| 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 | N | 39 | Very low | 58.1 | Low | 208 Ų | 208 | 130.1 Ų | 130.1 | 100% | 1.112 | 70% | 0.699 | S | S | * | * | 0 | 97.3 | 0 | -79.4 | -1.9 | 0 | 0 | 0 | 109.3 | |||||
| 2 | S | 42.6 | Very low | 58.6 | Low | 120 Ų | 120 | 127.1 Ų | 127.1 | 84% | 0.839 | 68% | 0.677 | S | S | * | * | trans | -83.1 | 115 | -176.2 | -46.6 | 0 | 0 | 0 | 0 | 109.1 | N4 | S2-N4 PolarHBondContact O-N 3.07Š| ||
| 3 | N | 43.6 | Very low | 59.2 | Low | 145 Ų | 145 | 124.5 Ų | 124.5 | 78% | 0.775 | 66% | 0.658 | S | S | * | * | trans | -76 | 105.6 | 174.4 | -68 | -34.1 | 0 | 0 | 0 | 109 | I5 | N3-I5 PolarHBondContact O-N 2.9Š| ||
| 4 | N | 47.9 | Very low | 59.7 | Low | 158 Ų | 158 | 129.4 Ų | 129.4 | 85% | 0.845 | 66% | 0.663 | S | S | * | * | trans | -86.9 | 97 | 163.9 | -90 | -29 | 0 | 0 | 0 | 108.2 | S2 | S2-N4 PolarHBondContact O-N 3.07Š| ||
| 5 | I | 64.1 | Low | 59.5 | Low | 138 Ų | 138 | 128.3 Ų | 128.3 | 71% | 0.708 | 66% | 0.659 | S | S | * | * | trans | -89.4 | 105.7 | 167.3 | -60.6 | 172.9 | 0 | 0 | 0 | 106.2 | N3 L7 | N3-I5 PolarHBondContact O-N 2.9Å; I5-L7 PolarHBondContact O-N 3.27Å; I5-L7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | N | 59 | Low | 59.7 | Low | 157 Ų | 157 | 128.4 Ų | 128.4 | 84% | 0.84 | 66% | 0.659 | S | S | * | * | trans | -63.2 | 107.8 | 168.6 | -98.3 | -53.1 | 0 | 0 | 0 | 108.4 | ||||
| 7 | L | 67.5 | Low | 59.5 | Low | 87 Ų | 87 | 133 Ų | 133 | 46% | 0.455 | 67% | 0.668 | S | S | . | * | trans | -76 | 134.8 | 169.7 | -80.6 | 114.1 | 0 | 0 | 0 | 110.2 | I5 D11 Q12 | I5-L7 PolarHBondContact O-N 3.27Å; I5-L7 VanDerWaalsContact O-N 3.15Å; L7-D11 HydrophobicContact CB-CB 4.17Å; L7-D11 HydrophobicContact CD2-CB 3.58Å; L7-D11 HydrophobicContact CG-CB 4.49Å; L7-Q12 PolarHBondContact O-NE2 3.05Å; L7-Q12 VanDerWaalsContact O-NE2 3.15Å | ||
| 8 | S | 66.8 | Low | 59.2 | Low | 68 Ų | 68 | 130.3 Ų | 130.3 | 48% | 0.476 | 66% | 0.664 | S | S | . | * | trans | -56.1 | 150.3 | 175.2 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | D10 D11 Q12 | S8-D10 PolarHBondContact O-N 2.88Å; S8-D10 VanDerWaalsContact O-N 3.11Å; S8-D11 WeakPolarHBondContact O-CB 3.28Å; S8-D11 PolarHBondContact O-N 3.09Å; S8-Q12 PolarHBondContact O-N 2.87Å; S8-Q12 VanDerWaalsContact O-N 3.07Å | ||
| 9 | Y | 69.6 | Low | 58.7 | Low | 166 Ų | 166 | 126.4 Ų | 126.4 | 65% | 0.651 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -56.5 | -30.1 | -179.9 | -159.8 | -94 | 0 | 0 | 0 | 112.2 | Q12 Q13 | Y9-Q12 PolarHBondContact O-N 2.86Å; Y9-Q13 HydrophobicContact CD1-CG 4.37Å; Y9-Q13 HydrophobicContact CE1-CG 4.3Å; Y9-Q13 WeakPolarHBondContact O-CG 3.19Å; Y9-Q13 PolarHBondContact O-N 3.44Å |
| 10 | D | 67.3 | Low | 58.2 | Low | 111 Ų | 111 | 126.5 Ų | 126.5 | 59% | 0.594 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -68.9 | -34.5 | 174 | -72.7 | -49.2 | 0 | 0 | 0 | 113.3 | S8 Q13 R14 | S8-D10 PolarHBondContact O-N 2.88Å; S8-D10 VanDerWaalsContact O-N 3.11Å; D10-Q13 PolarHBondContact O-N 3.21Å; D10-R14 PolarHBondContact O-N 3.43Å |
| 11 | D | 71.5 | Confident | 57.5 | Low | 73 Ų | 73 | 129.8 Ų | 129.8 | 39% | 0.39 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -74.3 | -34 | 175.5 | -69.1 | -34.8 | 0 | 0 | 0 | 111.4 | L7 S8 Q13 R14 L15 | L7-D11 HydrophobicContact CB-CB 4.17Å; L7-D11 HydrophobicContact CD2-CB 3.58Å; L7-D11 HydrophobicContact CG-CB 4.49Å; S8-D11 WeakPolarHBondContact O-CB 3.28Å; S8-D11 PolarHBondContact O-N 3.09Å; D11-Q13 VanDerWaalsContact C-N 3.3Å; D11-Q13 PolarHBondContact O-N 2.85Å; D11-R14 PolarHBondContact O-N 3.14Å; D11-L15 PolarHBondContact O-N 2.97Å |
| 12 | Q | 64.8 | Low | 57.6 | Low | 94 Ų | 94 | 126.9 Ų | 126.9 | 44% | 0.439 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -62.4 | -39.2 | 170.9 | -64.7 | -179.3 | 21.4 | 0 | 0 | 111 | L7 S8 Y9 L15 I16 | L7-Q12 PolarHBondContact O-NE2 3.05Å; L7-Q12 VanDerWaalsContact O-NE2 3.15Å; S8-Q12 PolarHBondContact O-N 2.87Å; S8-Q12 VanDerWaalsContact O-N 3.07Å; Y9-Q12 PolarHBondContact O-N 2.86Å; Q12-L15 PolarHBondContact O-N 3.42Å; Q12-I16 WeakPolarHBondContact O-CG1 3.4Å; Q12-I16 PolarHBondContact O-N 2.79Å |
| 13 | Q | 65.8 | Low | 57.8 | Low | 93 Ų | 93 | 130.6 Ų | 130.6 | 44% | 0.435 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -70.8 | -32.1 | 175.4 | -72.2 | -163.9 | 83.5 | 0 | 0 | 113.4 | Y9 D10 D11 L15 I16 Y17 | Y9-Q13 HydrophobicContact CD1-CG 4.37Å; Y9-Q13 HydrophobicContact CE1-CG 4.3Å; Y9-Q13 WeakPolarHBondContact O-CG 3.19Å; Y9-Q13 PolarHBondContact O-N 3.44Å; D10-Q13 PolarHBondContact O-N 3.21Å; D11-Q13 VanDerWaalsContact C-N 3.3Å; D11-Q13 PolarHBondContact O-N 2.85Å; Q13-L15 VanDerWaalsContact C-N 3.34Å; Q13-I16 PolarHBondContact O-N 2.94Å; Q13-Y17 PolarHBondContact O-N 3.35Å |
| 14 | R | 65.6 | Low | 57.5 | Low | 193 Ų | 193 | 133.3 Ų | 133.3 | 73% | 0.728 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65.8 | -36.2 | 172 | -81.5 | -176.3 | 168.9 | -90.5 | -0.5 | 112.5 | D10 D11 I16 Y17 S18 | D10-R14 PolarHBondContact O-N 3.43Å; D11-R14 PolarHBondContact O-N 3.14Å; R14-I16 VanDerWaalsContact C-N 3.33Å; R14-Y17 PolarHBondContact O-N 3.15Å; R14-S18 PolarHBondContact O-N 3.08Å; R14-S18 PolarHBondContact O-OG 3.12Å |
| 15 | L | 58.1 | Low | 57.7 | Low | 114 Ų | 114 | 131.2 Ų | 131.2 | 60% | 0.597 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.9 | -29.8 | 175.9 | -76.8 | 166 | 0 | 0 | 0 | 112.7 | D11 Q12 Q13 Y17 S18 | D11-L15 PolarHBondContact O-N 2.97Å; Q12-L15 PolarHBondContact O-N 3.42Å; Q13-L15 VanDerWaalsContact C-N 3.34Å; L15-Y17 VanDerWaalsContact C-N 3.29Å; L15-Y17 PolarHBondContact O-N 3.27Å; L15-S18 WeakPolarHBondContact CA-OG 3.48Å |
| 16 | I | 61.2 | Low | 56.9 | Low | 129 Ų | 129 | 131.1 Ų | 131.1 | 66% | 0.662 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -69.4 | -27.3 | 175.9 | -67 | 166.7 | 0 | 0 | 0 | 112 | Q12 Q13 R14 | Q12-I16 WeakPolarHBondContact O-CG1 3.4Å; Q12-I16 PolarHBondContact O-N 2.79Å; Q13-I16 PolarHBondContact O-N 2.94Å; R14-I16 VanDerWaalsContact C-N 3.33Å |
| 17 | Y | 56.5 | Low | 56.1 | Low | 207 Ų | 207 | 128.1 Ų | 128.1 | 81% | 0.812 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -98.2 | -3.9 | 179.6 | -82.5 | -81.4 | 0 | 0 | 0 | 115.4 | Q13 R14 L15 | Q13-Y17 PolarHBondContact O-N 3.35Å; R14-Y17 PolarHBondContact O-N 3.15Å; L15-Y17 VanDerWaalsContact C-N 3.29Å; L15-Y17 PolarHBondContact O-N 3.27Å |
| 18 | S | 54.9 | Low | 54.9 | Low | 84 Ų | 84 | 131.5 Ų | 131.5 | 59% | 0.587 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -100.9 | 3.6 | -178.5 | 37.8 | 0 | 0 | 0 | 0 | 114.4 | R14 L15 | R14-S18 PolarHBondContact O-N 3.08Å; R14-S18 PolarHBondContact O-OG 3.12Å; L15-S18 WeakPolarHBondContact CA-OG 3.48Å |
| 19 | G | 48.6 | Very low | 53.8 | Low | 56 Ų | 56 | 136.2 Ų | 136.2 | 58% | 0.577 | 68% | 0.684 | S | S | * | * | trans | -112 | 82.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 20 | T | 49.5 | Very low | 52.6 | Low | 129 Ų | 129 | 136.4 Ų | 136.4 | 79% | 0.791 | 70% | 0.696 | S | S | * | * | trans | -169.1 | 75 | 143.3 | 38.5 | 0 | 0 | 0 | 0 | 108.1 | Q22 | T20-Q22 PolarHBondContact O-N 3.12Š| ||
| 21 | E | 42.8 | Very low | 51.6 | Low | 195 Ų | 195 | 139.2 Ų | 139.2 | 91% | 0.911 | 70% | 0.703 | S | S | * | * | trans | -66.7 | 89.4 | 154.6 | -82.1 | -168 | 131.9 | 0 | 0 | 107.8 | K23 | E21-K23 PolarHBondContact O-N 3.46Š| ||
| 22 | Q | 41.4 | Very low | 50.2 | Low | 148 Ų | 148 | 141.1 Ų | 141.1 | 69% | 0.692 | 72% | 0.722 | S | S | * | * | trans | -73.9 | 106.3 | 159 | -81 | -73.5 | 6.4 | 0 | 0 | 107.4 | T20 Y24 | T20-Q22 PolarHBondContact O-N 3.12Å; Q22-Y24 PolarHBondContact O-N 3.18Å | ||
| 23 | K | 48.1 | Very low | 49.1 | Very low | 198 Ų | 198 | 146.1 Ų | 146.1 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | trans | -53.9 | 101.4 | 165 | -86.9 | 178.6 | 171.4 | 178 | 0 | 108.9 | E21 | E21-K23 PolarHBondContact O-N 3.46Š| ||
| 24 | Y | 36.8 | Very low | 48.4 | Very low | 202 Ų | 202 | 146.8 Ų | 146.8 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | trans | -72.7 | 132.9 | 159 | -69.9 | -79.2 | 0 | 0 | 0 | 108.3 | Q22 T26 | Q22-Y24 PolarHBondContact O-N 3.18Å; Y24-T26 PolarHBondContact O-N 2.87Å; Y24-T26 VanDerWaalsContact O-N 3.08Å | ||
| 25 | P | 52.2 | Low | 47.5 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | -63.2 | 115.6 | 172 | 25.4 | -29.6 | 0 | 0 | 0 | 108.2 | S27 | P25-S27 PolarHBondContact O-N 3.29Š| ||
| 26 | T | 46.1 | Very low | 47 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | -66.7 | 77.7 | 163.7 | 34 | 0 | 0 | 0 | 0 | 108.8 | Y24 N28 | Y24-T26 PolarHBondContact O-N 2.87Å; Y24-T26 VanDerWaalsContact O-N 3.08Å; T26-N28 PolarHBondContact O-N 3.48Å; T26-N28 VanDerWaalsContact O-N 3.14Å | ||
| 27 | S | 43.6 | Very low | 46.4 | Very low | 95 Ų | 95 | 145 Ų | 145 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | trans | -78.7 | 91.7 | 164 | 53.4 | 0 | 0 | 0 | 0 | 108.4 | P25 Q29 | P25-S27 PolarHBondContact O-N 3.29Å; S27-Q29 PolarHBondContact O-N 3.15Å | ||
| 28 | N | 41.7 | Very low | 46.1 | Very low | 158 Ų | 158 | 143 Ų | 143 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | -61.6 | 83.4 | 156.9 | -82.6 | -19.6 | 0 | 0 | 0 | 108.4 | T26 | T26-N28 PolarHBondContact O-N 3.48Å; T26-N28 VanDerWaalsContact O-N 3.14Å | ||
| 29 | Q | 43.9 | Very low | 45.5 | Very low | 166 Ų | 166 | 144 Ų | 144 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -108.7 | 97.7 | 156.8 | -76.5 | -89.7 | 35.9 | 0 | 0 | 104.8 | S27 K31 | S27-Q29 PolarHBondContact O-N 3.15Å; Q29-K31 PolarHBondContact O-N 2.7Å | ||
| 30 | L | 45.1 | Very low | 45.7 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | -56 | 91.6 | 165.8 | -81 | 156.9 | 0 | 0 | 0 | 107.4 | S32 | L30-S32 VanDerWaalsContact C-N 3.29Å; L30-S32 PolarHBondContact O-N 3.42Å | ||
| 31 | K | 45 | Very low | 45.9 | Very low | 170 Ų | 170 | 148.7 Ų | 148.7 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | trans | -74.8 | 95.8 | 164.5 | -128.7 | 159 | -176.5 | 175.5 | 0 | 105.1 | Q29 Y33 | Q29-K31 PolarHBondContact O-N 2.7Å; K31-Y33 VanDerWaalsContact C-N 3.34Å; K31-Y33 WeakPolarHBondContact O-CD2 3.45Å; K31-Y33 PolarHBondContact O-N 3.36Å | ||
| 32 | S | 43.2 | Very low | 45.9 | Very low | 112 Ų | 112 | 146.5 Ų | 146.5 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | -54.7 | 99.2 | 169 | 43.4 | 0 | 0 | 0 | 0 | 108.4 | L30 | L30-S32 VanDerWaalsContact C-N 3.29Å; L30-S32 PolarHBondContact O-N 3.42Å | ||
| 33 | Y | 40.2 | Very low | 45.8 | Very low | 199 Ų | 199 | 142.7 Ų | 142.7 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | -73 | 127.5 | 167.1 | -69.9 | -84.6 | 0 | 0 | 0 | 107.8 | K31 N35 | K31-Y33 VanDerWaalsContact C-N 3.34Å; K31-Y33 WeakPolarHBondContact O-CD2 3.45Å; K31-Y33 PolarHBondContact O-N 3.36Å; Y33-N35 PolarHBondContact O-N 3.06Å | ||
| 34 | P | 51.1 | Low | 45.7 | Very low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -66.7 | 123.4 | 165.4 | 28.1 | -28.5 | 0 | 0 | 0 | 107.3 | ||
| 35 | N | 47.9 | Very low | 45.9 | Very low | 144 Ų | 144 | 136.7 Ų | 136.7 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 80.1 | 93.8 | 166.4 | -46.9 | -43.4 | 0 | 0 | 0 | 117 | Y33 L37 | Y33-N35 PolarHBondContact O-N 3.06Å; N35-L37 VanDerWaalsContact C-N 3.34Å; N35-L37 PolarHBondContact O-N 3.29Å |
| 36 | G | 46.9 | Very low | 45.5 | Very low | 85 Ų | 85 | 140.6 Ų | 140.6 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | 68.9 | -1.9 | 121.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | L38 | G36-L38 PolarHBondContact O-N 3.36Š| |||
| 37 | L | 49.7 | Very low | 45.6 | Very low | 169 Ų | 169 | 143.2 Ų | 143.2 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | trans | -96 | 102.1 | -178.8 | -66.8 | 176.8 | 0 | 0 | 0 | 111.7 | N35 N39 | N35-L37 VanDerWaalsContact C-N 3.34Å; N35-L37 PolarHBondContact O-N 3.29Å; L37-N39 PolarHBondContact O-N 3.36Å | ||
| 38 | L | 49.4 | Very low | 45.7 | Very low | 164 Ų | 164 | 146 Ų | 146 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | -44.5 | 129.4 | 167.8 | -147.6 | 81.9 | 0 | 0 | 0 | 110.2 | G36 P40 | G36-L38 PolarHBondContact O-N 3.36Å; L38-P40 VanDerWaalsContact O-CD 3.28Å; L38-P40 WeakPolarHBondContact O-CD 3.29Å; L38-P40 VanDerWaalsContact O-N 3.15Å | ||
| 39 | N | 42.4 | Very low | 46 | Very low | 106 Ų | 106 | 143 Ų | 143 | 57% | 0.567 | 78% | 0.776 | S | S | * | * | trans | -54.6 | 113.4 | 175.7 | -166.2 | 50 | 0 | 0 | 0 | 110 | L37 F41 | L37-N39 PolarHBondContact O-N 3.36Å; N39-F41 PolarHBondContact O-N 3.44Å | ||
| 40 | P | 52.1 | Low | 45.9 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 6.3 | -173.2 | 28.6 | -31.7 | 0 | 0 | 0 | 114 | L38 | L38-P40 VanDerWaalsContact O-CD 3.28Å; L38-P40 WeakPolarHBondContact O-CD 3.29Å; L38-P40 VanDerWaalsContact O-N 3.15Å |
| 41 | F | 54.2 | Low | 46.2 | Very low | 178 Ų | 178 | 140.1 Ų | 140.1 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | 10.3 | -175.5 | -76.8 | -77.8 | 0 | 0 | 0 | 115.2 | N39 | N39-F41 PolarHBondContact O-N 3.44Š|
| 42 | N | 42.4 | Very low | 46.2 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -138 | 79.5 | 169.7 | -98.1 | -11.7 | 0 | 0 | 0 | 109.3 | ||
| 43 | G | 39.3 | Very low | 45.9 | Very low | 67 Ų | 67 | 140.3 Ų | 140.3 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | trans | 169.5 | 39.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | N45 | G43-N45 VanDerWaalsContact C-N 3.3Š| ||
| 44 | T | 45.8 | Very low | 46 | Very low | 141 Ų | 141 | 138 Ų | 138 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | trans | -100 | 62 | 163.6 | 61 | 0 | 0 | 0 | 0 | 109 | ||||
| 45 | N | 41 | Very low | 45.7 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -124.7 | 129.9 | 155.4 | -83.8 | -40.5 | 0 | 0 | 0 | 105.1 | G43 | G43-N45 VanDerWaalsContact C-N 3.3Š|
| 46 | F | 45.5 | Very low | 45.8 | Very low | 195 Ų | 195 | 138.1 Ų | 138.1 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | 75 | 96.8 | 175 | -50 | -77.5 | 0 | 0 | 0 | 116.5 | ||||
| 47 | M | 47.6 | Very low | 45.7 | Very low | 191 Ų | 191 | 140.8 Ų | 140.8 | 94% | 0.941 | 77% | 0.77 | S | S | * | * | -165.2 | 77.1 | 128.3 | -90.4 | -99.4 | 135.5 | 0 | 0 | 106.6 | |||||
| 48 | H | 44.5 | Very low | 45.3 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | trans | -72.1 | 130.5 | 164.3 | -169.3 | -90 | 0 | 0 | 0 | 107 | T50 | H48-T50 PolarHBondContact O-N 2.86Š| ||
| 49 | P | 48.2 | Very low | 45 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 63% | 0.63 | 76% | 0.764 | S | S | * | * | trans | -62.3 | 126.5 | 170.7 | 23 | -24.6 | 0 | 0 | 0 | 107.3 | I51 | P49-I51 VanDerWaalsContact C-N 3.3Å; P49-I51 PolarHBondContact O-N 2.9Å | ||
| 50 | T | 43.2 | Very low | 45.2 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | trans | -64.5 | 95.6 | 173.9 | -60.3 | 0 | 0 | 0 | 0 | 107.2 | H48 Q52 | H48-T50 PolarHBondContact O-N 2.86Å; T50-Q52 PolarHBondContact O-N 3.12Å | ||
| 51 | I | 49.7 | Very low | 45 | Very low | 140 Ų | 140 | 145.7 Ų | 145.7 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | trans | -70.1 | 117.7 | 161.2 | -65 | 179.2 | 0 | 0 | 0 | 104.9 | P49 S53 | P49-I51 VanDerWaalsContact C-N 3.3Å; P49-I51 PolarHBondContact O-N 2.9Å; I51-S53 PolarHBondContact O-N 3.48Å; I51-S53 VanDerWaalsContact O-N 3.09Å | ||
| 52 | Q | 46.5 | Very low | 44.7 | Very low | 173 Ų | 173 | 144.3 Ų | 144.3 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | -45 | 117.1 | 173 | -76.3 | 171.9 | -34.7 | 0 | 0 | 109.7 | T50 N54 | T50-Q52 PolarHBondContact O-N 3.12Å; Q52-N54 PolarHBondContact O-N 3.15Å; Q52-N54 VanDerWaalsContact O-N 3.15Å | ||
| 53 | S | 36.6 | Very low | 44.5 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -60.9 | 110.3 | 171.2 | 47.6 | 0 | 0 | 0 | 0 | 109.6 | I51 | I51-S53 PolarHBondContact O-N 3.48Å; I51-S53 VanDerWaalsContact O-N 3.09Å | ||
| 54 | N | 43 | Very low | 44.6 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -131.9 | 138.4 | 154.7 | -85.4 | -23.5 | 0 | 0 | 0 | 107.9 | Q52 | Q52-N54 PolarHBondContact O-N 3.15Å; Q52-N54 VanDerWaalsContact O-N 3.15Å | ||
| 55 | S | 44.8 | Very low | 44.2 | Very low | 105 Ų | 105 | 145.2 Ų | 145.2 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | 81.2 | 93.5 | 172.6 | 69.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 56 | L | 48.6 | Very low | 44.3 | Very low | 150 Ų | 150 | 147.6 Ų | 147.6 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | 66.9 | 112.6 | 112.5 | -69.2 | 142.7 | 0 | 0 | 0 | 119.4 | |||||
| 57 | I | 44.9 | Very low | 44.2 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | trans | 82.4 | 98.8 | 134 | -58.2 | 165.4 | 0 | 0 | 0 | 117.1 | ||||
| 58 | T | 40.8 | Very low | 43.7 | Very low | 121 Ų | 121 | 144 Ų | 144 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | -39.6 | 127.3 | 149.2 | -51.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 59 | R | 44.6 | Very low | 43.3 | Very low | 232 Ų | 232 | 143.7 Ų | 143.7 | 88% | 0.875 | 77% | 0.768 | S | S | * | * | trans | -165.2 | 138.5 | 137.3 | -106 | 163.2 | -169.5 | -109.1 | 2.5 | 112.9 | ||||
| 60 | H | 46.3 | Very low | 43 | Very low | 164 Ų | 164 | 145.2 Ų | 145.2 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -42.6 | 157.5 | -176.8 | -57.1 | -94.7 | 0 | 0 | 0 | 118.4 | ||||
| 61 | P | 48 | Very low | 43.1 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | -84.6 | 127 | 166.1 | 34.2 | -27.1 | 0 | 0 | 0 | 109.9 | ||||
| 62 | N | 46.7 | Very low | 42.8 | Very low | 148 Ų | 148 | 145.7 Ų | 145.7 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -137.3 | 144.6 | 162.4 | -164.1 | 8.6 | 0 | 0 | 0 | 110.4 | ||||
| 63 | N | 39.1 | Very low | 42.8 | Very low | 133 Ų | 133 | 145.2 Ų | 145.2 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -52 | 149.6 | -179 | -59.4 | -48.8 | 0 | 0 | 0 | 114.4 | ||||
| 64 | N | 42 | Very low | 43.1 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | 176.2 | 105.9 | 141 | -83.7 | -20.5 | 0 | 0 | 0 | 105.6 | ||||
| 65 | S | 36.3 | Very low | 43.2 | Very low | 90 Ų | 90 | 144.3 Ų | 144.3 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | 59.8 | 133.5 | 79 | -60.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 66 | F | 44 | Very low | 43.2 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 80% | 0.803 | 78% | 0.777 | S | S | * | * | trans | 78.9 | 139.1 | 170.7 | -52.2 | -80.2 | 0 | 0 | 0 | 115.9 | ||||
| 67 | Q | 42.2 | Very low | 42.9 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | cis | -166.7 | 150 | -8.5 | -123.2 | 174.2 | 13.9 | 0 | 0 | 105.8 | ||||
| 68 | L | 37.1 | Very low | 42.8 | Very low | 160 Ų | 160 | 145.4 Ų | 145.4 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -63.8 | 131.8 | 163.6 | -81.1 | 126.1 | 0 | 0 | 0 | 109.5 | ||||
| 69 | N | 35.9 | Very low | 42.9 | Very low | 145 Ų | 145 | 144.7 Ų | 144.7 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | -129.4 | 105.2 | 159.7 | -87.7 | -15.4 | 0 | 0 | 0 | 109.1 | ||||
| 70 | T | 42.4 | Very low | 42.9 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -82.7 | 119.9 | 155.9 | 46.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 71 | T | 46.5 | Very low | 42.6 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -81.8 | 114.9 | 173.7 | 38.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 72 | N | 42.5 | Very low | 42.2 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -88.4 | 119.6 | 157.7 | -84.2 | -22.6 | 0 | 0 | 0 | 107.8 | ||||
| 73 | D | 47 | Very low | 41.9 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | -97.4 | 135.3 | 166.8 | -91.2 | -34.2 | 0 | 0 | 0 | 111.1 | ||||
| 74 | S | 43.3 | Very low | 41.9 | Very low | 94 Ų | 94 | 136.8 Ų | 136.8 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | trans | -90.3 | 176.3 | -176.9 | -57.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 75 | N | 43.8 | Very low | 42 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | 100.3 | 138.6 | 160.7 | -49 | -35.7 | 0 | 0 | 0 | 113.8 | ||||
| 76 | N | 45.2 | Very low | 42.4 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | cis | -164.4 | 170.1 | 11.3 | -146 | -21.8 | 0 | 0 | 0 | 110.1 | ||||
| 77 | N | 43.2 | Very low | 42.2 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | trans | -65 | 173.4 | -168.2 | -62.3 | -61.1 | 0 | 0 | 0 | 118.9 | ||||
| 78 | N | 41.8 | Very low | 42.3 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 110.7 | 139.3 | 150.5 | -61.5 | -20.7 | 0 | 0 | 0 | 114.9 | ||||
| 79 | T | 42.3 | Very low | 42.6 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 64% | 0.644 | 77% | 0.773 | S | S | * | * | cis | -179.6 | 156.5 | -2.8 | -84.2 | 0 | 0 | 0 | 0 | 106 | ||||
| 80 | T | 45.2 | Very low | 42.8 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | 77.5 | 104.4 | 155.8 | 44.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 81 | N | 40 | Very low | 42.9 | Very low | 141 Ų | 141 | 142 Ų | 142 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | 13.9 | 127 | 123.8 | -63.3 | -15 | 0 | 0 | 0 | 120.2 | |||||
| 82 | N | 39.8 | Very low | 42.4 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | 168.8 | 133.1 | 106.9 | -89.8 | -26.3 | 0 | 0 | 0 | 112.5 | |||||
| 83 | G | 39.7 | Very low | 42.4 | Very low | 63 Ų | 63 | 143.4 Ų | 143.4 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | 83.7 | 103.4 | 128.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 84 | N | 41 | Very low | 42 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | 83.8 | 122.8 | 128.3 | -57.2 | -6.9 | 0 | 0 | 0 | 121.6 | |||||
| 85 | D | 42.6 | Very low | 42.1 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | 100.9 | 121.1 | 131.1 | -76.1 | -27.6 | 0 | 0 | 0 | 122.5 | ||||
| 86 | S | 44.8 | Very low | 42.1 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | 91.4 | 94 | 139.4 | -60 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 87 | R | 39.5 | Very low | 41.9 | Very low | 244 Ų | 244 | 146.1 Ų | 146.1 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | 35.2 | 119.8 | 126.1 | -80 | 178.4 | 155.8 | 133.9 | -5 | 119 | |||||
| 88 | S | 45.6 | Very low | 41.8 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 88% | 0.881 | 78% | 0.782 | S | S | * | * | trans | -150.7 | 114.3 | 131.3 | 50.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 89 | H | 43.6 | Very low | 41.8 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 64% | 0.644 | 78% | 0.783 | S | S | * | * | trans | -73.3 | 133.5 | 162.8 | -103.3 | -104.1 | 0 | 0 | 0 | 108.5 | Y91 | H89-Y91 AromaticContact ND1-CE2 3.86Å; H89-Y91 AromaticContact ND1-CZ 3.76Å | ||
| 90 | L | 39.7 | Very low | 41.7 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | trans | -146.4 | 136.3 | 143.4 | -84.2 | -175.6 | 0 | 0 | 0 | 110.5 | ||||
| 91 | Y | 43.7 | Very low | 41.4 | Very low | 186 Ų | 186 | 145.4 Ų | 145.4 | 73% | 0.729 | 79% | 0.785 | S | S | * | * | trans | -81.8 | 155.5 | -159.5 | -72.7 | -97.1 | 0 | 0 | 0 | 114.6 | H89 | H89-Y91 AromaticContact ND1-CE2 3.86Å; H89-Y91 AromaticContact ND1-CZ 3.76Å | ||
| 92 | D | 36.5 | Very low | 41.2 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -48.9 | 140.6 | 160.9 | -117.7 | -38 | 0 | 0 | 0 | 113.2 | ||||
| 93 | I | 42.9 | Very low | 41.1 | Very low | 156 Ų | 156 | 146.7 Ų | 146.7 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | -123.4 | 99 | 166.4 | -61.5 | 176 | 0 | 0 | 0 | 108.4 | ||||
| 94 | S | 37.3 | Very low | 40.9 | Very low | 107 Ų | 107 | 152.1 Ų | 152.1 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -109.8 | 104.1 | 157.3 | 59.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 95 | T | 46.6 | Very low | 40.9 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -138.8 | 109.8 | 164.8 | -54.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 96 | F | 43.8 | Very low | 40.7 | Very low | 204 Ų | 204 | 151.1 Ų | 151.1 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | -54.4 | 135.4 | 162.1 | -87.4 | -103.3 | 0 | 0 | 0 | 110.7 | ||||
| 97 | N | 40.2 | Very low | 40.6 | Very low | 164 Ų | 164 | 152.4 Ų | 152.4 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -149.1 | 124.2 | 141.1 | -145.4 | -0.3 | 0 | 0 | 0 | 110.8 | ||||
| 98 | A | 41.9 | Very low | 41 | Very low | 67 Ų | 67 | 147.2 Ų | 147.2 | 55% | 0.554 | 79% | 0.792 | S | S | * | * | trans | -83.3 | 166.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 99 | Q | 41.2 | Very low | 40.6 | Very low | 176 Ų | 176 | 148 Ų | 148 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | 74.7 | 91.1 | 176 | -76.8 | 118.3 | -23.4 | 0 | 0 | 117.8 | ||||
| 100 | N | 40.6 | Very low | 40.5 | Very low | 153 Ų | 153 | 149.6 Ų | 149.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | -169.4 | 124.5 | 119.6 | -110.2 | -33.7 | 0 | 0 | 0 | 110.9 | |||||
| 101 | P | 39.2 | Very low | 40.5 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | trans | -104 | 46.3 | -176.3 | 40.2 | -33.1 | 0 | 0 | 0 | 113.1 | ||||
| 102 | Y | 35.5 | Very low | 39.9 | Very low | 214 Ų | 214 | 144.1 Ų | 144.1 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -157.3 | 87.9 | 169.8 | -64.9 | -72.3 | 0 | 0 | 0 | 112.2 | ||||
| 103 | S | 37.8 | Very low | 40 | Very low | 115 Ų | 115 | 146.9 Ų | 146.9 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -168.6 | 114.5 | 154.6 | 39.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 104 | L | 34.1 | Very low | 39.6 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 93% | 0.932 | 78% | 0.782 | S | S | * | * | trans | -84.6 | 109.4 | 172.6 | -73.2 | 158.6 | 0 | 0 | 0 | 109 | ||||
| 105 | T | 42.3 | Very low | 39.9 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | trans | -150.8 | 98 | 156.6 | 49.2 | 0 | 0 | 0 | 0 | 110.7 | T107 | T105-T107 PolarHBondContact O-N 3.06Š| ||
| 106 | N | 38.5 | Very low | 39.4 | Very low | 161 Ų | 161 | 148.7 Ų | 148.7 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -78.5 | 101.1 | 159.3 | -95.5 | 3.6 | 0 | 0 | 0 | 107.8 | L108 | N106-L108 PolarHBondContact O-N 3.37Å; N106-L108 VanDerWaalsContact O-N 3.16Å | ||
| 107 | T | 41.5 | Very low | 39.1 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -78.3 | 89.6 | 166.2 | 36.6 | 0 | 0 | 0 | 0 | 109.1 | T105 N109 | T105-T107 PolarHBondContact O-N 3.06Å; T107-N109 PolarHBondContact O-N 3.45Å | ||
| 108 | L | 48.8 | Very low | 38.8 | Very low | 135 Ų | 135 | 147.3 Ų | 147.3 | 71% | 0.707 | 78% | 0.779 | S | S | * | * | trans | -70.2 | 105.8 | 163.9 | -73.9 | 168.1 | 0 | 0 | 0 | 108.4 | N106 F110 | N106-L108 PolarHBondContact O-N 3.37Å; N106-L108 VanDerWaalsContact O-N 3.16Å; L108-F110 HydrophobicContact CB-CD2 4.34Å; L108-F110 HydrophobicContact CB-CE2 4.04Å; L108-F110 PolarHBondContact O-N 3.19Å | ||
| 109 | N | 36.4 | Very low | 38.7 | Very low | 141 Ų | 141 | 150.4 Ų | 150.4 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -82.8 | 95.8 | 176.9 | -152.3 | 9.1 | 0 | 0 | 0 | 108.9 | T107 N111 | T107-N109 PolarHBondContact O-N 3.45Å; N109-N111 PolarHBondContact O-N 3.07Å | ||
| 110 | F | 42.1 | Very low | 38.3 | Very low | 173 Ų | 173 | 147.4 Ų | 147.4 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | -81 | 99.8 | 170.7 | -77.7 | -81.4 | 0 | 0 | 0 | 109.3 | L108 S112 | L108-F110 HydrophobicContact CB-CD2 4.34Å; L108-F110 HydrophobicContact CB-CE2 4.04Å; L108-F110 PolarHBondContact O-N 3.19Å; F110-S112 PolarHBondContact O-N 3.34Å; F110-S112 VanDerWaalsContact O-N 3.14Å | ||
| 111 | N | 39.9 | Very low | 38.2 | Very low | 137 Ų | 137 | 147.4 Ų | 147.4 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | -74.9 | 95.9 | 166.3 | -88.1 | -44.7 | 0 | 0 | 0 | 109.7 | N109 R113 | N109-N111 PolarHBondContact O-N 3.07Å; N111-R113 PolarHBondContact O-N 3.28Å | ||
| 112 | S | 31.4 | Very low | 38 | Very low | 110 Ų | 110 | 149.6 Ų | 149.6 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -70.2 | 101.9 | 161.2 | -63 | 0 | 0 | 0 | 0 | 109.1 | F110 | F110-S112 PolarHBondContact O-N 3.34Å; F110-S112 VanDerWaalsContact O-N 3.14Å | ||
| 113 | R | 37.5 | Very low | 38 | Very low | 215 Ų | 215 | 146.5 Ų | 146.5 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -110.5 | 94.5 | 161.4 | -84.5 | -172.2 | 179.4 | -156.5 | 0.3 | 109.5 | N111 M115 | N111-R113 PolarHBondContact O-N 3.28Å; R113-M115 PolarHBondContact O-N 3.44Å | ||
| 114 | T | 35.8 | Very low | 37.9 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | trans | -58.1 | 112.6 | 156.7 | -38 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 115 | M | 42.4 | Very low | 38.4 | Very low | 156 Ų | 156 | 146.2 Ų | 146.2 | 77% | 0.768 | 78% | 0.776 | S | S | * | * | trans | -127.4 | 117.6 | 169.5 | -84.1 | -73.1 | 141 | 0 | 0 | 108.6 | R113 | R113-M115 PolarHBondContact O-N 3.44Š| ||
| 116 | N | 36.6 | Very low | 38.4 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -50 | 131.6 | 168 | -63.2 | -48.7 | 0 | 0 | 0 | 110.2 | ||||
| 117 | N | 37.5 | Very low | 38.7 | Very low | 142 Ų | 142 | 149 Ų | 149 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | -141.8 | 92.9 | 151 | -112.1 | 1.9 | 0 | 0 | 0 | 108.2 | L119 | N117-L119 VanDerWaalsContact C-N 3.34Å; N117-L119 HydrophobicContact CB-CD1 4.25Å; N117-L119 PolarHBondContact O-N 2.89Å | ||
| 118 | Q | 34.1 | Very low | 38.3 | Very low | 196 Ų | 196 | 148.5 Ų | 148.5 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | trans | -73.5 | 94.2 | 159.7 | -167 | -175.4 | 75 | 0 | 0 | 105.7 | ||||
| 119 | L | 38.5 | Very low | 38 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | trans | -124.7 | 104.9 | 169.1 | -96 | 133.7 | 0 | 0 | 0 | 107.8 | N117 | N117-L119 VanDerWaalsContact C-N 3.34Å; N117-L119 HydrophobicContact CB-CD1 4.25Å; N117-L119 PolarHBondContact O-N 2.89Å | ||
| 120 | T | 33.7 | Very low | 38.3 | Very low | 113 Ų | 113 | 145.5 Ų | 145.5 | 69% | 0.693 | 77% | 0.771 | S | S | * | * | trans | -55.6 | 126.5 | 156.4 | 45.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 121 | M | 39 | Very low | 38.3 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | 174.2 | 107.1 | 145.4 | -85.5 | -35.4 | 152.1 | 0 | 0 | 108.1 | D123 | M121-D123 PolarHBondContact O-N 3.02Š| ||
| 122 | N | 33.5 | Very low | 38.7 | Very low | 145 Ų | 145 | 140 Ų | 140 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | trans | 28 | 91.1 | 133.2 | -52.5 | -31.2 | 0 | 0 | 0 | 116.9 | ||||
| 123 | D | 37.4 | Very low | 39.6 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -146.9 | 86.7 | 145.6 | -110.7 | -26.2 | 0 | 0 | 0 | 110.4 | M121 M125 | M121-D123 PolarHBondContact O-N 3.02Å; D123-M125 PolarHBondContact O-N 3.11Å; D123-M125 VanDerWaalsContact O-N 3.09Å | ||
| 124 | S | 34.2 | Very low | 40 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | trans | -67.5 | 98.3 | 164.5 | -64.9 | 0 | 0 | 0 | 0 | 107.9 | K126 | S124-K126 PolarHBondContact O-N 3.04Š| ||
| 125 | M | 45.6 | Very low | 40.2 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | trans | -68.7 | 89 | 161.7 | -60.2 | -165.5 | -173.2 | 0 | 0 | 107.7 | D123 L127 | D123-M125 PolarHBondContact O-N 3.11Å; D123-M125 VanDerWaalsContact O-N 3.09Å; M125-L127 PolarHBondContact O-N 3.07Å | ||
| 126 | K | 42.6 | Very low | 40.9 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | trans | -40.2 | 100.5 | 167.8 | -85.7 | 171.9 | 153.6 | 172.3 | 0 | 110.7 | S124 N128 | S124-K126 PolarHBondContact O-N 3.04Å; K126-N128 HydrophobicContact CB-CB 4.15Å; K126-N128 HydrophobicContact CG-CB 4.35Å; K126-N128 PolarHBondContact O-N 3.41Å; K126-N128 VanDerWaalsContact O-N 3.13Å | ||
| 127 | L | 43.6 | Very low | 41.6 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 92% | 0.916 | 73% | 0.733 | S | S | * | * | trans | -79.6 | 64.6 | 147.3 | -71.2 | 177.6 | 0 | 0 | 0 | 107.8 | M125 G129 | M125-L127 PolarHBondContact O-N 3.07Å; L127-G129 VanDerWaalsContact C-N 3.35Å; L127-G129 PolarHBondContact O-N 3.01Å | ||
| 128 | N | 33.6 | Very low | 41.9 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 65% | 0.647 | 72% | 0.719 | S | S | * | * | trans | -101.6 | 61.9 | 173.8 | -67.3 | 19.9 | 0 | 0 | 0 | 108.4 | K126 N130 | K126-N128 HydrophobicContact CB-CB 4.15Å; K126-N128 HydrophobicContact CG-CB 4.35Å; K126-N128 PolarHBondContact O-N 3.41Å; K126-N128 VanDerWaalsContact O-N 3.13Å; N128-N130 VanDerWaalsContact C-N 3.29Å; N128-N130 PolarHBondContact O-N 3.09Å | ||
| 129 | G | 41.9 | Very low | 42.5 | Very low | 69 Ų | 69 | 133 Ų | 133 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | trans | -92.8 | 63.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | L127 L131 | L127-G129 VanDerWaalsContact C-N 3.35Å; L127-G129 PolarHBondContact O-N 3.01Å; G129-L131 VanDerWaalsContact C-N 3.29Å; G129-L131 PolarHBondContact O-N 2.74Å | ||
| 130 | N | 42.5 | Very low | 43.1 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 78% | 0.775 | 72% | 0.715 | S | S | * | * | trans | -65.1 | 97.3 | 164 | -101.5 | -5 | 0 | 0 | 0 | 106.5 | N128 T132 | N128-N130 VanDerWaalsContact C-N 3.29Å; N128-N130 PolarHBondContact O-N 3.09Å; N130-T132 HydrophobicContact CB-CG2 4.21Å; N130-T132 PolarHBondContact O-N 3.5Å | ||
| 131 | L | 43 | Very low | 44 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 69% | 0.686 | 72% | 0.718 | S | S | * | * | trans | -59.4 | 95 | 159.7 | -80.1 | 157 | 0 | 0 | 0 | 106.1 | G129 | G129-L131 VanDerWaalsContact C-N 3.29Å; G129-L131 PolarHBondContact O-N 2.74Å | ||
| 132 | T | 48.6 | Very low | 44.5 | Very low | 63 Ų | 63 | 132.4 Ų | 132.4 | 39% | 0.387 | 72% | 0.719 | S | S | . | * | trans | -83.9 | 138 | 178.8 | 40.7 | 0 | 0 | 0 | 0 | 106.9 | N130 H134 D135 | N130-T132 HydrophobicContact CB-CG2 4.21Å; N130-T132 PolarHBondContact O-N 3.5Å; T132-H134 WeakPolarHBondContact CB-ND1 3.33Å; T132-H134 PolarHBondContact O-N 3.34Å; T132-H134 PolarHBondContact OG1-CE1 2.83Å; T132-H134 PolarHBondContact OG1-ND1 3.2Å; T132-D135 PolarHBondContact O-N 2.96Å | ||
| 133 | L | 50.7 | Low | 44.8 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 88% | 0.88 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | 10 | -174.4 | -152.5 | 75 | 0 | 0 | 0 | 115.2 | ||
| 134 | H | 46.1 | Very low | 44.9 | Very low | 139 Ų | 139 | 128.6 Ų | 128.6 | 64% | 0.644 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -0.9 | -174.6 | 84.2 | -64.6 | 0 | 0 | 0 | 114.4 | T132 T136 | T132-H134 WeakPolarHBondContact CB-ND1 3.33Å; T132-H134 PolarHBondContact O-N 3.34Å; T132-H134 PolarHBondContact OG1-CE1 2.83Å; T132-H134 PolarHBondContact OG1-ND1 3.2Å; H134-T136 PolarHBondContact O-N 3.21Å |
| 135 | D | 39.1 | Very low | 44.9 | Very low | 72 Ų | 72 | 129.1 Ų | 129.1 | 39% | 0.385 | 72% | 0.719 | S | S | . | * | trans | -65.7 | 120.7 | 173.9 | -75 | -32 | 0 | 0 | 0 | 109.8 | T132 N137 Y138 | T132-D135 PolarHBondContact O-N 2.96Å; D135-N137 PolarHBondContact O-N 3.1Å; D135-Y138 HydrophobicContact CB-CD2 3.93Å; D135-Y138 HydrophobicContact CB-CE2 4.1Å; D135-Y138 PolarHBondContact O-N 3.46Å | ||
| 136 | T | 58.1 | Low | 44.7 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 85% | 0.853 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | 8.1 | -167.9 | -29.7 | 0 | 0 | 0 | 0 | 114.3 | H134 | H134-T136 PolarHBondContact O-N 3.21Š|
| 137 | N | 49.5 | Very low | 44.4 | Very low | 144 Ų | 144 | 122.8 Ų | 122.8 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -3.6 | 175.7 | -73.2 | -35.3 | 0 | 0 | 0 | 114 | D135 | D135-N137 PolarHBondContact O-N 3.1Š|
| 138 | Y | 43.9 | Very low | 44.1 | Very low | 115 Ų | 115 | 124.1 Ų | 124.1 | 45% | 0.451 | 71% | 0.706 | S | S | . | * | S | Bend | trans | -81.7 | -18.6 | 176.2 | -80.9 | -81.3 | 0 | 0 | 0 | 114.2 | D135 A140 | D135-Y138 HydrophobicContact CB-CD2 3.93Å; D135-Y138 HydrophobicContact CB-CE2 4.1Å; D135-Y138 PolarHBondContact O-N 3.46Å; Y138-A140 VanDerWaalsContact C-N 3.28Å; Y138-A140 PolarHBondContact O-N 2.96Å |
| 139 | H | 46.9 | Very low | 44.3 | Very low | 170 Ų | 170 | 121.8 Ų | 121.8 | 79% | 0.787 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -77.4 | -8.6 | -177.3 | -110.4 | -80.6 | 0 | 0 | 0 | 114.7 | L141 | H139-L141 VanDerWaalsContact C-N 3.34Å; H139-L141 PolarHBondContact O-N 2.76Å |
| 140 | A | 50.7 | Low | 44.1 | Very low | 91 Ų | 91 | 124 Ų | 124 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -83.3 | -4.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y138 | Y138-A140 VanDerWaalsContact C-N 3.28Å; Y138-A140 PolarHBondContact O-N 2.96Å |
| 141 | L | 53 | Low | 44.4 | Very low | 145 Ų | 145 | 122.8 Ų | 122.8 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -104.7 | 0.2 | -174.3 | -68.5 | 176.7 | 0 | 0 | 0 | 115 | H139 | H139-L141 VanDerWaalsContact C-N 3.34Å; H139-L141 PolarHBondContact O-N 2.76Å |
| 142 | L | 49.7 | Very low | 44.7 | Very low | 149 Ų | 149 | 122.3 Ų | 122.3 | 78% | 0.78 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -127.3 | -5.7 | -172.8 | -76.6 | 164.6 | 0 | 0 | 0 | 116.3 | ||
| 143 | N | 40.6 | Very low | 44.5 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | trans | -129.7 | 76.3 | 176.6 | -81.4 | -2.1 | 0 | 0 | 0 | 110.9 | ||||
| 144 | G | 38.2 | Very low | 44.3 | Very low | 67 Ų | 67 | 131.2 Ų | 131.2 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | trans | -130.7 | 66.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | T146 | G144-T146 PolarHBondContact O-N 2.7Š| ||
| 145 | S | 34.5 | Very low | 44 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 87% | 0.867 | 74% | 0.738 | S | S | * | * | trans | -70 | 76.9 | 171.6 | -51.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 146 | T | 42.2 | Very low | 44.2 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | trans | -143.9 | 119.3 | 159.8 | 50.4 | 0 | 0 | 0 | 0 | 108.8 | G144 | G144-T146 PolarHBondContact O-N 2.7Š| ||
| 147 | S | 35.9 | Very low | 43.9 | Very low | 80 Ų | 80 | 133.1 Ų | 133.1 | 56% | 0.559 | 76% | 0.756 | S | S | * | * | trans | -24.5 | 153.2 | 160.7 | -176.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 148 | F | 37.8 | Very low | 43.2 | Very low | 203 Ų | 203 | 134.2 Ų | 134.2 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | trans | 88.5 | 113 | 169.2 | -36.6 | -67.9 | 0 | 0 | 0 | 116.8 | ||||
| 149 | G | 37.7 | Very low | 42.9 | Very low | 71 Ų | 71 | 133.3 Ų | 133.3 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | trans | 112.1 | 75.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | T151 | G149-T151 PolarHBondContact O-N 2.73Å; G149-T151 VanDerWaalsContact O-N 3.09Å | ||
| 150 | S | 37.7 | Very low | 42.4 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -54.8 | 108.1 | 167.2 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 151 | T | 48.4 | Very low | 41.7 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -136.8 | 101.6 | 155.7 | 35.2 | 0 | 0 | 0 | 0 | 108.8 | G149 F153 | G149-T151 PolarHBondContact O-N 2.73Å; G149-T151 VanDerWaalsContact O-N 3.09Å; T151-F153 PolarHBondContact O-N 2.82Å; T151-F153 VanDerWaalsContact O-N 3.1Å | ||
| 152 | V | 49.7 | Very low | 40.9 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | trans | -69.8 | 101.2 | 174.1 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | R154 | V152-R154 HydrophobicContact CG1-CG 4.33Å; V152-R154 PolarHBondContact O-N 2.75Å; V152-R154 VanDerWaalsContact O-N 3.09Å | ||
| 153 | F | 44.4 | Very low | 40.1 | Very low | 195 Ų | 195 | 133.3 Ų | 133.3 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | trans | -68.2 | 101.3 | 162.6 | -91.1 | -85.5 | 0 | 0 | 0 | 108.6 | T151 S155 | T151-F153 PolarHBondContact O-N 2.82Å; T151-F153 VanDerWaalsContact O-N 3.1Å; F153-S155 PolarHBondContact O-N 3.09Å | ||
| 154 | R | 47 | Very low | 39.7 | Very low | 222 Ų | 222 | 136.1 Ų | 136.1 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -73.2 | 116 | 164.2 | -80 | -169.1 | -176.2 | -117.2 | 3.2 | 108.7 | V152 L156 | V152-R154 HydrophobicContact CG1-CG 4.33Å; V152-R154 PolarHBondContact O-N 2.75Å; V152-R154 VanDerWaalsContact O-N 3.09Å; R154-L156 PolarHBondContact O-N 2.94Å | ||
| 155 | S | 40.2 | Very low | 39.9 | Very low | 99 Ų | 99 | 140.4 Ų | 140.4 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | -64.8 | 114.3 | 165.9 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | F153 V157 | F153-S155 PolarHBondContact O-N 3.09Å; S155-V157 PolarHBondContact O-N 3.39Å | ||
| 156 | L | 43 | Very low | 40 | Very low | 176 Ų | 176 | 142.3 Ų | 142.3 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | trans | -90 | 81.7 | 168.2 | -75.8 | 163 | 0 | 0 | 0 | 107.8 | R154 | R154-L156 PolarHBondContact O-N 2.94Š| ||
| 157 | V | 50.5 | Low | 39.5 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | trans | -96.6 | 126 | 159.8 | -79 | 0 | 0 | 0 | 0 | 108.1 | S155 S159 | S155-V157 PolarHBondContact O-N 3.39Å; V157-S159 PolarHBondContact O-N 2.87Å | ||
| 158 | N | 35.2 | Very low | 39.4 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -28.6 | 118.2 | 174.1 | -95.1 | 11.3 | 0 | 0 | 0 | 112.9 | ||||
| 159 | S | 37.2 | Very low | 39.8 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | trans | -128.9 | 71.8 | 166.1 | -162.6 | 0 | 0 | 0 | 0 | 108.4 | V157 | V157-S159 PolarHBondContact O-N 2.87Š| ||
| 160 | E | 36.2 | Very low | 39.9 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | trans | -75.9 | 128 | 145.8 | -73 | 178.2 | 162.1 | 0 | 0 | 105.4 | ||||
| 161 | N | 36.1 | Very low | 40.2 | Very low | 142 Ų | 142 | 145.9 Ų | 145.9 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | 86 | 81 | -177.9 | -43.4 | -49.2 | 0 | 0 | 0 | 116.1 | ||||
| 162 | Q | 37.2 | Very low | 39.9 | Very low | 169 Ų | 169 | 147.9 Ų | 147.9 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -153.5 | 88 | 137.9 | -75.8 | -52.6 | 9.2 | 0 | 0 | 110.4 | ||||
| 163 | S | 31.8 | Very low | 39.6 | Very low | 78 Ų | 78 | 150.6 Ų | 150.6 | 55% | 0.545 | 79% | 0.793 | S | S | . | * | trans | -74.3 | 143.3 | 146.4 | 45.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 164 | Y | 33.5 | Very low | 39.2 | Very low | 205 Ų | 205 | 148.6 Ų | 148.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 89.5 | 122.6 | 169.9 | -42.1 | -68.9 | 0 | 0 | 0 | 116.9 | ||
| 165 | L | 42.2 | Very low | 38.8 | Very low | 158 Ų | 158 | 142.9 Ų | 142.9 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | 84.4 | 94.9 | 159.5 | -47.4 | 173.7 | 0 | 0 | 0 | 117.7 | ||||
| 166 | N | 35.4 | Very low | 38.8 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | -177.7 | 118.4 | 98.8 | -96.1 | -22.6 | 0 | 0 | 0 | 112.8 | |||||
| 167 | S | 32.8 | Very low | 38.9 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -63.3 | 159.7 | 163.7 | -68.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 168 | S | 34.6 | Very low | 38.5 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 86.2 | 98.4 | 150.3 | -49.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 169 | T | 44.7 | Very low | 39 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | -161.8 | 97.8 | 115.2 | -60.4 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 170 | N | 39.6 | Very low | 39.5 | Very low | 153 Ų | 153 | 146.3 Ų | 146.3 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -86.1 | 129 | 160.2 | -79.8 | -29.2 | 0 | 0 | 0 | 107.8 | ||||
| 171 | M | 45.1 | Very low | 39.9 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | trans | -143.6 | 96.2 | 155.5 | -81.3 | -68.1 | 158.5 | 0 | 0 | 108 | ||||
| 172 | L | 42 | Very low | 40.3 | Very low | 162 Ų | 162 | 146 Ų | 146 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -76.4 | 133.2 | 164.2 | -83.5 | 156.2 | 0 | 0 | 0 | 108.6 | ||||
| 173 | M | 43.3 | Very low | 40.5 | Very low | 179 Ų | 179 | 142.9 Ų | 142.9 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -120.6 | 111.3 | 158.5 | -70 | -72.8 | -177.2 | 0 | 0 | 107.4 | ||||
| 174 | N | 35.8 | Very low | 41.5 | Very low | 152 Ų | 152 | 146 Ų | 146 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -87.9 | 167.6 | -176.7 | -158.6 | 16 | 0 | 0 | 0 | 110.3 | ||||
| 175 | S | 39.3 | Very low | 42 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | 117.7 | 93.8 | 153.8 | 68.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 176 | S | 39.3 | Very low | 42.5 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | 49.9 | 128.5 | 123.1 | -50.9 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 177 | L | 46 | Very low | 42.9 | Very low | 175 Ų | 175 | 139.4 Ų | 139.4 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | -174.4 | 113.7 | 115.5 | -92.8 | 154.3 | 0 | 0 | 0 | 110.6 | |||||
| 178 | D | 42.1 | Very low | 43.6 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -66.7 | 143.9 | 162 | -63.6 | -64.9 | 0 | 0 | 0 | 110.7 | ||||
| 179 | N | 45.5 | Very low | 44.2 | Very low | 144 Ų | 144 | 142.2 Ų | 142.2 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -156.5 | 97.8 | 153 | -145.3 | 13.7 | 0 | 0 | 0 | 114.7 | ||||
| 180 | I | 47.7 | Very low | 44.4 | Very low | 138 Ų | 138 | 141.3 Ų | 141.3 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | 57.4 | 107.7 | 127.3 | -55.9 | 179.1 | 0 | 0 | 0 | 120.5 | |||||
| 181 | N | 43.5 | Very low | 44.8 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | 21.1 | 130.2 | 126.8 | -58 | -26.6 | 0 | 0 | 0 | 120.4 | |||||
| 182 | N | 44.5 | Very low | 45 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | -166.5 | 121.3 | 115 | -120.1 | -8.4 | 0 | 0 | 0 | 112.9 | |||||
| 183 | S | 41.7 | Very low | 45.4 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -78.6 | 147.1 | 164.2 | -48.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 184 | N | 52.3 | Low | 46.1 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | -170.4 | 100.8 | 150.8 | -87.9 | -25 | 0 | 0 | 0 | 110.6 | ||||
| 185 | D | 44.8 | Very low | 46.6 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | 50.4 | 141.4 | 121.9 | -73.9 | -19.6 | 0 | 0 | 0 | 125.6 | |||||
| 186 | H | 51.8 | Low | 46.5 | Very low | 164 Ų | 164 | 135.2 Ų | 135.2 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | trans | 86.9 | 93.1 | 140.6 | -94.2 | -72.1 | 0 | 0 | 0 | 121.7 | ||||
| 187 | S | 45.5 | Very low | 46.7 | Very low | 82 Ų | 82 | 136.8 Ų | 136.8 | 57% | 0.573 | 75% | 0.748 | S | S | * | * | 25.6 | 135 | 125.9 | 69.3 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 188 | T | 46.6 | Very low | 46.3 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | 129.6 | 127.1 | 127.5 | 61.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 189 | L | 46.3 | Very low | 46.6 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | trans | 79 | 119 | 144.1 | -67.6 | 160.2 | 0 | 0 | 0 | 119.7 | ||||
| 190 | N | 49.9 | Very low | 46.3 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 61% | 0.61 | 74% | 0.735 | S | S | * | * | 78.1 | 109 | 122.5 | -158.9 | 53.6 | 0 | 0 | 0 | 117.5 | |||||
| 191 | D | 47.4 | Very low | 46 | Very low | 137 Ų | 137 | 130.4 Ų | 130.4 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | -173.8 | 136.9 | 97.4 | -102.9 | -44 | 0 | 0 | 0 | 111.2 | |||||
| 192 | N | 50.8 | Low | 46.1 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | trans | -62.4 | 153.5 | 167.8 | -64.1 | -65.5 | 0 | 0 | 0 | 110 | ||||
| 193 | N | 49.7 | Very low | 46.2 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | 160.9 | 140.1 | 129 | -79.7 | -35 | 0 | 0 | 0 | 111.7 | |||||
| 194 | N | 58.3 | Low | 46.5 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | trans | 74.6 | 142.1 | 159.5 | -43.1 | -32.2 | 0 | 0 | 0 | 115.5 | ||||
| 195 | D | 46.3 | Very low | 46.1 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | cis | -171.9 | 146.4 | -10.5 | -113.2 | -35.7 | 0 | 0 | 0 | 104.4 | ||||
| 196 | C | 36 | Very low | 46.3 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | trans | -78.8 | 123.7 | 158.1 | 65.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 197 | I | 44.6 | Very low | 46.3 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | -171 | 130.1 | 157.9 | -95.3 | 141.1 | 0 | 0 | 0 | 107.5 | ||||
| 198 | G | 37.9 | Very low | 46.6 | Very low | 76 Ų | 76 | 133.1 Ų | 133.1 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | -67.4 | 133 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 199 | Q | 46.9 | Very low | 46.9 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | trans | -144.6 | 113.5 | 157 | -63.6 | -171.7 | 12.1 | 0 | 0 | 105.6 | ||||
| 200 | S | 40.4 | Very low | 47.6 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | 56.9 | 115.4 | 89.1 | -158.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 201 | L | 40.9 | Very low | 48.7 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | trans | 50.4 | 88.8 | 161.7 | -76.5 | 84.9 | 0 | 0 | 0 | 117 | Q203 | L201-Q203 PolarHBondContact O-N 3.46Š| ||
| 202 | R | 46.2 | Very low | 50.3 | Low | 250 Ų | 250 | 134.3 Ų | 134.3 | 94% | 0.943 | 77% | 0.765 | S | S | * | * | trans | -92 | 79.7 | 148.8 | -60.9 | -169.7 | 96.2 | -166.6 | 6.7 | 108.8 | S204 | R202-S204 VanDerWaalsContact C-N 3.29Å; R202-S204 PolarHBondContact O-N 3.32Å; R202-S204 VanDerWaalsContact O-N 3.12Å | ||
| 203 | Q | 46.4 | Very low | 51.9 | Low | 176 Ų | 176 | 132.4 Ų | 132.4 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | -64.9 | 97.2 | 151.7 | -103.6 | 176.6 | 0.6 | 0 | 0 | 106.3 | L201 G205 | L201-Q203 PolarHBondContact O-N 3.46Å; Q203-G205 VanDerWaalsContact C-N 3.34Å; Q203-G205 PolarHBondContact O-N 2.92Å; Q203-G205 VanDerWaalsContact O-N 3.12Å | ||
| 204 | S | 47.9 | Very low | 53.6 | Low | 120 Ų | 120 | 130.4 Ų | 130.4 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | trans | -76.1 | 95.3 | 165.2 | -159.2 | 0 | 0 | 0 | 0 | 106.9 | R202 | R202-S204 VanDerWaalsContact C-N 3.29Å; R202-S204 PolarHBondContact O-N 3.32Å; R202-S204 VanDerWaalsContact O-N 3.12Å | ||
| 205 | G | 44.5 | Very low | 55.1 | Low | 54 Ų | 54 | 129.6 Ų | 129.6 | 56% | 0.557 | 74% | 0.737 | S | S | * | * | trans | -63.6 | 136.3 | 163 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q203 | Q203-G205 VanDerWaalsContact C-N 3.34Å; Q203-G205 PolarHBondContact O-N 2.92Å; Q203-G205 VanDerWaalsContact O-N 3.12Å | ||
| 206 | N | 48.7 | Very low | 57.2 | Low | 165 Ų | 165 | 129.1 Ų | 129.1 | 88% | 0.882 | 74% | 0.741 | S | S | * | * | trans | 156.5 | 84.5 | 135.2 | -83.7 | -9.4 | 0 | 0 | 0 | 110.7 | ||||
| 207 | S | 51.1 | Low | 59.8 | Low | 122 Ų | 122 | 133.4 Ų | 133.4 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | -164.3 | 108.2 | 133 | 40.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 208 | S | 52.3 | Low | 61.9 | Low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | trans | -62.7 | 148.8 | 173.2 | 35.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 209 | E | 51.8 | Low | 63.9 | Low | 191 Ų | 191 | 130.3 Ų | 130.3 | 89% | 0.893 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 76 | 62.4 | 157.9 | -69 | 174 | 150.9 | 0 | 0 | 119.7 | ||
| 210 | S | 62.1 | Low | 65 | Low | 99 Ų | 99 | 126.1 Ų | 126.1 | 69% | 0.692 | 69% | 0.694 | S | S | * | * | -160.3 | 120.2 | 127.2 | 51.4 | 0 | 0 | 0 | 0 | 108.6 | V212 | S210-V212 PolarHBondContact O-N 3.11Š| |||
| 211 | N | 71.9 | Confident | 66.2 | Low | 165 Ų | 165 | 129.5 Ų | 129.5 | 88% | 0.882 | 70% | 0.696 | S | S | * | * | trans | -79.3 | 65.3 | -178.2 | -159.5 | -37.5 | 0 | 0 | 0 | 109.9 | ||||
| 212 | V | 81 | Confident | 67.1 | Low | 95 Ų | 95 | 126.8 Ų | 126.8 | 58% | 0.576 | 70% | 0.701 | S | S | * | * | trans | -93.3 | 113.7 | 177 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | S210 V214 | S210-V212 PolarHBondContact O-N 3.11Å; V212-V214 PolarHBondContact O-N 3.34Å | ||
| 213 | V | 85.5 | Confident | 67.8 | Low | 88 Ų | 88 | 119.1 Ų | 119.1 | 53% | 0.533 | 68% | 0.682 | S | S | . | * | trans | -67.8 | 109.6 | 171.4 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | Y215 | V213-Y215 HydrophobicContact CG1-CD1 4.38Å; V213-Y215 HydrophobicContact CG1-CE1 3.94Å; V213-Y215 HydrophobicContact CG1-CE2 4.22Å | ||
| 214 | V | 84 | Confident | 68.4 | Low | 92 Ų | 92 | 118.3 Ų | 118.3 | 56% | 0.558 | 68% | 0.684 | S | S | * | * | trans | -91.7 | 111 | 173.9 | -178.3 | 0 | 0 | 0 | 0 | 109 | V212 M218 | V212-V214 PolarHBondContact O-N 3.34Å; V214-M218 HydrophobicContact CG1-CB 3.84Å | ||
| 215 | Y | 91.6 | Very high | 69.1 | Low | 125 Ų | 125 | 116.3 Ų | 116.3 | 49% | 0.49 | 66% | 0.662 | S | S | . | * | trans | -76.4 | 157 | 176.5 | -63.9 | -76.2 | 0 | 0 | 0 | 111.9 | V213 W217 M218 | V213-Y215 HydrophobicContact CG1-CD1 4.38Å; V213-Y215 HydrophobicContact CG1-CE1 3.94Å; V213-Y215 HydrophobicContact CG1-CE2 4.22Å; Y215-W217 AromaticContact CD2-CZ2 3.99Å; Y215-W217 HydrophobicContact CD2-CZ2 3.99Å; Y215-W217 AromaticContact CD2-NE1 3.96Å; Y215-W217 AromaticContact CG-NE1 3.68Å; Y215-W217 PolarHBondContact O-N 3.21Å; Y215-W217 VanDerWaalsContact O-N 3.12Å; Y215-M218 HydrophobicContact CD2-SD 3.66Å; Y215-M218 HydrophobicContact CG-SD 4.36Å; Y215-M218 PolarHBondContact N-SD 3.29Å; Y215-M218 WeakPolarHBondContact O-CA 3.3Å; Y215-M218 VanDerWaalsContact O-CB 3.29Å; Y215-M218 WeakPolarHBondContact O-CB 3.29Å; Y215-M218 PolarHBondContact O-N 3Å | ||
| 216 | P | 88.6 | Confident | 69.5 | Low | 122 Ų | 122 | 117 Ų | 117 | 79% | 0.792 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -54.4 | -34.4 | -179.3 | -29.2 | 36.2 | 0 | 0 | 0 | 115 | M218 N219 | P216-M218 VanDerWaalsContact C-N 3.28Å; P216-M218 PolarHBondContact O-N 2.94Å; P216-N219 PolarHBondContact O-N 3.33Å |
| 217 | W | 91.6 | Very high | 70.2 | Confident | 206 Ų | 206 | 115 Ų | 115 | 78% | 0.78 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -72.3 | -19.5 | 176.3 | 61.5 | -98 | 0 | 0 | 0 | 113.6 | Y215 N219 | Y215-W217 AromaticContact CD2-CZ2 3.99Å; Y215-W217 HydrophobicContact CD2-CZ2 3.99Å; Y215-W217 AromaticContact CD2-NE1 3.96Å; Y215-W217 AromaticContact CG-NE1 3.68Å; Y215-W217 PolarHBondContact O-N 3.21Å; Y215-W217 VanDerWaalsContact O-N 3.12Å; W217-N219 VanDerWaalsContact C-N 3.35Å |
| 218 | M | 88.5 | Confident | 70.5 | Confident | 78 Ų | 78 | 116.1 Ų | 116.1 | 38% | 0.384 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -84 | -12 | 176.8 | -63.7 | 174.3 | 77.6 | 0 | 0 | 112.4 | V214 Y215 P216 P220 | V214-M218 HydrophobicContact CG1-CB 3.84Å; Y215-M218 HydrophobicContact CD2-SD 3.66Å; Y215-M218 HydrophobicContact CG-SD 4.36Å; Y215-M218 PolarHBondContact N-SD 3.29Å; Y215-M218 WeakPolarHBondContact O-CA 3.3Å; Y215-M218 VanDerWaalsContact O-CB 3.29Å; Y215-M218 WeakPolarHBondContact O-CB 3.29Å; Y215-M218 PolarHBondContact O-N 3Å; P216-M218 VanDerWaalsContact C-N 3.28Å; P216-M218 PolarHBondContact O-N 2.94Å; M218-P220 WeakPolarHBondContact O-CD 3.11Å |
| 219 | N | 79.3 | Confident | 71 | Confident | 75 Ų | 75 | 117.1 Ų | 117.1 | 40% | 0.401 | 64% | 0.641 | S | S | . | * | trans | -86.9 | 106.9 | -174.9 | -166.2 | 10.5 | 0 | 0 | 0 | 110.1 | P216 W217 K221 | P216-N219 PolarHBondContact O-N 3.33Å; W217-N219 VanDerWaalsContact C-N 3.35Å; N219-K221 PolarHBondContact O-N 3.28Å; N219-K221 VanDerWaalsContact OD1-CB 3.3Å; N219-K221 WeakPolarHBondContact OD1-CB 3.08Å; N219-K221 VanDerWaalsContact OD1-CD 3.29Å; N219-K221 WeakPolarHBondContact OD1-CD 3.4Å; N219-K221 WeakPolarHBondContact OD1-CG 3.47Å; N219-K221 PolarHBondContact OD1-N 3.17Å | ||
| 220 | P | 71.6 | Confident | 71.8 | Confident | 79 Ų | 79 | 117.3 Ų | 117.3 | 51% | 0.513 | 64% | 0.64 | S | S | . | * | G | 310 helix | trans | -66.3 | -8 | 177.2 | 28.7 | -35.3 | 0 | 0 | 0 | 112.8 | M218 G222 T223 V227 | M218-P220 WeakPolarHBondContact O-CD 3.11Å; P220-G222 PolarHBondContact O-N 3.04Å; P220-T223 PolarHBondContact O-N 3Å; P220-T223 PolarHBondContact O-OG1 3.31Å; P220-V227 HydrophobicContact CG-CG1 4.49Å |
| 221 | K | 64.6 | Low | 72.4 | Confident | 172 Ų | 172 | 123.7 Ų | 123.7 | 75% | 0.748 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -71.9 | 6.2 | -175.6 | -59.4 | 176.6 | -174.9 | -178.2 | 0 | 115.3 | N219 | N219-K221 PolarHBondContact O-N 3.28Å; N219-K221 VanDerWaalsContact OD1-CB 3.3Å; N219-K221 WeakPolarHBondContact OD1-CB 3.08Å; N219-K221 VanDerWaalsContact OD1-CD 3.29Å; N219-K221 WeakPolarHBondContact OD1-CD 3.4Å; N219-K221 WeakPolarHBondContact OD1-CG 3.47Å; N219-K221 PolarHBondContact OD1-N 3.17Å |
| 222 | G | 60.5 | Low | 73.2 | Confident | 80 Ų | 80 | 122.4 Ų | 122.4 | 83% | 0.825 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -73.4 | -11.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P220 | P220-G222 PolarHBondContact O-N 3.04Š|
| 223 | T | 61.2 | Low | 73.7 | Confident | 89 Ų | 89 | 128.9 Ų | 128.9 | 55% | 0.546 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -114.3 | 110.8 | 166.9 | 40 | 0 | 0 | 0 | 0 | 107.5 | P220 I225 | P220-T223 PolarHBondContact O-N 3Å; P220-T223 PolarHBondContact O-OG1 3.31Å; T223-I225 PolarHBondContact O-N 3.15Å |
| 224 | D | 57.9 | Low | 74.1 | Confident | 160 Ų | 160 | 131.7 Ų | 131.7 | 86% | 0.856 | 67% | 0.668 | S | S | * | * | trans | -63 | 24.9 | 172.7 | 57.5 | -23.6 | 0 | 0 | 0 | 114 | ||||
| 225 | I | 62.5 | Low | 74.7 | Confident | 77 Ų | 77 | 133 Ų | 133 | 40% | 0.395 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -121.4 | 112.4 | -174.1 | -49.3 | -178.7 | 0 | 0 | 0 | 106.3 | T223 Q229 | T223-I225 PolarHBondContact O-N 3.15Å; I225-Q229 HydrophobicContact CG2-CB 3.43Å; I225-Q229 VanDerWaalsContact CG2-CB 3.43Å; I225-Q229 VanDerWaalsContact CG2-CD 3.47Å; I225-Q229 HydrophobicContact CG2-CG 3.89Å |
| 226 | S | 54.2 | Low | 75 | Confident | 70 Ų | 70 | 130 Ų | 130 | 49% | 0.49 | 67% | 0.665 | S | S | . | * | trans | -21 | 132.3 | 173 | -174.2 | 0 | 0 | 0 | 0 | 113.4 | D228 Q229 | S226-D228 PolarHBondContact O-N 3.12Å; S226-Q229 PolarHBondContact O-N 3.31Å | ||
| 227 | V | 61.7 | Low | 75.5 | Confident | 121 Ų | 121 | 127.9 Ų | 127.9 | 73% | 0.733 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48 | -10.5 | -177.9 | -104.6 | 0 | 0 | 0 | 0 | 115.5 | P220 | P220-V227 HydrophobicContact CG-CG1 4.49Š|
| 228 | D | 58.7 | Low | 75.8 | Confident | 147 Ų | 147 | 128 Ų | 128 | 79% | 0.786 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -5.5 | 174.6 | -58.3 | -51.4 | 0 | 0 | 0 | 115.2 | S226 | S226-D228 PolarHBondContact O-N 3.12Š|
| 229 | Q | 62.7 | Low | 76.3 | Confident | 128 Ų | 128 | 130.2 Ų | 130.2 | 60% | 0.598 | 66% | 0.655 | S | S | * | * | trans | -107.6 | 34.1 | -175 | -60 | -165.3 | 6.8 | 0 | 0 | 113.6 | I225 S226 R231 | I225-Q229 HydrophobicContact CG2-CB 3.43Å; I225-Q229 VanDerWaalsContact CG2-CB 3.43Å; I225-Q229 VanDerWaalsContact CG2-CD 3.47Å; I225-Q229 HydrophobicContact CG2-CG 3.89Å; S226-Q229 PolarHBondContact O-N 3.31Å; Q229-R231 PolarHBondContact O-N 3.37Å | ||
| 230 | K | 67.2 | Low | 77.2 | Confident | 196 Ų | 196 | 127.3 Ų | 127.3 | 85% | 0.852 | 64% | 0.639 | S | S | * | * | trans | -62.2 | 93.4 | 167.8 | -163.7 | 174.6 | -177.1 | -172.4 | 0 | 107.7 | T232 | K230-T232 PolarHBondContact O-N 3.49Š| ||
| 231 | R | 75.5 | Confident | 78.5 | Confident | 232 Ų | 232 | 126.1 Ų | 126.1 | 88% | 0.875 | 63% | 0.63 | S | S | * | * | trans | -45.2 | 112 | -175.7 | -80.6 | 179.8 | 158.7 | -157.8 | -4.7 | 109.4 | Q229 R233 | Q229-R231 PolarHBondContact O-N 3.37Å; R231-R233 PolarHBondContact O-N 3.13Å | ||
| 232 | T | 88.2 | Confident | 80.1 | Confident | 139 Ų | 139 | 122.5 Ų | 122.5 | 85% | 0.853 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -56 | 131.3 | 176.9 | -58.8 | 0 | 0 | 0 | 0 | 108.9 | K230 Q234 | K230-T232 PolarHBondContact O-N 3.49Å; T232-Q234 PolarHBondContact O-N 3.47Å |
| 233 | R | 91.2 | Very high | 81.9 | Confident | 230 Ų | 230 | 120.9 Ų | 120.9 | 87% | 0.868 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 123.7 | 175.2 | -69.3 | -176.4 | -178.6 | -82.2 | 1.1 | 108.7 | R231 | R231-R233 PolarHBondContact O-N 3.13Š|
| 234 | Q | 94.2 | Very high | 83.7 | Confident | 147 Ų | 147 | 116.7 Ų | 116.7 | 69% | 0.687 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 132.6 | 167.7 | -174.9 | 176.8 | 11.4 | 0 | 0 | 109.2 | T232 | T232-Q234 PolarHBondContact O-N 3.47Š|
| 235 | T | 97 | Very high | 85.7 | Confident | 120 Ų | 120 | 111.5 Ų | 111.5 | 74% | 0.736 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -95.3 | 148.3 | 170.8 | 55.2 | 0 | 0 | 0 | 0 | 110 | ||
| 236 | Y | 98.5 | Very high | 87.4 | Confident | 62 Ų | 62 | 113.4 Ų | 113.4 | 24% | 0.243 | 54% | 0.54 | C | S | . | . | P | Polyproline II helix | trans | -78 | 149 | 172.4 | -60.7 | -27.7 | 0 | 0 | 0 | 110.5 | Q240 L244 L268 Q272 W276 | Y236-Q240 VanDerWaalsContact CA-OE1 3.25Å; Y236-L244 HydrophobicContact CD2-CD1 4.02Å; Y236-L244 HydrophobicContact CE2-CD1 4.2Å; Y236-L268 HydrophobicContact CD1-CD1 4.31Å; Y236-L268 HydrophobicContact CD1-CD2 3.89Å; Y236-L268 HydrophobicContact CE1-CD1 4.15Å; Y236-L268 HydrophobicContact CE1-CD2 3.64Å; Y236-L268 HydrophobicContact CE2-CD1 4.5Å; Y236-Q272 WeakPolarHBondContact OH-CB 3.29Å; Y236-W276 HydrophobicContact CE2-CB 4.37Å; Y236-W276 AromaticContact CE2-CD1 3.62Å; Y236-W276 HydrophobicContact CE2-CG 4.24Å |
| 237 | T | 98.6 | Very high | 89.5 | Confident | 77 Ų | 77 | 110.8 Ų | 110.8 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 161.6 | 174.3 | 72.6 | 0 | 0 | 0 | 0 | 110.5 | Y239 Q240 T241 | T237-Y239 VanDerWaalsContact C-N 3.25Å; T237-Y239 PolarHBondContact O-N 3.07Å; T237-Q240 PolarHBondContact O-N 2.85Å; T237-Q240 WeakPolarHBondContact OG1-CG 3.49Å; T237-Q240 PolarHBondContact OG1-N 2.94Å; T237-Q240 VanDerWaalsContact OG1-N 3.15Å; T237-T241 PolarHBondContact O-N 3.09Å; T237-T241 PolarHBondContact O-OG1 3.13Å |
| 238 | R | 98.6 | Very high | 91.3 | Very high | 209 Ų | 209 | 105.9 Ų | 105.9 | 79% | 0.789 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -55.9 | -42.7 | 174 | -174.1 | 177.4 | -179.3 | -133.4 | 0.3 | 111.7 | T241 L242 | R238-T241 PolarHBondContact O-N 2.9Å; R238-L242 HydrophobicContact CG-CD1 4.14Å; R238-L242 WeakPolarHBondContact O-CG 3.33Å; R238-L242 PolarHBondContact O-N 2.99Å |
| 239 | Y | 98.6 | Very high | 93.1 | Very high | 124 Ų | 124 | 104.9 Ų | 104.9 | 49% | 0.486 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.8 | -49 | 176.9 | 172.7 | -106.9 | 0 | 0 | 0 | 112.1 | T237 T241 L242 E243 L266 | T237-Y239 VanDerWaalsContact C-N 3.25Å; T237-Y239 PolarHBondContact O-N 3.07Å; Y239-T241 VanDerWaalsContact C-N 3.27Å; Y239-T241 PolarHBondContact O-N 2.94Å; Y239-L242 PolarHBondContact O-N 3.18Å; Y239-E243 HydrophobicContact CD2-CG 4.26Å; Y239-E243 HydrophobicContact CE1-CG 4.43Å; Y239-E243 HydrophobicContact CE2-CG 3.69Å; Y239-E243 PolarHBondContact O-N 3.01Å; Y239-L266 HydrophobicContact CD1-CD2 4.24Å; Y239-L266 HydrophobicContact CE1-CD2 3.67Å |
| 240 | Q | 98.7 | Very high | 94.8 | Very high | 14 Ų | 14 | 106.6 Ų | 106.6 | 7% | 0.065 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -57 | -43.8 | 176.9 | -74 | 172.2 | -27.3 | 0 | 0 | 111.5 | Y236 T237 L244 L266 | Y236-Q240 VanDerWaalsContact CA-OE1 3.25Å; T237-Q240 PolarHBondContact O-N 2.85Å; T237-Q240 WeakPolarHBondContact OG1-CG 3.49Å; T237-Q240 PolarHBondContact OG1-N 2.94Å; T237-Q240 VanDerWaalsContact OG1-N 3.15Å; Q240-L244 WeakPolarHBondContact O-CB 3.31Å; Q240-L244 WeakPolarHBondContact O-CD1 3.49Å; Q240-L244 WeakPolarHBondContact O-CG 3.32Å; Q240-L244 PolarHBondContact O-N 2.85Å; Q240-L266 HydrophobicContact CG-CB 4.27Å; Q240-L266 PolarHBondContact NE2-O 3.46Å |
| 241 | T | 98.6 | Very high | 96.3 | Very high | 54 Ų | 54 | 100.6 Ų | 100.6 | 33% | 0.331 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.6 | -43.4 | -179.1 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | T237 R238 Y239 L244 E245 | T237-T241 PolarHBondContact O-N 3.09Å; T237-T241 PolarHBondContact O-OG1 3.13Å; R238-T241 PolarHBondContact O-N 2.9Å; Y239-T241 VanDerWaalsContact C-N 3.27Å; Y239-T241 PolarHBondContact O-N 2.94Å; T241-L244 PolarHBondContact O-N 3.45Å; T241-E245 WeakPolarHBondContact O-CG 3.37Å; T241-E245 PolarHBondContact O-N 2.88Å |
| 242 | L | 98.6 | Very high | 97.3 | Very high | 97 Ų | 97 | 93.7 Ų | 93.7 | 51% | 0.508 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 178.9 | -74.3 | 172.6 | 0 | 0 | 0 | 112.6 | R238 Y239 E245 K246 | R238-L242 HydrophobicContact CG-CD1 4.14Å; R238-L242 WeakPolarHBondContact O-CG 3.33Å; R238-L242 PolarHBondContact O-N 2.99Å; Y239-L242 PolarHBondContact O-N 3.18Å; L242-E245 PolarHBondContact O-N 2.83Å; L242-K246 VanDerWaalsContact O-CB 3.27Å; L242-K246 WeakPolarHBondContact O-CB 3.3Å; L242-K246 PolarHBondContact O-N 3.08Å |
| 243 | E | 98.7 | Very high | 97.8 | Very high | 46 Ų | 46 | 96.3 Ų | 96.3 | 22% | 0.215 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -68.3 | -37.5 | 178 | -70.4 | -58.8 | 126.4 | 0 | 0 | 111.8 | Y239 K246 E247 L266 | Y239-E243 HydrophobicContact CD2-CG 4.26Å; Y239-E243 HydrophobicContact CE1-CG 4.43Å; Y239-E243 HydrophobicContact CE2-CG 3.69Å; Y239-E243 PolarHBondContact O-N 3.01Å; E243-K246 PolarHBondContact O-N 3.25Å; E243-K246 IonicContact OE1-NZ 2.79Å; E243-K246 IonicContact OE2-NZ 3.8Å; E243-K246 PolarHBondContact OE2-NZ 2.9Å; E243-E247 WeakPolarHBondContact O-CB 3.43Å; E243-E247 VanDerWaalsContact O-CG 3.29Å; E243-E247 WeakPolarHBondContact O-CG 3.41Å; E243-E247 PolarHBondContact O-N 3.36Å; E243-L266 HydrophobicContact CB-CD1 4.11Å; E243-L266 HydrophobicContact CB-CD2 3.74Å; E243-L266 HydrophobicContact CB-CG 4.49Å; E243-L266 HydrophobicContact CG-CD2 4.02Å |
| 244 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 86.8 Ų | 86.8 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.9 | -46 | 173.5 | -74.8 | 168.2 | 0 | 0 | 0 | 111.9 | Y236 Q240 T241 E247 F248 I262 L266 L268 I273 W276 F277 | Y236-L244 HydrophobicContact CD2-CD1 4.02Å; Y236-L244 HydrophobicContact CE2-CD1 4.2Å; Q240-L244 WeakPolarHBondContact O-CB 3.31Å; Q240-L244 WeakPolarHBondContact O-CD1 3.49Å; Q240-L244 WeakPolarHBondContact O-CG 3.32Å; Q240-L244 PolarHBondContact O-N 2.85Å; T241-L244 PolarHBondContact O-N 3.45Å; L244-E247 PolarHBondContact O-N 3.34Å; L244-F248 WeakPolarHBondContact O-CB 3.43Å; L244-F248 PolarHBondContact O-N 2.84Å; L244-I262 HydrophobicContact CD2-CG2 4.31Å; L244-L266 HydrophobicContact CD1-CD1 4.49Å; L244-L266 HydrophobicContact CD2-CD1 4.01Å; L244-L266 HydrophobicContact CG-CD1 3.75Å; L244-L268 HydrophobicContact CD1-CD1 4.3Å; L244-I273 HydrophobicContact CD2-CD1 3.8Å; L244-W276 VanDerWaalsContact C-CH2 3.45Å; L244-W276 HydrophobicContact CB-CD2 3.91Å; L244-W276 HydrophobicContact CB-CE3 3.93Å; L244-W276 HydrophobicContact CB-CH2 3.68Å; L244-W276 HydrophobicContact CB-CZ2 3.63Å; L244-W276 HydrophobicContact CB-CZ3 3.83Å; L244-W276 HydrophobicContact CD1-CD2 3.84Å; L244-W276 HydrophobicContact CD1-CE3 4.48Å; L244-W276 HydrophobicContact CD1-CG 3.85Å; L244-W276 HydrophobicContact CD2-CD2 4.15Å; L244-W276 HydrophobicContact CD2-CE3 3.99Å; L244-W276 HydrophobicContact CG-CD2 4.19Å; L244-W276 HydrophobicContact CG-CE3 4.36Å; L244-W276 WeakPolarHBondContact O-CH2 3.47Å; L244-W276 WeakPolarHBondContact O-CZ3 3.49Å; L244-F277 HydrophobicContact CD2-CE2 4.26Å |
| 245 | E | 98.7 | Very high | 98.4 | Very high | 52 Ų | 52 | 83.8 Ų | 83.8 | 24% | 0.243 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 175.9 | -74.7 | -65.9 | 175.9 | 0 | 0 | 111 | T241 L242 E247 F248 H249 W276 R280 | T241-E245 WeakPolarHBondContact O-CG 3.37Å; T241-E245 PolarHBondContact O-N 2.88Å; L242-E245 PolarHBondContact O-N 2.83Å; E245-E247 VanDerWaalsContact C-N 3.29Å; E245-E247 PolarHBondContact O-N 2.94Å; E245-F248 WeakPolarHBondContact O-CB 3.48Å; E245-F248 PolarHBondContact O-N 2.95Å; E245-F248 VanDerWaalsContact O-N 3.08Å; E245-H249 PolarHBondContact O-N 3.44Å; E245-H249 PolarHBondContact O-ND1 3.37Å; E245-H249 IonicContact OE2-CE1 3.56Å; E245-H249 IonicContact OE2-ND1 3.96Å; E245-W276 HydrophobicContact CG-CH2 4.25Å; E245-W276 HydrophobicContact CG-CZ2 4.09Å; E245-R280 IonicContact OE1-NE 3.12Å; E245-R280 PolarHBondContact OE1-NE 3.27Å; E245-R280 VanDerWaalsContact OE1-NE 3.12Å; E245-R280 IonicContact OE2-CZ 3.95Å; E245-R280 IonicContact OE2-NE 3.15Å; E245-R280 PolarHBondContact OE2-NE 3.14Å; E245-R280 VanDerWaalsContact OE2-NE 3.15Å; E245-R280 IonicContact OE2-NH2 3.84Å |
| 246 | K | 98.5 | Very high | 98.4 | Very high | 116 Ų | 116 | 85.9 Ų | 85.9 | 50% | 0.504 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -53.7 | -45.9 | 175.8 | 173.8 | -177.1 | 159.6 | -157.8 | 0 | 111.9 | L242 E243 H249 F250 | L242-K246 VanDerWaalsContact O-CB 3.27Å; L242-K246 WeakPolarHBondContact O-CB 3.3Å; L242-K246 PolarHBondContact O-N 3.08Å; E243-K246 PolarHBondContact O-N 3.25Å; E243-K246 IonicContact OE1-NZ 2.79Å; E243-K246 IonicContact OE2-NZ 3.8Å; E243-K246 PolarHBondContact OE2-NZ 2.9Å; K246-H249 PolarHBondContact O-N 3.34Å; K246-F250 PolarHBondContact O-N 3.35Å |
| 247 | E | 98.5 | Very high | 98.4 | Very high | 16 Ų | 16 | 91.4 Ų | 91.4 | 8% | 0.075 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 176.3 | -72.2 | -63.7 | 137.9 | 0 | 0 | 112.8 | E243 L244 E245 H249 F250 N251 R258 I262 F277 | E243-E247 WeakPolarHBondContact O-CB 3.43Å; E243-E247 VanDerWaalsContact O-CG 3.29Å; E243-E247 WeakPolarHBondContact O-CG 3.41Å; E243-E247 PolarHBondContact O-N 3.36Å; L244-E247 PolarHBondContact O-N 3.34Å; E245-E247 VanDerWaalsContact C-N 3.29Å; E245-E247 PolarHBondContact O-N 2.94Å; E247-H249 VanDerWaalsContact C-N 3.3Å; E247-H249 PolarHBondContact O-N 3.2Å; E247-F250 WeakPolarHBondContact O-CB 3.33Å; E247-F250 PolarHBondContact O-N 3.03Å; E247-N251 PolarHBondContact O-N 3.05Å; E247-R258 IonicContact OE1-CZ 3.47Å; E247-R258 IonicContact OE1-NE 3.81Å; E247-R258 IonicContact OE1-NH2 2.72Å; E247-R258 PolarHBondContact OE1-NH2 3.31Å; E247-R258 IonicContact OE2-CZ 3.64Å; E247-R258 IonicContact OE2-NE 3.83Å; E247-R258 PolarHBondContact OE2-NE 2.69Å; E247-R258 IonicContact OE2-NH2 2.66Å; E247-R258 PolarHBondContact OE2-NH2 3.28Å; E247-R258 VanDerWaalsContact OE2-NH2 3.13Å; E247-I262 HydrophobicContact CB-CD1 4Å; E247-I262 HydrophobicContact CG-CD1 3.63Å; E247-I262 HydrophobicContact CG-CG1 4.15Å; E247-F277 HydrophobicContact CB-CZ 4.1Å |
| 248 | F | 98.6 | Very high | 98.4 | Very high | 18 Ų | 18 | 91.2 Ų | 91.2 | 8% | 0.079 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.1 | -34.1 | 175.4 | -175.1 | -107.1 | 0 | 0 | 0 | 112.7 | L244 E245 N251 K252 W276 F277 R280 | L244-F248 WeakPolarHBondContact O-CB 3.43Å; L244-F248 PolarHBondContact O-N 2.84Å; E245-F248 WeakPolarHBondContact O-CB 3.48Å; E245-F248 PolarHBondContact O-N 2.95Å; E245-F248 VanDerWaalsContact O-N 3.08Å; F248-N251 CarbonylContact O-C 3.38Å; F248-K252 HydrophobicContact CD1-CD 4.07Å; F248-K252 VanDerWaalsContact CD1-NZ 3.25Å; F248-K252 HydrophobicContact CD2-CD 4.15Å; F248-K252 HydrophobicContact CE1-CD 3.63Å; F248-K252 HydrophobicContact CE2-CB 4.34Å; F248-K252 HydrophobicContact CE2-CD 3.73Å; F248-K252 HydrophobicContact CG-CD 4.31Å; F248-K252 HydrophobicContact CZ-CD 3.45Å; F248-K252 VanDerWaalsContact CZ-CD 3.45Å; F248-K252 VanDerWaalsContact O-CD 3.32Å; F248-K252 WeakPolarHBondContact O-CD 3.47Å; F248-K252 WeakPolarHBondContact O-CE 3.43Å; F248-K252 PolarHBondContact O-NZ 3.09Å; F248-W276 HydrophobicContact CB-CH2 3.99Å; F248-W276 HydrophobicContact CB-CZ3 3.9Å; F248-W276 HydrophobicContact CG-CZ3 4.39Å; F248-F277 HydrophobicContact CB-CE1 4.32Å; F248-F277 HydrophobicContact CB-CZ 4.36Å; F248-F277 HydrophobicContact CD2-CD1 4.02Å; F248-F277 AromaticContact CD2-CE1 3.92Å; F248-F277 HydrophobicContact CD2-CE1 3.92Å; F248-R280 HydrophobicContact CD1-CG 3.59Å; F248-R280 HydrophobicContact CD2-CB 4.31Å; F248-R280 HydrophobicContact CD2-CG 3.73Å; F248-R280 HydrophobicContact CE1-CG 3.57Å; F248-R280 HydrophobicContact CE2-CB 4.14Å; F248-R280 HydrophobicContact CE2-CG 3.69Å; F248-R280 HydrophobicContact CG-CG 3.68Å; F248-R280 HydrophobicContact CZ-CB 4.36Å; F248-R280 HydrophobicContact CZ-CG 3.61Å |
| 249 | H | 98.3 | Very high | 98.4 | Very high | 126 Ų | 126 | 84 Ų | 84 | 58% | 0.583 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -69.2 | -38.8 | 173 | -71.5 | 82.8 | 0 | 0 | 0 | 111.3 | E245 K246 E247 | E245-H249 PolarHBondContact O-N 3.44Å; E245-H249 PolarHBondContact O-ND1 3.37Å; E245-H249 IonicContact OE2-CE1 3.56Å; E245-H249 IonicContact OE2-ND1 3.96Å; K246-H249 PolarHBondContact O-N 3.34Å; E247-H249 VanDerWaalsContact C-N 3.3Å; E247-H249 PolarHBondContact O-N 3.2Å |
| 250 | F | 98.1 | Very high | 98.4 | Very high | 164 Ų | 164 | 80.5 Ų | 80.5 | 72% | 0.719 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.7 | -45.5 | 175.6 | 178 | -105.7 | 0 | 0 | 0 | 112.5 | K246 E247 | K246-F250 PolarHBondContact O-N 3.35Å; E247-F250 WeakPolarHBondContact O-CB 3.33Å; E247-F250 PolarHBondContact O-N 3.03Å |
| 251 | N | 97.5 | Very high | 98.4 | Very high | 69 Ų | 69 | 82.6 Ų | 82.6 | 37% | 0.369 | 37% | 0.369 | S | S | . | . | trans | -150.9 | 125.2 | 177 | -171.4 | -7.8 | 0 | 0 | 0 | 111.5 | E247 F248 Y253 F277 | E247-N251 PolarHBondContact O-N 3.05Å; F248-N251 CarbonylContact O-C 3.38Å; N251-Y253 PolarHBondContact ND2-O 3.41Å; N251-Y253 PolarHBondContact O-N 3.31Å; N251-Y253 PolarHBondContact OD1-N 3.43Å; N251-Y253 PolarHBondContact OD1-O 3.14Å; N251-Y253 VanDerWaalsContact OD1-O 3.13Å; N251-F277 WeakPolarHBondContact O-CE1 3.42Å | ||
| 252 | K | 97.9 | Very high | 98.4 | Very high | 88 Ų | 88 | 80.3 Ų | 80.3 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -68.4 | -16.5 | 179 | -55.1 | -63.3 | 166.4 | -157.4 | 0 | 113.5 | F248 | F248-K252 HydrophobicContact CD1-CD 4.07Å; F248-K252 VanDerWaalsContact CD1-NZ 3.25Å; F248-K252 HydrophobicContact CD2-CD 4.15Å; F248-K252 HydrophobicContact CE1-CD 3.63Å; F248-K252 HydrophobicContact CE2-CB 4.34Å; F248-K252 HydrophobicContact CE2-CD 3.73Å; F248-K252 HydrophobicContact CG-CD 4.31Å; F248-K252 HydrophobicContact CZ-CD 3.45Å; F248-K252 VanDerWaalsContact CZ-CD 3.45Å; F248-K252 VanDerWaalsContact O-CD 3.32Å; F248-K252 WeakPolarHBondContact O-CD 3.47Å; F248-K252 WeakPolarHBondContact O-CE 3.43Å; F248-K252 PolarHBondContact O-NZ 3.09Å |
| 253 | Y | 98.4 | Very high | 98.4 | Very high | 194 Ų | 194 | 75.9 Ų | 75.9 | 76% | 0.761 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -128.3 | 128.6 | -178.1 | -57 | -79.8 | 0 | 0 | 0 | 111.3 | N251 | N251-Y253 PolarHBondContact ND2-O 3.41Å; N251-Y253 PolarHBondContact O-N 3.31Å; N251-Y253 PolarHBondContact OD1-N 3.43Å; N251-Y253 PolarHBondContact OD1-O 3.14Å; N251-Y253 VanDerWaalsContact OD1-O 3.13Å |
| 254 | L | 98.1 | Very high | 98.4 | Very high | 30 Ų | 30 | 80.5 Ų | 80.5 | 16% | 0.157 | 35% | 0.354 | C | S | . | . | trans | -90.4 | 130.2 | 177.5 | -77.3 | 177.3 | 0 | 0 | 0 | 113 | R258 R259 I262 I273 F277 | L254-R258 HydrophobicContact CD2-CB 3.94Å; L254-R258 HydrophobicContact CD2-CG 3.5Å; L254-R258 VanDerWaalsContact CD2-CG 3.5Å; L254-R259 HydrophobicContact CD1-CB 4.47Å; L254-I262 HydrophobicContact CD1-CD1 4.33Å; L254-I262 HydrophobicContact CD2-CD1 3.69Å; L254-I273 HydrophobicContact CD1-CG2 3.38Å; L254-F277 HydrophobicContact CD1-CD1 4.04Å; L254-F277 HydrophobicContact CD1-CD2 3.3Å; L254-F277 HydrophobicContact CD1-CE1 3.99Å; L254-F277 HydrophobicContact CD1-CE2 3.28Å; L254-F277 HydrophobicContact CD1-CG 3.71Å; L254-F277 HydrophobicContact CD1-CZ 3.63Å; L254-F277 HydrophobicContact CD2-CE1 4.15Å; L254-F277 HydrophobicContact CD2-CE2 4.3Å; L254-F277 HydrophobicContact CD2-CZ 3.86Å; L254-F277 HydrophobicContact CG-CD1 3.78Å; L254-F277 HydrophobicContact CG-CD2 3.98Å; L254-F277 HydrophobicContact CG-CE1 3.54Å; L254-F277 HydrophobicContact CG-CE2 3.78Å; L254-F277 HydrophobicContact CG-CG 3.99Å; L254-F277 HydrophobicContact CG-CZ 3.54Å | ||
| 255 | T | 98.4 | Very high | 98.4 | Very high | 84 Ų | 84 | 84.7 Ų | 84.7 | 52% | 0.515 | 38% | 0.379 | S | S | . | . | trans | -72.1 | 162 | 162.2 | 66.5 | 0 | 0 | 0 | 0 | 110.9 | R257 R258 R259 | T255-R257 PolarHBondContact O-N 3.36Å; T255-R258 PolarHBondContact O-N 2.77Å; T255-R258 PolarHBondContact OG1-N 3.16Å; T255-R259 WeakPolarHBondContact O-CB 3.44Å; T255-R259 PolarHBondContact O-N 2.94Å | ||
| 256 | R | 98.5 | Very high | 98.4 | Very high | 164 Ų | 164 | 82.4 Ų | 82.4 | 62% | 0.619 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -57.2 | -46.7 | 176.6 | 179.2 | 171.9 | -179.7 | 66.3 | 2.2 | 112.2 | R259 I260 E270 | R256-R259 WeakPolarHBondContact O-CB 3.45Å; R256-R259 PolarHBondContact O-N 3.03Å; R256-I260 HydrophobicContact CG-CD1 4.12Å; R256-I260 WeakPolarHBondContact O-CG1 3.45Å; R256-I260 PolarHBondContact O-N 3.45Å; R256-E270 IonicContact NH1-OE1 3.62Å |
| 257 | R | 98.4 | Very high | 98.4 | Very high | 178 Ų | 178 | 82.7 Ų | 82.7 | 67% | 0.672 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -59.7 | -50.2 | -179.9 | -174.4 | 178.4 | 72.1 | 105 | -11.9 | 111.3 | T255 R259 I260 E261 | T255-R257 PolarHBondContact O-N 3.36Å; R257-R259 VanDerWaalsContact C-N 3.29Å; R257-R259 PolarHBondContact O-N 3.43Å; R257-I260 PolarHBondContact O-N 3.02Å; R257-I260 VanDerWaalsContact O-N 3.16Å; R257-E261 WeakPolarHBondContact CG-OE1 3.42Å; R257-E261 IonicContact CZ-OE1 3.36Å; R257-E261 IonicContact NE-OE1 2.77Å; R257-E261 IonicContact NH1-OE1 3.13Å; R257-E261 PolarHBondContact NH1-OE1 3.13Å; R257-E261 WeakPolarHBondContact O-CG 3.48Å; R257-E261 PolarHBondContact O-N 3.35Å; R257-E261 VanDerWaalsContact O-N 3.14Å |
| 258 | R | 98.5 | Very high | 98.4 | Very high | 73 Ų | 73 | 82.4 Ų | 82.4 | 28% | 0.275 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | -179.1 | -170.6 | 68.3 | -166.3 | 137.9 | -3.2 | 112.1 | E247 L254 T255 I260 E261 I262 | E247-R258 IonicContact OE1-CZ 3.47Å; E247-R258 IonicContact OE1-NE 3.81Å; E247-R258 IonicContact OE1-NH2 2.72Å; E247-R258 PolarHBondContact OE1-NH2 3.31Å; E247-R258 IonicContact OE2-CZ 3.64Å; E247-R258 IonicContact OE2-NE 3.83Å; E247-R258 PolarHBondContact OE2-NE 2.69Å; E247-R258 IonicContact OE2-NH2 2.66Å; E247-R258 PolarHBondContact OE2-NH2 3.28Å; E247-R258 VanDerWaalsContact OE2-NH2 3.13Å; L254-R258 HydrophobicContact CD2-CB 3.94Å; L254-R258 HydrophobicContact CD2-CG 3.5Å; L254-R258 VanDerWaalsContact CD2-CG 3.5Å; T255-R258 PolarHBondContact O-N 2.77Å; T255-R258 PolarHBondContact OG1-N 3.16Å; R258-I260 VanDerWaalsContact C-N 3.34Å; R258-I260 PolarHBondContact O-N 2.83Å; R258-E261 WeakPolarHBondContact CD-OE2 3.38Å; R258-E261 IonicContact CZ-OE2 2.87Å; R258-E261 IonicContact NH1-OE2 3.5Å; R258-E261 PolarHBondContact NH1-OE2 3.06Å; R258-E261 PolarHBondContact O-N 3.2Å; R258-I262 HydrophobicContact CG-CD1 3.84Å; R258-I262 HydrophobicContact CG-CG1 4.4Å; R258-I262 WeakPolarHBondContact O-CG1 3.42Å; R258-I262 PolarHBondContact O-N 3.04Å |
| 259 | R | 98.6 | Very high | 98.4 | Very high | 56 Ų | 56 | 85.4 Ų | 85.4 | 21% | 0.211 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58 | -44.5 | 175 | -172.8 | -170.8 | -56.9 | 167.9 | 5 | 112.3 | L254 T255 R256 R257 A263 E270 I273 | L254-R259 HydrophobicContact CD1-CB 4.47Å; T255-R259 WeakPolarHBondContact O-CB 3.44Å; T255-R259 PolarHBondContact O-N 2.94Å; R256-R259 WeakPolarHBondContact O-CB 3.45Å; R256-R259 PolarHBondContact O-N 3.03Å; R257-R259 VanDerWaalsContact C-N 3.29Å; R257-R259 PolarHBondContact O-N 3.43Å; R259-A263 WeakPolarHBondContact O-CB 3.49Å; R259-A263 PolarHBondContact O-N 3.15Å; R259-E270 HydrophobicContact CG-CB 4.2Å; R259-E270 HydrophobicContact CG-CG 4.36Å; R259-I273 HydrophobicContact CG-CB 4.16Å; R259-I273 HydrophobicContact CG-CG2 3.99Å |
| 260 | I | 98.7 | Very high | 98.4 | Very high | 52 Ų | 52 | 82.7 Ų | 82.7 | 27% | 0.267 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 179.1 | -64.9 | 163.8 | 0 | 0 | 0 | 110.3 | R256 R257 R258 A263 H264 E270 | R256-I260 HydrophobicContact CG-CD1 4.12Å; R256-I260 WeakPolarHBondContact O-CG1 3.45Å; R256-I260 PolarHBondContact O-N 3.45Å; R257-I260 PolarHBondContact O-N 3.02Å; R257-I260 VanDerWaalsContact O-N 3.16Å; R258-I260 VanDerWaalsContact C-N 3.34Å; R258-I260 PolarHBondContact O-N 2.83Å; I260-A263 WeakPolarHBondContact O-CB 3.2Å; I260-A263 PolarHBondContact O-N 3.24Å; I260-H264 PolarHBondContact O-CD2 2.98Å; I260-H264 PolarHBondContact O-N 2.93Å; I260-H264 VanDerWaalsContact O-N 3.12Å; I260-E270 HydrophobicContact CG1-CG 4.26Å; I260-E270 WeakPolarHBondContact CG1-OE1 3.46Å |
| 261 | E | 98.7 | Very high | 98.4 | Very high | 58 Ų | 58 | 83.4 Ų | 83.4 | 27% | 0.271 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.9 | -51.7 | 179.4 | -68 | 168.5 | -174.5 | 0 | 0 | 111.8 | R257 R258 A263 H264 T265 | R257-E261 WeakPolarHBondContact CG-OE1 3.42Å; R257-E261 IonicContact CZ-OE1 3.36Å; R257-E261 IonicContact NE-OE1 2.77Å; R257-E261 IonicContact NH1-OE1 3.13Å; R257-E261 PolarHBondContact NH1-OE1 3.13Å; R257-E261 WeakPolarHBondContact O-CG 3.48Å; R257-E261 PolarHBondContact O-N 3.35Å; R257-E261 VanDerWaalsContact O-N 3.14Å; R258-E261 WeakPolarHBondContact CD-OE2 3.38Å; R258-E261 IonicContact CZ-OE2 2.87Å; R258-E261 IonicContact NH1-OE2 3.5Å; R258-E261 PolarHBondContact NH1-OE2 3.06Å; R258-E261 PolarHBondContact O-N 3.2Å; E261-A263 VanDerWaalsContact C-N 3.35Å; E261-A263 PolarHBondContact O-N 3.34Å; E261-H264 PolarHBondContact O-N 3.41Å; E261-T265 PolarHBondContact O-N 3.03Å; E261-T265 VanDerWaalsContact O-N 3.09Å; E261-T265 PolarHBondContact O-OG1 3.42Å; E261-T265 VanDerWaalsContact O-OG1 3.12Å |
| 262 | I | 98.5 | Very high | 98.5 | Very high | 6 Ų | 6 | 82.2 Ų | 82.2 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 180 | -62.7 | 166.1 | 0 | 0 | 0 | 111 | L244 E247 L254 R258 H264 T265 L266 I273 | L244-I262 HydrophobicContact CD2-CG2 4.31Å; E247-I262 HydrophobicContact CB-CD1 4Å; E247-I262 HydrophobicContact CG-CD1 3.63Å; E247-I262 HydrophobicContact CG-CG1 4.15Å; L254-I262 HydrophobicContact CD1-CD1 4.33Å; L254-I262 HydrophobicContact CD2-CD1 3.69Å; R258-I262 HydrophobicContact CG-CD1 3.84Å; R258-I262 HydrophobicContact CG-CG1 4.4Å; R258-I262 WeakPolarHBondContact O-CG1 3.42Å; R258-I262 PolarHBondContact O-N 3.04Å; I262-H264 VanDerWaalsContact C-N 3.27Å; I262-H264 PolarHBondContact O-N 3.33Å; I262-T265 PolarHBondContact O-N 3.34Å; I262-L266 HydrophobicContact CG2-CD1 3.6Å; I262-L266 HydrophobicContact CG2-CG 3.99Å; I262-L266 WeakPolarHBondContact O-CB 3.46Å; I262-L266 WeakPolarHBondContact O-CG 3.19Å; I262-L266 PolarHBondContact O-N 3Å; I262-I273 HydrophobicContact CG2-CD1 3.81Å; I262-I273 HydrophobicContact CG2-CG1 4.49Å |
| 263 | A | 98.7 | Very high | 98.5 | Very high | 4 Ų | 4 | 78 Ų | 78 | 3% | 0.033 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -54.6 | -46.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R259 I260 E261 T267 L268 E270 I273 | R259-A263 WeakPolarHBondContact O-CB 3.49Å; R259-A263 PolarHBondContact O-N 3.15Å; I260-A263 WeakPolarHBondContact O-CB 3.2Å; I260-A263 PolarHBondContact O-N 3.24Å; E261-A263 VanDerWaalsContact C-N 3.35Å; E261-A263 PolarHBondContact O-N 3.34Å; A263-T267 PolarHBondContact O-N 3.4Å; A263-T267 VanDerWaalsContact O-N 3.1Å; A263-L268 CarbonylContact C-O 3.48Å; A263-L268 VanDerWaalsContact CA-O 3.29Å; A263-L268 WeakPolarHBondContact CA-O 3.19Å; A263-L268 WeakPolarHBondContact CB-O 3.29Å; A263-L268 PolarHBondContact O-N 2.72Å; A263-E270 HydrophobicContact CB-CG 4.24Å; A263-I273 HydrophobicContact CB-CG1 4.05Å |
| 264 | H | 98.5 | Very high | 98.5 | Very high | 143 Ų | 143 | 74.6 Ų | 74.6 | 66% | 0.662 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67.2 | -46 | 178.1 | -66.8 | -172.4 | 0 | 0 | 0 | 111.9 | I260 E261 I262 L266 T267 | I260-H264 PolarHBondContact O-CD2 2.98Å; I260-H264 PolarHBondContact O-N 2.93Å; I260-H264 VanDerWaalsContact O-N 3.12Å; E261-H264 PolarHBondContact O-N 3.41Å; I262-H264 VanDerWaalsContact C-N 3.27Å; I262-H264 PolarHBondContact O-N 3.33Å; H264-L266 VanDerWaalsContact C-N 3.34Å; H264-L266 PolarHBondContact O-N 2.88Å; H264-T267 PolarHBondContact O-N 3.37Å |
| 265 | T | 98.4 | Very high | 98.5 | Very high | 88 Ų | 88 | 76.1 Ų | 76.1 | 54% | 0.54 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63 | -39 | -179.5 | -55.9 | 0 | 0 | 0 | 0 | 112.6 | E261 I262 | E261-T265 PolarHBondContact O-N 3.03Å; E261-T265 VanDerWaalsContact O-N 3.09Å; E261-T265 PolarHBondContact O-OG1 3.42Å; E261-T265 VanDerWaalsContact O-OG1 3.12Å; I262-T265 PolarHBondContact O-N 3.34Å |
| 266 | L | 98.4 | Very high | 98.5 | Very high | 3 Ų | 3 | 73.8 Ų | 73.8 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -93.6 | -0.1 | -175.4 | -60.9 | -170.8 | 0 | 0 | 0 | 113.8 | Y239 Q240 E243 L244 I262 H264 L268 | Y239-L266 HydrophobicContact CD1-CD2 4.24Å; Y239-L266 HydrophobicContact CE1-CD2 3.67Å; Q240-L266 HydrophobicContact CG-CB 4.27Å; Q240-L266 PolarHBondContact NE2-O 3.46Å; E243-L266 HydrophobicContact CB-CD1 4.11Å; E243-L266 HydrophobicContact CB-CD2 3.74Å; E243-L266 HydrophobicContact CB-CG 4.49Å; E243-L266 HydrophobicContact CG-CD2 4.02Å; L244-L266 HydrophobicContact CD1-CD1 4.49Å; L244-L266 HydrophobicContact CD2-CD1 4.01Å; L244-L266 HydrophobicContact CG-CD1 3.75Å; I262-L266 HydrophobicContact CG2-CD1 3.6Å; I262-L266 HydrophobicContact CG2-CG 3.99Å; I262-L266 WeakPolarHBondContact O-CB 3.46Å; I262-L266 WeakPolarHBondContact O-CG 3.19Å; I262-L266 PolarHBondContact O-N 3Å; H264-L266 VanDerWaalsContact C-N 3.34Å; H264-L266 PolarHBondContact O-N 2.88Å; L266-L268 HydrophobicContact CB-CD1 4.17Å; L266-L268 HydrophobicContact CB-CG 4.2Å; L266-L268 PolarHBondContact O-N 2.79Å |
| 267 | T | 98.5 | Very high | 98.5 | Very high | 122 Ų | 122 | 66.9 Ų | 66.9 | 75% | 0.748 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 41.1 | -173.7 | 62 | 0 | 0 | 0 | 0 | 112.4 | A263 H264 | A263-T267 PolarHBondContact O-N 3.4Å; A263-T267 VanDerWaalsContact O-N 3.1Å; H264-T267 PolarHBondContact O-N 3.37Å |
| 268 | L | 98.3 | Very high | 98.5 | Very high | 11 Ų | 11 | 65.5 Ų | 65.5 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | trans | -117.6 | 152.8 | 176.6 | -66.9 | 176.8 | 0 | 0 | 0 | 109.6 | Y236 L244 A263 L266 Q272 I273 | Y236-L268 HydrophobicContact CD1-CD1 4.31Å; Y236-L268 HydrophobicContact CD1-CD2 3.89Å; Y236-L268 HydrophobicContact CE1-CD1 4.15Å; Y236-L268 HydrophobicContact CE1-CD2 3.64Å; Y236-L268 HydrophobicContact CE2-CD1 4.5Å; L244-L268 HydrophobicContact CD1-CD1 4.3Å; A263-L268 CarbonylContact C-O 3.48Å; A263-L268 VanDerWaalsContact CA-O 3.29Å; A263-L268 WeakPolarHBondContact CA-O 3.19Å; A263-L268 WeakPolarHBondContact CB-O 3.29Å; A263-L268 PolarHBondContact O-N 2.72Å; L266-L268 HydrophobicContact CB-CD1 4.17Å; L266-L268 HydrophobicContact CB-CG 4.2Å; L266-L268 PolarHBondContact O-N 2.79Å; L268-Q272 HydrophobicContact CB-CB 4.3Å; L268-I273 HydrophobicContact CB-CD1 3.85Å; L268-I273 HydrophobicContact CB-CG1 4.33Å; L268-I273 HydrophobicContact CD1-CD1 3.82Å; L268-I273 HydrophobicContact CG-CD1 4.47Å | ||
| 269 | T | 98.6 | Very high | 98.5 | Very high | 80 Ų | 80 | 68.3 Ų | 68.3 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | trans | -71.9 | 150.4 | 174 | 62 | 0 | 0 | 0 | 0 | 111.1 | R271 Q272 I273 | T269-R271 PolarHBondContact O-N 3.35Å; T269-Q272 WeakPolarHBondContact O-CB 3.46Å; T269-Q272 PolarHBondContact O-N 3.09Å; T269-Q272 WeakPolarHBondContact OG1-CB 3.33Å; T269-Q272 VanDerWaalsContact OG1-CG 3.3Å; T269-Q272 WeakPolarHBondContact OG1-CG 3.48Å; T269-Q272 PolarHBondContact OG1-N 2.89Å; T269-Q272 PolarHBondContact OG1-OE1 3.24Å; T269-I273 PolarHBondContact O-N 3.12Å; T269-I273 VanDerWaalsContact O-N 3.09Å | ||
| 270 | E | 98.7 | Very high | 98.5 | Very high | 69 Ų | 69 | 71.9 Ų | 71.9 | 32% | 0.322 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -52 | -34.4 | 172.5 | -70.7 | -178.7 | 75.1 | 0 | 0 | 112.3 | R256 R259 I260 A263 K274 | R256-E270 IonicContact NH1-OE1 3.62Å; R259-E270 HydrophobicContact CG-CB 4.2Å; R259-E270 HydrophobicContact CG-CG 4.36Å; I260-E270 HydrophobicContact CG1-CG 4.26Å; I260-E270 WeakPolarHBondContact CG1-OE1 3.46Å; A263-E270 HydrophobicContact CB-CG 4.24Å; E270-K274 WeakPolarHBondContact O-CB 3.41Å; E270-K274 PolarHBondContact O-N 3.43Å |
| 271 | R | 98.4 | Very high | 98.5 | Very high | 179 Ų | 179 | 72.9 Ų | 72.9 | 68% | 0.675 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.7 | -45 | 175.7 | -177.1 | -179.7 | -174.1 | -83.4 | -1.2 | 111.9 | T269 K274 I275 | T269-R271 PolarHBondContact O-N 3.35Å; R271-K274 PolarHBondContact O-N 3.12Å; R271-I275 HydrophobicContact CG-CD1 3.93Å; R271-I275 WeakPolarHBondContact O-CG1 3.32Å; R271-I275 PolarHBondContact O-N 2.66Å |
| 272 | Q | 98.5 | Very high | 98.4 | Very high | 45 Ų | 45 | 73.7 Ų | 73.7 | 21% | 0.21 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 177.2 | -80.9 | 164.5 | -50.3 | 0 | 0 | 111.4 | Y236 L268 T269 K274 I275 W276 | Y236-Q272 WeakPolarHBondContact OH-CB 3.29Å; L268-Q272 HydrophobicContact CB-CB 4.3Å; T269-Q272 WeakPolarHBondContact O-CB 3.46Å; T269-Q272 PolarHBondContact O-N 3.09Å; T269-Q272 WeakPolarHBondContact OG1-CB 3.33Å; T269-Q272 VanDerWaalsContact OG1-CG 3.3Å; T269-Q272 WeakPolarHBondContact OG1-CG 3.48Å; T269-Q272 PolarHBondContact OG1-N 2.89Å; T269-Q272 PolarHBondContact OG1-OE1 3.24Å; Q272-K274 VanDerWaalsContact C-N 3.34Å; Q272-K274 PolarHBondContact O-N 3.1Å; Q272-I275 PolarHBondContact O-N 2.87Å; Q272-W276 WeakPolarHBondContact O-CB 3.38Å; Q272-W276 PolarHBondContact O-N 3.32Å |
| 273 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.7 | -47.3 | 174.9 | -57.3 | -58.2 | 0 | 0 | 0 | 110.4 | L244 L254 R259 I262 A263 L268 T269 I275 W276 F277 | L244-I273 HydrophobicContact CD2-CD1 3.8Å; L254-I273 HydrophobicContact CD1-CG2 3.38Å; R259-I273 HydrophobicContact CG-CB 4.16Å; R259-I273 HydrophobicContact CG-CG2 3.99Å; I262-I273 HydrophobicContact CG2-CD1 3.81Å; I262-I273 HydrophobicContact CG2-CG1 4.49Å; A263-I273 HydrophobicContact CB-CG1 4.05Å; L268-I273 HydrophobicContact CB-CD1 3.85Å; L268-I273 HydrophobicContact CB-CG1 4.33Å; L268-I273 HydrophobicContact CD1-CD1 3.82Å; L268-I273 HydrophobicContact CG-CD1 4.47Å; T269-I273 PolarHBondContact O-N 3.12Å; T269-I273 VanDerWaalsContact O-N 3.09Å; I273-I275 PolarHBondContact O-N 3.26Å; I273-W276 PolarHBondContact O-N 3.2Å; I273-F277 HydrophobicContact CG2-CD2 4.17Å; I273-F277 HydrophobicContact CG2-CE2 4.4Å; I273-F277 PolarHBondContact O-N 3.23Å |
| 274 | K | 98.5 | Very high | 98.4 | Very high | 122 Ų | 122 | 81.8 Ų | 81.8 | 53% | 0.53 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.1 | -46.2 | 178.1 | -175.9 | -174 | 176.6 | -173.1 | 0 | 112.2 | E270 R271 Q272 Q278 | E270-K274 WeakPolarHBondContact O-CB 3.41Å; E270-K274 PolarHBondContact O-N 3.43Å; R271-K274 PolarHBondContact O-N 3.12Å; Q272-K274 VanDerWaalsContact C-N 3.34Å; Q272-K274 PolarHBondContact O-N 3.1Å; K274-Q278 WeakPolarHBondContact O-CB 3.27Å; K274-Q278 PolarHBondContact O-N 3.42Å; K274-Q278 VanDerWaalsContact O-N 3.11Å |
| 275 | I | 98.4 | Very high | 98.4 | Very high | 62 Ų | 62 | 77.9 Ų | 77.9 | 32% | 0.318 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 179.6 | -71.2 | 169.8 | 0 | 0 | 0 | 110.7 | R271 Q272 I273 Q278 N279 | R271-I275 HydrophobicContact CG-CD1 3.93Å; R271-I275 WeakPolarHBondContact O-CG1 3.32Å; R271-I275 PolarHBondContact O-N 2.66Å; Q272-I275 PolarHBondContact O-N 2.87Å; I273-I275 PolarHBondContact O-N 3.26Å; I275-Q278 PolarHBondContact O-N 3.3Å; I275-Q278 VanDerWaalsContact O-N 3.17Å; I275-N279 VanDerWaalsContact O-CG 3.31Å; I275-N279 PolarHBondContact O-N 3.16Å |
| 276 | W | 98.7 | Very high | 98.4 | Very high | 35 Ų | 35 | 77.3 Ų | 77.3 | 13% | 0.133 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62 | -46.7 | 178.9 | -172.9 | 90.7 | 0 | 0 | 0 | 111.3 | Y236 L244 E245 F248 Q272 I273 Q278 N279 R280 | Y236-W276 HydrophobicContact CE2-CB 4.37Å; Y236-W276 AromaticContact CE2-CD1 3.62Å; Y236-W276 HydrophobicContact CE2-CG 4.24Å; L244-W276 VanDerWaalsContact C-CH2 3.45Å; L244-W276 HydrophobicContact CB-CD2 3.91Å; L244-W276 HydrophobicContact CB-CE3 3.93Å; L244-W276 HydrophobicContact CB-CH2 3.68Å; L244-W276 HydrophobicContact CB-CZ2 3.63Å; L244-W276 HydrophobicContact CB-CZ3 3.83Å; L244-W276 HydrophobicContact CD1-CD2 3.84Å; L244-W276 HydrophobicContact CD1-CE3 4.48Å; L244-W276 HydrophobicContact CD1-CG 3.85Å; L244-W276 HydrophobicContact CD2-CD2 4.15Å; L244-W276 HydrophobicContact CD2-CE3 3.99Å; L244-W276 HydrophobicContact CG-CD2 4.19Å; L244-W276 HydrophobicContact CG-CE3 4.36Å; L244-W276 WeakPolarHBondContact O-CH2 3.47Å; L244-W276 WeakPolarHBondContact O-CZ3 3.49Å; E245-W276 HydrophobicContact CG-CH2 4.25Å; E245-W276 HydrophobicContact CG-CZ2 4.09Å; F248-W276 HydrophobicContact CB-CH2 3.99Å; F248-W276 HydrophobicContact CB-CZ3 3.9Å; F248-W276 HydrophobicContact CG-CZ3 4.39Å; Q272-W276 WeakPolarHBondContact O-CB 3.38Å; Q272-W276 PolarHBondContact O-N 3.32Å; I273-W276 PolarHBondContact O-N 3.2Å; W276-Q278 PolarHBondContact O-N 3.32Å; W276-N279 PolarHBondContact O-N 3.18Å; W276-R280 HydrophobicContact CE3-CB 4.25Å; W276-R280 HydrophobicContact CH2-CB 4.14Å; W276-R280 HydrophobicContact CH2-CG 3.73Å; W276-R280 HydrophobicContact CZ2-CG 4.28Å; W276-R280 HydrophobicContact CZ3-CB 4Å; W276-R280 HydrophobicContact CZ3-CG 3.96Å; W276-R280 VanDerWaalsContact O-CB 3.31Å; W276-R280 WeakPolarHBondContact O-CB 3.43Å; W276-R280 PolarHBondContact O-N 3.32Å |
| 277 | F | 98.6 | Very high | 98.4 | Very high | 19 Ų | 19 | 82.6 Ų | 82.6 | 8% | 0.083 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.1 | -27.2 | 175.3 | -93.7 | -100.3 | 0 | 0 | 0 | 113.6 | L244 E247 F248 N251 L254 I273 | L244-F277 HydrophobicContact CD2-CE2 4.26Å; E247-F277 HydrophobicContact CB-CZ 4.1Å; F248-F277 HydrophobicContact CB-CE1 4.32Å; F248-F277 HydrophobicContact CB-CZ 4.36Å; F248-F277 HydrophobicContact CD2-CD1 4.02Å; F248-F277 AromaticContact CD2-CE1 3.92Å; F248-F277 HydrophobicContact CD2-CE1 3.92Å; N251-F277 WeakPolarHBondContact O-CE1 3.42Å; L254-F277 HydrophobicContact CD1-CD1 4.04Å; L254-F277 HydrophobicContact CD1-CD2 3.3Å; L254-F277 HydrophobicContact CD1-CE1 3.99Å; L254-F277 HydrophobicContact CD1-CE2 3.28Å; L254-F277 HydrophobicContact CD1-CG 3.71Å; L254-F277 HydrophobicContact CD1-CZ 3.63Å; L254-F277 HydrophobicContact CD2-CE1 4.15Å; L254-F277 HydrophobicContact CD2-CE2 4.3Å; L254-F277 HydrophobicContact CD2-CZ 3.86Å; L254-F277 HydrophobicContact CG-CD1 3.78Å; L254-F277 HydrophobicContact CG-CD2 3.98Å; L254-F277 HydrophobicContact CG-CE1 3.54Å; L254-F277 HydrophobicContact CG-CE2 3.78Å; L254-F277 HydrophobicContact CG-CG 3.99Å; L254-F277 HydrophobicContact CG-CZ 3.54Å; I273-F277 HydrophobicContact CG2-CD2 4.17Å; I273-F277 HydrophobicContact CG2-CE2 4.4Å; I273-F277 PolarHBondContact O-N 3.23Å |
| 278 | Q | 98.3 | Very high | 98.4 | Very high | 148 Ų | 148 | 79.5 Ų | 79.5 | 69% | 0.692 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -78 | -33.5 | 176.9 | -177.2 | 60.2 | 75 | 0 | 0 | 112.8 | K274 I275 W276 | K274-Q278 WeakPolarHBondContact O-CB 3.27Å; K274-Q278 PolarHBondContact O-N 3.42Å; K274-Q278 VanDerWaalsContact O-N 3.11Å; I275-Q278 PolarHBondContact O-N 3.3Å; I275-Q278 VanDerWaalsContact O-N 3.17Å; W276-Q278 PolarHBondContact O-N 3.32Å |
| 279 | N | 98.1 | Very high | 98.4 | Very high | 132 Ų | 132 | 85.3 Ų | 85.3 | 71% | 0.706 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -81.1 | -22.1 | 178.4 | -68.2 | -14.9 | 0 | 0 | 0 | 112.4 | I275 W276 | I275-N279 VanDerWaalsContact O-CG 3.31Å; I275-N279 PolarHBondContact O-N 3.16Å; W276-N279 PolarHBondContact O-N 3.18Å |
| 280 | R | 97.5 | Very high | 98.4 | Very high | 132 Ų | 132 | 85.7 Ų | 85.7 | 50% | 0.498 | 38% | 0.379 | S | S | . | . | trans | -82.9 | 0 | -178.1 | -176.2 | 63.4 | -168.6 | 87.8 | -7.8 | 112.1 | E245 F248 W276 | E245-R280 IonicContact OE1-NE 3.12Å; E245-R280 PolarHBondContact OE1-NE 3.27Å; E245-R280 VanDerWaalsContact OE1-NE 3.12Å; E245-R280 IonicContact OE2-CZ 3.95Å; E245-R280 IonicContact OE2-NE 3.15Å; E245-R280 PolarHBondContact OE2-NE 3.14Å; E245-R280 VanDerWaalsContact OE2-NE 3.15Å; E245-R280 IonicContact OE2-NH2 3.84Å; F248-R280 HydrophobicContact CD1-CG 3.59Å; F248-R280 HydrophobicContact CD2-CB 4.31Å; F248-R280 HydrophobicContact CD2-CG 3.73Å; F248-R280 HydrophobicContact CE1-CG 3.57Å; F248-R280 HydrophobicContact CE2-CB 4.14Å; F248-R280 HydrophobicContact CE2-CG 3.69Å; F248-R280 HydrophobicContact CG-CG 3.68Å; F248-R280 HydrophobicContact CZ-CB 4.36Å; F248-R280 HydrophobicContact CZ-CG 3.61Å; W276-R280 HydrophobicContact CE3-CB 4.25Å; W276-R280 HydrophobicContact CH2-CB 4.14Å; W276-R280 HydrophobicContact CH2-CG 3.73Å; W276-R280 HydrophobicContact CZ2-CG 4.28Å; W276-R280 HydrophobicContact CZ3-CB 4Å; W276-R280 HydrophobicContact CZ3-CG 3.96Å; W276-R280 VanDerWaalsContact O-CB 3.31Å; W276-R280 WeakPolarHBondContact O-CB 3.43Å; W276-R280 PolarHBondContact O-N 3.32Å |
Retrieved 280 of 280 residues in 36.9 ms
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