG 3.48Å; E149-Q153 PolarHBondContact O-N 3.26Å; K151-Q153 VanDerWaalsContact C-N 3.33Å; K151-Q153 PolarHBondContact O-N 3.46Å; Q153-K156 PolarHBondContact O-NZ 3.15Å |
| 154 | K | 98 | Very high | 98.3 | Very high | 168 Ų | 168 | 68.1 Ų | 68.1 | 73% | 0.73 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -74.3 | -40.8 | 178.7 | -58.7 | -178.5 | 179.8 | -168.9 | 0 | 112.9 | K151 F152 | K151-K154 PolarHBondContact O-N 2.86Å; F152-K154 VanDerWaalsContact C-N 3.29Å; F152-K154 PolarHBondContact O-N 2.89Å |
| 155 | Q | 98.1 | Very high | 98.3 | Very high | 55 Ų | 55 | 70.5 Ų | 70.5 | 26% | 0.257 | 35% | 0.349 | S | S | . | . | trans | -141.6 | 108.8 | -170.9 | -174.2 | -179.2 | -4 | 0 | 0 | 110.5 | K151 F152 Y157 L158 D162 Y181 | K151-Q155 PolarHBondContact O-N 3.26Å; F152-Q155 WeakPolarHBondContact CA-O 3.38Å; F152-Q155 CarbonylContact O-C 3.53Å; Q155-Y157 VanDerWaalsContact C-N 3.28Å; Q155-Y157 WeakPolarHBondContact CG-O 3.36Å; Q155-Y157 PolarHBondContact NE2-O 3.25Å; Q155-Y157 PolarHBondContact O-N 3.04Å; Q155-L158 HydrophobicContact CB-CD2 4.41Å; Q155-L158 HydrophobicContact CG-CD2 4.11Å; Q155-D162 PolarHBondContact NE2-OD2 3.37Å; Q155-Y181 WeakPolarHBondContact O-CE1 3.37Å | ||
| 156 | K | 97.8 | Very high | 98.3 | Very high | 58 Ų | 58 | 68.3 Ų | 68.3 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -72.9 | -21 | -177.5 | -53.1 | -63.5 | 165.7 | -158.1 | 0 | 113.3 | F152 Q153 R185 | F152-K156 HydrophobicContact CD1-CD 4.1Å; F152-K156 HydrophobicContact CD2-CD 4.39Å; F152-K156 HydrophobicContact CE1-CD 3.58Å; F152-K156 HydrophobicContact CE2-CB 4.19Å; F152-K156 HydrophobicContact CE2-CD 3.91Å; F152-K156 HydrophobicContact CG-CD 4.47Å; F152-K156 HydrophobicContact CZ-CB 4.42Å; F152-K156 HydrophobicContact CZ-CD 3.47Å; F152-K156 VanDerWaalsContact CZ-CD 3.47Å; F152-K156 VanDerWaalsContact O-CD 3.32Å; F152-K156 WeakPolarHBondContact O-CD 3.38Å; F152-K156 WeakPolarHBondContact O-CE 3.45Å; F152-K156 PolarHBondContact O-NZ 2.97Å; Q153-K156 PolarHBondContact O-NZ 3.15Å; K156-R185 WeakPolarHBondContact O-CD 3.47Å |
| 157 | Y | 98.3 | Very high | 98.3 | Very high | 142 Ų | 142 | 63 Ų | 63 | 56% | 0.557 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -132.8 | 116.4 | -176.4 | -64.6 | -108.6 | 0 | 0 | 0 | 109.2 | Q155 | Q155-Y157 VanDerWaalsContact C-N 3.28Å; Q155-Y157 WeakPolarHBondContact CG-O 3.36Å; Q155-Y157 PolarHBondContact NE2-O 3.25Å; Q155-Y157 PolarHBondContact O-N 3.04Å |
| 158 | L | 98.2 | Very high | 98.3 | Very high | 20 Ų | 20 | 69.3 Ų | 69.3 | 11% | 0.105 | 34% | 0.337 | C | S | . | . | trans | -87.8 | 136.9 | 176.4 | -61.5 | -177.1 | 0 | 0 | 0 | 111.6 | K151 Q155 D162 R163 L166 V177 Y181 | K151-L158 HydrophobicContact CG-CD2 4.07Å; Q155-L158 HydrophobicContact CB-CD2 4.41Å; Q155-L158 HydrophobicContact CG-CD2 4.11Å; L158-D162 HydrophobicContact CB-CB 4.22Å; L158-D162 HydrophobicContact CD2-CB 4.05Å; L158-R163 HydrophobicContact CB-CB 4.37Å; L158-R163 HydrophobicContact CD1-CB 4.41Å; L158-L166 HydrophobicContact CD1-CD2 3.69Å; L158-V177 HydrophobicContact CD1-CG1 3.96Å; L158-Y181 HydrophobicContact CD1-CD1 4.39Å; L158-Y181 HydrophobicContact CD1-CD2 3.98Å; L158-Y181 HydrophobicContact CD1-CE1 3.9Å; L158-Y181 HydrophobicContact CD1-CE2 3.44Å; L158-Y181 VanDerWaalsContact CD1-CE2 3.44Å; L158-Y181 HydrophobicContact CD1-CG 4.43Å; L158-Y181 HydrophobicContact CD2-CE1 4Å; L158-Y181 HydrophobicContact CG-CD1 4.04Å; L158-Y181 HydrophobicContact CG-CD2 4.5Å; L158-Y181 HydrophobicContact CG-CE1 3.48Å; L158-Y181 VanDerWaalsContact CG-CE1 3.48Å; L158-Y181 HydrophobicContact CG-CE2 4.02Å; L158-Y181 VanDerWaalsContact CG-CZ 3.47Å | ||
| 159 | S | 98.3 | Very high | 98.3 | Very high | 50 Ų | 50 | 73.3 Ų | 73.3 | 35% | 0.35 | 37% | 0.365 | S | S | . | . | trans | -67.9 | 169.1 | 163 | 72.7 | 0 | 0 | 0 | 0 | 110.5 | P161 D162 R163 | S159-P161 WeakPolarHBondContact OG-CD 3.38Å; S159-P161 WeakPolarHBondContact OG-CG 3.39Å; S159-D162 WeakPolarHBondContact CB-OD2 3.4Å; S159-D162 PolarHBondContact N-OD2 3.34Å; S159-D162 PolarHBondContact OG-N 3.01Å; S159-D162 PolarHBondContact OG-OD2 3.01Å; S159-R163 WeakPolarHBondContact O-CB 3.32Å; S159-R163 PolarHBondContact O-N 3.5Å; S159-R163 VanDerWaalsContact O-N 3.09Å | ||
| 160 | T | 98.2 | Very high | 98.3 | Very high | 88 Ų | 88 | 72.6 Ų | 72.6 | 54% | 0.54 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.2 | -49.6 | 174.5 | -54.9 | 0 | 0 | 0 | 0 | 112.8 | R163 L164 | T160-R163 WeakPolarHBondContact O-CB 3.48Å; T160-R163 PolarHBondContact O-N 3.39Å; T160-L164 PolarHBondContact O-N 3.05Å; T160-L164 VanDerWaalsContact O-N 3.15Å |
| 161 | P | 98.3 | Very high | 98.3 | Very high | 86 Ų | 86 | 69.4 Ų | 69.4 | 56% | 0.558 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.2 | -41.9 | 178 | 23.3 | -32.9 | 0 | 0 | 0 | 112.9 | S159 R163 L164 D165 | S159-P161 WeakPolarHBondContact OG-CD 3.38Å; S159-P161 WeakPolarHBondContact OG-CG 3.39Å; P161-R163 PolarHBondContact O-N 3.27Å; P161-L164 WeakPolarHBondContact O-CB 3.49Å; P161-L164 PolarHBondContact O-N 3.11Å; P161-L164 VanDerWaalsContact O-N 3.08Å; P161-D165 PolarHBondContact O-N 3.31Å; P161-D165 VanDerWaalsContact O-N 3.07Å |
| 162 | D | 98.4 | Very high | 98.3 | Very high | 44 Ų | 44 | 67.6 Ų | 67.6 | 24% | 0.235 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.3 | -33.8 | 177.7 | -62.6 | -40.4 | 0 | 0 | 0 | 112.4 | Q155 L158 S159 L166 | Q155-D162 PolarHBondContact NE2-OD2 3.37Å; L158-D162 HydrophobicContact CB-CB 4.22Å; L158-D162 HydrophobicContact CD2-CB 4.05Å; S159-D162 WeakPolarHBondContact CB-OD2 3.4Å; S159-D162 PolarHBondContact N-OD2 3.34Å; S159-D162 PolarHBondContact OG-N 3.01Å; S159-D162 PolarHBondContact OG-OD2 3.01Å; D162-L166 WeakPolarHBondContact O-CB 3.29Å; D162-L166 PolarHBondContact O-N 3.28Å; D162-L166 VanDerWaalsContact O-N 3.09Å |
| 163 | R | 98.6 | Very high | 98.2 | Very high | 54 Ų | 54 | 71.2 Ų | 71.2 | 20% | 0.204 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.7 | -38.5 | 177.4 | -171.6 | -172.6 | -55.1 | 155.4 | 10.7 | 111.6 | L158 S159 T160 P161 A167 Q174 V177 | L158-R163 HydrophobicContact CB-CB 4.37Å; L158-R163 HydrophobicContact CD1-CB 4.41Å; S159-R163 WeakPolarHBondContact O-CB 3.32Å; S159-R163 PolarHBondContact O-N 3.5Å; S159-R163 VanDerWaalsContact O-N 3.09Å; T160-R163 WeakPolarHBondContact O-CB 3.48Å; T160-R163 PolarHBondContact O-N 3.39Å; P161-R163 PolarHBondContact O-N 3.27Å; R163-A167 WeakPolarHBondContact O-CB 3.49Å; R163-A167 PolarHBondContact O-N 3.33Å; R163-Q174 WeakPolarHBondContact CD-O 3.42Å; R163-V177 HydrophobicContact CG-CB 4.03Å; R163-V177 HydrophobicContact CG-CG1 3.82Å |
| 164 | L | 98.6 | Very high | 98.3 | Very high | 70 Ų | 70 | 69.4 Ų | 69.4 | 37% | 0.366 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.6 | -51.2 | 176.4 | -77.2 | 164.6 | 0 | 0 | 0 | 110.4 | T160 P161 L166 A167 Q168 Q174 | T160-L164 PolarHBondContact O-N 3.05Å; T160-L164 VanDerWaalsContact O-N 3.15Å; P161-L164 WeakPolarHBondContact O-CB 3.49Å; P161-L164 PolarHBondContact O-N 3.11Å; P161-L164 VanDerWaalsContact O-N 3.08Å; L164-L166 PolarHBondContact O-N 2.89Å; L164-A167 WeakPolarHBondContact O-CB 3.47Å; L164-A167 PolarHBondContact O-N 3.04Å; L164-Q168 WeakPolarHBondContact O-CG 3.4Å; L164-Q168 PolarHBondContact O-N 3.38Å; L164-Q174 HydrophobicContact CD2-CG 3.73Å; L164-Q174 HydrophobicContact CG-CG 4.39Å |
| 165 | D | 98.5 | Very high | 98.2 | Very high | 85 Ų | 85 | 66.9 Ų | 66.9 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.8 | -46.7 | 179.5 | 176.6 | 46.6 | 0 | 0 | 0 | 112.1 | P161 A167 Q168 S169 | P161-D165 PolarHBondContact O-N 3.31Å; P161-D165 VanDerWaalsContact O-N 3.07Å; D165-A167 VanDerWaalsContact C-N 3.34Å; D165-A167 PolarHBondContact O-N 2.97Å; D165-Q168 PolarHBondContact O-N 3.36Å; D165-S169 WeakPolarHBondContact O-CB 3.46Å; D165-S169 PolarHBondContact O-N 3.2Å; D165-S169 PolarHBondContact O-OG 2.99Å |
| 166 | L | 98.6 | Very high | 98.2 | Very high | 14 Ų | 14 | 66.5 Ų | 66.5 | 7% | 0.073 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 177.8 | -173.5 | 63.2 | 0 | 0 | 0 | 112.7 | L148 K151 L158 D162 L164 L170 V177 Y181 | L148-L166 HydrophobicContact CD2-CD2 3.96Å; K151-L166 HydrophobicContact CB-CD1 4.17Å; K151-L166 HydrophobicContact CB-CD2 4.12Å; K151-L166 HydrophobicContact CG-CD1 4.39Å; K151-L166 HydrophobicContact CG-CD2 4.07Å; L158-L166 HydrophobicContact CD1-CD2 3.69Å; D162-L166 WeakPolarHBondContact O-CB 3.29Å; D162-L166 PolarHBondContact O-N 3.28Å; D162-L166 VanDerWaalsContact O-N 3.09Å; L164-L166 PolarHBondContact O-N 2.89Å; L166-L170 HydrophobicContact CD1-CD1 3.73Å; L166-L170 HydrophobicContact CD1-CG 4.14Å; L166-L170 HydrophobicContact CG-CD1 4.05Å; L166-L170 WeakPolarHBondContact O-CB 3.33Å; L166-L170 WeakPolarHBondContact O-CG 3.47Å; L166-L170 PolarHBondContact O-N 3.01Å; L166-L170 VanDerWaalsContact O-N 3.16Å; L166-V177 HydrophobicContact CD2-CG1 3.95Å; L166-Y181 HydrophobicContact CD2-CE2 3.82Å |
| 167 | A | 98.5 | Very high | 98.3 | Very high | 5 Ų | 5 | 63.8 Ų | 63.8 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64 | -46.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | R163 L164 D165 L170 G171 L172 Q174 V177 | R163-A167 WeakPolarHBondContact O-CB 3.49Å; R163-A167 PolarHBondContact O-N 3.33Å; L164-A167 WeakPolarHBondContact O-CB 3.47Å; L164-A167 PolarHBondContact O-N 3.04Å; D165-A167 VanDerWaalsContact C-N 3.34Å; D165-A167 PolarHBondContact O-N 2.97Å; A167-L170 PolarHBondContact O-N 3.32Å; A167-G171 PolarHBondContact O-N 3.08Å; A167-L172 CarbonylContact C-O 3.5Å; A167-L172 VanDerWaalsContact CB-O 3.32Å; A167-L172 WeakPolarHBondContact CB-O 3.16Å; A167-L172 PolarHBondContact O-N 2.93Å; A167-Q174 HydrophobicContact CB-CG 4.46Å; A167-V177 HydrophobicContact CB-CG2 3.95Å |
| 168 | Q | 98.4 | Very high | 98.2 | Very high | 152 Ų | 152 | 61.3 Ų | 61.3 | 71% | 0.71 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.5 | -48 | 175.7 | -72.2 | 176 | -48 | 0 | 0 | 111.4 | L164 D165 L170 G171 | L164-Q168 WeakPolarHBondContact O-CG 3.4Å; L164-Q168 PolarHBondContact O-N 3.38Å; D165-Q168 PolarHBondContact O-N 3.36Å; Q168-L170 VanDerWaalsContact C-N 3.26Å; Q168-L170 PolarHBondContact O-N 2.85Å; Q168-G171 PolarHBondContact O-N 2.95Å |
| 169 | S | 98.2 | Very high | 98.2 | Very high | 84 Ų | 84 | 63.1 Ų | 63.1 | 59% | 0.587 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60 | -31.7 | -179.1 | -65.9 | 0 | 0 | 0 | 0 | 113.9 | D165 | D165-S169 WeakPolarHBondContact O-CB 3.46Å; D165-S169 PolarHBondContact O-N 3.2Å; D165-S169 PolarHBondContact O-OG 2.99Å |
| 170 | L | 97.9 | Very high | 98.2 | Very high | 31 Ų | 31 | 62.3 Ų | 62.3 | 16% | 0.162 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -104.8 | 0.9 | -176.7 | -60.8 | -179.4 | 0 | 0 | 0 | 114.1 | Q144 L148 L166 A167 Q168 L172 | Q144-L170 HydrophobicContact CG-CB 4.46Å; Q144-L170 PolarHBondContact NE2-O 2.82Å; L148-L170 HydrophobicContact CD2-CD1 3.97Å; L148-L170 HydrophobicContact CG-CD1 3.73Å; L166-L170 HydrophobicContact CD1-CD1 3.73Å; L166-L170 HydrophobicContact CD1-CG 4.14Å; L166-L170 HydrophobicContact CG-CD1 4.05Å; L166-L170 WeakPolarHBondContact O-CB 3.33Å; L166-L170 WeakPolarHBondContact O-CG 3.47Å; L166-L170 PolarHBondContact O-N 3.01Å; L166-L170 VanDerWaalsContact O-N 3.16Å; A167-L170 PolarHBondContact O-N 3.32Å; Q168-L170 VanDerWaalsContact C-N 3.26Å; Q168-L170 PolarHBondContact O-N 2.85Å; L170-L172 VanDerWaalsContact C-N 3.3Å; L170-L172 HydrophobicContact CB-CD1 4.19Å; L170-L172 HydrophobicContact CB-CG 4.13Å; L170-L172 PolarHBondContact O-N 3.3Å |
| 171 | G | 98.1 | Very high | 98.3 | Very high | 67 Ų | 67 | 58.6 Ų | 58.6 | 69% | 0.691 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 35.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A167 Q168 | A167-G171 PolarHBondContact O-N 3.08Å; Q168-G171 PolarHBondContact O-N 2.95Å |
| 172 | L | 97.9 | Very high | 98.3 | Very high | 19 Ų | 19 | 58.2 Ų | 58.2 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | trans | -111.7 | 161.5 | 179.5 | -65.3 | -179.3 | 0 | 0 | 0 | 110.9 | F140 Q144 L148 A167 L170 V177 | F140-L172 HydrophobicContact CD1-CD1 4.31Å; F140-L172 HydrophobicContact CD1-CD2 3.8Å; F140-L172 HydrophobicContact CE1-CD1 4.28Å; F140-L172 HydrophobicContact CE1-CD2 3.81Å; Q144-L172 HydrophobicContact CB-CD1 4.5Å; L148-L172 HydrophobicContact CD1-CD1 4.01Å; L148-L172 HydrophobicContact CD2-CD1 4.48Å; A167-L172 CarbonylContact C-O 3.5Å; A167-L172 VanDerWaalsContact CB-O 3.32Å; A167-L172 WeakPolarHBondContact CB-O 3.16Å; A167-L172 PolarHBondContact O-N 2.93Å; L170-L172 VanDerWaalsContact C-N 3.3Å; L170-L172 HydrophobicContact CB-CD1 4.19Å; L170-L172 HydrophobicContact CB-CG 4.13Å; L170-L172 PolarHBondContact O-N 3.3Å; L172-V177 HydrophobicContact CB-CG2 4.07Å; L172-V177 HydrophobicContact CD1-CG2 4.38Å | ||
| 173 | T | 98.3 | Very high | 98.2 | Very high | 77 Ų | 77 | 61.1 Ų | 61.1 | 47% | 0.472 | 33% | 0.331 | S | S | . | . | trans | -81.6 | 151.5 | 169.5 | 63.6 | 0 | 0 | 0 | 0 | 110.9 | L175 Q176 V177 | T173-L175 PolarHBondContact O-N 3.24Å; T173-L175 VanDerWaalsContact O-N 3.14Å; T173-Q176 WeakPolarHBondContact O-CB 3.38Å; T173-Q176 PolarHBondContact O-N 3.5Å; T173-Q176 WeakPolarHBondContact OG1-CB 3.3Å; T173-Q176 VanDerWaalsContact OG1-CD 3.28Å; T173-Q176 VanDerWaalsContact OG1-CG 3.23Å; T173-Q176 WeakPolarHBondContact OG1-CG 3.38Å; T173-Q176 PolarHBondContact OG1-N 2.89Å; T173-Q176 PolarHBondContact OG1-OE1 3.41Å; T173-V177 PolarHBondContact O-N 3.08Å; T173-V177 VanDerWaalsContact O-N 3.08Å | ||
| 174 | Q | 98.2 | Very high | 98.2 | Very high | 89 Ų | 89 | 61 Ų | 61 | 42% | 0.416 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -53.1 | -36.4 | 173.2 | -66.9 | 178.1 | 60.1 | 0 | 0 | 112.5 | R163 L164 A167 V177 K178 | R163-Q174 WeakPolarHBondContact CD-O 3.42Å; L164-Q174 HydrophobicContact CD2-CG 3.73Å; L164-Q174 HydrophobicContact CG-CG 4.39Å; A167-Q174 HydrophobicContact CB-CG 4.46Å; Q174-V177 PolarHBondContact O-N 2.96Å; Q174-K178 VanDerWaalsContact O-CB 3.28Å; Q174-K178 WeakPolarHBondContact O-CB 3.37Å; Q174-K178 PolarHBondContact O-N 3.43Å |
| 175 | L | 97.8 | Very high | 98.2 | Very high | 115 Ų | 115 | 60.9 Ų | 60.9 | 60% | 0.602 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65.8 | -43.7 | 178 | 179.5 | 60.3 | 0 | 0 | 0 | 111.4 | T173 K178 T179 | T173-L175 PolarHBondContact O-N 3.24Å; T173-L175 VanDerWaalsContact O-N 3.14Å; L175-K178 WeakPolarHBondContact O-CB 3.38Å; L175-K178 PolarHBondContact O-N 2.94Å; L175-T179 WeakPolarHBondContact O-CB 3.33Å; L175-T179 PolarHBondContact O-N 3.49Å; L175-T179 PolarHBondContact O-OG1 3.49Å |
| 176 | Q | 97.9 | Very high | 98.2 | Very high | 46 Ų | 46 | 62.4 Ų | 62.4 | 22% | 0.215 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 176.7 | -75.7 | 164.2 | -42.9 | 0 | 0 | 111.4 | F140 T173 K178 T179 W180 | F140-Q176 HydrophobicContact CE1-CB 4.12Å; F140-Q176 HydrophobicContact CE1-CG 4.26Å; F140-Q176 HydrophobicContact CZ-CB 4.1Å; F140-Q176 HydrophobicContact CZ-CG 4.37Å; T173-Q176 WeakPolarHBondContact O-CB 3.38Å; T173-Q176 PolarHBondContact O-N 3.5Å; T173-Q176 WeakPolarHBondContact OG1-CB 3.3Å; T173-Q176 VanDerWaalsContact OG1-CD 3.28Å; T173-Q176 VanDerWaalsContact OG1-CG 3.23Å; T173-Q176 WeakPolarHBondContact OG1-CG 3.38Å; T173-Q176 PolarHBondContact OG1-N 2.89Å; T173-Q176 PolarHBondContact OG1-OE1 3.41Å; Q176-K178 PolarHBondContact O-N 3.33Å; Q176-T179 PolarHBondContact O-N 3.17Å; Q176-W180 WeakPolarHBondContact O-CB 3.37Å; Q176-W180 PolarHBondContact O-N 3.46Å |
| 177 | V | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 175.3 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | L148 L158 R163 L166 A167 L172 T173 Q174 T179 W180 Y181 | L148-V177 HydrophobicContact CD2-CG1 4.28Å; L148-V177 HydrophobicContact CD2-CG2 4.4Å; L158-V177 HydrophobicContact CD1-CG1 3.96Å; R163-V177 HydrophobicContact CG-CB 4.03Å; R163-V177 HydrophobicContact CG-CG1 3.82Å; L166-V177 HydrophobicContact CD2-CG1 3.95Å; A167-V177 HydrophobicContact CB-CG2 3.95Å; L172-V177 HydrophobicContact CB-CG2 4.07Å; L172-V177 HydrophobicContact CD1-CG2 4.38Å; T173-V177 PolarHBondContact O-N 3.08Å; T173-V177 VanDerWaalsContact O-N 3.08Å; Q174-V177 PolarHBondContact O-N 2.96Å; V177-T179 PolarHBondContact O-N 3.39Å; V177-W180 PolarHBondContact O-N 2.98Å; V177-Y181 HydrophobicContact CG1-CD2 3.87Å; V177-Y181 HydrophobicContact CG1-CE2 4.06Å; V177-Y181 WeakPolarHBondContact O-CB 3.27Å; V177-Y181 WeakPolarHBondContact O-CD2 3.4Å; V177-Y181 PolarHBondContact O-N 3.4Å |
| 178 | K | 97.9 | Very high | 97.9 | Very high | 91 Ų | 91 | 72.3 Ų | 72.3 | 40% | 0.396 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.7 | -49.2 | 176.8 | 179.9 | -176.1 | 178.1 | -179.2 | 0 | 111.8 | Q174 L175 Q176 Y181 Q182 | Q174-K178 VanDerWaalsContact O-CB 3.28Å; Q174-K178 WeakPolarHBondContact O-CB 3.37Å; Q174-K178 PolarHBondContact O-N 3.43Å; L175-K178 WeakPolarHBondContact O-CB 3.38Å; L175-K178 PolarHBondContact O-N 2.94Å; Q176-K178 PolarHBondContact O-N 3.33Å; K178-Y181 PolarHBondContact O-N 2.98Å; K178-Q182 WeakPolarHBondContact O-CG 3.46Å; K178-Q182 PolarHBondContact O-N 3Å |
| 179 | T | 98.2 | Very high | 97.7 | Very high | 58 Ų | 58 | 70.7 Ų | 70.7 | 36% | 0.356 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 179.9 | -63.9 | 0 | 0 | 0 | 0 | 111.3 | L175 Q176 V177 Q182 N183 | L175-T179 WeakPolarHBondContact O-CB 3.33Å; L175-T179 PolarHBondContact O-N 3.49Å; L175-T179 PolarHBondContact O-OG1 3.49Å; Q176-T179 PolarHBondContact O-N 3.17Å; V177-T179 PolarHBondContact O-N 3.39Å; T179-Q182 PolarHBondContact O-N 3.22Å; T179-N183 VanDerWaalsContact O-CG 3.31Å; T179-N183 PolarHBondContact O-N 3.36Å; T179-N183 PolarHBondContact O-ND2 3.36Å |
| 180 | W | 98.3 | Very high | 97.5 | Very high | 33 Ų | 33 | 73.7 Ų | 73.7 | 13% | 0.125 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 176.2 | -170.8 | 100.3 | 0 | 0 | 0 | 111.2 | F140 L148 F152 Q176 V177 Q182 N183 R184 | F140-W180 AromaticContact CD2-CD1 3.89Å; F140-W180 HydrophobicContact CE2-CB 4.47Å; F140-W180 AromaticContact CE2-CD1 3.71Å; F140-W180 HydrophobicContact CE2-CG 4.47Å; L148-W180 HydrophobicContact CB-CD2 3.95Å; L148-W180 HydrophobicContact CB-CE3 3.92Å; L148-W180 HydrophobicContact CB-CH2 3.7Å; L148-W180 HydrophobicContact CB-CZ2 3.69Å; L148-W180 HydrophobicContact CB-CZ3 3.81Å; L148-W180 HydrophobicContact CD1-CB 4.46Å; L148-W180 HydrophobicContact CD1-CD2 3.84Å; L148-W180 HydrophobicContact CD1-CE3 4.48Å; L148-W180 HydrophobicContact CD1-CG 3.79Å; L148-W180 HydrophobicContact CD2-CD2 4.33Å; L148-W180 HydrophobicContact CD2-CE3 4.22Å; L148-W180 HydrophobicContact CG-CD2 4.26Å; L148-W180 HydrophobicContact CG-CE3 4.43Å; F152-W180 HydrophobicContact CB-CH2 4.23Å; F152-W180 HydrophobicContact CB-CZ3 4Å; F152-W180 HydrophobicContact CD2-CZ3 4.4Å; F152-W180 HydrophobicContact CG-CZ3 4.29Å; Q176-W180 WeakPolarHBondContact O-CB 3.37Å; Q176-W180 PolarHBondContact O-N 3.46Å; V177-W180 PolarHBondContact O-N 2.98Å; W180-Q182 VanDerWaalsContact C-N 3.33Å; W180-Q182 PolarHBondContact O-N 2.95Å; W180-N183 PolarHBondContact O-N 3.15Å; W180-R184 HydrophobicContact CD2-CB 4.44Å; W180-R184 HydrophobicContact CE3-CB 3.92Å; W180-R184 HydrophobicContact CE3-CG 4.42Å; W180-R184 HydrophobicContact CH2-CB 4.04Å; W180-R184 HydrophobicContact CH2-CG 3.67Å; W180-R184 HydrophobicContact CZ2-CG 4.39Å; W180-R184 HydrophobicContact CZ3-CB 3.69Å; W180-R184 HydrophobicContact CZ3-CG 3.69Å; W180-R184 VanDerWaalsContact O-CB 3.29Å; W180-R184 WeakPolarHBondContact O-CB 3.29Å; W180-R184 PolarHBondContact O-N 2.98Å |
| 181 | Y | 98.6 | Very high | 97.1 | Very high | 9 Ų | 9 | 76.9 Ų | 76.9 | 4% | 0.035 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.5 | -35.5 | 176.9 | -95.8 | -102.3 | 0 | 0 | 0 | 113.1 | L148 K151 F152 Q155 L158 L166 V177 K178 R185 | L148-Y181 HydrophobicContact CD2-CE2 4.28Å; K151-Y181 WeakPolarHBondContact CB-OH 3.4Å; K151-Y181 WeakPolarHBondContact CG-OH 3.49Å; F152-Y181 HydrophobicContact CB-CE1 4.37Å; F152-Y181 AromaticContact CD2-CD1 3.87Å; F152-Y181 HydrophobicContact CD2-CD1 3.87Å; F152-Y181 AromaticContact CD2-CE1 3.65Å; F152-Y181 HydrophobicContact CD2-CE1 3.65Å; F152-Y181 HydrophobicContact CE2-CD1 4.38Å; F152-Y181 HydrophobicContact CE2-CE1 4.5Å; F152-Y181 PolarHBondContact N-OH 2.9Å; Q155-Y181 WeakPolarHBondContact O-CE1 3.37Å; L158-Y181 HydrophobicContact CD1-CD1 4.39Å; L158-Y181 HydrophobicContact CD1-CD2 3.98Å; L158-Y181 HydrophobicContact CD1-CE1 3.9Å; L158-Y181 HydrophobicContact CD1-CE2 3.44Å; L158-Y181 VanDerWaalsContact CD1-CE2 3.44Å; L158-Y181 HydrophobicContact CD1-CG 4.43Å; L158-Y181 HydrophobicContact CD2-CE1 4Å; L158-Y181 HydrophobicContact CG-CD1 4.04Å; L158-Y181 HydrophobicContact CG-CD2 4.5Å; L158-Y181 HydrophobicContact CG-CE1 3.48Å; L158-Y181 VanDerWaalsContact CG-CE1 3.48Å; L158-Y181 HydrophobicContact CG-CE2 4.02Å; L158-Y181 VanDerWaalsContact CG-CZ 3.47Å; L166-Y181 HydrophobicContact CD2-CE2 3.82Å; V177-Y181 HydrophobicContact CG1-CD2 3.87Å; V177-Y181 HydrophobicContact CG1-CE2 4.06Å; V177-Y181 WeakPolarHBondContact O-CB 3.27Å; V177-Y181 WeakPolarHBondContact O-CD2 3.4Å; V177-Y181 PolarHBondContact O-N 3.4Å; K178-Y181 PolarHBondContact O-N 2.98Å; Y181-R185 WeakPolarHBondContact O-CB 3.46Å; Y181-R185 VanDerWaalsContact O-CG 3.3Å; Y181-R185 WeakPolarHBondContact O-CG 3.3Å; Y181-R185 PolarHBondContact O-N 2.98Å; Y181-R185 PolarHBondContact O-NE 3.37Å |
| 182 | Q | 98.5 | Very high | 96.7 | Very high | 79 Ų | 79 | 77.9 Ų | 77.9 | 37% | 0.369 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.5 | -52.1 | 172.2 | -75.4 | 174.7 | 1.7 | 0 | 0 | 111 | K178 T179 W180 R184 R185 M186 | K178-Q182 WeakPolarHBondContact O-CG 3.46Å; K178-Q182 PolarHBondContact O-N 3Å; T179-Q182 PolarHBondContact O-N 3.22Å; W180-Q182 VanDerWaalsContact C-N 3.33Å; W180-Q182 PolarHBondContact O-N 2.95Å; Q182-R184 VanDerWaalsContact C-N 3.31Å; Q182-R184 PolarHBondContact O-N 2.86Å; Q182-R185 PolarHBondContact O-N 3.14Å; Q182-M186 WeakPolarHBondContact O-CG 3.41Å; Q182-M186 PolarHBondContact O-N 3.27Å |
| 183 | N | 97.9 | Very high | 95.9 | Very high | 105 Ų | 105 | 84.1 Ų | 84.1 | 56% | 0.561 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -60.7 | -42.1 | 178.8 | -68.7 | -19.9 | 0 | 0 | 0 | 111.7 | T179 W180 M186 K187 | T179-N183 VanDerWaalsContact O-CG 3.31Å; T179-N183 PolarHBondContact O-N 3.36Å; T179-N183 PolarHBondContact O-ND2 3.36Å; W180-N183 PolarHBondContact O-N 3.15Å; N183-M186 PolarHBondContact O-N 3.04Å; N183-K187 PolarHBondContact O-N 3.38Å |
| 184 | R | 98.1 | Very high | 95 | Very high | 50 Ų | 50 | 88.6 Ų | 88.6 | 19% | 0.189 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 179.9 | -171.8 | 66.3 | -176.9 | 119.9 | -6.6 | 111.8 | E149 F152 W180 Q182 M186 K187 W188 | E149-R184 VanDerWaalsContact CD-NH2 3.34Å; E149-R184 IonicContact OE1-CZ 3.35Å; E149-R184 IonicContact OE1-NE 2.71Å; E149-R184 PolarHBondContact OE1-NE 3.34Å; E149-R184 IonicContact OE1-NH2 3.35Å; E149-R184 PolarHBondContact OE1-NH2 2.97Å; E149-R184 IonicContact OE2-CZ 3.29Å; E149-R184 IonicContact OE2-NE 2.8Å; E149-R184 PolarHBondContact OE2-NE 3.3Å; E149-R184 IonicContact OE2-NH2 3.57Å; E149-R184 PolarHBondContact OE2-NH2 3.41Å; F152-R184 HydrophobicContact CD1-CG 3.63Å; F152-R184 HydrophobicContact CD2-CB 4.38Å; F152-R184 HydrophobicContact CD2-CG 3.8Å; F152-R184 HydrophobicContact CE1-CG 3.56Å; F152-R184 HydrophobicContact CE2-CB 4.21Å; F152-R184 HydrophobicContact CE2-CG 3.75Å; F152-R184 HydrophobicContact CG-CG 3.76Å; F152-R184 HydrophobicContact CZ-CB 4.4Å; F152-R184 HydrophobicContact CZ-CG 3.62Å; W180-R184 HydrophobicContact CD2-CB 4.44Å; W180-R184 HydrophobicContact CE3-CB 3.92Å; W180-R184 HydrophobicContact CE3-CG 4.42Å; W180-R184 HydrophobicContact CH2-CB 4.04Å; W180-R184 HydrophobicContact CH2-CG 3.67Å; W180-R184 HydrophobicContact CZ2-CG 4.39Å; W180-R184 HydrophobicContact CZ3-CB 3.69Å; W180-R184 HydrophobicContact CZ3-CG 3.69Å; W180-R184 VanDerWaalsContact O-CB 3.29Å; W180-R184 WeakPolarHBondContact O-CB 3.29Å; W180-R184 PolarHBondContact O-N 2.98Å; Q182-R184 VanDerWaalsContact C-N 3.31Å; Q182-R184 PolarHBondContact O-N 2.86Å; R184-M186 PolarHBondContact O-N 3Å; R184-K187 PolarHBondContact O-N 3.12Å; R184-W188 WeakPolarHBondContact O-CB 3.42Å; R184-W188 PolarHBondContact O-N 3.32Å |
| 185 | R | 98.1 | Very high | 93.2 | Very high | 68 Ų | 68 | 87.2 Ų | 87.2 | 26% | 0.257 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 174.7 | -75.1 | -177.4 | -63.6 | 174.5 | 6.7 | 112.6 | F152 K156 Y181 Q182 W188 K189 | F152-R185 HydrophobicContact CE2-CG 3.81Å; F152-R185 HydrophobicContact CZ-CG 4.22Å; K156-R185 WeakPolarHBondContact O-CD 3.47Å; Y181-R185 WeakPolarHBondContact O-CB 3.46Å; Y181-R185 VanDerWaalsContact O-CG 3.3Å; Y181-R185 WeakPolarHBondContact O-CG 3.3Å; Y181-R185 PolarHBondContact O-N 2.98Å; Y181-R185 PolarHBondContact O-NE 3.37Å; Q182-R185 PolarHBondContact O-N 3.14Å; R185-W188 PolarHBondContact O-N 3.17Å; R185-K189 WeakPolarHBondContact O-CB 3.41Å; R185-K189 PolarHBondContact O-N 2.84Å |
| 186 | M | 97.7 | Very high | 91.4 | Very high | 118 Ų | 118 | 85.3 Ų | 85.3 | 58% | 0.581 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63 | -44.5 | 175.7 | -67.3 | -57.7 | 176.8 | 0 | 0 | 111.6 | Q182 N183 R184 K190 | Q182-M186 WeakPolarHBondContact O-CG 3.41Å; Q182-M186 PolarHBondContact O-N 3.27Å; N183-M186 PolarHBondContact O-N 3.04Å; R184-M186 PolarHBondContact O-N 3Å; M186-K190 WeakPolarHBondContact O-CB 3.28Å; M186-K190 PolarHBondContact O-N 3.46Å |
| 187 | K | 95.9 | Very high | 89.1 | Confident | 128 Ų | 128 | 91.1 Ų | 91.1 | 56% | 0.557 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.9 | -47.6 | 174.4 | -175.3 | 177.7 | 177.5 | -175.9 | 0 | 111.1 | N183 R184 K190 M191 | N183-K187 PolarHBondContact O-N 3.38Å; R184-K187 PolarHBondContact O-N 3.12Å; K187-K190 PolarHBondContact O-N 2.92Å; K187-M191 WeakPolarHBondContact O-CG 3.39Å; K187-M191 PolarHBondContact O-N 3.06Å |
| 188 | W | 95.5 | Very high | 86.7 | Confident | 99 Ų | 99 | 99 Ų | 99 | 38% | 0.375 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.6 | -49.6 | 178.4 | 175 | 64.7 | 0 | 0 | 0 | 111.8 | F152 R184 R185 K190 M191 V192 | F152-W188 HydrophobicContact CE1-CB 4.35Å; F152-W188 HydrophobicContact CE1-CG 4.46Å; F152-W188 HydrophobicContact CZ-CB 4.16Å; F152-W188 HydrophobicContact CZ-CG 4.36Å; R184-W188 WeakPolarHBondContact O-CB 3.42Å; R184-W188 PolarHBondContact O-N 3.32Å; R185-W188 PolarHBondContact O-N 3.17Å; W188-K190 VanDerWaalsContact C-N 3.3Å; W188-K190 PolarHBondContact O-N 3.48Å; W188-M191 PolarHBondContact O-N 3Å; W188-V192 HydrophobicContact CD2-CG2 4.28Å; W188-V192 HydrophobicContact CG-CG2 4.38Å; W188-V192 HydrophobicContact CZ2-CG2 4.18Å; W188-V192 WeakPolarHBondContact O-CG2 3.32Å; W188-V192 PolarHBondContact O-N 3.33Å |
| 189 | K | 95.2 | Very high | 84.2 | Confident | 117 Ų | 117 | 98.8 Ų | 98.8 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -55.4 | -45.5 | 174.8 | -175.5 | 179.7 | 66.3 | 169.7 | 0 | 111.3 | R185 M191 V192 L193 | R185-K189 WeakPolarHBondContact O-CB 3.41Å; R185-K189 PolarHBondContact O-N 2.84Å; K189-M191 VanDerWaalsContact C-N 3.29Å; K189-M191 PolarHBondContact O-N 2.98Å; K189-V192 PolarHBondContact O-N 3.23Å; K189-L193 VanDerWaalsContact O-CB 3.3Å; K189-L193 WeakPolarHBondContact O-CB 3.41Å; K189-L193 PolarHBondContact O-N 2.72Å |
| 190 | K | 92.9 | Very high | 82.3 | Confident | 148 Ų | 148 | 102.2 Ų | 102.2 | 64% | 0.643 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.6 | -36.3 | 177.6 | -174.2 | 176.8 | 179.3 | 178 | 0 | 112.4 | M186 K187 W188 K194 | M186-K190 WeakPolarHBondContact O-CB 3.28Å; M186-K190 PolarHBondContact O-N 3.46Å; K187-K190 PolarHBondContact O-N 2.92Å; W188-K190 VanDerWaalsContact C-N 3.3Å; W188-K190 PolarHBondContact O-N 3.48Å; K190-K194 VanDerWaalsContact O-CB 3.27Å; K190-K194 WeakPolarHBondContact O-CB 3.48Å; K190-K194 PolarHBondContact O-N 3.38Å |
| 191 | M | 90.3 | Very high | 80.2 | Confident | 98 Ų | 98 | 106.7 Ų | 106.7 | 48% | 0.483 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -74.1 | -39.5 | 177.4 | -65.7 | -163.5 | 80.6 | 0 | 0 | 112.2 | K187 W188 K189 | K187-M191 WeakPolarHBondContact O-CG 3.39Å; K187-M191 PolarHBondContact O-N 3.06Å; W188-M191 PolarHBondContact O-N 3Å; K189-M191 VanDerWaalsContact C-N 3.29Å; K189-M191 PolarHBondContact O-N 2.98Å |
| 192 | V | 88.3 | Confident | 77.5 | Confident | 87 Ų | 87 | 115.9 Ų | 115.9 | 53% | 0.527 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.5 | -45.5 | 178.4 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | W188 K189 K194 G195 | W188-V192 HydrophobicContact CD2-CG2 4.28Å; W188-V192 HydrophobicContact CG-CG2 4.38Å; W188-V192 HydrophobicContact CZ2-CG2 4.18Å; W188-V192 WeakPolarHBondContact O-CG2 3.32Å; W188-V192 PolarHBondContact O-N 3.33Å; K189-V192 PolarHBondContact O-N 3.23Å; V192-K194 PolarHBondContact O-N 3.12Å; V192-G195 PolarHBondContact O-N 3.04Å |
| 193 | L | 83.1 | Confident | 75.3 | Confident | 151 Ų | 151 | 118.1 Ų | 118.1 | 79% | 0.791 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.9 | -15.8 | -176.3 | -139.3 | 72.6 | 0 | 0 | 0 | 113.6 | K189 | K189-L193 VanDerWaalsContact O-CB 3.3Å; K189-L193 WeakPolarHBondContact O-CB 3.41Å; K189-L193 PolarHBondContact O-N 2.72Å |
| 194 | K | 77.9 | Confident | 72.8 | Confident | 170 Ų | 170 | 123 Ų | 123 | 74% | 0.739 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 14.1 | -176.5 | -142 | 172.2 | -178.8 | -163.8 | 0 | 113.2 | K190 V192 | K190-K194 VanDerWaalsContact O-CB 3.27Å; K190-K194 WeakPolarHBondContact O-CB 3.48Å; K190-K194 PolarHBondContact O-N 3.38Å; V192-K194 PolarHBondContact O-N 3.12Å |
| 195 | G | 60.6 | Low | 70.2 | Confident | 61 Ų | 61 | 123.9 Ų | 123.9 | 63% | 0.629 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.7 | 69.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V192 Q197 | V192-G195 PolarHBondContact O-N 3.04Å; G195-Q197 PolarHBondContact O-N 2.82Å |
| 196 | G | 60.7 | Low | 67.9 | Low | 74 Ų | 74 | 132.1 Ų | 132.1 | 76% | 0.763 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 35.6 | 54.6 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 197 | Q | 50.2 | Low | 65.7 | Low | 168 Ų | 168 | 132.6 Ų | 132.6 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | trans | -140.4 | 121.7 | 149.7 | -80 | -156 | -4.5 | 0 | 0 | 107.7 | G195 | G195-Q197 PolarHBondContact O-N 2.82Š| ||
| 198 | E | 47.9 | Very low | 63.3 | Low | 166 Ų | 166 | 135.7 Ų | 135.7 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | -170.1 | 98.3 | 140 | -69.5 | -41.8 | 153.8 | 0 | 0 | 105.7 | ||||
| 199 | A | 45.5 | Very low | 60.9 | Low | 88 Ų | 88 | 140.6 Ų | 140.6 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -66.5 | 138.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | T201 | A199-T201 PolarHBondContact O-N 3.2Š| ||
| 200 | P | 57.8 | Low | 58.9 | Low | 130 Ų | 130 | 141.4 Ų | 141.4 | 84% | 0.844 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -82 | 81.1 | -174.3 | 32.2 | -35.4 | 0 | 0 | 0 | 112 | ||
| 201 | T | 53.1 | Low | 57 | Low | 126 Ų | 126 | 139.7 Ų | 139.7 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -143.2 | 121.2 | 158.1 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | A199 | A199-T201 PolarHBondContact O-N 3.2Š| ||
| 202 | K | 42.4 | Very low | 55.2 | Low | 203 Ų | 203 | 142.7 Ų | 142.7 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | 86.4 | 137.9 | 160.3 | -110.8 | 152.1 | 178.8 | 173.8 | 0 | 119.6 | K204 | K202-K204 PolarHBondContact O-N 3.5Š| ||
| 203 | P | 52.1 | Low | 53.5 | Low | 126 Ų | 126 | 142.1 Ų | 142.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -81.1 | 112.8 | -179.7 | 32.5 | -27.7 | 0 | 0 | 0 | 109.2 | ||||
| 204 | K | 44.8 | Very low | 52.5 | Low | 208 Ų | 208 | 139.3 Ų | 139.3 | 90% | 0.904 | 77% | 0.77 | S | S | * | * | trans | -110.2 | 123.3 | 167.4 | -150 | 77.9 | 171.2 | -172.9 | 0 | 108.9 | K202 | K202-K204 PolarHBondContact O-N 3.5Š| ||
| 205 | G | 45.2 | Very low | 51.7 | Low | 68 Ų | 68 | 135.6 Ų | 135.6 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | -64.5 | 165.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 206 | R | 48.3 | Very low | 51.6 | Low | 241 Ų | 241 | 139.9 Ų | 139.9 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | 3.4 | 115.2 | 153.3 | -166.1 | 178.9 | -171.3 | -166.3 | 2.8 | 115.3 | K208 | R206-K208 PolarHBondContact O-N 3.41Š| ||
| 207 | P | 51.6 | Low | 51.6 | Low | 127 Ų | 127 | 142.2 Ų | 142.2 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -64.1 | 127 | 174.7 | 22.6 | -27.7 | 0 | 0 | 0 | 110.8 | ||||
| 208 | K | 46.1 | Very low | 52.1 | Low | 194 Ų | 194 | 138.9 Ų | 138.9 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | trans | -75.1 | 133.1 | 166.8 | -113.7 | 174.6 | 174.4 | 179.9 | 0 | 108.2 | R206 N210 | R206-K208 PolarHBondContact O-N 3.41Å; K208-N210 PolarHBondContact O-N 2.94Å | ||
| 209 | K | 45.2 | Very low | 52.9 | Low | 202 Ų | 202 | 138 Ų | 138 | 88% | 0.878 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -84.1 | 71 | -174 | 47.6 | 166.1 | -176.3 | 179.2 | 0 | 111.6 | ||
| 210 | N | 53.3 | Low | 53.8 | Low | 133 Ų | 133 | 136.6 Ų | 136.6 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | -168.9 | 83.2 | 169.6 | 10.2 | 11 | 0 | 0 | 0 | 109.6 | K208 | K208-N210 PolarHBondContact O-N 2.94Š| ||
| 211 | S | 51.8 | Low | 54.1 | Low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 72% | 0.724 | S | S | * | * | trans | -159.8 | 68.4 | 156.7 | -169.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 212 | I | 53.4 | Low | 54.7 | Low | 161 Ų | 161 | 137.8 Ų | 137.8 | 83% | 0.826 | 72% | 0.716 | S | S | * | * | trans | -105.6 | 111.6 | 156.5 | -59.4 | 175.4 | 0 | 0 | 0 | 102.5 | T214 | I212-T214 PolarHBondContact O-N 2.99Š| ||
| 213 | P | 52.4 | Low | 55.7 | Low | 74 Ų | 74 | 135.8 Ų | 135.8 | 48% | 0.481 | 71% | 0.708 | S | S | . | * | trans | -57.9 | 132.6 | 173.3 | -19.8 | 31.9 | 0 | 0 | 0 | 108.7 | ||||
| 214 | T | 63.1 | Low | 56 | Low | 92 Ų | 92 | 136.5 Ų | 136.5 | 56% | 0.564 | 70% | 0.702 | S | S | * | * | trans | -63.9 | 142.8 | 177.7 | -23.7 | 0 | 0 | 0 | 0 | 108.3 | I212 E216 E217 | I212-T214 PolarHBondContact O-N 2.99Å; T214-E216 PolarHBondContact O-N 2.8Å; T214-E217 WeakPolarHBondContact O-CB 3.32Å; T214-E217 PolarHBondContact O-N 3.25Å | ||
| 215 | S | 59.3 | Low | 56.8 | Low | 93 Ų | 93 | 131.6 Ų | 131.6 | 65% | 0.65 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -54.5 | -23.8 | -175.4 | 47.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 216 | E | 60.3 | Low | 57.5 | Low | 151 Ų | 151 | 132 Ų | 132 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -70.6 | -26.2 | 175.9 | -71.5 | 179.8 | 136.2 | 0 | 0 | 113.8 | T214 A220 | T214-E216 PolarHBondContact O-N 2.8Å; E216-A220 PolarHBondContact O-N 3.31Å |
| 217 | E | 60.1 | Low | 58 | Low | 122 Ų | 122 | 127.7 Ų | 127.7 | 57% | 0.57 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -77.7 | -32 | -177.7 | -144.2 | 168.5 | 179.3 | 0 | 0 | 111.1 | T214 A220 E221 | T214-E217 WeakPolarHBondContact O-CB 3.32Å; T214-E217 PolarHBondContact O-N 3.25Å; E217-A220 PolarHBondContact O-N 3.07Å; E217-E221 PolarHBondContact O-N 3.43Å |
| 218 | I | 60.2 | Low | 58.3 | Low | 98 Ų | 98 | 125.3 Ų | 125.3 | 50% | 0.503 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -69.1 | -39.1 | 177.4 | -49.1 | 172.1 | 0 | 0 | 0 | 110.4 | A220 E221 E222 | I218-A220 VanDerWaalsContact C-N 3.35Å; I218-E221 PolarHBondContact O-N 3.14Å; I218-E222 PolarHBondContact O-N 3.33Å |
| 219 | E | 64.4 | Low | 58.7 | Low | 149 Ų | 149 | 123.6 Ų | 123.6 | 70% | 0.696 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -72.4 | -29.9 | 178.8 | -134 | 174.2 | -171.1 | 0 | 0 | 112 | K223 | E219-K223 PolarHBondContact O-N 3.42Å |
| 220 | A | 64.3 | Low | 58.9 | Low | 57 Ų | 57 | 117.4 Ų | 117.4 | 47% | 0.471 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -71.1 | -38.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | E216 E217 I218 M224 | E216-A220 PolarHBondContact O-N 3.31Å; E217-A220 PolarHBondContact O-N 3.07Å; I218-A220 VanDerWaalsContact C-N 3.35Å; A220-M224 WeakPolarHBondContact O-CG 3.46Å; A220-M224 PolarHBondContact O-N 2.79Å |
| 221 | E | 64.8 | Low | 58.7 | Low | 149 Ų | 149 | 119.7 Ų | 119.7 | 70% | 0.696 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.6 | -38.7 | 175.2 | -88.5 | -179.4 | 118.8 | 0 | 0 | 112.6 | E217 I218 K223 M224 N225 | E217-E221 PolarHBondContact O-N 3.43Å; I218-E221 PolarHBondContact O-N 3.14Å; E221-K223 VanDerWaalsContact C-N 3.31Å; E221-K223 PolarHBondContact O-N 3.3Å; E221-M224 PolarHBondContact O-N 3.23Å; E221-N225 PolarHBondContact O-N 3.29Å; E221-N225 VanDerWaalsContact O-N 3.14Å |
| 222 | E | 65.4 | Low | 58.5 | Low | 132 Ų | 132 | 123.6 Ų | 123.6 | 62% | 0.617 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66.4 | -34.7 | 179 | -165.2 | 175.3 | 141.3 | 0 | 0 | 112.1 | I218 N225 S226 | I218-E222 PolarHBondContact O-N 3.33Å; E222-N225 PolarHBondContact O-N 3.46Å; E222-S226 PolarHBondContact O-N 2.99Å; E222-S226 VanDerWaalsContact O-N 3.07Å; E222-S226 PolarHBondContact O-OG 3.34Å |
| 223 | K | 63.7 | Low | 58.2 | Low | 162 Ų | 162 | 127 Ų | 127 | 70% | 0.704 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -70.4 | -34.2 | 177.1 | -163.1 | 173.7 | -179.6 | -170.7 | 0 | 112.9 | E219 E221 | E219-K223 PolarHBondContact O-N 3.42Å; E221-K223 VanDerWaalsContact C-N 3.31Å; E221-K223 PolarHBondContact O-N 3.3Å |
| 224 | M | 58.3 | Low | 57.8 | Low | 140 Ų | 140 | 131.3 Ų | 131.3 | 69% | 0.69 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -71.6 | -35 | 174.7 | -67 | -128.1 | 72.8 | 0 | 0 | 112.3 | A220 E221 | A220-M224 WeakPolarHBondContact O-CG 3.46Å; A220-M224 PolarHBondContact O-N 2.79Å; E221-M224 PolarHBondContact O-N 3.23Å |
| 225 | N | 61.4 | Low | 56.4 | Low | 105 Ų | 105 | 135.6 Ų | 135.6 | 56% | 0.561 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -71.4 | -37.9 | 178.3 | -166.4 | 7.5 | 0 | 0 | 0 | 112.3 | E221 E222 Q227 A228 | E221-N225 PolarHBondContact O-N 3.29Å; E221-N225 VanDerWaalsContact O-N 3.14Å; E222-N225 PolarHBondContact O-N 3.46Å; N225-Q227 VanDerWaalsContact C-N 3.25Å; N225-Q227 PolarHBondContact O-N 2.91Å; N225-A228 PolarHBondContact O-N 3.01Å |
| 226 | S | 60 | Low | 55.7 | Low | 77 Ų | 77 | 136.6 Ų | 136.6 | 54% | 0.538 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -65.3 | -27 | 177.6 | -56 | 0 | 0 | 0 | 0 | 113.3 | E222 | E222-S226 PolarHBondContact O-N 2.99Å; E222-S226 VanDerWaalsContact O-N 3.07Å; E222-S226 PolarHBondContact O-OG 3.34Å |
| 227 | Q | 58.7 | Low | 54.3 | Low | 150 Ų | 150 | 134.5 Ų | 134.5 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -80.1 | -20.9 | 179.6 | -162.9 | 169.7 | -4.1 | 0 | 0 | 112.8 | N225 | N225-Q227 VanDerWaalsContact C-N 3.25Å; N225-Q227 PolarHBondContact O-N 2.91Å |
| 228 | A | 57.9 | Low | 53.2 | Low | 77 Ų | 77 | 137.6 Ų | 137.6 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -81.5 | -21.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | N225 | N225-A228 PolarHBondContact O-N 3.01Å |
| 229 | Q | 54.2 | Low | 52 | Low | 158 Ų | 158 | 136.3 Ų | 136.3 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -87.7 | -5.4 | -178 | -70.6 | -174.4 | -10.7 | 0 | 0 | 114.6 | Q231 | Q229-Q231 PolarHBondContact O-N 3.33Š|
| 230 | G | 49 | Very low | 50.5 | Low | 73 Ų | 73 | 138.3 Ų | 138.3 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -82.7 | -0.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 231 | Q | 50.4 | Low | 49.5 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -116.9 | 4.1 | -168.2 | -133.1 | 174.4 | -33 | 0 | 0 | 116.1 | Q229 | Q229-Q231 PolarHBondContact O-N 3.33Š|
| 232 | E | 47.3 | Very low | 48.3 | Very low | 194 Ų | 194 | 144.1 Ų | 144.1 | 91% | 0.907 | 75% | 0.753 | S | S | * | * | trans | -113 | 77.1 | 171 | -102.7 | -165.5 | 97.7 | 0 | 0 | 111.3 | ||||
| 233 | R | 47.4 | Very low | 46.6 | Very low | 232 Ų | 232 | 145.2 Ų | 145.2 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | trans | -156.4 | 85 | 155.4 | -167.3 | 173.5 | -160.4 | -156.7 | 2.4 | 111.6 | ||||
| 234 | L | 44.2 | Very low | 45.1 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | trans | -159.2 | 113.9 | 149.4 | -75.4 | -175.4 | 0 | 0 | 0 | 108.7 | ||||
| 235 | E | 33.8 | Very low | 43.9 | Very low | 181 Ų | 181 | 144.7 Ų | 144.7 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -164.7 | 126.9 | 144.9 | -91.8 | -52.4 | 87.9 | 0 | 0 | 109.1 | ||||
| 236 | P | 43.2 | Very low | 42.7 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | trans | -120.3 | 135.8 | 163.3 | 35.5 | -21.5 | 0 | 0 | 0 | 112.3 | ||||
| 237 | S | 31.5 | Very low | 41.5 | Very low | 106 Ų | 106 | 149 Ų | 149 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -160.2 | 110.9 | 159.9 | -162.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 238 | Q | 36.7 | Very low | 40.5 | Very low | 187 Ų | 187 | 149.8 Ų | 149.8 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | 41.4 | 110.7 | 87 | -65.1 | -173.6 | -31.5 | 0 | 0 | 110.6 | |||||
| 239 | G | 34.8 | Very low | 40.1 | Very low | 72 Ų | 72 | 150.6 Ų | 150.6 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | cis | 99.4 | 95.6 | 43.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 240 | Q | 34.5 | Very low | 39.1 | Very low | 190 Ų | 190 | 151.1 Ų | 151.1 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -160.5 | 136.8 | 162.4 | -114.5 | 170.1 | 4.6 | 0 | 0 | 112.2 | ||||
| 241 | E | 43.3 | Very low | 38.3 | Very low | 165 Ų | 165 | 153.1 Ų | 153.1 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | trans | -87.5 | 171.2 | -174.5 | 55.8 | -128.1 | 87.6 | 0 | 0 | 114.5 | ||||
| 242 | E | 38.3 | Very low | 37.7 | Very low | 163 Ų | 163 | 152.6 Ų | 152.6 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | 70.5 | 113.9 | 155.6 | -86.1 | -115.8 | 101.9 | 0 | 0 | 120.7 | ||||
| 243 | L | 30.3 | Very low | 37.1 | Very low | 156 Ų | 156 | 150.2 Ų | 150.2 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | -175.9 | 128 | 100.3 | -167.6 | 75.3 | 0 | 0 | 0 | 111.2 | |||||
| 244 | C | 32.7 | Very low | 36.8 | Very low | 107 Ų | 107 | 144.8 Ų | 144.8 | 72% | 0.723 | 78% | 0.777 | S | S | * | * | trans | -87.6 | 150.9 | 173.1 | -74.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 245 | E | 32.2 | Very low | 37.1 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | -163.7 | 105.5 | 136.9 | -118.9 | 179.3 | 98.9 | 0 | 0 | 109.2 | ||||
| 246 | A | 37 | Very low | 37.8 | Very low | 84 Ų | 84 | 141.9 Ų | 141.9 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | 64 | 127.1 | 110.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 247 | Q | 33.5 | Very low | 37.8 | Very low | 188 Ų | 188 | 145.7 Ų | 145.7 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | cis | -171.4 | 137.2 | 38.9 | -167.4 | 143.1 | -30.5 | 0 | 0 | 110.5 | ||||
| 248 | E | 38.7 | Very low | 38.5 | Very low | 167 Ų | 167 | 148.4 Ų | 148.4 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | -76.2 | 179.8 | 162.9 | -111.1 | -113 | 110.2 | 0 | 0 | 110.2 | ||||
| 249 | P | 48.5 | Very low | 38.9 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 61% | 0.61 | 78% | 0.783 | S | S | * | * | cis | -146.1 | -179.2 | 8.1 | 33 | -8.3 | 0 | 0 | 0 | 118 | ||||
| 250 | K | 33.6 | Very low | 39.2 | Very low | 169 Ų | 169 | 149.1 Ų | 149.1 | 74% | 0.735 | 79% | 0.786 | S | S | * | * | trans | 99.6 | 107.5 | 131.6 | -103.1 | 176.9 | 167.8 | 168.8 | 0 | 123.1 | ||||
| 251 | T | 32.8 | Very low | 40.3 | Very low | 115 Ų | 115 | 145 Ų | 145 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | 49.7 | 123.6 | 120.5 | 64.7 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 252 | H | 36.8 | Very low | 40.8 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | 175.7 | 127.7 | 100.9 | 78.3 | -65.3 | 0 | 0 | 0 | 107.2 | |||||
| 253 | D | 35.3 | Very low | 41.3 | Very low | 144 Ų | 144 | 142.2 Ų | 142.2 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | 72.4 | 133 | 86.1 | -132.4 | -56.2 | 0 | 0 | 0 | 114.6 | |||||
| 254 | V | 41.3 | Very low | 42.9 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | trans | -75.7 | 160.3 | -164.4 | -163.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 255 | P | 51.3 | Low | 44 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | -150.6 | 141.4 | 97.4 | 27 | -4.6 | 0 | 0 | 0 | 117.5 | |||||
| 256 | L | 48 | Very low | 44.8 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | trans | 1.2 | 125.4 | 140.4 | -139 | 81.8 | 0 | 0 | 0 | 119 | ||||
| 257 | E | 42 | Very low | 45.2 | Very low | 194 Ų | 194 | 145.6 Ų | 145.6 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | trans | -151.6 | 141.2 | 144.2 | -154.7 | -175.5 | 127.2 | 0 | 0 | 112 | ||||
| 258 | M | 46.3 | Very low | 46.1 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | trans | -67 | 148.8 | -175.2 | -68 | 175.3 | 56.9 | 0 | 0 | 115 | ||||
| 259 | A | 45.6 | Very low | 46.8 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -155.9 | 115.7 | 145.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 260 | E | 42 | Very low | 46.9 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -65.4 | 176.1 | 153.6 | -136.4 | -176.9 | 87.3 | 0 | 0 | 109.9 | ||||
| 261 | P | 56.5 | Low | 47.7 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | cis | -136.6 | -152.8 | -1.1 | 44 | -22.3 | 0 | 0 | 0 | 111.3 | ||||
| 262 | P | 54 | Low | 48.4 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | cis | -133.7 | 172.4 | -6 | 37.8 | -16.6 | 0 | 0 | 0 | 117.5 | ||||
| 263 | D | 48.9 | Very low | 49.2 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | -39.3 | 146.5 | 170.1 | -111.5 | -53.9 | 0 | 0 | 0 | 117.7 | ||||
| 264 | P | 63.1 | Low | 50.7 | Low | 104 Ų | 104 | 142.8 Ų | 142.8 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 136.8 | 155.8 | 33.2 | -27.1 | 0 | 0 | 0 | 112 | ||
| 265 | P | 56.6 | Low | 52.1 | Low | 129 Ų | 129 | 142.4 Ų | 142.4 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 137.7 | 178.9 | 27.6 | -31.3 | 0 | 0 | 0 | 112.1 | ||
| 266 | Q | 48.9 | Very low | 53 | Low | 179 Ų | 179 | 142.1 Ų | 142.1 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 130.3 | 166 | -57 | -171.4 | 7.1 | 0 | 0 | 110 | ||
| 267 | E | 46.6 | Very low | 53.7 | Low | 190 Ų | 190 | 140 Ų | 140 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -111.1 | 127.4 | 158.3 | -107.9 | -163.6 | 128.2 | 0 | 0 | 110.2 | ||||
| 268 | L | 52.3 | Low | 54.3 | Low | 140 Ų | 140 | 139.3 Ų | 139.3 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 165.7 | -176 | -73.3 | 173.5 | 0 | 0 | 0 | 111.9 | ||
| 269 | P | 53.4 | Low | 55.3 | Low | 121 Ų | 121 | 140.7 Ų | 140.7 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 130.9 | -169.9 | 31 | -27.2 | 0 | 0 | 0 | 111.8 | ||
| 270 | I | 49 | Very low | 55.8 | Low | 158 Ų | 158 | 142.6 Ų | 142.6 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -90 | 136.6 | 175.3 | -63.4 | -177.5 | 0 | 0 | 0 | 109.6 | ||
| 271 | P | 51.1 | Low | 56.5 | Low | 111 Ų | 111 | 141.1 Ų | 141.1 | 72% | 0.721 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 155.9 | -153.7 | 33.5 | -36.3 | 0 | 0 | 0 | 115.4 | L273 | P271-L273 PolarHBondContact O-N 3.07Š|
| 272 | S | 46.5 | Very low | 56.5 | Low | 117 Ų | 117 | 143.2 Ų | 143.2 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 120.5 | 168.2 | -169.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 273 | L | 54.7 | Low | 56.7 | Low | 171 Ų | 171 | 144.6 Ų | 144.6 | 90% | 0.895 | 83% | 0.831 | S | S | * | * | trans | -92.2 | 102.3 | 169.4 | -106.9 | 144.2 | 0 | 0 | 0 | 108.5 | P271 | P271-L273 PolarHBondContact O-N 3.07Š| ||
| 274 | E | 65.8 | Low | 57.1 | Low | 171 Ų | 171 | 144.3 Ų | 144.3 | 80% | 0.799 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 134.1 | 168.7 | -168.5 | 177 | 158.4 | 0 | 0 | 109.1 | ||
| 275 | P | 71.1 | Confident | 56.8 | Low | 108 Ų | 108 | 146.9 Ų | 146.9 | 70% | 0.701 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 145.6 | 175.7 | 31.4 | -32 | 0 | 0 | 0 | 112.4 | ||
| 276 | P | 71.6 | Confident | 56.8 | Low | 118 Ų | 118 | 148.2 Ų | 148.2 | 77% | 0.766 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 162.8 | -174.8 | 31.7 | -35.6 | 0 | 0 | 0 | 113.8 | ||
| 277 | P | 61.6 | Low | 57.4 | Low | 120 Ų | 120 | 145.8 Ų | 145.8 | 78% | 0.779 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 149.1 | -171.1 | 31.6 | -34.8 | 0 | 0 | 0 | 113.5 | ||
| 278 | L | 54.1 | Low | 58.3 | Low | 179 Ų | 179 | 142.2 Ų | 142.2 | 94% | 0.937 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 130.6 | 168.6 | -72.8 | 155 | 0 | 0 | 0 | 110.2 | ||
| 279 | S | 68 | Low | 58.8 | Low | 192 Ų | 192 | 142.4 Ų | 142.4 | 100% | 1.343 | 85% | 0.851 | S | S | * | * | trans | -105.5 | 0 | 158 | -64 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 279 of 279 residues in 98.9 ms
(Link to these results)