| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.5 | Very low | 49.3 | Very low | 225 Ų | 225 | 155.7 Ų | 155.7 | 100% | 1.108 | 80% | 0.798 | S | S | * | * | 0 | 126 | 0 | -63.2 | 171.4 | -174.6 | 0 | 0 | 106 | |||||
| 2 | T | 48.6 | Very low | 48.9 | Very low | 130 Ų | 130 | 158.4 Ų | 158.4 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | -143.8 | 102.2 | -179.6 | 40.4 | 0 | 0 | 0 | 0 | 105.3 | E4 | T2-E4 PolarHBondContact O-N 3.24Š| ||
| 3 | E | 52.4 | Low | 48.6 | Very low | 154 Ų | 154 | 158.6 Ų | 158.6 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | trans | -74.4 | 106.7 | -171.9 | -44 | -57.9 | 110.6 | 0 | 0 | 109.5 | T5 | E3-T5 PolarHBondContact O-N 3.27Å; E3-T5 VanDerWaalsContact O-N 3.13Å | ||
| 4 | E | 53.5 | Low | 48.2 | Very low | 183 Ų | 183 | 154.9 Ų | 154.9 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -77.6 | 96 | 171.2 | -71 | -168.7 | 130.3 | 0 | 0 | 109.6 | T2 L6 | T2-E4 PolarHBondContact O-N 3.24Å; E4-L6 VanDerWaalsContact C-N 3.34Å; E4-L6 PolarHBondContact O-N 3.37Å | ||
| 5 | T | 61.5 | Low | 48 | Very low | 124 Ų | 124 | 157.8 Ų | 157.8 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | trans | -69.6 | 86.3 | 176 | 27.5 | 0 | 0 | 0 | 0 | 111.4 | E3 L7 | E3-T5 PolarHBondContact O-N 3.27Å; E3-T5 VanDerWaalsContact O-N 3.13Å; T5-L7 PolarHBondContact O-N 3.26Å | ||
| 6 | L | 55.7 | Low | 47.5 | Very low | 145 Ų | 145 | 157.3 Ų | 157.3 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -60.1 | 98 | 170.4 | -74.3 | 171.4 | 0 | 0 | 0 | 111 | E4 F8 | E4-L6 VanDerWaalsContact C-N 3.34Å; E4-L6 PolarHBondContact O-N 3.37Å; L6-F8 HydrophobicContact CB-CD2 4.49Å; L6-F8 HydrophobicContact CB-CE2 4.43Å; L6-F8 PolarHBondContact O-N 3.2Å | ||
| 7 | L | 54.2 | Low | 47.1 | Very low | 152 Ų | 152 | 155.1 Ų | 155.1 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | trans | -73.8 | 90.7 | 170.8 | -66.9 | 177.9 | 0 | 0 | 0 | 109.9 | T5 L9 | T5-L7 PolarHBondContact O-N 3.26Å; L7-L9 HydrophobicContact CB-CD1 4.47Å; L7-L9 PolarHBondContact O-N 3.17Å; L7-L9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | F | 43.5 | Very low | 46.6 | Very low | 187 Ų | 187 | 153.2 Ų | 153.2 | 82% | 0.82 | 80% | 0.795 | S | S | * | * | trans | -61.3 | 111.1 | 165.2 | -85 | -97.5 | 0 | 0 | 0 | 109.7 | L6 D10 | L6-F8 HydrophobicContact CB-CD2 4.49Å; L6-F8 HydrophobicContact CB-CE2 4.43Å; L6-F8 PolarHBondContact O-N 3.2Å; F8-D10 PolarHBondContact O-N 2.94Å; F8-D10 VanDerWaalsContact O-N 3.17Å | ||
| 9 | L | 46.6 | Very low | 46.1 | Very low | 149 Ų | 149 | 149.9 Ų | 149.9 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | -76.5 | 100.4 | 169.3 | -95.6 | 65.2 | 0 | 0 | 0 | 109.1 | L7 I11 | L7-L9 HydrophobicContact CB-CD1 4.47Å; L7-L9 PolarHBondContact O-N 3.17Å; L7-L9 VanDerWaalsContact O-N 3.12Å; L9-I11 PolarHBondContact O-N 3.12Å | ||
| 10 | D | 40.4 | Very low | 46 | Very low | 106 Ų | 106 | 147.4 Ų | 147.4 | 57% | 0.567 | 79% | 0.794 | S | S | * | * | trans | -67.7 | 88.9 | 174.4 | 178.1 | 17 | 0 | 0 | 0 | 110.8 | F8 R12 | F8-D10 PolarHBondContact O-N 2.94Å; F8-D10 VanDerWaalsContact O-N 3.17Å; D10-R12 PolarHBondContact O-N 2.84Å; D10-R12 WeakPolarHBondContact OD1-CG 3.21Å; D10-R12 IonicContact OD1-NE 3.86Å; D10-R12 IonicContact OD2-CZ 3.14Å; D10-R12 IonicContact OD2-NE 2.72Å; D10-R12 PolarHBondContact OD2-NE 3.31Å; D10-R12 IonicContact OD2-NH2 2.71Å; D10-R12 PolarHBondContact OD2-NH2 3.04Å | ||
| 11 | I | 45.2 | Very low | 45.6 | Very low | 158 Ų | 158 | 149.8 Ų | 149.8 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -75.4 | 88.4 | 176.3 | -55.1 | 178.2 | 0 | 0 | 0 | 108.8 | L9 | L9-I11 PolarHBondContact O-N 3.12Š| ||
| 12 | R | 44.5 | Very low | 46 | Very low | 188 Ų | 188 | 145.5 Ų | 145.5 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | trans | -77.1 | 123.5 | 174.9 | -60.2 | -178.3 | -169.5 | 155 | 12.2 | 111 | D10 S14 | D10-R12 PolarHBondContact O-N 2.84Å; D10-R12 WeakPolarHBondContact OD1-CG 3.21Å; D10-R12 IonicContact OD1-NE 3.86Å; D10-R12 IonicContact OD2-CZ 3.14Å; D10-R12 IonicContact OD2-NE 2.72Å; D10-R12 PolarHBondContact OD2-NE 3.31Å; D10-R12 IonicContact OD2-NH2 2.71Å; D10-R12 PolarHBondContact OD2-NH2 3.04Å; R12-S14 PolarHBondContact O-N 3.13Å | ||
| 13 | D | 44.9 | Very low | 45.5 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -53.9 | 107.5 | 172 | -90.1 | -52.6 | 0 | 0 | 0 | 111.7 | K15 | D13-K15 PolarHBondContact O-N 3.29Å; D13-K15 VanDerWaalsContact O-N 3.16Å | ||
| 14 | S | 43.4 | Very low | 45.5 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -83 | 93 | 176.5 | -66.9 | 0 | 0 | 0 | 0 | 109.1 | R12 I16 | R12-S14 PolarHBondContact O-N 3.13Å; S14-I16 PolarHBondContact O-N 3.45Å | ||
| 15 | K | 44.7 | Very low | 45.2 | Very low | 198 Ų | 198 | 143.9 Ų | 143.9 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -49.7 | 112.7 | 177.7 | -68.7 | -177 | 178.2 | -178.4 | 0 | 111.5 | D13 S17 | D13-K15 PolarHBondContact O-N 3.29Å; D13-K15 VanDerWaalsContact O-N 3.16Å; K15-S17 PolarHBondContact O-N 3.21Å | ||
| 16 | I | 40.6 | Very low | 44.5 | Very low | 149 Ų | 149 | 141 Ų | 141 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | -86.7 | 104.3 | 168 | -61 | 177 | 0 | 0 | 0 | 107.8 | S14 T18 | S14-I16 PolarHBondContact O-N 3.45Å; I16-T18 PolarHBondContact O-N 3.12Å | ||
| 17 | S | 40.2 | Very low | 44 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -85 | 90.9 | 166.9 | -72.3 | 0 | 0 | 0 | 0 | 109.9 | K15 | K15-S17 PolarHBondContact O-N 3.21Š| ||
| 18 | T | 37.5 | Very low | 43.7 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -82.8 | 115.3 | 165.9 | -50.3 | 0 | 0 | 0 | 0 | 108.5 | I16 | I16-T18 PolarHBondContact O-N 3.12Š| ||
| 19 | A | 37.2 | Very low | 43.6 | Very low | 91 Ų | 91 | 142.8 Ų | 142.8 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -69.5 | 148.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 20 | A | 44.3 | Very low | 43.8 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -77.8 | 131 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 21 | E | 38.5 | Very low | 44.5 | Very low | 197 Ų | 197 | 142 Ų | 142 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | -125 | 140.9 | 143.6 | -70.4 | -162.4 | 131.7 | 0 | 0 | 108.4 | ||||
| 22 | T | 48 | Very low | 44.8 | Very low | 136 Ų | 136 | 140 Ų | 140 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -84.6 | 127.5 | -176.2 | 44.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 23 | E | 37.9 | Very low | 45.5 | Very low | 193 Ų | 193 | 138.5 Ų | 138.5 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -143.8 | 144.4 | 134.9 | -78 | -143.2 | 133 | 0 | 0 | 110.2 | ||||
| 24 | S | 53.1 | Low | 45.8 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | trans | -100.7 | 84.8 | -169.9 | 171.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 25 | S | 48.2 | Very low | 46.4 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -102.5 | 106.1 | 163.9 | 50.5 | 0 | 0 | 0 | 0 | 109.9 | S27 | S25-S27 PolarHBondContact O-N 3.43Š| ||
| 26 | G | 45.9 | Very low | 46.8 | Very low | 63 Ų | 63 | 137.2 Ų | 137.2 | 65% | 0.649 | 81% | 0.81 | S | S | * | * | trans | -71.9 | 125.1 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L28 | G26-L28 VanDerWaalsContact C-N 3.31Å; G26-L28 PolarHBondContact O-N 3.35Å | ||
| 27 | S | 44.7 | Very low | 48 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -67.1 | 84.2 | 168.6 | -63.5 | 0 | 0 | 0 | 0 | 111.3 | S25 W29 | S25-S27 PolarHBondContact O-N 3.43Å; S27-W29 PolarHBondContact O-N 3.22Å | ||
| 28 | L | 49 | Very low | 48.3 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -73.7 | 61.4 | 177 | -74.9 | 165.2 | 0 | 0 | 0 | 112.2 | G26 | G26-L28 VanDerWaalsContact C-N 3.31Å; G26-L28 PolarHBondContact O-N 3.35Å | ||
| 29 | W | 41.7 | Very low | 49.4 | Very low | 251 Ų | 251 | 142.5 Ų | 142.5 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | trans | -99.9 | 59.2 | 166 | -90.4 | 44 | 0 | 0 | 0 | 110.3 | S27 S31 | S27-W29 PolarHBondContact O-N 3.22Å; W29-S31 PolarHBondContact O-N 2.71Å | ||
| 30 | T | 50.4 | Low | 50.1 | Low | 118 Ų | 118 | 146.5 Ų | 146.5 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | trans | -66.6 | 124.4 | 161.4 | 45.3 | 0 | 0 | 0 | 0 | 108.9 | S32 | T30-S32 PolarHBondContact O-N 3.04Å; T30-S32 VanDerWaalsContact O-N 3.1Å | ||
| 31 | S | 55.7 | Low | 50.4 | Low | 119 Ų | 119 | 148.3 Ų | 148.3 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -58 | 114.9 | 173.7 | 45.2 | 0 | 0 | 0 | 0 | 110.2 | W29 N33 | W29-S31 PolarHBondContact O-N 2.71Å; S31-N33 PolarHBondContact O-N 2.93Å; S31-N33 VanDerWaalsContact O-N 3.13Å | ||
| 32 | S | 49.8 | Very low | 51.2 | Low | 117 Ų | 117 | 143.7 Ų | 143.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -68.8 | 111.9 | -179 | 39.7 | 0 | 0 | 0 | 0 | 110.1 | T30 | T30-S32 PolarHBondContact O-N 3.04Å; T30-S32 VanDerWaalsContact O-N 3.1Å | ||
| 33 | N | 59.5 | Low | 51.3 | Low | 156 Ų | 156 | 143.7 Ų | 143.7 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -63.6 | 147.6 | 170 | -157.7 | -15.6 | 0 | 0 | 0 | 109.4 | S31 S35 | S31-N33 PolarHBondContact O-N 2.93Å; S31-N33 VanDerWaalsContact O-N 3.13Å; N33-S35 PolarHBondContact O-N 2.9Å | ||
| 34 | N | 51.8 | Low | 52.1 | Low | 153 Ų | 153 | 139 Ų | 139 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -78.6 | 81 | -151.6 | -150.1 | -9.4 | 0 | 0 | 0 | 112.8 | ||
| 35 | S | 56.8 | Low | 52.1 | Low | 95 Ų | 95 | 140.5 Ų | 140.5 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | trans | -137.1 | 70.2 | -178.5 | -156.2 | 0 | 0 | 0 | 0 | 112 | N33 R37 | N33-S35 PolarHBondContact O-N 2.9Å; S35-R37 PolarHBondContact O-N 3.13Å; S35-R37 VanDerWaalsContact O-N 3.14Å | ||
| 36 | F | 52.8 | Low | 52.3 | Low | 192 Ų | 192 | 141.6 Ų | 141.6 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | -67.6 | 106.5 | 168 | -114.3 | -90.4 | 0 | 0 | 0 | 109.7 | ||||
| 37 | R | 65.4 | Low | 52.4 | Low | 203 Ų | 203 | 142.6 Ų | 142.6 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | trans | -110.2 | 118.7 | 169.4 | -66.7 | -160.9 | 68.9 | -169.3 | -2.5 | 110.3 | S35 N39 | S35-R37 PolarHBondContact O-N 3.13Å; S35-R37 VanDerWaalsContact O-N 3.14Å; R37-N39 PolarHBondContact O-N 3.48Å | ||
| 38 | F | 47.2 | Very low | 53 | Low | 160 Ų | 160 | 142.4 Ų | 142.4 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | trans | -72.1 | 110.4 | 167.4 | -96.2 | -101.8 | 0 | 0 | 0 | 109.7 | F40 | F38-F40 HydrophobicContact CB-CD2 3.99Å; F38-F40 HydrophobicContact CB-CE2 3.82Å; F38-F40 AromaticContact CD1-CE2 3.97Å; F38-F40 HydrophobicContact CD1-CE2 3.97Å; F38-F40 HydrophobicContact CD1-CZ 4.22Å; F38-F40 HydrophobicContact CG-CE2 4.19Å; F38-F40 PolarHBondContact O-N 2.82Å | ||
| 39 | N | 59.4 | Low | 53.5 | Low | 139 Ų | 139 | 140.5 Ų | 140.5 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | -81.3 | 94.7 | 161.3 | -77.2 | -7.9 | 0 | 0 | 0 | 108.1 | R37 V41 | R37-N39 PolarHBondContact O-N 3.48Å; N39-V41 PolarHBondContact O-N 2.74Å | ||
| 40 | F | 51.9 | Low | 53.6 | Low | 174 Ų | 174 | 134.6 Ų | 134.6 | 76% | 0.763 | 76% | 0.757 | S | S | * | * | trans | -69.4 | 108.6 | 164.4 | -80.1 | -91.2 | 0 | 0 | 0 | 108.5 | F38 T42 | F38-F40 HydrophobicContact CB-CD2 3.99Å; F38-F40 HydrophobicContact CB-CE2 3.82Å; F38-F40 AromaticContact CD1-CE2 3.97Å; F38-F40 HydrophobicContact CD1-CE2 3.97Å; F38-F40 HydrophobicContact CD1-CZ 4.22Å; F38-F40 HydrophobicContact CG-CE2 4.19Å; F38-F40 PolarHBondContact O-N 2.82Å; F40-T42 PolarHBondContact O-N 2.98Å | ||
| 41 | V | 51.6 | Low | 53.6 | Low | 137 Ų | 137 | 138.5 Ų | 138.5 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | -71.2 | 106.6 | 164.5 | -179.9 | 0 | 0 | 0 | 0 | 106.9 | N39 | N39-V41 PolarHBondContact O-N 2.74Š| ||
| 42 | T | 53.9 | Low | 52.8 | Low | 101 Ų | 101 | 141.7 Ų | 141.7 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | trans | -71.6 | 127.2 | 168 | 43.2 | 0 | 0 | 0 | 0 | 109 | F40 S44 | F40-T42 PolarHBondContact O-N 2.98Å; T42-S44 PolarHBondContact O-N 3.21Å | ||
| 43 | D | 51.3 | Low | 52.3 | Low | 135 Ų | 135 | 144.4 Ų | 144.4 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 74.4 | -177.6 | -168.2 | 22.4 | 0 | 0 | 0 | 110.7 | I46 | D43-I46 WeakPolarHBondContact OD1-CD1 3.35Š|
| 44 | S | 55.1 | Low | 51.5 | Low | 96 Ų | 96 | 143.3 Ų | 143.3 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.9 | -10 | -169.9 | -57.7 | 0 | 0 | 0 | 0 | 115 | T42 | T42-S44 PolarHBondContact O-N 3.21Š|
| 45 | D | 52.5 | Low | 51.4 | Low | 158 Ų | 158 | 141.6 Ų | 141.6 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | -116.2 | 33.7 | 176.3 | -83.4 | -58.3 | 0 | 0 | 0 | 112.5 | A47 | D45-A47 PolarHBondContact O-N 2.72Š| ||
| 46 | I | 51 | Low | 51.1 | Low | 135 Ų | 135 | 143 Ų | 143 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -85.2 | 95.4 | 163.2 | -59.4 | -179 | 0 | 0 | 0 | 107.9 | D43 | D43-I46 WeakPolarHBondContact OD1-CD1 3.35Š| ||
| 47 | A | 50 | Low | 50.7 | Low | 85 Ų | 85 | 138.3 Ų | 138.3 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 136.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | D45 | D45-A47 PolarHBondContact O-N 2.72Š|
| 48 | P | 57 | Low | 49.5 | Very low | 115 Ų | 115 | 133 Ų | 133 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 138.3 | -176.8 | 28.5 | -34.6 | 0 | 0 | 0 | 111.4 | ||
| 49 | P | 57.8 | Low | 49.6 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 146.9 | 170 | 29.4 | -34 | 0 | 0 | 0 | 110.6 | ||
| 50 | P | 45.1 | Very low | 48.9 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 151.7 | 174 | 28.5 | -34.5 | 0 | 0 | 0 | 111.3 | ||
| 51 | Q | 50 | Low | 48.3 | Very low | 200 Ų | 200 | 128.4 Ų | 128.4 | 94% | 0.935 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 139.8 | -179.2 | -54.7 | -178.6 | -82.6 | 0 | 0 | 111.1 | ||
| 52 | E | 38.5 | Very low | 47.8 | Very low | 186 Ų | 186 | 131 Ų | 131 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | -140.7 | 120.4 | 163.8 | -142.8 | 172.6 | -165.4 | 0 | 0 | 111.4 | ||||
| 53 | E | 40 | Very low | 47.5 | Very low | 174 Ų | 174 | 132.3 Ų | 132.3 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 24.9 | 117.8 | 156.6 | -62.7 | -67 | 95.1 | 0 | 0 | 121 | ||||
| 54 | T | 43.2 | Very low | 47.5 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | trans | -78.6 | 141.4 | 161.5 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 55 | P | 49.2 | Very low | 47.2 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -106.7 | 160.5 | 141.4 | 32.5 | -26.7 | 0 | 0 | 0 | 111.5 | ||||
| 56 | P | 49.3 | Very low | 47.5 | Very low | 125 Ų | 125 | 131 Ų | 131 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -82.5 | 154.3 | -149.3 | 30.3 | -37.1 | 0 | 0 | 0 | 116.3 | ||||
| 57 | A | 45.8 | Very low | 47.9 | Very low | 92 Ų | 92 | 130.4 Ų | 130.4 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -64.2 | 130 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S59 | A57-S59 PolarHBondContact O-N 3.17Š| ||
| 58 | A | 40.6 | Very low | 48.4 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -74.7 | 89.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L60 | A58-L60 VanDerWaalsContact C-N 3.34Å; A58-L60 PolarHBondContact O-N 3.02Å | ||
| 59 | S | 49.2 | Very low | 48.1 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -71.7 | 80.8 | 178.9 | 42 | 0 | 0 | 0 | 0 | 112.2 | A57 S61 | A57-S59 PolarHBondContact O-N 3.17Å; S59-S61 PolarHBondContact O-N 3.41Å | ||
| 60 | L | 43.2 | Very low | 48.4 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -70.6 | 94.1 | 171.9 | -66.8 | 179.8 | 0 | 0 | 0 | 110.9 | A58 F62 | A58-L60 VanDerWaalsContact C-N 3.34Å; A58-L60 PolarHBondContact O-N 3.02Å; L60-F62 PolarHBondContact O-N 3.12Å; L60-F62 VanDerWaalsContact O-N 3.1Å | ||
| 61 | S | 39.5 | Very low | 49.2 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | -68.6 | 98.3 | 174.3 | 38.3 | 0 | 0 | 0 | 0 | 111.6 | S59 T63 | S59-S61 PolarHBondContact O-N 3.41Å; S61-T63 PolarHBondContact O-N 2.72Å | ||
| 62 | F | 40.8 | Very low | 49.9 | Very low | 191 Ų | 191 | 131.9 Ų | 131.9 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -73.5 | 76.3 | 169.9 | -174.5 | -101.9 | 0 | 0 | 0 | 111.3 | L60 G64 | L60-F62 PolarHBondContact O-N 3.12Å; L60-F62 VanDerWaalsContact O-N 3.1Å; F62-G64 PolarHBondContact O-N 3.28Å | ||
| 63 | T | 47.7 | Very low | 51.2 | Low | 129 Ų | 129 | 130.7 Ų | 130.7 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -78.5 | 97.1 | 161.4 | 51.6 | 0 | 0 | 0 | 0 | 108.1 | S61 | S61-T63 PolarHBondContact O-N 2.72Š| ||
| 64 | G | 51.6 | Low | 52.2 | Low | 42 Ų | 42 | 129.5 Ų | 129.5 | 43% | 0.433 | 77% | 0.767 | S | S | . | * | trans | -72.6 | 146.9 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | F62 | F62-G64 PolarHBondContact O-N 3.28Š| ||
| 65 | Q | 48.3 | Very low | 53.4 | Low | 194 Ų | 194 | 130.4 Ų | 130.4 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | trans | -150.8 | 142.7 | 142.5 | -119.8 | 163.6 | 91 | 0 | 0 | 109.8 | S67 | Q65-S67 PolarHBondContact O-N 3.16Š| ||
| 66 | S | 59.1 | Low | 53.5 | Low | 126 Ų | 126 | 129.9 Ų | 129.9 | 88% | 0.881 | 76% | 0.762 | S | S | * | * | trans | -80.3 | 107.1 | -175.7 | 52.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 67 | S | 59.4 | Low | 53.8 | Low | 123 Ų | 123 | 129.8 Ų | 129.8 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -146.4 | 165.9 | 166.2 | -162.1 | 0 | 0 | 0 | 0 | 111.7 | Q65 | Q65-S67 PolarHBondContact O-N 3.16Š| ||
| 68 | A | 61.4 | Low | 54.3 | Low | 87 Ų | 87 | 130.1 Ų | 130.1 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | trans | -66.8 | 153.8 | -159.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | A70 | A68-A70 VanDerWaalsContact C-N 3.35Å; A68-A70 PolarHBondContact O-N 2.98Å | ||
| 69 | F | 50.8 | Low | 55 | Low | 200 Ų | 200 | 134.9 Ų | 134.9 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | -71.3 | 82.1 | 175.5 | -153.7 | -83.8 | 0 | 0 | 0 | 110.6 | ||||
| 70 | A | 63.2 | Low | 55.3 | Low | 93 Ų | 93 | 137.4 Ų | 137.4 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -85.5 | 122.3 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | A68 N72 | A68-A70 VanDerWaalsContact C-N 3.35Å; A68-A70 PolarHBondContact O-N 2.98Å; A70-N72 PolarHBondContact O-N 3.02Å | ||
| 71 | F | 61.7 | Low | 55.9 | Low | 165 Ų | 165 | 138 Ų | 138 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | trans | -76.8 | 109.7 | 173.9 | -119 | -85.9 | 0 | 0 | 0 | 109.9 | F73 | F71-F73 VanDerWaalsContact C-N 3.32Å; F71-F73 HydrophobicContact CB-CD2 4.45Å; F71-F73 AromaticContact CD1-CD2 3.82Å; F71-F73 HydrophobicContact CD1-CD2 3.82Å; F71-F73 AromaticContact CD1-CE2 3.5Å; F71-F73 HydrophobicContact CD1-CE2 3.5Å; F71-F73 VanDerWaalsContact CD1-CE2 3.5Å; F71-F73 AromaticContact CE1-CE2 3.89Å; F71-F73 HydrophobicContact CE1-CE2 3.89Å; F71-F73 HydrophobicContact CG-CE2 4.5Å; F71-F73 PolarHBondContact O-N 3.01Å | ||
| 72 | N | 65.6 | Low | 56.1 | Low | 124 Ų | 124 | 139.7 Ų | 139.7 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | trans | -75.2 | 81.6 | 178.2 | -178.2 | 70.8 | 0 | 0 | 0 | 111.6 | A70 Q74 | A70-N72 PolarHBondContact O-N 3.02Å; N72-Q74 PolarHBondContact ND2-OE1 3.09Å; N72-Q74 PolarHBondContact OD1-NE2 3.47Å | ||
| 73 | F | 66.3 | Low | 56.4 | Low | 162 Ų | 162 | 136.7 Ų | 136.7 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | -101.9 | 116 | 158.6 | -80.2 | -75.5 | 0 | 0 | 0 | 108.8 | F71 I75 | F71-F73 VanDerWaalsContact C-N 3.32Å; F71-F73 HydrophobicContact CB-CD2 4.45Å; F71-F73 AromaticContact CD1-CD2 3.82Å; F71-F73 HydrophobicContact CD1-CD2 3.82Å; F71-F73 AromaticContact CD1-CE2 3.5Å; F71-F73 HydrophobicContact CD1-CE2 3.5Å; F71-F73 VanDerWaalsContact CD1-CE2 3.5Å; F71-F73 AromaticContact CE1-CE2 3.89Å; F71-F73 HydrophobicContact CE1-CE2 3.89Å; F71-F73 HydrophobicContact CG-CE2 4.5Å; F71-F73 PolarHBondContact O-N 3.01Å; F73-I75 PolarHBondContact O-N 3.45Å; F73-I75 VanDerWaalsContact O-N 3.13Å | ||
| 74 | Q | 60.8 | Low | 56 | Low | 148 Ų | 148 | 135.3 Ų | 135.3 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | trans | -62.8 | 111.7 | 166.6 | -92.9 | 61.4 | 48.7 | 0 | 0 | 109.3 | N72 | N72-Q74 PolarHBondContact ND2-OE1 3.09Å; N72-Q74 PolarHBondContact OD1-NE2 3.47Å | ||
| 75 | I | 67.9 | Low | 55.3 | Low | 153 Ų | 153 | 142.9 Ų | 142.9 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 119.4 | 166.6 | -58 | 175.1 | 0 | 0 | 0 | 106.7 | F73 | F73-I75 PolarHBondContact O-N 3.45Å; F73-I75 VanDerWaalsContact O-N 3.13Å |
| 76 | P | 52.3 | Low | 55.1 | Low | 106 Ų | 106 | 138.1 Ų | 138.1 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 140.8 | 172.8 | -20.3 | 33 | 0 | 0 | 0 | 110.5 | ||
| 77 | P | 54.8 | Low | 53.8 | Low | 122 Ų | 122 | 136.4 Ų | 136.4 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 138.5 | 173.1 | 28.6 | -33.8 | 0 | 0 | 0 | 110 | ||
| 78 | A | 55.2 | Low | 53 | Low | 100 Ų | 100 | 138 Ų | 138 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 137.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 79 | E | 56.5 | Low | 52.2 | Low | 191 Ų | 191 | 139.6 Ų | 139.6 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 145.3 | 176.7 | -62.7 | -177.8 | 133 | 0 | 0 | 110.6 | ||
| 80 | D | 54.7 | Low | 51.5 | Low | 163 Ų | 163 | 134 Ų | 134 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 151.6 | 173.7 | -102.3 | -61.3 | 0 | 0 | 0 | 111.5 | ||
| 81 | M | 56.8 | Low | 50.1 | Low | 178 Ų | 178 | 134.9 Ų | 134.9 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -132.9 | 128 | 164.7 | -110.5 | -147.5 | 73.4 | 0 | 0 | 110.5 | ||||
| 82 | D | 43.5 | Very low | 48.7 | Very low | 136 Ų | 136 | 134 Ų | 134 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -70 | 140 | -163 | -103.5 | -71.9 | 0 | 0 | 0 | 116.3 | ||||
| 83 | T | 47.4 | Very low | 47 | Very low | 129 Ų | 129 | 136 Ų | 136 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | 25.6 | 108.3 | 128.2 | -44.2 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 84 | A | 38.1 | Very low | 45.2 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | -138.6 | 149.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 85 | E | 37.8 | Very low | 43.7 | Very low | 200 Ų | 200 | 131.5 Ų | 131.5 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | trans | -75.8 | 171.8 | -162.1 | -148.5 | -176.6 | 122.6 | 0 | 0 | 115.5 | ||||
| 86 | A | 43.2 | Very low | 42.1 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | -71.4 | 146.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 87 | A | 32.8 | Very low | 41.4 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | -163.8 | 141.4 | 129.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 88 | N | 42.3 | Very low | 40.2 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -101.2 | 137.7 | 152.2 | -113.3 | -87.8 | 0 | 0 | 0 | 107 | ||||
| 89 | P | 44.9 | Very low | 39 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | -136.2 | 150.5 | 109.6 | 37.2 | -28.1 | 0 | 0 | 0 | 113.2 | |||||
| 90 | A | 35.8 | Very low | 38.3 | Very low | 84 Ų | 84 | 135.5 Ų | 135.5 | 69% | 0.694 | 81% | 0.807 | S | S | * | * | trans | -81 | 149.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 91 | S | 33 | Very low | 37.2 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | 164.9 | 161.2 | 129.7 | -78.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 92 | L | 33.7 | Very low | 36.7 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | 65.9 | 97.3 | 151.3 | -75.5 | 157.6 | 0 | 0 | 0 | 119.6 | ||||
| 93 | L | 30.2 | Very low | 37 | Very low | 165 Ų | 165 | 128.7 Ų | 128.7 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | 63.4 | 129.5 | 105.1 | -173.6 | 75.2 | 0 | 0 | 0 | 119.1 | |||||
| 94 | G | 27.3 | Very low | 36.3 | Very low | 65 Ų | 65 | 132.2 Ų | 132.2 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | trans | 146.6 | 74.5 | 140.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 95 | N | 30.5 | Very low | 35.7 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -155.5 | 114.2 | 134.5 | -136.2 | -38 | 0 | 0 | 0 | 113.3 | ||||
| 96 | Q | 34.3 | Very low | 35.4 | Very low | 194 Ų | 194 | 125.4 Ų | 125.4 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | -138.1 | 135.3 | 153.9 | -80.2 | -161.4 | 104.6 | 0 | 0 | 106.3 | ||||
| 97 | Q | 36.1 | Very low | 34.9 | Very low | 167 Ų | 167 | 125.1 Ų | 125.1 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | trans | -137.9 | 104 | 161.9 | -162.4 | 163 | 16.9 | 0 | 0 | 109.4 | ||||
| 98 | E | 30 | Very low | 34.8 | Very low | 184 Ų | 184 | 127 Ų | 127 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | 36 | 138.7 | 157.4 | -55.5 | -170.1 | 90.2 | 0 | 0 | 122 | ||||
| 99 | G | 29.2 | Very low | 34.2 | Very low | 74 Ų | 74 | 123.5 Ų | 123.5 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -93.6 | -136.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 100 | P | 43 | Very low | 33.3 | Very low | 136 Ų | 136 | 123.8 Ų | 123.8 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | cis | -121.4 | -169.4 | 12.6 | 41.4 | -27.2 | 0 | 0 | 0 | 115.2 | ||||
| 101 | S | 31.6 | Very low | 32.9 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -98.8 | -153.2 | -175.9 | 58 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 102 | P | 46.3 | Very low | 32.8 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | cis | -135.2 | -153.2 | -5.7 | 46.4 | -27 | 0 | 0 | 0 | 111.8 | ||||
| 103 | P | 49.1 | Very low | 32.6 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | cis | -126.3 | 168.1 | -16.8 | 31.3 | -11.5 | 0 | 0 | 0 | 115.7 | ||||
| 104 | Q | 32.4 | Very low | 32.6 | Very low | 203 Ų | 203 | 126.3 Ų | 126.3 | 95% | 0.949 | 79% | 0.788 | S | S | * | * | trans | -103 | 171.4 | 159.6 | -69.6 | -179.8 | -20.8 | 0 | 0 | 110.4 | ||||
| 105 | G | 26.3 | Very low | 33.1 | Very low | 77 Ų | 77 | 131 Ų | 131 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -148.2 | 112.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 106 | G | 30.7 | Very low | 33.1 | Very low | 80 Ų | 80 | 130.7 Ų | 130.7 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | 77 | 153.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 107 | A | 32.6 | Very low | 33.4 | Very low | 88 Ų | 88 | 131.3 Ų | 131.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | cis | -165.6 | 154.2 | -15.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 108 | T | 31.1 | Very low | 33.2 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | trans | 49.4 | 121 | 155.6 | 51.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 109 | A | 29.4 | Very low | 33.5 | Very low | 82 Ų | 82 | 131.2 Ų | 131.2 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | 61.2 | 108.3 | 68.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 110 | C | 26.1 | Very low | 33.7 | Very low | 127 Ų | 127 | 138 Ų | 138 | 86% | 0.858 | 81% | 0.811 | S | S | * | * | 81.7 | 160.2 | 75.4 | -63.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 111 | E | 28.6 | Very low | 33.3 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | cis | -144.7 | -169.5 | 23.7 | -54.2 | -178.3 | 118.8 | 0 | 0 | 114.2 | ||||
| 112 | M | 30.9 | Very low | 33.4 | Very low | 149 Ų | 149 | 146.3 Ų | 146.3 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | trans | 22.3 | 140.2 | 156.7 | -87.9 | 74 | 79.5 | 0 | 0 | 124 | ||||
| 113 | S | 29.4 | Very low | 32.6 | Very low | 123 Ų | 123 | 150.2 Ų | 150.2 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | 177.3 | 171.7 | 93 | -158.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 114 | D | 29.9 | Very low | 31.9 | Very low | 123 Ų | 123 | 154.1 Ų | 154.1 | 66% | 0.658 | 83% | 0.83 | S | S | * | * | trans | -95.1 | 154.9 | -162.1 | -96.2 | -87.9 | 0 | 0 | 0 | 117.9 | ||||
| 115 | Q | 37.3 | Very low | 31.8 | Very low | 165 Ų | 165 | 150.5 Ų | 150.5 | 77% | 0.771 | 83% | 0.827 | S | S | * | * | trans | 24 | 136.3 | 142.5 | -60.1 | 175.1 | 70.6 | 0 | 0 | 122 | ||||
| 116 | T | 30.7 | Very low | 32 | Very low | 144 Ų | 144 | 150.4 Ų | 150.4 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | -165.6 | 151 | 120.7 | 13.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 117 | K | 39.8 | Very low | 32 | Very low | 207 Ų | 207 | 156.8 Ų | 156.8 | 90% | 0.9 | 83% | 0.832 | S | S | * | * | trans | -123.2 | 124 | 169.5 | -71 | 176.4 | 179.7 | 170 | 0 | 110 | ||||
| 118 | T | 32.4 | Very low | 32.1 | Very low | 145 Ų | 145 | 159.8 Ų | 159.8 | 89% | 0.89 | 83% | 0.828 | S | S | * | * | trans | -138.9 | 166.7 | 164.8 | 61.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 119 | K | 36.4 | Very low | 32.5 | Very low | 205 Ų | 205 | 159.3 Ų | 159.3 | 89% | 0.891 | 83% | 0.827 | S | S | * | * | trans | -151.4 | 118 | -158 | 170.4 | -173.3 | 178.6 | 180 | 0 | 111.2 | ||||
| 120 | K | 34.5 | Very low | 32.4 | Very low | 215 Ų | 215 | 160 Ų | 160 | 94% | 0.935 | 83% | 0.827 | S | S | * | * | trans | -154.3 | 144.2 | 167.1 | -137.1 | 164.2 | -173.2 | 171.1 | 0 | 114.5 | ||||
| 121 | K | 34.3 | Very low | 32.6 | Very low | 202 Ų | 202 | 159 Ų | 159 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | trans | -90.4 | 154.9 | 176.4 | -62.9 | 175.9 | 176.2 | 176.4 | 0 | 111.4 | ||||
| 122 | K | 33.3 | Very low | 32.8 | Very low | 215 Ų | 215 | 157 Ų | 157 | 94% | 0.935 | 82% | 0.818 | S | S | * | * | trans | -143.4 | -174.5 | 134.5 | -138.1 | 175.7 | 179.6 | -178.5 | 0 | 111.3 | ||||
| 123 | K | 30.4 | Very low | 32.8 | Very low | 193 Ų | 193 | 157.2 Ų | 157.2 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | trans | -141.4 | 140.4 | -150.5 | -111.1 | -177.5 | 177 | 179.3 | 0 | 113.4 | ||||
| 124 | K | 32.9 | Very low | 32.8 | Very low | 200 Ų | 200 | 155.9 Ų | 155.9 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | 66.7 | 110.5 | 128.9 | -169.9 | -168.2 | 178 | -172.4 | 0 | 121.2 | |||||
| 125 | S | 30.1 | Very low | 33.1 | Very low | 127 Ų | 127 | 158.2 Ų | 158.2 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -159.2 | 159.8 | 138.1 | 51.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 126 | G | 30.3 | Very low | 33 | Very low | 75 Ų | 75 | 159.3 Ų | 159.3 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | cis | -172.3 | 136.3 | -10.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 127 | K | 31.7 | Very low | 33 | Very low | 215 Ų | 215 | 160.7 Ų | 160.7 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | trans | -49.4 | 160.5 | -167.3 | -70.3 | 177.5 | 164 | -172.2 | 0 | 119.7 | ||||
| 128 | K | 34.6 | Very low | 32.9 | Very low | 151 Ų | 151 | 156.1 Ų | 156.1 | 66% | 0.657 | 81% | 0.805 | S | S | * | * | trans | -60 | -179.2 | 154.8 | -48.9 | -172.8 | 171.9 | -169.5 | 0 | 113.3 | D131 | K128-D131 VanDerWaalsContact CD-OD2 3.26Å; K128-D131 WeakPolarHBondContact CD-OD2 3.44Å; K128-D131 IonicContact NZ-OD1 2.75Å; K128-D131 PolarHBondContact NZ-OD1 3.34Å; K128-D131 IonicContact NZ-OD2 3.13Å; K128-D131 PolarHBondContact NZ-OD2 3.06Å; K128-D131 VanDerWaalsContact NZ-OD2 3.13Å | ||
| 129 | P | 39.1 | Very low | 32.9 | Very low | 119 Ų | 119 | 154.3 Ų | 154.3 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | cis | -77.5 | -176.3 | 27.5 | 31.4 | -39.1 | 0 | 0 | 0 | 115.4 | ||||
| 130 | S | 28 | Very low | 33.2 | Very low | 98 Ų | 98 | 152.1 Ų | 152.1 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | cis | -147.4 | 162.9 | -4.1 | -124.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 131 | D | 29 | Very low | 33.5 | Very low | 104 Ų | 104 | 150 Ų | 150 | 56% | 0.556 | 78% | 0.781 | S | S | * | * | cis | 85.5 | 89.4 | -0.5 | -39.7 | -76 | 0 | 0 | 0 | 117.7 | K128 | K128-D131 VanDerWaalsContact CD-OD2 3.26Å; K128-D131 WeakPolarHBondContact CD-OD2 3.44Å; K128-D131 IonicContact NZ-OD1 2.75Å; K128-D131 PolarHBondContact NZ-OD1 3.34Å; K128-D131 IonicContact NZ-OD2 3.13Å; K128-D131 PolarHBondContact NZ-OD2 3.06Å; K128-D131 VanDerWaalsContact NZ-OD2 3.13Å | ||
| 132 | S | 32.8 | Very low | 34.1 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | -158.6 | 119.2 | 160.2 | -91.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 133 | D | 30.9 | Very low | 34.7 | Very low | 153 Ų | 153 | 143.1 Ų | 143.1 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 35 | 133 | 155.2 | -131.2 | -124.4 | 0 | 0 | 0 | 127 | ||||
| 134 | T | 29.9 | Very low | 35.3 | Very low | 94 Ų | 94 | 141.7 Ų | 141.7 | 58% | 0.577 | 75% | 0.752 | S | S | * | * | trans | 66.8 | 115.3 | 139.7 | -71 | 0 | 0 | 0 | 0 | 124 | ||||
| 135 | Q | 36.9 | Very low | 36.3 | Very low | 173 Ų | 173 | 139 Ų | 139 | 81% | 0.808 | 74% | 0.743 | S | S | * | * | trans | 44.4 | 115 | 144.6 | -59.8 | 174.9 | 25.9 | 0 | 0 | 120.4 | ||||
| 136 | Q | 34.4 | Very low | 37.6 | Very low | 187 Ų | 187 | 138.3 Ų | 138.3 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | -153.6 | 141.6 | 88.7 | -101.6 | 170.6 | 9 | 0 | 0 | 110.9 | P138 | Q136-P138 WeakPolarHBondContact O-CD 3.28Š| |||
| 137 | K | 32 | Very low | 39.3 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | trans | -90 | 116.6 | -179.7 | 174.9 | -176.3 | 178.6 | -174.1 | 0 | 109.1 | T139 | K137-T139 PolarHBondContact O-N 3.45Š| ||
| 138 | P | 36.9 | Very low | 41.5 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 71% | 0.714 | 70% | 0.702 | S | S | * | * | trans | -64.5 | 132.3 | 160.1 | -12 | 28 | 0 | 0 | 0 | 108.1 | Q136 E140 | Q136-P138 WeakPolarHBondContact O-CD 3.28Å; P138-E140 PolarHBondContact O-N 2.86Å; P138-E140 VanDerWaalsContact O-N 3.14Å | ||
| 139 | T | 33.3 | Very low | 44.2 | Very low | 108 Ų | 108 | 132 Ų | 132 | 66% | 0.663 | 69% | 0.689 | S | S | * | * | trans | -67.8 | 113 | 177.7 | -58.7 | 0 | 0 | 0 | 0 | 109.7 | K137 E141 | K137-T139 PolarHBondContact O-N 3.45Å; T139-E141 HydrophobicContact CG2-CB 4.28Å; T139-E141 PolarHBondContact O-N 3.4Å | ||
| 140 | E | 41.9 | Very low | 46.5 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | trans | -73.4 | 72.3 | 171.6 | -67.5 | 176.9 | 122.6 | 0 | 0 | 110.7 | P138 | P138-E140 PolarHBondContact O-N 2.86Å; P138-E140 VanDerWaalsContact O-N 3.14Å | ||
| 141 | E | 40.1 | Very low | 49.4 | Very low | 170 Ų | 170 | 133 Ų | 133 | 79% | 0.794 | 68% | 0.682 | S | S | * | * | trans | -85.2 | -10.6 | 173.3 | 63.8 | -168 | 142.6 | 0 | 0 | 113.1 | T139 Q143 | T139-E141 HydrophobicContact CG2-CB 4.28Å; T139-E141 PolarHBondContact O-N 3.4Å; E141-Q143 PolarHBondContact O-N 3.43Å | ||
| 142 | N | 46.8 | Very low | 52.5 | Low | 108 Ų | 108 | 133.1 Ų | 133.1 | 58% | 0.578 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 50.1 | -179.9 | -166.5 | 7.9 | 0 | 0 | 0 | 112.9 | ||
| 143 | Q | 45.8 | Very low | 55.3 | Low | 164 Ų | 164 | 132.4 Ų | 132.4 | 77% | 0.766 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.6 | 21.2 | 166.8 | -128.3 | 152.7 | 114.5 | 0 | 0 | 116.2 | E141 E145 | E141-Q143 PolarHBondContact O-N 3.43Å; Q143-E145 PolarHBondContact O-N 3.17Å |
| 144 | K | 43.4 | Very low | 58.2 | Low | 164 Ų | 164 | 125.7 Ų | 125.7 | 71% | 0.713 | 63% | 0.626 | S | S | * | * | trans | -77 | 70.7 | 155.9 | -153.7 | -166.8 | -172.5 | -155.3 | 0 | 109.1 | E146 | K144-E146 HydrophobicContact CD-CG 3.68Å; K144-E146 HydrophobicContact CG-CG 3.83Å; K144-E146 IonicContact NZ-OE1 2.66Å; K144-E146 PolarHBondContact NZ-OE1 2.91Å; K144-E146 PolarHBondContact O-N 3.03Å | ||
| 145 | E | 54.4 | Low | 61.2 | Low | 143 Ų | 143 | 124.6 Ų | 124.6 | 67% | 0.668 | 62% | 0.617 | S | S | * | * | trans | -64.4 | 101.8 | 142.2 | -68.9 | -155.3 | 150 | 0 | 0 | 104.7 | Q143 E147 K218 | Q143-E145 PolarHBondContact O-N 3.17Å; E145-E147 PolarHBondContact O-N 3.45Å; E145-K218 IonicContact OE1-NZ 2.85Å; E145-K218 PolarHBondContact OE1-NZ 3.47Å; E145-K218 VanDerWaalsContact OE1-NZ 3.15Å | ||
| 146 | E | 57.9 | Low | 63.9 | Low | 112 Ų | 112 | 123.5 Ų | 123.5 | 52% | 0.523 | 61% | 0.605 | S | S | . | * | trans | -55.1 | 140.5 | 170.4 | -61.7 | -173.6 | 121.6 | 0 | 0 | 107.6 | K144 L148 | K144-E146 HydrophobicContact CD-CG 3.68Å; K144-E146 HydrophobicContact CG-CG 3.83Å; K144-E146 IonicContact NZ-OE1 2.66Å; K144-E146 PolarHBondContact NZ-OE1 2.91Å; K144-E146 PolarHBondContact O-N 3.03Å; E146-L148 HydrophobicContact CB-CD2 4.29Å; E146-L148 HydrophobicContact CB-CG 4.41Å; E146-L148 PolarHBondContact O-N 2.95Å | ||
| 147 | E | 65.5 | Low | 66.8 | Low | 202 Ų | 202 | 114.7 Ų | 114.7 | 94% | 0.944 | 56% | 0.564 | S | S | * | * | trans | -69.3 | 69.1 | 169.1 | -68.8 | -168.1 | 124.6 | 0 | 0 | 108.7 | E145 S149 | E145-E147 PolarHBondContact O-N 3.45Å; E147-S149 PolarHBondContact O-N 2.8Å | ||
| 148 | L | 78 | Confident | 69.8 | Low | 53 Ų | 53 | 106.7 Ų | 106.7 | 28% | 0.277 | 53% | 0.53 | S | S | . | . | trans | -54.1 | 131.3 | 174.7 | -68.2 | 177.2 | 0 | 0 | 0 | 107.4 | E146 E152 Q153 | E146-L148 HydrophobicContact CB-CD2 4.29Å; E146-L148 HydrophobicContact CB-CG 4.41Å; E146-L148 PolarHBondContact O-N 2.95Å; L148-E152 WeakPolarHBondContact CA-OE2 3.33Å; L148-E152 HydrophobicContact CB-CB 4.09Å; L148-E152 HydrophobicContact CD2-CB 4.35Å; L148-Q153 HydrophobicContact CB-CB 4.48Å | ||
| 149 | S | 90.1 | Very high | 72.6 | Confident | 53 Ų | 53 | 106.4 Ų | 106.4 | 37% | 0.371 | 52% | 0.522 | S | S | . | . | trans | -49.1 | 143.6 | 173.5 | 170.3 | 0 | 0 | 0 | 0 | 109.6 | E147 E151 E152 Q153 | E147-S149 PolarHBondContact O-N 2.8Å; S149-E151 CarbonylContact O-C 3.55Å; S149-E151 PolarHBondContact O-N 3.02Å; S149-E151 PolarHBondContact OG-N 3.2Å; S149-E152 WeakPolarHBondContact CB-OE2 3.39Å; S149-E152 PolarHBondContact N-OE2 2.82Å; S149-E152 WeakPolarHBondContact O-CA 3.46Å; S149-E152 WeakPolarHBondContact O-CB 3.29Å; S149-E152 PolarHBondContact O-N 3.06Å; S149-Q153 PolarHBondContact O-N 2.94Å | ||
| 150 | P | 88.7 | Confident | 75.6 | Confident | 107 Ų | 107 | 102.7 Ų | 102.7 | 70% | 0.695 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -53.3 | -21.2 | 176 | -28.8 | 36.1 | 0 | 0 | 0 | 114.1 | L154 | P150-L154 WeakPolarHBondContact O-CB 3.45Å; P150-L154 PolarHBondContact O-N 3.38Å |
| 151 | E | 89.6 | Confident | 78.1 | Confident | 133 Ų | 133 | 95.1 Ų | 95.1 | 62% | 0.621 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -78.6 | -42.6 | 169.8 | 178.8 | 158.4 | -158.2 | 0 | 0 | 113.5 | S149 L154 N155 | S149-E151 CarbonylContact O-C 3.55Å; S149-E151 PolarHBondContact O-N 3.02Å; S149-E151 PolarHBondContact OG-N 3.2Å; E151-L154 WeakPolarHBondContact O-CB 3.29Å; E151-L154 PolarHBondContact O-N 2.86Å; E151-N155 WeakPolarHBondContact O-CB 3.46Å; E151-N155 PolarHBondContact O-N 3.37Å; E151-N155 PolarHBondContact O-ND2 3.35Å; E151-N155 VanDerWaalsContact O-ND2 3.1Å |
| 152 | E | 92.4 | Very high | 80.7 | Confident | 106 Ų | 106 | 87.8 Ų | 87.8 | 50% | 0.495 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64 | -42.7 | 175.5 | -68.1 | 172.9 | 137.1 | 0 | 0 | 111.5 | L148 S149 L154 N155 R156 | L148-E152 WeakPolarHBondContact CA-OE2 3.33Å; L148-E152 HydrophobicContact CB-CB 4.09Å; L148-E152 HydrophobicContact CD2-CB 4.35Å; S149-E152 WeakPolarHBondContact CB-OE2 3.39Å; S149-E152 PolarHBondContact N-OE2 2.82Å; S149-E152 WeakPolarHBondContact O-CA 3.46Å; S149-E152 WeakPolarHBondContact O-CB 3.29Å; S149-E152 PolarHBondContact O-N 3.06Å; E152-L154 VanDerWaalsContact C-N 3.33Å; E152-L154 PolarHBondContact O-N 3.39Å; E152-N155 PolarHBondContact O-N 2.74Å; E152-N155 VanDerWaalsContact O-N 3.16Å; E152-R156 PolarHBondContact O-N 2.94Å |
| 153 | Q | 92.1 | Very high | 83 | Confident | 108 Ų | 108 | 87.6 Ų | 87.6 | 51% | 0.505 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 174.7 | -162.4 | 177.7 | 37.4 | 0 | 0 | 111.2 | L148 S149 R156 E157 | L148-Q153 HydrophobicContact CB-CB 4.48Å; S149-Q153 PolarHBondContact O-N 2.94Å; Q153-R156 PolarHBondContact O-N 3.5Å; Q153-E157 VanDerWaalsContact O-CG 3.27Å; Q153-E157 WeakPolarHBondContact O-CG 3.31Å; Q153-E157 PolarHBondContact O-N 2.89Å |
| 154 | L | 91.4 | Very high | 85.4 | Confident | 12 Ų | 12 | 82.9 Ų | 82.9 | 6% | 0.063 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 170.9 | 171.2 | 60.9 | 0 | 0 | 0 | 112.2 | P150 E151 E152 R156 E157 L158 L196 R200 | P150-L154 WeakPolarHBondContact O-CB 3.45Å; P150-L154 PolarHBondContact O-N 3.38Å; E151-L154 WeakPolarHBondContact O-CB 3.29Å; E151-L154 PolarHBondContact O-N 2.86Å; E152-L154 VanDerWaalsContact C-N 3.33Å; E152-L154 PolarHBondContact O-N 3.39Å; L154-R156 VanDerWaalsContact C-N 3.29Å; L154-R156 PolarHBondContact O-N 3.46Å; L154-E157 PolarHBondContact O-N 3.34Å; L154-L158 HydrophobicContact CD1-CD1 3.99Å; L154-L158 HydrophobicContact CD1-CG 3.93Å; L154-L158 HydrophobicContact CG-CD1 3.89Å; L154-L158 HydrophobicContact CG-CG 4.31Å; L154-L158 VanDerWaalsContact O-CB 3.32Å; L154-L158 WeakPolarHBondContact O-CB 3.49Å; L154-L158 VanDerWaalsContact O-CG 3.26Å; L154-L158 WeakPolarHBondContact O-CG 3.48Å; L154-L158 PolarHBondContact O-N 2.89Å; L154-L196 HydrophobicContact CD2-CD1 3.48Å; L154-L196 VanDerWaalsContact CD2-CD1 3.48Å; L154-L196 HydrophobicContact CD2-CG 3.65Å; L154-R200 HydrophobicContact CD1-CG 4.27Å |
| 155 | N | 92.9 | Very high | 87.7 | Confident | 70 Ų | 70 | 76.1 Ų | 76.1 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.9 | -34.9 | 177.6 | -76.3 | -43.6 | 0 | 0 | 0 | 111.5 | E151 E152 L158 N159 | E151-N155 WeakPolarHBondContact O-CB 3.46Å; E151-N155 PolarHBondContact O-N 3.37Å; E151-N155 PolarHBondContact O-ND2 3.35Å; E151-N155 VanDerWaalsContact O-ND2 3.1Å; E152-N155 PolarHBondContact O-N 2.74Å; E152-N155 VanDerWaalsContact O-N 3.16Å; N155-L158 PolarHBondContact O-N 3.41Å; N155-N159 WeakPolarHBondContact O-CB 3.32Å; N155-N159 VanDerWaalsContact O-CG 3.24Å; N155-N159 PolarHBondContact O-N 3.02Å; N155-N159 PolarHBondContact O-ND2 3.26Å |
| 156 | R | 94.7 | Very high | 89.6 | Confident | 150 Ų | 150 | 72.6 Ų | 72.6 | 57% | 0.566 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.1 | -48.3 | 170.4 | -169.1 | 176.2 | -176.9 | 177.9 | 2.4 | 112.2 | E152 Q153 L154 L158 N159 W160 | E152-R156 PolarHBondContact O-N 2.94Å; Q153-R156 PolarHBondContact O-N 3.5Å; L154-R156 VanDerWaalsContact C-N 3.29Å; L154-R156 PolarHBondContact O-N 3.46Å; R156-L158 VanDerWaalsContact C-N 3.28Å; R156-L158 PolarHBondContact O-N 3.02Å; R156-N159 PolarHBondContact O-N 2.99Å; R156-W160 WeakPolarHBondContact O-CB 3.45Å; R156-W160 PolarHBondContact O-N 3.47Å |
| 157 | E | 94.5 | Very high | 91.3 | Very high | 3 Ų | 3 | 71 Ų | 71 | 1% | 0.014 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.1 | -41.1 | 174 | -68.3 | 170 | 151.5 | 0 | 0 | 111.8 | Q153 L154 C161 R200 M203 Y210 R211 M214 | Q153-E157 VanDerWaalsContact O-CG 3.27Å; Q153-E157 WeakPolarHBondContact O-CG 3.31Å; Q153-E157 PolarHBondContact O-N 2.89Å; L154-E157 PolarHBondContact O-N 3.34Å; E157-C161 WeakPolarHBondContact O-CB 3.31Å; E157-C161 PolarHBondContact O-N 2.89Å; E157-C161 PolarHBondContact O-SG 2.87Å; E157-R200 IonicContact OE1-NH1 3.77Å; E157-R200 IonicContact OE2-CZ 3.54Å; E157-R200 IonicContact OE2-NH1 2.66Å; E157-R200 PolarHBondContact OE2-NH1 2.69Å; E157-R200 IonicContact OE2-NH2 3.59Å; E157-M203 VanDerWaalsContact C-CE 3.46Å; E157-M203 HydrophobicContact CB-CE 3.62Å; E157-M203 WeakPolarHBondContact O-CE 3.25Å; E157-Y210 HydrophobicContact CB-CD2 4.22Å; E157-Y210 HydrophobicContact CB-CE2 3.9Å; E157-Y210 HydrophobicContact CG-CD2 4.18Å; E157-Y210 HydrophobicContact CG-CE2 3.75Å; E157-R211 IonicContact OE1-CZ 3.17Å; E157-R211 IonicContact OE1-NE 2.72Å; E157-R211 PolarHBondContact OE1-NE 3.39Å; E157-R211 IonicContact OE1-NH2 2.75Å; E157-R211 PolarHBondContact OE1-NH2 3.48Å; E157-R211 IonicContact OE2-NH2 3.86Å; E157-M214 HydrophobicContact CB-CE 4.39Å; E157-M214 HydrophobicContact CG-CE 3.75Å |
| 158 | L | 95.1 | Very high | 92.5 | Very high | 6 Ų | 6 | 63.2 Ų | 63.2 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.4 | -50.6 | 178.6 | -80.6 | 169.5 | 0 | 0 | 0 | 112.3 | L154 N155 R156 W160 C161 I162 L189 K199 M203 | L154-L158 HydrophobicContact CD1-CD1 3.99Å; L154-L158 HydrophobicContact CD1-CG 3.93Å; L154-L158 HydrophobicContact CG-CD1 3.89Å; L154-L158 HydrophobicContact CG-CG 4.31Å; L154-L158 VanDerWaalsContact O-CB 3.32Å; L154-L158 WeakPolarHBondContact O-CB 3.49Å; L154-L158 VanDerWaalsContact O-CG 3.26Å; L154-L158 WeakPolarHBondContact O-CG 3.48Å; L154-L158 PolarHBondContact O-N 2.89Å; N155-L158 PolarHBondContact O-N 3.41Å; R156-L158 VanDerWaalsContact C-N 3.28Å; R156-L158 PolarHBondContact O-N 3.02Å; L158-W160 VanDerWaalsContact C-N 3.32Å; L158-W160 PolarHBondContact O-N 2.73Å; L158-C161 PolarHBondContact O-N 3.48Å; L158-I162 WeakPolarHBondContact O-CB 3.46Å; L158-I162 VanDerWaalsContact O-CG1 3.3Å; L158-I162 WeakPolarHBondContact O-CG1 3.39Å; L158-I162 PolarHBondContact O-N 2.93Å; L158-L189 HydrophobicContact CD2-CB 4.3Å; L158-L189 HydrophobicContact CD2-CD2 3.77Å; L158-K199 HydrophobicContact CD1-CD 3.99Å; L158-K199 HydrophobicContact CD2-CB 4.18Å; L158-K199 HydrophobicContact CD2-CD 3.9Å; L158-M203 HydrophobicContact CD2-CE 4.14Å; L158-M203 HydrophobicContact CD2-CG 4.43Å; L158-M203 HydrophobicContact CD2-SD 3.53Å; L158-M203 VanDerWaalsContact CD2-SD 3.53Å; L158-M203 HydrophobicContact CG-CE 4.27Å; L158-M203 HydrophobicContact CG-SD 4.18Å |
| 159 | N | 95.9 | Very high | 93 | Very high | 103 Ų | 103 | 63.5 Ų | 63.5 | 55% | 0.551 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.3 | -42.7 | -179.3 | -75.8 | -24.5 | 0 | 0 | 0 | 111 | N155 R156 I162 E163 | N155-N159 WeakPolarHBondContact O-CB 3.32Å; N155-N159 VanDerWaalsContact O-CG 3.24Å; N155-N159 PolarHBondContact O-N 3.02Å; N155-N159 PolarHBondContact O-ND2 3.26Å; R156-N159 PolarHBondContact O-N 2.99Å; N159-I162 WeakPolarHBondContact O-CB 3.16Å; N159-I162 PolarHBondContact O-N 3.27Å; N159-E163 PolarHBondContact O-N 2.98Å |
| 160 | W | 95.8 | Very high | 93 | Very high | 31 Ų | 31 | 68.9 Ų | 68.9 | 12% | 0.117 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 174.3 | -174.7 | 86.6 | 0 | 0 | 0 | 112 | R156 L158 I162 E163 Q164 T207 K213 M214 | R156-W160 WeakPolarHBondContact O-CB 3.45Å; R156-W160 PolarHBondContact O-N 3.47Å; L158-W160 VanDerWaalsContact C-N 3.32Å; L158-W160 PolarHBondContact O-N 2.73Å; W160-I162 VanDerWaalsContact C-N 3.31Å; W160-I162 PolarHBondContact O-N 3.47Å; W160-E163 PolarHBondContact O-N 3.25Å; W160-Q164 HydrophobicContact CD2-CG 3.87Å; W160-Q164 HydrophobicContact CE3-CG 3.94Å; W160-Q164 HydrophobicContact CH2-CG 3.55Å; W160-Q164 HydrophobicContact CZ2-CG 3.5Å; W160-Q164 HydrophobicContact CZ3-CG 3.79Å; W160-Q164 WeakPolarHBondContact O-CG 3.35Å; W160-Q164 PolarHBondContact O-N 3.02Å; W160-T207 HydrophobicContact CH2-CG2 4.01Å; W160-T207 HydrophobicContact CZ3-CG2 3.61Å; W160-K213 HydrophobicContact CH2-CB 3.27Å; W160-K213 HydrophobicContact CH2-CD 3.97Å; W160-K213 HydrophobicContact CH2-CG 4.27Å; W160-K213 HydrophobicContact CZ2-CB 3.69Å; W160-K213 HydrophobicContact CZ3-CB 4.18Å; W160-M214 HydrophobicContact CB-CG 4.04Å; W160-M214 HydrophobicContact CB-SD 3.73Å; W160-M214 HydrophobicContact CD2-CG 3.4Å; W160-M214 HydrophobicContact CD2-SD 4.27Å; W160-M214 HydrophobicContact CE3-CG 3.87Å; W160-M214 HydrophobicContact CG-CG 3.45Å; W160-M214 VanDerWaalsContact CG-CG 3.45Å; W160-M214 HydrophobicContact CG-SD 3.85Å; W160-M214 HydrophobicContact CZ2-CG 4.49Å |
| 161 | C | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 175 | -73.2 | 0 | 0 | 0 | 0 | 113.1 | E157 L158 L165 L189 M203 | E157-C161 WeakPolarHBondContact O-CB 3.31Å; E157-C161 PolarHBondContact O-N 2.89Å; E157-C161 PolarHBondContact O-SG 2.87Å; L158-C161 PolarHBondContact O-N 3.48Å; C161-L165 VanDerWaalsContact O-CG 3.31Å; C161-L165 WeakPolarHBondContact O-CG 3.41Å; C161-L165 PolarHBondContact O-N 3.3Å; C161-L165 VanDerWaalsContact O-N 3.09Å; C161-L189 HydrophobicContact CB-CD1 4.41Å; C161-M203 HydrophobicContact CB-CE 4.33Å; C161-M203 HydrophobicContact CB-CG 4.19Å |
| 162 | I | 95.4 | Very high | 91.9 | Very high | 15 Ų | 15 | 68.4 Ų | 68.4 | 8% | 0.077 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 174.6 | -76.8 | 163.3 | 0 | 0 | 0 | 110.4 | L158 N159 W160 L165 Q166 L186 L189 R190 | L158-I162 WeakPolarHBondContact O-CB 3.46Å; L158-I162 VanDerWaalsContact O-CG1 3.3Å; L158-I162 WeakPolarHBondContact O-CG1 3.39Å; L158-I162 PolarHBondContact O-N 2.93Å; N159-I162 WeakPolarHBondContact O-CB 3.16Å; N159-I162 PolarHBondContact O-N 3.27Å; W160-I162 VanDerWaalsContact C-N 3.31Å; W160-I162 PolarHBondContact O-N 3.47Å; I162-L165 PolarHBondContact O-N 3.46Å; I162-Q166 WeakPolarHBondContact O-CG 3.23Å; I162-Q166 PolarHBondContact O-N 3.45Å; I162-L186 HydrophobicContact CB-CD2 4.06Å; I162-L186 HydrophobicContact CG1-CD2 4.06Å; I162-L186 HydrophobicContact CG2-CD2 3.81Å; I162-L189 HydrophobicContact CD1-CB 4.06Å; I162-L189 HydrophobicContact CG1-CB 3.94Å; I162-L189 HydrophobicContact CG1-CD1 4.08Å; I162-R190 HydrophobicContact CD1-CG 3.75Å; I162-R190 HydrophobicContact CG1-CG 4.43Å |
| 163 | E | 95.1 | Very high | 91 | Very high | 104 Ų | 104 | 72.4 Ų | 72.4 | 49% | 0.486 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.5 | -49 | 177.2 | -173.3 | -177.3 | -173.9 | 0 | 0 | 111.5 | N159 W160 L165 Q166 L167 | N159-E163 PolarHBondContact O-N 2.98Å; W160-E163 PolarHBondContact O-N 3.25Å; E163-L165 VanDerWaalsContact C-N 3.31Å; E163-L165 PolarHBondContact O-N 2.87Å; E163-Q166 CarbonylContact O-C 3.6Å; E163-Q166 PolarHBondContact O-N 2.82Å; E163-L167 HydrophobicContact CG-CD1 3.96Å; E163-L167 HydrophobicContact CG-CG 4.29Å; E163-L167 WeakPolarHBondContact O-CG 3.4Å; E163-L167 PolarHBondContact O-N 3.05Å |
| 164 | Q | 94.2 | Very high | 90.3 | Very high | 66 Ų | 66 | 68.4 Ų | 68.4 | 31% | 0.308 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.5 | -41 | 178.1 | -66.5 | -54.2 | -56.8 | 0 | 0 | 112.5 | W160 L167 G168 | W160-Q164 HydrophobicContact CD2-CG 3.87Å; W160-Q164 HydrophobicContact CE3-CG 3.94Å; W160-Q164 HydrophobicContact CH2-CG 3.55Å; W160-Q164 HydrophobicContact CZ2-CG 3.5Å; W160-Q164 HydrophobicContact CZ3-CG 3.79Å; W160-Q164 WeakPolarHBondContact O-CG 3.35Å; W160-Q164 PolarHBondContact O-N 3.02Å; Q164-L167 PolarHBondContact O-N 3.01Å; Q164-G168 PolarHBondContact O-N 2.84Å |
| 165 | L | 93.7 | Very high | 89.9 | Confident | 21 Ų | 21 | 71.4 Ų | 71.4 | 11% | 0.11 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 174.3 | -71.6 | 171.4 | 0 | 0 | 0 | 111.9 | C161 I162 E163 G168 M169 A182 A185 L186 L189 L206 | C161-L165 VanDerWaalsContact O-CG 3.31Å; C161-L165 WeakPolarHBondContact O-CG 3.41Å; C161-L165 PolarHBondContact O-N 3.3Å; C161-L165 VanDerWaalsContact O-N 3.09Å; I162-L165 PolarHBondContact O-N 3.46Å; E163-L165 VanDerWaalsContact C-N 3.31Å; E163-L165 PolarHBondContact O-N 2.87Å; L165-G168 PolarHBondContact O-N 2.89Å; L165-M169 WeakPolarHBondContact O-CG 3.38Å; L165-M169 PolarHBondContact O-N 2.65Å; L165-A182 HydrophobicContact CD2-CB 3.95Å; L165-A185 HydrophobicContact CD1-CB 4.03Å; L165-L186 HydrophobicContact CB-CD1 4.32Å; L165-L186 HydrophobicContact CB-CD2 3.96Å; L165-L186 HydrophobicContact CB-CG 4.06Å; L165-L186 HydrophobicContact CD1-CD2 4.22Å; L165-L186 HydrophobicContact CD1-CG 4.23Å; L165-L189 HydrophobicContact CD1-CD1 3.86Å; L165-L206 HydrophobicContact CD1-CD1 4.21Å; L165-L206 HydrophobicContact CD2-CB 4.33Å; L165-L206 HydrophobicContact CD2-CD1 4.24Å |
| 166 | Q | 93.9 | Very high | 89.5 | Confident | 70 Ų | 70 | 73.4 Ų | 73.4 | 33% | 0.327 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 175.8 | -71.7 | -178.6 | -88.5 | 0 | 0 | 112.4 | I162 E163 M169 K170 L186 | I162-Q166 WeakPolarHBondContact O-CG 3.23Å; I162-Q166 PolarHBondContact O-N 3.45Å; E163-Q166 CarbonylContact O-C 3.6Å; E163-Q166 PolarHBondContact O-N 2.82Å; Q166-M169 PolarHBondContact O-N 3.23Å; Q166-K170 WeakPolarHBondContact O-CB 3.31Å; Q166-K170 VanDerWaalsContact O-CG 3.29Å; Q166-K170 WeakPolarHBondContact O-CG 3.44Å; Q166-K170 PolarHBondContact O-N 2.95Å; Q166-L186 HydrophobicContact CG-CD1 3.94Å; Q166-L186 HydrophobicContact CG-CD2 4.19Å |
| 167 | L | 92.7 | Very high | 89.2 | Confident | 78 Ų | 78 | 74 Ų | 74 | 41% | 0.408 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 174.6 | -69.2 | 172.4 | 0 | 0 | 0 | 111.2 | E163 Q164 M169 K170 S171 | E163-L167 HydrophobicContact CG-CD1 3.96Å; E163-L167 HydrophobicContact CG-CG 4.29Å; E163-L167 WeakPolarHBondContact O-CG 3.4Å; E163-L167 PolarHBondContact O-N 3.05Å; Q164-L167 PolarHBondContact O-N 3.01Å; L167-M169 VanDerWaalsContact C-N 3.29Å; L167-M169 PolarHBondContact O-N 3.33Å; L167-K170 PolarHBondContact O-N 3.12Å; L167-S171 VanDerWaalsContact O-CB 3.25Å; L167-S171 WeakPolarHBondContact O-CB 3.33Å; L167-S171 PolarHBondContact O-N 3.01Å |
| 168 | G | 91.1 | Very high | 88.9 | Confident | 39 Ų | 39 | 79 Ų | 79 | 40% | 0.402 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.9 | -19.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q164 L165 | Q164-G168 PolarHBondContact O-N 2.84Å; L165-G168 PolarHBondContact O-N 2.89Å |
| 169 | M | 88.6 | Confident | 88.7 | Confident | 58 Ų | 58 | 81.3 Ų | 81.3 | 29% | 0.286 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -86.4 | -41.1 | 170.3 | -73.7 | -179 | 73 | 0 | 0 | 112.6 | L165 Q166 L167 K179 A182 L186 | L165-M169 WeakPolarHBondContact O-CG 3.38Å; L165-M169 PolarHBondContact O-N 2.65Å; Q166-M169 PolarHBondContact O-N 3.23Å; L167-M169 VanDerWaalsContact C-N 3.29Å; L167-M169 PolarHBondContact O-N 3.33Å; M169-K179 WeakPolarHBondContact CE-O 3.34Å; M169-K179 WeakPolarHBondContact O-CE 3.29Å; M169-K179 PolarHBondContact O-NZ 2.67Å; M169-A182 HydrophobicContact CG-CB 3.82Å; M169-A182 HydrophobicContact SD-CB 3.71Å; M169-L186 HydrophobicContact SD-CD1 3.89Å |
| 170 | K | 89.4 | Confident | 88.5 | Confident | 167 Ų | 167 | 81.1 Ų | 81.1 | 73% | 0.726 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.9 | -53.6 | 175.7 | -74.9 | 172.7 | 177.3 | -177.2 | 0 | 110.8 | Q166 L167 Q172 | Q166-K170 WeakPolarHBondContact O-CB 3.31Å; Q166-K170 VanDerWaalsContact O-CG 3.29Å; Q166-K170 WeakPolarHBondContact O-CG 3.44Å; Q166-K170 PolarHBondContact O-N 2.95Å; L167-K170 PolarHBondContact O-N 3.12Å; K170-Q172 PolarHBondContact O-N 2.89Å |
| 171 | S | 84.6 | Confident | 88.4 | Confident | 55 Ų | 55 | 84.4 Ų | 84.4 | 39% | 0.385 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -70.4 | 124.6 | 173.5 | -161.6 | 0 | 0 | 0 | 0 | 109 | L167 K173 | L167-S171 VanDerWaalsContact O-CB 3.25Å; L167-S171 WeakPolarHBondContact O-CB 3.33Å; L167-S171 PolarHBondContact O-N 3.01Å; S171-K173 PolarHBondContact O-N 3.34Å; S171-K173 WeakPolarHBondContact OG-CG 3.14Å |
| 172 | Q | 72.3 | Confident | 88.3 | Confident | 175 Ų | 175 | 84.8 Ų | 84.8 | 82% | 0.818 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | 24.9 | -172.3 | -167 | 164.1 | -39.1 | 0 | 0 | 114.4 | K170 | K170-Q172 PolarHBondContact O-N 2.89Š|
| 173 | K | 72.3 | Confident | 88.2 | Confident | 189 Ų | 189 | 85.7 Ų | 85.7 | 82% | 0.822 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -20.5 | -174.7 | -55.7 | -70 | -176.5 | 175.5 | 0 | 113.9 | S171 | S171-K173 PolarHBondContact O-N 3.34Å; S171-K173 WeakPolarHBondContact OG-CG 3.14Å |
| 174 | G | 76.8 | Confident | 88.1 | Confident | 24 Ų | 24 | 87.9 Ų | 87.9 | 25% | 0.247 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -96.5 | 146.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 175 | T | 83.2 | Confident | 88.1 | Confident | 75 Ų | 75 | 84.9 Ų | 84.9 | 46% | 0.46 | 43% | 0.428 | S | S | . | . | trans | -60.2 | 155 | 172 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | K177 Q178 K179 | T175-K177 PolarHBondContact O-N 3.48Å; T175-Q178 PolarHBondContact O-N 2.96Å; T175-Q178 VanDerWaalsContact OG1-CD 3.26Å; T175-Q178 VanDerWaalsContact OG1-CG 3.31Å; T175-Q178 WeakPolarHBondContact OG1-CG 3.37Å; T175-Q178 PolarHBondContact OG1-N 2.83Å; T175-Q178 PolarHBondContact OG1-OE1 3.43Å; T175-K179 PolarHBondContact O-N 3.42Å | ||
| 176 | P | 85.5 | Confident | 88.2 | Confident | 113 Ų | 113 | 84.8 Ų | 84.8 | 73% | 0.734 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -57.5 | -35.5 | 179.6 | 21.3 | -33.2 | 0 | 0 | 0 | 112.9 | K179 E180 | P176-K179 PolarHBondContact O-N 2.84Å; P176-E180 PolarHBondContact O-N 3.46Å |
| 177 | K | 87.4 | Confident | 88.2 | Confident | 163 Ų | 163 | 88.9 Ų | 88.9 | 71% | 0.709 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62 | -44.8 | 174.8 | -171.5 | 177.4 | 179.7 | -178.3 | 0 | 112.2 | T175 K179 E180 E181 | T175-K177 PolarHBondContact O-N 3.48Å; K177-K179 VanDerWaalsContact C-N 3.33Å; K177-K179 PolarHBondContact O-N 2.65Å; K177-E180 PolarHBondContact O-N 2.85Å; K177-E181 WeakPolarHBondContact O-CB 3.45Å; K177-E181 PolarHBondContact O-N 3.05Å |
| 178 | Q | 89.4 | Confident | 88.3 | Confident | 106 Ų | 106 | 87 Ų | 87 | 50% | 0.495 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65 | -35 | 175.2 | -72.9 | 163.1 | -44 | 0 | 0 | 112.2 | T175 A182 | T175-Q178 PolarHBondContact O-N 2.96Å; T175-Q178 VanDerWaalsContact OG1-CD 3.26Å; T175-Q178 VanDerWaalsContact OG1-CG 3.31Å; T175-Q178 WeakPolarHBondContact OG1-CG 3.37Å; T175-Q178 PolarHBondContact OG1-N 2.83Å; T175-Q178 PolarHBondContact OG1-OE1 3.43Å; Q178-A182 VanDerWaalsContact O-CB 3.23Å; Q178-A182 WeakPolarHBondContact O-CB 3.42Å; Q178-A182 PolarHBondContact O-N 3.14Å |
| 179 | K | 90.6 | Very high | 88.5 | Confident | 56 Ų | 56 | 85.2 Ų | 85.2 | 24% | 0.243 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 173.5 | -65.2 | -163.3 | -179.7 | -157.4 | 0 | 111.9 | M169 T175 P176 K177 S183 | M169-K179 WeakPolarHBondContact CE-O 3.34Å; M169-K179 WeakPolarHBondContact O-CE 3.29Å; M169-K179 PolarHBondContact O-NZ 2.67Å; T175-K179 PolarHBondContact O-N 3.42Å; P176-K179 PolarHBondContact O-N 2.84Å; K177-K179 VanDerWaalsContact C-N 3.33Å; K177-K179 PolarHBondContact O-N 2.65Å; K179-S183 PolarHBondContact O-N 3.31Å |
| 180 | E | 92 | Very high | 88.7 | Confident | 99 Ų | 99 | 89.3 Ų | 89.3 | 46% | 0.463 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.3 | -45 | 175.8 | -153.1 | -146.7 | 149.2 | 0 | 0 | 111.5 | P176 K177 A182 S183 R184 | P176-E180 PolarHBondContact O-N 3.46Å; K177-E180 PolarHBondContact O-N 2.85Å; E180-A182 PolarHBondContact O-N 3.38Å; E180-S183 WeakPolarHBondContact O-CB 3.45Å; E180-S183 PolarHBondContact O-N 3.05Å; E180-S183 PolarHBondContact O-OG 3.41Å; E180-R184 WeakPolarHBondContact O-CG 3.39Å; E180-R184 PolarHBondContact O-N 3.09Å; E180-R184 IonicContact OE1-CZ 2.65Å; E180-R184 IonicContact OE1-NE 3.14Å; E180-R184 PolarHBondContact OE1-NE 2.91Å; E180-R184 IonicContact OE1-NH2 2.65Å; E180-R184 PolarHBondContact OE1-NH2 2.85Å; E180-R184 IonicContact OE2-NH2 2.62Å; E180-R184 PolarHBondContact OE2-NH2 3.06Å |
| 181 | E | 92.5 | Very high | 88.9 | Confident | 99 Ų | 99 | 83.5 Ų | 83.5 | 46% | 0.463 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59 | -46 | 175.6 | -171.9 | 173.1 | 179.6 | 0 | 0 | 111.8 | K177 S183 R184 A185 L206 | K177-E181 WeakPolarHBondContact O-CB 3.45Å; K177-E181 PolarHBondContact O-N 3.05Å; E181-S183 VanDerWaalsContact C-N 3.26Å; E181-S183 PolarHBondContact O-N 3.48Å; E181-R184 PolarHBondContact O-N 2.94Å; E181-R184 VanDerWaalsContact O-N 3.14Å; E181-A185 VanDerWaalsContact O-CB 3.28Å; E181-A185 WeakPolarHBondContact O-CB 3.3Å; E181-A185 PolarHBondContact O-N 3.38Å; E181-L206 HydrophobicContact CG-CD2 4.12Å |
| 182 | A | 92.8 | Very high | 89.1 | Confident | 8 Ų | 8 | 86.6 Ų | 86.6 | 7% | 0.066 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.6 | -35.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L165 M169 Q178 E180 A185 L186 | L165-A182 HydrophobicContact CD2-CB 3.95Å; M169-A182 HydrophobicContact CG-CB 3.82Å; M169-A182 HydrophobicContact SD-CB 3.71Å; Q178-A182 VanDerWaalsContact O-CB 3.23Å; Q178-A182 WeakPolarHBondContact O-CB 3.42Å; Q178-A182 PolarHBondContact O-N 3.14Å; E180-A182 PolarHBondContact O-N 3.38Å; A182-A185 WeakPolarHBondContact O-CB 3.4Å; A182-A185 PolarHBondContact O-N 3.27Å; A182-L186 WeakPolarHBondContact O-CB 3.24Å; A182-L186 VanDerWaalsContact O-CG 3.24Å; A182-L186 WeakPolarHBondContact O-CG 3.43Å; A182-L186 PolarHBondContact O-N 3.42Å |
| 183 | S | 93.6 | Very high | 89.9 | Confident | 35 Ų | 35 | 87.4 Ų | 87.4 | 25% | 0.245 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -69 | -38.2 | 175.4 | 86.4 | 0 | 0 | 0 | 0 | 113 | K179 E180 E181 K187 | K179-S183 PolarHBondContact O-N 3.31Å; E180-S183 WeakPolarHBondContact O-CB 3.45Å; E180-S183 PolarHBondContact O-N 3.05Å; E180-S183 PolarHBondContact O-OG 3.41Å; E181-S183 VanDerWaalsContact C-N 3.26Å; E181-S183 PolarHBondContact O-N 3.48Å; S183-K187 WeakPolarHBondContact O-CG 3.28Å; S183-K187 PolarHBondContact O-N 2.91Å |
| 184 | R | 93.8 | Very high | 90.7 | Very high | 149 Ų | 149 | 79.1 Ų | 79.1 | 56% | 0.562 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -69.6 | -37.9 | 175.3 | -63.5 | 170.6 | 179.2 | -155.4 | 4.1 | 110.7 | E180 E181 T188 | E180-R184 WeakPolarHBondContact O-CG 3.39Å; E180-R184 PolarHBondContact O-N 3.09Å; E180-R184 IonicContact OE1-CZ 2.65Å; E180-R184 IonicContact OE1-NE 3.14Å; E180-R184 PolarHBondContact OE1-NE 2.91Å; E180-R184 IonicContact OE1-NH2 2.65Å; E180-R184 PolarHBondContact OE1-NH2 2.85Å; E180-R184 IonicContact OE2-NH2 2.62Å; E180-R184 PolarHBondContact OE2-NH2 3.06Å; E181-R184 PolarHBondContact O-N 2.94Å; E181-R184 VanDerWaalsContact O-N 3.14Å; R184-T188 PolarHBondContact O-N 3.22Å; R184-T188 PolarHBondContact O-OG1 3.01Å |
| 185 | A | 94.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 82.1 Ų | 82.1 | 3% | 0.025 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.6 | -52.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L165 E181 A182 K187 T188 L189 L202 L206 | L165-A185 HydrophobicContact CD1-CB 4.03Å; E181-A185 VanDerWaalsContact O-CB 3.28Å; E181-A185 WeakPolarHBondContact O-CB 3.3Å; E181-A185 PolarHBondContact O-N 3.38Å; A182-A185 WeakPolarHBondContact O-CB 3.4Å; A182-A185 PolarHBondContact O-N 3.27Å; A185-K187 VanDerWaalsContact C-N 3.3Å; A185-K187 PolarHBondContact O-N 2.95Å; A185-T188 CarbonylContact O-C 3.59Å; A185-T188 WeakPolarHBondContact O-CA 3.42Å; A185-T188 WeakPolarHBondContact O-CB 3.31Å; A185-T188 PolarHBondContact O-N 3.1Å; A185-L189 PolarHBondContact O-N 3.25Å; A185-L202 HydrophobicContact CB-CD1 4.49Å; A185-L202 HydrophobicContact CB-CD2 3.87Å; A185-L206 HydrophobicContact CB-CD1 3.28Å |
| 186 | L | 94.7 | Very high | 91.8 | Very high | 19 Ų | 19 | 83.1 Ų | 83.1 | 10% | 0.099 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -56.5 | -41.7 | 179.7 | -78.5 | 169.1 | 0 | 0 | 0 | 112.6 | I162 L165 Q166 M169 A182 T188 L189 R190 | I162-L186 HydrophobicContact CB-CD2 4.06Å; I162-L186 HydrophobicContact CG1-CD2 4.06Å; I162-L186 HydrophobicContact CG2-CD2 3.81Å; L165-L186 HydrophobicContact CB-CD1 4.32Å; L165-L186 HydrophobicContact CB-CD2 3.96Å; L165-L186 HydrophobicContact CB-CG 4.06Å; L165-L186 HydrophobicContact CD1-CD2 4.22Å; L165-L186 HydrophobicContact CD1-CG 4.23Å; Q166-L186 HydrophobicContact CG-CD1 3.94Å; Q166-L186 HydrophobicContact CG-CD2 4.19Å; M169-L186 HydrophobicContact SD-CD1 3.89Å; A182-L186 WeakPolarHBondContact O-CB 3.24Å; A182-L186 VanDerWaalsContact O-CG 3.24Å; A182-L186 WeakPolarHBondContact O-CG 3.43Å; A182-L186 PolarHBondContact O-N 3.42Å; L186-T188 VanDerWaalsContact C-N 3.28Å; L186-T188 PolarHBondContact O-N 2.98Å; L186-L189 PolarHBondContact O-N 3.31Å; L186-R190 WeakPolarHBondContact O-CB 3.35Å; L186-R190 WeakPolarHBondContact O-CG 3.41Å; L186-R190 PolarHBondContact O-N 2.91Å; L186-R190 VanDerWaalsContact O-N 3.09Å |
| 187 | K | 95.1 | Very high | 92.3 | Very high | 157 Ų | 157 | 82.2 Ų | 82.2 | 68% | 0.683 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59.4 | -38.6 | 173.2 | -69 | 171.3 | -177.7 | 179.5 | 0 | 112.1 | S183 A185 S191 | S183-K187 WeakPolarHBondContact O-CG 3.28Å; S183-K187 PolarHBondContact O-N 2.91Å; A185-K187 VanDerWaalsContact C-N 3.3Å; A185-K187 PolarHBondContact O-N 2.95Å; K187-S191 WeakPolarHBondContact O-CB 3.46Å; K187-S191 PolarHBondContact O-N 2.76Å |
| 188 | T | 94.8 | Very high | 92.7 | Very high | 37 Ų | 37 | 80 Ų | 80 | 23% | 0.227 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -75.3 | -39.5 | -179.5 | -54 | 0 | 0 | 0 | 0 | 112.5 | R184 A185 L186 A194 L202 | R184-T188 PolarHBondContact O-N 3.22Å; R184-T188 PolarHBondContact O-OG1 3.01Å; A185-T188 CarbonylContact O-C 3.59Å; A185-T188 WeakPolarHBondContact O-CA 3.42Å; A185-T188 WeakPolarHBondContact O-CB 3.31Å; A185-T188 PolarHBondContact O-N 3.1Å; L186-T188 VanDerWaalsContact C-N 3.28Å; L186-T188 PolarHBondContact O-N 2.98Å; T188-A194 HydrophobicContact CG2-CB 4.18Å; T188-A194 VanDerWaalsContact O-CB 3.3Å; T188-A194 WeakPolarHBondContact O-CB 3.41Å; T188-L202 HydrophobicContact CG2-CD1 4.18Å |
| 189 | L | 94.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 76.1 Ų | 76.1 | 2% | 0.016 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.2 | -42.1 | 179.2 | -64.9 | 178.1 | 0 | 0 | 0 | 112.1 | L158 C161 I162 L165 A185 L186 S191 K199 L202 M203 | L158-L189 HydrophobicContact CD2-CB 4.3Å; L158-L189 HydrophobicContact CD2-CD2 3.77Å; C161-L189 HydrophobicContact CB-CD1 4.41Å; I162-L189 HydrophobicContact CD1-CB 4.06Å; I162-L189 HydrophobicContact CG1-CB 3.94Å; I162-L189 HydrophobicContact CG1-CD1 4.08Å; L165-L189 HydrophobicContact CD1-CD1 3.86Å; A185-L189 PolarHBondContact O-N 3.25Å; L186-L189 PolarHBondContact O-N 3.31Å; L189-S191 VanDerWaalsContact C-N 3.34Å; L189-K199 HydrophobicContact CD2-CB 4.26Å; L189-K199 WeakPolarHBondContact O-CE 3.26Å; L189-K199 PolarHBondContact O-NZ 2.91Å; L189-L202 HydrophobicContact CD1-CD2 4.03Å; L189-L202 HydrophobicContact CD2-CD2 3.58Å; L189-L202 HydrophobicContact CG-CD2 3.69Å; L189-M203 HydrophobicContact CD1-CG 4.49Å; L189-M203 HydrophobicContact CD2-CG 3.72Å; L189-M203 HydrophobicContact CD2-SD 4.34Å |
| 190 | R | 93 | Very high | 93.2 | Very high | 144 Ų | 144 | 75.7 Ų | 75.7 | 54% | 0.543 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -72.9 | -22.3 | 178.2 | -68.8 | 178.9 | 178.9 | 179 | -0.6 | 113.9 | I162 L186 S192 | I162-R190 HydrophobicContact CD1-CG 3.75Å; I162-R190 HydrophobicContact CG1-CG 4.43Å; L186-R190 WeakPolarHBondContact O-CB 3.35Å; L186-R190 WeakPolarHBondContact O-CG 3.41Å; L186-R190 PolarHBondContact O-N 2.91Å; L186-R190 VanDerWaalsContact O-N 3.09Å; R190-S192 PolarHBondContact O-N 2.86Å |
| 191 | S | 93.6 | Very high | 93.3 | Very high | 44 Ų | 44 | 76.3 Ų | 76.3 | 31% | 0.308 | 38% | 0.38 | S | S | . | . | trans | -64.8 | 120.8 | 175.9 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | K187 L189 K193 A194 K199 | K187-S191 WeakPolarHBondContact O-CB 3.46Å; K187-S191 PolarHBondContact O-N 2.76Å; L189-S191 VanDerWaalsContact C-N 3.34Å; S191-K193 PolarHBondContact O-N 2.87Å; S191-K193 PolarHBondContact OG-N 2.86Å; S191-A194 PolarHBondContact O-N 3.33Å; S191-A194 PolarHBondContact OG-N 2.62Å; S191-K199 WeakPolarHBondContact O-CE 3.34Å; S191-K199 PolarHBondContact O-NZ 3.45Å | ||
| 192 | S | 87.9 | Confident | 93.4 | Very high | 120 Ų | 120 | 73.3 Ų | 73.3 | 84% | 0.839 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -31.6 | 168.8 | 52 | 0 | 0 | 0 | 0 | 111.8 | R190 A194 | R190-S192 PolarHBondContact O-N 2.86Å; S192-A194 VanDerWaalsContact C-N 3.26Å; S192-A194 PolarHBondContact O-N 3.44Å |
| 193 | K | 89.1 | Confident | 93.5 | Very high | 192 Ų | 192 | 73 Ų | 73 | 84% | 0.835 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -1.3 | -178.4 | -157 | 173.6 | 179.6 | 69.8 | 0 | 114.1 | S191 | S191-K193 PolarHBondContact O-N 2.87Å; S191-K193 PolarHBondContact OG-N 2.86Å |
| 194 | A | 89.5 | Confident | 93.6 | Very high | 16 Ų | 16 | 78.4 Ų | 78.4 | 13% | 0.132 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -87.8 | 123.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T188 S191 S192 K199 | T188-A194 HydrophobicContact CG2-CB 4.18Å; T188-A194 VanDerWaalsContact O-CB 3.3Å; T188-A194 WeakPolarHBondContact O-CB 3.41Å; S191-A194 PolarHBondContact O-N 3.33Å; S191-A194 PolarHBondContact OG-N 2.62Å; S192-A194 VanDerWaalsContact C-N 3.26Å; S192-A194 PolarHBondContact O-N 3.44Å; A194-K199 HydrophobicContact CB-CG 4.33Å; A194-K199 WeakPolarHBondContact O-CE 3.43Å |
| 195 | P | 92.5 | Very high | 93.6 | Very high | 87 Ų | 87 | 75.4 Ų | 75.4 | 57% | 0.565 | 39% | 0.387 | S | S | * | . | trans | -55.9 | 138.3 | -177.6 | -28.5 | 35.5 | 0 | 0 | 0 | 114.1 | V197 K198 K199 | P195-V197 VanDerWaalsContact C-N 3.28Å; P195-V197 PolarHBondContact O-N 3.13Å; P195-K198 WeakPolarHBondContact O-CA 3.43Å; P195-K198 WeakPolarHBondContact O-CB 3.25Å; P195-K198 PolarHBondContact O-N 2.82Å; P195-K199 PolarHBondContact O-N 2.84Å | ||
| 196 | L | 92.1 | Very high | 93.4 | Very high | 95 Ų | 95 | 77.9 Ų | 77.9 | 50% | 0.497 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -51.8 | -42.1 | -176.8 | -179 | 155.9 | 0 | 0 | 0 | 113.2 | L154 K198 K199 R200 | L154-L196 HydrophobicContact CD2-CD1 3.48Å; L154-L196 VanDerWaalsContact CD2-CD1 3.48Å; L154-L196 HydrophobicContact CD2-CG 3.65Å; L196-K198 PolarHBondContact O-N 3.25Å; L196-K199 PolarHBondContact O-N 3.47Å; L196-R200 HydrophobicContact CD2-CG 4.33Å; L196-R200 PolarHBondContact O-N 3.1Å |
| 197 | V | 94.4 | Very high | 93.2 | Very high | 95 Ų | 95 | 77.7 Ų | 77.7 | 58% | 0.576 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.3 | -44.5 | 176.3 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | P195 R200 Q201 | P195-V197 VanDerWaalsContact C-N 3.28Å; P195-V197 PolarHBondContact O-N 3.13Å; V197-R200 PolarHBondContact O-N 3.4Å; V197-Q201 HydrophobicContact CG1-CG 4.45Å; V197-Q201 WeakPolarHBondContact O-CB 3.42Å; V197-Q201 VanDerWaalsContact O-CG 3.31Å; V197-Q201 WeakPolarHBondContact O-CG 3.4Å; V197-Q201 PolarHBondContact O-N 2.92Å |
| 198 | K | 95.6 | Very high | 93.1 | Very high | 117 Ų | 117 | 71.9 Ų | 71.9 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.6 | -38 | 178.7 | -173.7 | 171.7 | -177.5 | 171.9 | 0 | 111.6 | P195 L196 L202 | P195-K198 WeakPolarHBondContact O-CA 3.43Å; P195-K198 WeakPolarHBondContact O-CB 3.25Å; P195-K198 PolarHBondContact O-N 2.82Å; L196-K198 PolarHBondContact O-N 3.25Å; K198-L202 VanDerWaalsContact O-CB 3.27Å; K198-L202 WeakPolarHBondContact O-CB 3.42Å; K198-L202 PolarHBondContact O-N 3.02Å |
| 199 | K | 95.1 | Very high | 93.1 | Very high | 23 Ų | 23 | 74.6 Ų | 74.6 | 10% | 0.1 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.3 | -53.7 | 171.6 | -65.3 | -164.9 | -177.5 | -164.9 | 0 | 110.9 | L158 L189 S191 A194 P195 L196 Q201 L202 M203 | L158-K199 HydrophobicContact CD1-CD 3.99Å; L158-K199 HydrophobicContact CD2-CB 4.18Å; L158-K199 HydrophobicContact CD2-CD 3.9Å; L189-K199 HydrophobicContact CD2-CB 4.26Å; L189-K199 WeakPolarHBondContact O-CE 3.26Å; L189-K199 PolarHBondContact O-NZ 2.91Å; S191-K199 WeakPolarHBondContact O-CE 3.34Å; S191-K199 PolarHBondContact O-NZ 3.45Å; A194-K199 HydrophobicContact CB-CG 4.33Å; A194-K199 WeakPolarHBondContact O-CE 3.43Å; P195-K199 PolarHBondContact O-N 2.84Å; L196-K199 PolarHBondContact O-N 3.47Å; K199-Q201 PolarHBondContact O-N 3.32Å; K199-L202 PolarHBondContact O-N 3.09Å; K199-M203 WeakPolarHBondContact O-CG 3.43Å; K199-M203 PolarHBondContact O-N 3.45Å |
| 200 | R | 95.3 | Very high | 93.1 | Very high | 48 Ų | 48 | 74.8 Ų | 74.8 | 18% | 0.181 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.4 | -40 | 179.9 | -70.3 | -172.1 | 178.3 | -72.4 | 2.5 | 113 | L154 E157 L196 V197 R204 | L154-R200 HydrophobicContact CD1-CG 4.27Å; E157-R200 IonicContact OE1-NH1 3.77Å; E157-R200 IonicContact OE2-CZ 3.54Å; E157-R200 IonicContact OE2-NH1 2.66Å; E157-R200 PolarHBondContact OE2-NH1 2.69Å; E157-R200 IonicContact OE2-NH2 3.59Å; L196-R200 HydrophobicContact CD2-CG 4.33Å; L196-R200 PolarHBondContact O-N 3.1Å; V197-R200 PolarHBondContact O-N 3.4Å; R200-R204 WeakPolarHBondContact O-CG 3.42Å; R200-R204 PolarHBondContact O-N 3.07Å |
| 201 | Q | 95.3 | Very high | 93.1 | Very high | 111 Ų | 111 | 73.9 Ų | 73.9 | 52% | 0.519 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60 | -49.7 | 173.9 | -77.3 | 170.8 | -17.7 | 0 | 0 | 111.6 | V197 K199 M203 R204 A205 | V197-Q201 HydrophobicContact CG1-CG 4.45Å; V197-Q201 WeakPolarHBondContact O-CB 3.42Å; V197-Q201 VanDerWaalsContact O-CG 3.31Å; V197-Q201 WeakPolarHBondContact O-CG 3.4Å; V197-Q201 PolarHBondContact O-N 2.92Å; K199-Q201 PolarHBondContact O-N 3.32Å; Q201-M203 PolarHBondContact O-N 3.22Å; Q201-R204 PolarHBondContact O-N 3.46Å; Q201-A205 PolarHBondContact O-N 3.31Å |
| 202 | L | 95.2 | Very high | 93.2 | Very high | 36 Ų | 36 | 77.3 Ų | 77.3 | 19% | 0.188 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67.4 | -35.9 | -176.7 | -177.3 | 145.9 | 0 | 0 | 0 | 112.4 | A185 T188 L189 K198 K199 A205 L206 | A185-L202 HydrophobicContact CB-CD1 4.49Å; A185-L202 HydrophobicContact CB-CD2 3.87Å; T188-L202 HydrophobicContact CG2-CD1 4.18Å; L189-L202 HydrophobicContact CD1-CD2 4.03Å; L189-L202 HydrophobicContact CD2-CD2 3.58Å; L189-L202 HydrophobicContact CG-CD2 3.69Å; K198-L202 VanDerWaalsContact O-CB 3.27Å; K198-L202 WeakPolarHBondContact O-CB 3.42Å; K198-L202 PolarHBondContact O-N 3.02Å; K199-L202 PolarHBondContact O-N 3.09Å; L202-A205 PolarHBondContact O-N 3.27Å; L202-L206 HydrophobicContact CD2-CD1 3.61Å; L202-L206 HydrophobicContact CG-CD1 3.92Å; L202-L206 WeakPolarHBondContact O-CG 3.4Å; L202-L206 PolarHBondContact O-N 3.06Å; L202-L206 VanDerWaalsContact O-N 3.15Å |
| 203 | M | 94.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 171.4 | -64.5 | 156.8 | 76.3 | 0 | 0 | 112.1 | E157 L158 C161 L189 K199 Q201 T207 Y210 | E157-M203 VanDerWaalsContact C-CE 3.46Å; E157-M203 HydrophobicContact CB-CE 3.62Å; E157-M203 WeakPolarHBondContact O-CE 3.25Å; L158-M203 HydrophobicContact CD2-CE 4.14Å; L158-M203 HydrophobicContact CD2-CG 4.43Å; L158-M203 HydrophobicContact CD2-SD 3.53Å; L158-M203 VanDerWaalsContact CD2-SD 3.53Å; L158-M203 HydrophobicContact CG-CE 4.27Å; L158-M203 HydrophobicContact CG-SD 4.18Å; C161-M203 HydrophobicContact CB-CE 4.33Å; C161-M203 HydrophobicContact CB-CG 4.19Å; L189-M203 HydrophobicContact CD1-CG 4.49Å; L189-M203 HydrophobicContact CD2-CG 3.72Å; L189-M203 HydrophobicContact CD2-SD 4.34Å; K199-M203 WeakPolarHBondContact O-CG 3.43Å; K199-M203 PolarHBondContact O-N 3.45Å; Q201-M203 PolarHBondContact O-N 3.22Å; M203-T207 WeakPolarHBondContact O-CB 3.3Å; M203-T207 PolarHBondContact O-N 2.91Å; M203-T207 PolarHBondContact O-OG1 3.37Å; M203-Y210 HydrophobicContact CB-CD1 3.78Å; M203-Y210 HydrophobicContact CB-CE1 3.53Å; M203-Y210 HydrophobicContact CE-CD1 4.46Å; M203-Y210 HydrophobicContact CE-CD2 4.39Å; M203-Y210 HydrophobicContact CE-CE1 4.08Å; M203-Y210 HydrophobicContact CE-CE2 4.03Å |
| 204 | R | 94.9 | Very high | 93.8 | Very high | 149 Ų | 149 | 68.6 Ų | 68.6 | 56% | 0.562 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -67.3 | -41 | 175.7 | -68 | 178.9 | -161 | 149.2 | 1 | 112.4 | R200 Q201 L206 G208 Y210 | R200-R204 WeakPolarHBondContact O-CG 3.42Å; R200-R204 PolarHBondContact O-N 3.07Å; Q201-R204 PolarHBondContact O-N 3.46Å; R204-L206 VanDerWaalsContact C-N 3.34Å; R204-L206 PolarHBondContact O-N 3.42Å; R204-G208 WeakPolarHBondContact O-CA 3.48Å; R204-G208 PolarHBondContact O-N 3.45Å; R204-Y210 HydrophobicContact CG-CE1 4.04Å |
| 205 | A | 93.8 | Very high | 94.1 | Very high | 86 Ų | 86 | 74.2 Ų | 74.2 | 71% | 0.711 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.3 | -37.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q201 L202 | Q201-A205 PolarHBondContact O-N 3.31Å; L202-A205 PolarHBondContact O-N 3.27Å |
| 206 | L | 90.9 | Very high | 94.3 | Very high | 56 Ų | 56 | 73.8 Ų | 73.8 | 29% | 0.293 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -92.4 | -42.2 | -176.8 | -62.6 | 166.9 | 0 | 0 | 0 | 113.1 | L165 E181 A185 L202 R204 | L165-L206 HydrophobicContact CD1-CD1 4.21Å; L165-L206 HydrophobicContact CD2-CB 4.33Å; L165-L206 HydrophobicContact CD2-CD1 4.24Å; E181-L206 HydrophobicContact CG-CD2 4.12Å; A185-L206 HydrophobicContact CB-CD1 3.28Å; L202-L206 HydrophobicContact CD2-CD1 3.61Å; L202-L206 HydrophobicContact CG-CD1 3.92Å; L202-L206 WeakPolarHBondContact O-CG 3.4Å; L202-L206 PolarHBondContact O-N 3.06Å; L202-L206 VanDerWaalsContact O-N 3.15Å; R204-L206 VanDerWaalsContact C-N 3.34Å; R204-L206 PolarHBondContact O-N 3.42Å |
| 207 | T | 89.5 | Confident | 94.4 | Very high | 15 Ų | 15 | 72 Ų | 72 | 9% | 0.092 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -105.5 | -11.2 | -170.4 | -38.6 | 0 | 0 | 0 | 0 | 112.8 | W160 M203 K213 | W160-T207 HydrophobicContact CH2-CG2 4.01Å; W160-T207 HydrophobicContact CZ3-CG2 3.61Å; M203-T207 WeakPolarHBondContact O-CB 3.3Å; M203-T207 PolarHBondContact O-N 2.91Å; M203-T207 PolarHBondContact O-OG1 3.37Å; T207-K213 HydrophobicContact CG2-CD 4.41Å; T207-K213 PolarHBondContact O-NZ 3.39Å |
| 208 | G | 93.3 | Very high | 94.4 | Very high | 34 Ų | 34 | 73 Ų | 73 | 35% | 0.351 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 72.5 | -139.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R204 Y210 | R204-G208 WeakPolarHBondContact O-CA 3.48Å; R204-G208 PolarHBondContact O-N 3.45Å; G208-Y210 PolarHBondContact O-N 3.15Å |
| 209 | D | 94.3 | Very high | 94.4 | Very high | 95 Ų | 95 | 71.2 Ų | 71.2 | 51% | 0.508 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -72.9 | 96.3 | 167.6 | -169.9 | -16.5 | 0 | 0 | 0 | 110.2 | R211 K212 K213 | D209-R211 VanDerWaalsContact C-N 3.33Å; D209-R211 WeakPolarHBondContact OD1-CB 3.35Å; D209-R211 PolarHBondContact OD1-N 2.82Å; D209-K212 HydrophobicContact CB-CB 4.45Å; D209-K212 PolarHBondContact OD1-N 3.28Å; D209-K212 VanDerWaalsContact OD1-N 3.16Å; D209-K213 WeakPolarHBondContact O-CG 3.49Å |
| 210 | Y | 94.5 | Very high | 94.4 | Very high | 6 Ų | 6 | 75.2 Ų | 75.2 | 2% | 0.024 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -74.8 | -19.4 | 176.2 | 51.5 | -100.9 | 0 | 0 | 0 | 113.5 | E157 M203 R204 G208 M214 | E157-Y210 HydrophobicContact CB-CD2 4.22Å; E157-Y210 HydrophobicContact CB-CE2 3.9Å; E157-Y210 HydrophobicContact CG-CD2 4.18Å; E157-Y210 HydrophobicContact CG-CE2 3.75Å; M203-Y210 HydrophobicContact CB-CD1 3.78Å; M203-Y210 HydrophobicContact CB-CE1 3.53Å; M203-Y210 HydrophobicContact CE-CD1 4.46Å; M203-Y210 HydrophobicContact CE-CD2 4.39Å; M203-Y210 HydrophobicContact CE-CE1 4.08Å; M203-Y210 HydrophobicContact CE-CE2 4.03Å; R204-Y210 HydrophobicContact CG-CE1 4.04Å; G208-Y210 PolarHBondContact O-N 3.15Å; Y210-M214 WeakPolarHBondContact O-CG 3.47Å; Y210-M214 PolarHBondContact O-N 3.43Å |
| 211 | R | 94.1 | Very high | 94.4 | Very high | 126 Ų | 126 | 77.6 Ų | 77.6 | 48% | 0.475 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -74.3 | -50.3 | -178 | -65.4 | -179.4 | 174 | 152.2 | -4.4 | 110.3 | E157 D209 K213 M214 E215 | E157-R211 IonicContact OE1-CZ 3.17Å; E157-R211 IonicContact OE1-NE 2.72Å; E157-R211 PolarHBondContact OE1-NE 3.39Å; E157-R211 IonicContact OE1-NH2 2.75Å; E157-R211 PolarHBondContact OE1-NH2 3.48Å; E157-R211 IonicContact OE2-NH2 3.86Å; D209-R211 VanDerWaalsContact C-N 3.33Å; D209-R211 WeakPolarHBondContact OD1-CB 3.35Å; D209-R211 PolarHBondContact OD1-N 2.82Å; R211-K213 PolarHBondContact O-N 3.21Å; R211-M214 PolarHBondContact O-N 2.96Å; R211-M214 VanDerWaalsContact O-N 3.1Å; R211-E215 PolarHBondContact O-N 3.46Å; R211-E215 VanDerWaalsContact O-N 3.08Å |
| 212 | K | 95.6 | Very high | 94.5 | Very high | 116 Ų | 116 | 76.5 Ų | 76.5 | 50% | 0.504 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -55.3 | -38.9 | 173.2 | -170.1 | 172.1 | -174.3 | -73 | 0 | 111.5 | D209 E215 E216 | D209-K212 HydrophobicContact CB-CB 4.45Å; D209-K212 PolarHBondContact OD1-N 3.28Å; D209-K212 VanDerWaalsContact OD1-N 3.16Å; K212-E215 PolarHBondContact O-N 3.05Å; K212-E216 IonicContact NZ-OE1 3.15Å; K212-E216 PolarHBondContact NZ-OE1 3.08Å; K212-E216 WeakPolarHBondContact O-CB 3.44Å; K212-E216 VanDerWaalsContact O-CG 3.26Å; K212-E216 WeakPolarHBondContact O-CG 3.46Å; K212-E216 PolarHBondContact O-N 3.21Å |
| 213 | K | 94.6 | Very high | 94.5 | Very high | 88 Ų | 88 | 79.8 Ų | 79.8 | 38% | 0.383 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -71.4 | -34.5 | 177 | -69.5 | 177.2 | 177.4 | 178.5 | 0 | 114.4 | W160 T207 D209 R211 E215 E217 | W160-K213 HydrophobicContact CH2-CB 3.27Å; W160-K213 HydrophobicContact CH2-CD 3.97Å; W160-K213 HydrophobicContact CH2-CG 4.27Å; W160-K213 HydrophobicContact CZ2-CB 3.69Å; W160-K213 HydrophobicContact CZ3-CB 4.18Å; T207-K213 HydrophobicContact CG2-CD 4.41Å; T207-K213 PolarHBondContact O-NZ 3.39Å; D209-K213 WeakPolarHBondContact O-CG 3.49Å; R211-K213 PolarHBondContact O-N 3.21Å; K213-E215 VanDerWaalsContact C-N 3.33Å; K213-E217 WeakPolarHBondContact O-CB 3.38Å; K213-E217 PolarHBondContact O-N 3.49Å |
| 214 | M | 95 | Very high | 94.6 | Very high | 41 Ų | 41 | 83.7 Ų | 83.7 | 20% | 0.202 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 170.6 | -79.2 | -163.1 | -59.9 | 0 | 0 | 111.5 | E157 W160 Y210 R211 E217 K218 | E157-M214 HydrophobicContact CB-CE 4.39Å; E157-M214 HydrophobicContact CG-CE 3.75Å; W160-M214 HydrophobicContact CB-CG 4.04Å; W160-M214 HydrophobicContact CB-SD 3.73Å; W160-M214 HydrophobicContact CD2-CG 3.4Å; W160-M214 HydrophobicContact CD2-SD 4.27Å; W160-M214 HydrophobicContact CE3-CG 3.87Å; W160-M214 HydrophobicContact CG-CG 3.45Å; W160-M214 VanDerWaalsContact CG-CG 3.45Å; W160-M214 HydrophobicContact CG-SD 3.85Å; W160-M214 HydrophobicContact CZ2-CG 4.49Å; Y210-M214 WeakPolarHBondContact O-CG 3.47Å; Y210-M214 PolarHBondContact O-N 3.43Å; R211-M214 PolarHBondContact O-N 2.96Å; R211-M214 VanDerWaalsContact O-N 3.1Å; M214-E217 PolarHBondContact O-N 3.39Å; M214-K218 WeakPolarHBondContact O-CB 3.41Å; M214-K218 PolarHBondContact O-N 3.14Å |
| 215 | E | 95.2 | Very high | 94.6 | Very high | 133 Ų | 133 | 81 Ų | 81 | 62% | 0.621 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -70 | -43.3 | 177.1 | -176.1 | 171.3 | -130.6 | 0 | 0 | 112.4 | R211 K212 K213 E217 K218 N219 | R211-E215 PolarHBondContact O-N 3.46Å; R211-E215 VanDerWaalsContact O-N 3.08Å; K212-E215 PolarHBondContact O-N 3.05Å; K213-E215 VanDerWaalsContact C-N 3.33Å; E215-E217 VanDerWaalsContact C-N 3.25Å; E215-E217 PolarHBondContact O-N 3.15Å; E215-K218 PolarHBondContact O-N 3.29Å; E215-N219 VanDerWaalsContact O-CB 3.25Å; E215-N219 WeakPolarHBondContact O-CB 3.19Å; E215-N219 PolarHBondContact O-N 3.16Å |
| 216 | E | 95.9 | Very high | 94.6 | Very high | 78 Ų | 78 | 81.8 Ų | 81.8 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -56.1 | -40.1 | 172 | -77.4 | 168.7 | -174.7 | 0 | 0 | 111.9 | K212 K220 | K212-E216 IonicContact NZ-OE1 3.15Å; K212-E216 PolarHBondContact NZ-OE1 3.08Å; K212-E216 WeakPolarHBondContact O-CB 3.44Å; K212-E216 VanDerWaalsContact O-CG 3.26Å; K212-E216 WeakPolarHBondContact O-CG 3.46Å; K212-E216 PolarHBondContact O-N 3.21Å; E216-K220 WeakPolarHBondContact O-CE 3.3Å; E216-K220 PolarHBondContact O-N 2.92Å |
| 217 | E | 94.8 | Very high | 94.7 | Very high | 59 Ų | 59 | 82.2 Ų | 82.2 | 28% | 0.276 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -72.3 | -46.7 | 176.8 | -163 | 56.4 | -134.3 | 0 | 0 | 112 | K213 M214 E215 N219 K220 Q221 | K213-E217 WeakPolarHBondContact O-CB 3.38Å; K213-E217 PolarHBondContact O-N 3.49Å; M214-E217 PolarHBondContact O-N 3.39Å; E215-E217 VanDerWaalsContact C-N 3.25Å; E215-E217 PolarHBondContact O-N 3.15Å; E217-N219 PolarHBondContact O-N 2.88Å; E217-K220 PolarHBondContact O-N 3.14Å; E217-K220 VanDerWaalsContact O-N 3.12Å; E217-K220 WeakPolarHBondContact OE2-CE 3.05Å; E217-K220 IonicContact OE2-NZ 3.48Å; E217-K220 PolarHBondContact OE2-NZ 3.28Å; E217-Q221 WeakPolarHBondContact O-CG 3.38Å; E217-Q221 PolarHBondContact O-N 3.5Å; E217-Q221 PolarHBondContact OE1-NE2 3.46Å |
| 218 | K | 93.9 | Very high | 94.9 | Very high | 114 Ų | 114 | 86.9 Ų | 86.9 | 50% | 0.496 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -50.2 | -45.2 | 171.4 | 177.5 | -173.7 | 176.7 | -174.4 | 0 | 110.9 | E145 M214 E215 F222 | E145-K218 IonicContact OE1-NZ 2.85Å; E145-K218 PolarHBondContact OE1-NZ 3.47Å; E145-K218 VanDerWaalsContact OE1-NZ 3.15Å; M214-K218 WeakPolarHBondContact O-CB 3.41Å; M214-K218 PolarHBondContact O-N 3.14Å; E215-K218 PolarHBondContact O-N 3.29Å; K218-F222 VanDerWaalsContact O-CB 3.29Å; K218-F222 WeakPolarHBondContact O-CB 3.34Å; K218-F222 PolarHBondContact O-N 2.8Å |
| 219 | N | 96.1 | Very high | 94.9 | Very high | 81 Ų | 81 | 89.2 Ų | 89.2 | 43% | 0.433 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.4 | -41 | -179.6 | -168.5 | 12.4 | 0 | 0 | 0 | 112.5 | E215 E217 F222 Q223 | E215-N219 VanDerWaalsContact O-CB 3.25Å; E215-N219 WeakPolarHBondContact O-CB 3.19Å; E215-N219 PolarHBondContact O-N 3.16Å; E217-N219 PolarHBondContact O-N 2.88Å; N219-F222 PolarHBondContact O-N 2.84Å; N219-Q223 VanDerWaalsContact CG-NE2 3.27Å; N219-Q223 PolarHBondContact ND2-NE2 2.95Å; N219-Q223 WeakPolarHBondContact O-CB 3.21Å; N219-Q223 VanDerWaalsContact O-CG 3.3Å; N219-Q223 WeakPolarHBondContact O-CG 3.26Å; N219-Q223 PolarHBondContact O-N 3.19Å; N219-Q223 PolarHBondContact OD1-NE2 3.3Å |
| 220 | K | 96.1 | Very high | 94.7 | Very high | 107 Ų | 107 | 87.4 Ų | 87.4 | 47% | 0.465 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 172.8 | -85.9 | 174.7 | -92.2 | 161.1 | 0 | 112.3 | E216 E217 F222 Q223 L224 | E216-K220 WeakPolarHBondContact O-CE 3.3Å; E216-K220 PolarHBondContact O-N 2.92Å; E217-K220 PolarHBondContact O-N 3.14Å; E217-K220 VanDerWaalsContact O-N 3.12Å; E217-K220 WeakPolarHBondContact OE2-CE 3.05Å; E217-K220 IonicContact OE2-NZ 3.48Å; E217-K220 PolarHBondContact OE2-NZ 3.28Å; K220-F222 VanDerWaalsContact C-N 3.34Å; K220-F222 PolarHBondContact O-N 3.1Å; K220-Q223 PolarHBondContact O-N 3.38Å; K220-L224 WeakPolarHBondContact O-CB 3.32Å; K220-L224 PolarHBondContact O-N 3.04Å |
| 221 | Q | 95.3 | Very high | 94.2 | Very high | 98 Ų | 98 | 92.4 Ų | 92.4 | 46% | 0.458 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 178.6 | -60.8 | -60.6 | -35.5 | 0 | 0 | 111.1 | E217 L224 I225 | E217-Q221 WeakPolarHBondContact O-CG 3.38Å; E217-Q221 PolarHBondContact O-N 3.5Å; E217-Q221 PolarHBondContact OE1-NE2 3.46Å; Q221-L224 PolarHBondContact O-N 3.05Å; Q221-I225 VanDerWaalsContact O-CG1 3.31Å; Q221-I225 WeakPolarHBondContact O-CG1 3.27Å; Q221-I225 PolarHBondContact O-N 3.34Å |
| 222 | F | 96 | Very high | 93.7 | Very high | 87 Ų | 87 | 89.8 Ų | 89.8 | 38% | 0.382 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 175.7 | -176 | -110.1 | 0 | 0 | 0 | 112.8 | K218 N219 K220 L224 I225 Q226 | K218-F222 VanDerWaalsContact O-CB 3.29Å; K218-F222 WeakPolarHBondContact O-CB 3.34Å; K218-F222 PolarHBondContact O-N 2.8Å; N219-F222 PolarHBondContact O-N 2.84Å; K220-F222 VanDerWaalsContact C-N 3.34Å; K220-F222 PolarHBondContact O-N 3.1Å; F222-L224 PolarHBondContact O-N 3.29Å; F222-I225 PolarHBondContact O-N 2.87Å; F222-Q226 HydrophobicContact CD1-CG 4.43Å; F222-Q226 VanDerWaalsContact CE1-CD 3.42Å; F222-Q226 HydrophobicContact CE1-CG 4.15Å; F222-Q226 VanDerWaalsContact CE1-NE2 3.3Å; F222-Q226 HydrophobicContact CE2-CG 4.48Å; F222-Q226 HydrophobicContact CZ-CG 4.18Å; F222-Q226 WeakPolarHBondContact O-CB 3.48Å; F222-Q226 WeakPolarHBondContact O-CG 3.27Å; F222-Q226 PolarHBondContact O-N 3.34Å |
| 223 | Q | 96.3 | Very high | 92.8 | Very high | 105 Ų | 105 | 90.9 Ų | 90.9 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 175.1 | -75.2 | 172.7 | 40.7 | 0 | 0 | 112.5 | N219 K220 Q226 S227 | N219-Q223 VanDerWaalsContact CG-NE2 3.27Å; N219-Q223 PolarHBondContact ND2-NE2 2.95Å; N219-Q223 WeakPolarHBondContact O-CB 3.21Å; N219-Q223 VanDerWaalsContact O-CG 3.3Å; N219-Q223 WeakPolarHBondContact O-CG 3.26Å; N219-Q223 PolarHBondContact O-N 3.19Å; N219-Q223 PolarHBondContact OD1-NE2 3.3Å; K220-Q223 PolarHBondContact O-N 3.38Å; Q223-Q226 PolarHBondContact O-N 3.46Å; Q223-S227 WeakPolarHBondContact O-CB 3.4Å; Q223-S227 PolarHBondContact O-N 2.93Å; Q223-S227 PolarHBondContact O-OG 2.9Å |
| 224 | L | 96.2 | Very high | 91.8 | Very high | 83 Ų | 83 | 93.2 Ų | 93.2 | 44% | 0.435 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -52.4 | 175.4 | -175.4 | 64.4 | 0 | 0 | 0 | 110.3 | K220 Q221 F222 Q226 S227 E228 | K220-L224 WeakPolarHBondContact O-CB 3.32Å; K220-L224 PolarHBondContact O-N 3.04Å; Q221-L224 PolarHBondContact O-N 3.05Å; F222-L224 PolarHBondContact O-N 3.29Å; L224-Q226 VanDerWaalsContact C-N 3.31Å; L224-Q226 PolarHBondContact O-N 2.66Å; L224-S227 PolarHBondContact O-N 2.92Å; L224-S227 PolarHBondContact O-OG 3.44Å; L224-E228 WeakPolarHBondContact O-CG 3.46Å; L224-E228 PolarHBondContact O-N 3.33Å |
| 225 | I | 95.4 | Very high | 91 | Very high | 94 Ų | 94 | 99.8 Ų | 99.8 | 48% | 0.482 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 176.5 | -66 | 163.9 | 0 | 0 | 0 | 111.3 | Q221 F222 S227 E228 T229 | Q221-I225 VanDerWaalsContact O-CG1 3.31Å; Q221-I225 WeakPolarHBondContact O-CG1 3.27Å; Q221-I225 PolarHBondContact O-N 3.34Å; F222-I225 PolarHBondContact O-N 2.87Å; I225-S227 VanDerWaalsContact C-N 3.35Å; I225-S227 PolarHBondContact O-N 2.82Å; I225-E228 PolarHBondContact O-N 2.66Å; I225-T229 HydrophobicContact CG2-CG2 4.23Å; I225-T229 WeakPolarHBondContact O-CB 3.47Å; I225-T229 VanDerWaalsContact O-CG2 3.32Å; I225-T229 WeakPolarHBondContact O-CG2 3.41Å; I225-T229 PolarHBondContact O-N 3.16Å; I225-T229 PolarHBondContact O-OG1 3.26Å |
| 226 | Q | 94.1 | Very high | 90.2 | Very high | 101 Ų | 101 | 100.3 Ų | 100.3 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 174.3 | -78 | -170.1 | -36.8 | 0 | 0 | 112.4 | F222 Q223 L224 T229 A230 | F222-Q226 HydrophobicContact CD1-CG 4.43Å; F222-Q226 VanDerWaalsContact CE1-CD 3.42Å; F222-Q226 HydrophobicContact CE1-CG 4.15Å; F222-Q226 VanDerWaalsContact CE1-NE2 3.3Å; F222-Q226 HydrophobicContact CE2-CG 4.48Å; F222-Q226 HydrophobicContact CZ-CG 4.18Å; F222-Q226 WeakPolarHBondContact O-CB 3.48Å; F222-Q226 WeakPolarHBondContact O-CG 3.27Å; F222-Q226 PolarHBondContact O-N 3.34Å; Q223-Q226 PolarHBondContact O-N 3.46Å; L224-Q226 VanDerWaalsContact C-N 3.31Å; L224-Q226 PolarHBondContact O-N 2.66Å; Q226-T229 WeakPolarHBondContact CA-OG1 3.26Å; Q226-T229 PolarHBondContact O-OG1 3.07Å; Q226-A230 WeakPolarHBondContact O-CB 3.43Å; Q226-A230 PolarHBondContact O-N 2.97Å |
| 227 | S | 93.1 | Very high | 89.4 | Confident | 66 Ų | 66 | 101.2 Ų | 101.2 | 46% | 0.462 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.4 | -40 | 178.1 | 74.1 | 0 | 0 | 0 | 0 | 112.7 | Q223 L224 I225 S231 | Q223-S227 WeakPolarHBondContact O-CB 3.4Å; Q223-S227 PolarHBondContact O-N 2.93Å; Q223-S227 PolarHBondContact O-OG 2.9Å; L224-S227 PolarHBondContact O-N 2.92Å; L224-S227 PolarHBondContact O-OG 3.44Å; I225-S227 VanDerWaalsContact C-N 3.35Å; I225-S227 PolarHBondContact O-N 2.82Å; S227-S231 WeakPolarHBondContact O-CB 3.46Å; S227-S231 PolarHBondContact O-N 2.75Å |
| 228 | E | 94.3 | Very high | 88.6 | Confident | 112 Ų | 112 | 102.9 Ų | 102.9 | 52% | 0.523 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.8 | -47.7 | 177.1 | -71 | 176 | 177.6 | 0 | 0 | 111.1 | L224 I225 A230 S231 A232 | L224-E228 WeakPolarHBondContact O-CG 3.46Å; L224-E228 PolarHBondContact O-N 3.33Å; I225-E228 PolarHBondContact O-N 2.66Å; E228-A230 VanDerWaalsContact C-N 3.33Å; E228-A230 PolarHBondContact O-N 2.75Å; E228-S231 PolarHBondContact O-N 2.72Å; E228-A232 VanDerWaalsContact O-CB 3.29Å; E228-A232 WeakPolarHBondContact O-CB 3.37Å; E228-A232 PolarHBondContact O-N 3.28Å |
| 229 | T | 92.2 | Very high | 87.6 | Confident | 83 Ų | 83 | 105.5 Ų | 105.5 | 51% | 0.509 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.2 | -31.9 | 177 | 53.4 | 0 | 0 | 0 | 0 | 113 | I225 Q226 Q233 | I225-T229 HydrophobicContact CG2-CG2 4.23Å; I225-T229 WeakPolarHBondContact O-CB 3.47Å; I225-T229 VanDerWaalsContact O-CG2 3.32Å; I225-T229 WeakPolarHBondContact O-CG2 3.41Å; I225-T229 PolarHBondContact O-N 3.16Å; I225-T229 PolarHBondContact O-OG1 3.26Å; Q226-T229 WeakPolarHBondContact CA-OG1 3.26Å; Q226-T229 PolarHBondContact O-OG1 3.07Å; T229-Q233 VanDerWaalsContact O-CG 3.31Å; T229-Q233 WeakPolarHBondContact O-CG 3.47Å |
| 230 | A | 89.2 | Confident | 86.4 | Confident | 57 Ų | 57 | 104.3 Ų | 104.3 | 47% | 0.471 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.5 | -38.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q226 E228 Q233 | Q226-A230 WeakPolarHBondContact O-CB 3.43Å; Q226-A230 PolarHBondContact O-N 2.97Å; E228-A230 VanDerWaalsContact C-N 3.33Å; E228-A230 PolarHBondContact O-N 2.75Å; A230-Q233 WeakPolarHBondContact O-CG 3.48Å |
| 231 | S | 85.7 | Confident | 85 | Confident | 111 Ų | 111 | 105.6 Ų | 105.6 | 78% | 0.776 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.9 | -33.1 | 176.5 | -166.5 | 0 | 0 | 0 | 0 | 112.5 | S227 E228 Q233 | S227-S231 WeakPolarHBondContact O-CB 3.46Å; S227-S231 PolarHBondContact O-N 2.75Å; E228-S231 PolarHBondContact O-N 2.72Å; S231-Q233 VanDerWaalsContact C-N 3.32Å; S231-Q233 PolarHBondContact O-N 3.13Å |
| 232 | A | 82.5 | Confident | 84 | Confident | 71 Ų | 71 | 108.1 Ų | 108.1 | 59% | 0.587 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 9.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E228 V234 | E228-A232 VanDerWaalsContact O-CB 3.29Å; E228-A232 WeakPolarHBondContact O-CB 3.37Å; E228-A232 PolarHBondContact O-N 3.28Å; A232-V234 PolarHBondContact O-N 3.46Å |
| 233 | Q | 76.5 | Confident | 83.1 | Confident | 139 Ų | 139 | 113.3 Ų | 113.3 | 65% | 0.65 | 63% | 0.632 | S | S | * | * | trans | -67 | 98.2 | -176.5 | -70.4 | -171.2 | 4.3 | 0 | 0 | 112.8 | T229 A230 S231 K235 | T229-Q233 VanDerWaalsContact O-CG 3.31Å; T229-Q233 WeakPolarHBondContact O-CG 3.47Å; A230-Q233 WeakPolarHBondContact O-CG 3.48Å; S231-Q233 VanDerWaalsContact C-N 3.32Å; S231-Q233 PolarHBondContact O-N 3.13Å; Q233-K235 PolarHBondContact O-N 3.31Å | ||
| 234 | V | 73.6 | Confident | 82.2 | Confident | 137 Ų | 137 | 113.2 Ų | 113.2 | 83% | 0.83 | 64% | 0.642 | S | S | * | * | trans | -65.8 | 103 | 172.1 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | A232 V236 | A232-V234 PolarHBondContact O-N 3.46Å; V234-V236 PolarHBondContact O-N 3.47Å | ||
| 235 | K | 78.8 | Confident | 81.4 | Confident | 179 Ų | 179 | 114.3 Ų | 114.3 | 78% | 0.778 | 65% | 0.652 | S | S | * | * | trans | -70.7 | 125.3 | 168.1 | -69.2 | -178.8 | 179.7 | 176.3 | 0 | 109.1 | Q233 V237 | Q233-K235 PolarHBondContact O-N 3.31Å; K235-V237 PolarHBondContact O-N 2.92Å | ||
| 236 | V | 78.6 | Confident | 80.8 | Confident | 145 Ų | 145 | 118.9 Ų | 118.9 | 88% | 0.879 | 67% | 0.669 | S | S | * | * | trans | -58.8 | 110.2 | 170.7 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | V234 | V234-V236 PolarHBondContact O-N 3.47Š| ||
| 237 | V | 79.3 | Confident | 80.2 | Confident | 97 Ų | 97 | 122 Ų | 122 | 59% | 0.588 | 68% | 0.683 | S | S | * | * | trans | -74.4 | 125.1 | 173.1 | 177.5 | 0 | 0 | 0 | 0 | 107.2 | K235 D239 | K235-V237 PolarHBondContact O-N 2.92Å; V237-D239 PolarHBondContact O-N 2.98Å | ||
| 238 | S | 77.9 | Confident | 79.7 | Confident | 94 Ų | 94 | 130.5 Ų | 130.5 | 66% | 0.657 | 71% | 0.705 | S | S | * | * | trans | -66.6 | 133.2 | 173.3 | 47.9 | 0 | 0 | 0 | 0 | 110.7 | S240 | S238-S240 PolarHBondContact O-N 2.94Å; S238-S240 PolarHBondContact O-OG 3.19Å; S238-S240 VanDerWaalsContact O-OG 3.09Å | ||
| 239 | D | 72.8 | Confident | 78.9 | Confident | 169 Ų | 169 | 135.5 Ų | 135.5 | 90% | 0.904 | 72% | 0.719 | S | S | * | * | trans | -69.1 | 69.6 | 179.3 | -75.4 | -51 | 0 | 0 | 0 | 112.3 | V237 | V237-D239 PolarHBondContact O-N 2.98Š| ||
| 240 | S | 71.4 | Confident | 77.9 | Confident | 56 Ų | 56 | 136 Ų | 136 | 39% | 0.392 | 73% | 0.732 | S | S | . | * | trans | -72.1 | 128.1 | 161.7 | 35.7 | 0 | 0 | 0 | 0 | 108.1 | S238 K242 | S238-S240 PolarHBondContact O-N 2.94Å; S238-S240 PolarHBondContact O-OG 3.19Å; S238-S240 VanDerWaalsContact O-OG 3.09Å; S240-K242 VanDerWaalsContact C-N 3.29Å; S240-K242 PolarHBondContact O-N 2.82Å; S240-K242 VanDerWaalsContact OG-CE 3.28Å; S240-K242 WeakPolarHBondContact OG-CE 3.49Å; S240-K242 PolarHBondContact OG-NZ 2.91Å | ||
| 241 | P | 66.4 | Low | 76.9 | Confident | 134 Ų | 134 | 140.1 Ų | 140.1 | 87% | 0.87 | 74% | 0.741 | S | S | * | * | trans | -70.6 | 81.8 | -173.4 | 27.4 | -35.2 | 0 | 0 | 0 | 111.9 | K243 | P241-K243 PolarHBondContact O-N 3.44Š| ||
| 242 | K | 74 | Confident | 75.5 | Confident | 151 Ų | 151 | 139.7 Ų | 139.7 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 117.7 | 176.8 | -71.2 | 157.4 | -174.6 | 156.5 | 0 | 108.8 | S240 S244 | S240-K242 VanDerWaalsContact C-N 3.29Å; S240-K242 PolarHBondContact O-N 2.82Å; S240-K242 VanDerWaalsContact OG-CE 3.28Å; S240-K242 WeakPolarHBondContact OG-CE 3.49Å; S240-K242 PolarHBondContact OG-NZ 2.91Å; K242-S244 PolarHBondContact O-N 2.78Å |
| 243 | K | 77.9 | Confident | 74.2 | Confident | 196 Ų | 196 | 147.1 Ų | 147.1 | 85% | 0.852 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 127.2 | 177.5 | -57 | 177.6 | -175.7 | 180 | 0 | 109 | P241 V245 | P241-K243 PolarHBondContact O-N 3.44Å; K243-V245 PolarHBondContact O-N 3.36Å |
| 244 | S | 76.9 | Confident | 73.1 | Confident | 102 Ų | 102 | 145 Ų | 145 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 127.4 | -179.1 | 45.2 | 0 | 0 | 0 | 0 | 111.1 | K242 | K242-S244 PolarHBondContact O-N 2.78Š|
| 245 | V | 79.2 | Confident | 71.8 | Confident | 106 Ų | 106 | 141.8 Ų | 141.8 | 64% | 0.642 | 76% | 0.758 | S | S | * | * | trans | -110.6 | 109.4 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 109 | K243 H247 | K243-V245 PolarHBondContact O-N 3.36Å; V245-H247 PolarHBondContact O-N 2.69Å | ||
| 246 | F | 81.4 | Confident | 70.3 | Confident | 190 Ų | 190 | 139.8 Ų | 139.8 | 83% | 0.833 | 76% | 0.763 | S | S | * | * | trans | -86.4 | 105.6 | 175.6 | -76.6 | -87.6 | 0 | 0 | 0 | 110.8 | R248 | F246-R248 PolarHBondContact O-N 3.49Š| ||
| 247 | H | 81.6 | Confident | 68.8 | Low | 168 Ų | 168 | 136 Ų | 136 | 78% | 0.778 | 75% | 0.753 | S | S | * | * | trans | -82.5 | 98.5 | 172.9 | -65.8 | -75.4 | 0 | 0 | 0 | 110.7 | V245 R249 | V245-H247 PolarHBondContact O-N 2.69Å; H247-R249 PolarHBondContact O-N 3.3Å; H247-R249 VanDerWaalsContact O-N 3.13Å | ||
| 248 | R | 83.8 | Confident | 67.2 | Low | 243 Ų | 243 | 135.5 Ų | 135.5 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | trans | -68.7 | 107.1 | 169.3 | -177.8 | -177.9 | -69.6 | -178 | -1.6 | 109.3 | F246 A250 | F246-R248 PolarHBondContact O-N 3.49Å; R248-A250 PolarHBondContact O-N 3.2Å | ||
| 249 | R | 76.7 | Confident | 65.2 | Low | 218 Ų | 218 | 143 Ų | 143 | 82% | 0.823 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 120.2 | 170.2 | -166.5 | 176.4 | -168 | -120.1 | 5.8 | 108.9 | H247 | H247-R249 PolarHBondContact O-N 3.3Å; H247-R249 VanDerWaalsContact O-N 3.13Å |
| 250 | A | 72.7 | Confident | 63.7 | Low | 93 Ų | 93 | 143.9 Ų | 143.9 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 121.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | R248 | R248-A250 PolarHBondContact O-N 3.2Š|
| 251 | E | 66.4 | Low | 62.5 | Low | 144 Ų | 144 | 146 Ų | 146 | 67% | 0.673 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 117.3 | 170.4 | -64.1 | -171.9 | 164.8 | 0 | 0 | 109.4 | R253 | E251-R253 PolarHBondContact O-N 3.19Å; E251-R253 VanDerWaalsContact O-N 3.12Å |
| 252 | A | 56.4 | Low | 61.4 | Low | 102 Ų | 102 | 146.8 Ų | 146.8 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -66.4 | 110.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | A254 | A252-A254 PolarHBondContact O-N 2.81Š| ||
| 253 | R | 55.4 | Low | 60 | Low | 226 Ų | 226 | 146.8 Ų | 146.8 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -67.5 | 95.7 | -179.4 | -73.9 | -69.6 | -170.7 | -174.6 | -1 | 111 | E251 G255 | E251-R253 PolarHBondContact O-N 3.19Å; E251-R253 VanDerWaalsContact O-N 3.12Å; R253-G255 PolarHBondContact O-N 3.35Å | ||
| 254 | A | 54.2 | Low | 58.3 | Low | 95 Ų | 95 | 145.1 Ų | 145.1 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -62.6 | 115.3 | 153.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | A252 | A252-A254 PolarHBondContact O-N 2.81Š| ||
| 255 | G | 46 | Very low | 56.5 | Low | 69 Ų | 69 | 151 Ų | 151 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | -78.4 | 128.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R253 G257 | R253-G255 PolarHBondContact O-N 3.35Å; G255-G257 PolarHBondContact O-N 2.91Å | ||
| 256 | P | 46.8 | Very low | 54.4 | Low | 137 Ų | 137 | 157.1 Ų | 157.1 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | trans | -74.9 | 115.8 | 171.7 | 30 | -31.9 | 0 | 0 | 0 | 110 | ||||
| 257 | G | 47 | Very low | 52 | Low | 65 Ų | 65 | 155 Ų | 155 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | trans | -111.1 | 128.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | G255 | G255-G257 PolarHBondContact O-N 2.91Š| ||
| 258 | A | 46.8 | Very low | 49.7 | Very low | 87 Ų | 87 | 155.2 Ų | 155.2 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | trans | 65.6 | 165.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 259 | W | 35.2 | Very low | 48.1 | Very low | 252 Ų | 252 | 147.7 Ų | 147.7 | 96% | 0.955 | 79% | 0.787 | S | S | * | * | trans | 63.1 | 121.8 | -168.8 | -39.5 | 93.3 | 0 | 0 | 0 | 112.4 | ||||
| 260 | Q | 42.1 | Very low | 45.7 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | cis | -147.6 | 132.8 | 15.7 | -173.3 | 175.2 | 36.3 | 0 | 0 | 110.1 | ||||
| 261 | A | 46.9 | Very low | 43.7 | Very low | 99 Ų | 99 | 145 Ų | 145 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -104 | 123.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 262 | Q | 41.9 | Very low | 42.1 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 71% | 0.71 | 80% | 0.799 | S | S | * | * | trans | -166.3 | 108.9 | 156.8 | -167.8 | 66 | -57.6 | 0 | 0 | 113 | ||||
| 263 | Q | 44.1 | Very low | 41.6 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | 66.4 | 157.3 | 162 | -59.9 | 168.9 | 38.9 | 0 | 0 | 116.2 | ||||
| 264 | Q | 42.8 | Very low | 40.7 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | cis | -145.1 | 152.6 | 14.1 | -150.9 | 164.6 | 0 | 0 | 0 | 112.9 | ||||
| 265 | R | 38.8 | Very low | 40.3 | Very low | 224 Ų | 224 | 142.8 Ų | 142.8 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | -19.6 | 130.4 | 179.8 | -50.3 | -174.3 | -58 | 162.7 | 4.5 | 117.5 | ||||
| 266 | R | 35.1 | Very low | 40 | Very low | 236 Ų | 236 | 148 Ų | 148 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | 75.7 | 99.9 | 54.3 | -166 | -162 | -147.4 | -109.2 | 5.3 | 115.5 | |||||
| 267 | T | 32.2 | Very low | 40.3 | Very low | 146 Ų | 146 | 149.6 Ų | 149.6 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | trans | -156.3 | 147.1 | 141 | 20.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 268 | E | 32.9 | Very low | 40.8 | Very low | 171 Ų | 171 | 152.8 Ų | 152.8 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -129.7 | 179.8 | -174.6 | -78.6 | -76.7 | 166.9 | 0 | 0 | 107.8 | ||||
| 269 | P | 48.8 | Very low | 41.5 | Very low | 85 Ų | 85 | 154.5 Ų | 154.5 | 55% | 0.552 | 81% | 0.809 | S | S | * | * | cis | -134.3 | -172.5 | -13.5 | 17.6 | 8.9 | 0 | 0 | 0 | 113.9 | ||||
| 270 | H | 27.7 | Very low | 43.1 | Very low | 186 Ų | 186 | 146.9 Ų | 146.9 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | 78.1 | 142.1 | 168.7 | -43.4 | 92.6 | 0 | 0 | 0 | 116.2 | ||||
| 271 | G | 30.6 | Very low | 44.1 | Very low | 68 Ų | 68 | 147.3 Ų | 147.3 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | 173.6 | -168 | -3.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 272 | A | 33.5 | Very low | 45.3 | Very low | 115 Ų | 115 | 146.9 Ų | 146.9 | 95% | 0.95 | 79% | 0.791 | S | S | * | * | trans | 68.3 | 148.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 273 | A | 44.8 | Very low | 46.4 | Very low | 100 Ų | 100 | 147.4 Ų | 147.4 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | -112.2 | 142.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 274 | T | 35.7 | Very low | 47.9 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -134.8 | 138.4 | 155.2 | -65.6 | 0 | 0 | 0 | 0 | 108 | E276 | T274-E276 PolarHBondContact O-N 3.01Š| ||
| 275 | Q | 46.7 | Very low | 49.4 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -82.4 | 88.7 | 174.3 | 179.1 | -179.4 | -8.1 | 0 | 0 | 108.6 | E277 | Q275-E277 PolarHBondContact O-N 3.03Š| ||
| 276 | E | 40.6 | Very low | 51.1 | Low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | trans | -73.3 | 111.6 | 169.9 | -70.2 | -160 | 137 | 0 | 0 | 109.8 | T274 | T274-E276 PolarHBondContact O-N 3.01Š| ||
| 277 | E | 52.6 | Low | 53.1 | Low | 169 Ų | 169 | 134.2 Ų | 134.2 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -62.7 | 133.3 | 160.1 | -65.2 | -164.2 | 130.8 | 0 | 0 | 108.7 | Q275 P279 | Q275-E277 PolarHBondContact O-N 3.03Å; E277-P279 WeakPolarHBondContact O-CD 3.31Å; E277-P279 VanDerWaalsContact O-N 3.1Å | ||
| 278 | T | 57.5 | Low | 55.2 | Low | 132 Ų | 132 | 135 Ų | 135 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | -60.8 | 114.2 | 170.2 | 48.7 | 0 | 0 | 0 | 0 | 108.7 | A280 | T278-A280 PolarHBondContact O-N 3.13Š| ||
| 279 | P | 61.4 | Low | 57.4 | Low | 123 Ų | 123 | 134.5 Ų | 134.5 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | trans | -63.5 | 125.6 | -179.5 | 25.8 | -33.3 | 0 | 0 | 0 | 108.8 | E277 F281 | E277-P279 WeakPolarHBondContact O-CD 3.31Å; E277-P279 VanDerWaalsContact O-N 3.1Å; P279-F281 PolarHBondContact O-N 3.33Å; P279-F281 VanDerWaalsContact O-N 3.17Å | ||
| 280 | A | 68.8 | Low | 58.9 | Low | 93 Ų | 93 | 138.9 Ų | 138.9 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -58.5 | 122.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109 | T278 S282 | T278-A280 PolarHBondContact O-N 3.13Å; A280-S282 PolarHBondContact O-N 2.92Å | ||
| 281 | F | 63 | Low | 61.3 | Low | 196 Ų | 196 | 137 Ų | 137 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -62.3 | 97.7 | -174.9 | -178 | -93.1 | 0 | 0 | 0 | 110.7 | P279 | P279-F281 PolarHBondContact O-N 3.33Å; P279-F281 VanDerWaalsContact O-N 3.17Å | ||
| 282 | S | 72.1 | Confident | 63.4 | Low | 90 Ų | 90 | 140.5 Ų | 140.5 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | trans | -86.5 | 120.9 | 174.1 | 49.5 | 0 | 0 | 0 | 0 | 109.2 | A280 V284 | A280-S282 PolarHBondContact O-N 2.92Å; S282-V284 PolarHBondContact O-N 2.91Å | ||
| 283 | F | 64.6 | Low | 65.1 | Low | 164 Ų | 164 | 141.5 Ų | 141.5 | 72% | 0.719 | 75% | 0.753 | S | S | * | * | trans | -70.3 | 102.8 | 169.9 | -176 | -93.1 | 0 | 0 | 0 | 108.6 | P285 | F283-P285 HydrophobicContact CD1-CG 4.49Å; F283-P285 WeakPolarHBondContact O-CD 3.46Å | ||
| 284 | V | 75.6 | Confident | 66.4 | Low | 111 Ų | 111 | 145.2 Ų | 145.2 | 67% | 0.673 | 75% | 0.751 | S | S | * | * | trans | -78.8 | 117.4 | 171.3 | 179.9 | 0 | 0 | 0 | 0 | 107.8 | S282 S286 | S282-V284 PolarHBondContact O-N 2.91Å; V284-S286 PolarHBondContact O-N 3.1Å; V284-S286 VanDerWaalsContact O-N 3.12Å | ||
| 285 | P | 74 | Confident | 67.4 | Low | 99 Ų | 99 | 151.5 Ų | 151.5 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | trans | -67.2 | 112.4 | 176.7 | -18.6 | 33.1 | 0 | 0 | 0 | 110 | F283 | F283-P285 HydrophobicContact CD1-CG 4.49Å; F283-P285 WeakPolarHBondContact O-CD 3.46Å | ||
| 286 | S | 74.6 | Confident | 68.5 | Low | 86 Ų | 86 | 150.2 Ų | 150.2 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | trans | -70.4 | 128.9 | 173.6 | 48.8 | 0 | 0 | 0 | 0 | 110.2 | V284 E288 | V284-S286 PolarHBondContact O-N 3.1Å; V284-S286 VanDerWaalsContact O-N 3.12Å; S286-E288 PolarHBondContact O-N 3.34Å | ||
| 287 | Q | 76.6 | Confident | 69.9 | Low | 198 Ų | 198 | 148.6 Ų | 148.6 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | trans | -78.9 | 14.3 | 174.2 | -66.4 | -85.9 | 9.9 | 0 | 0 | 112.5 | ||||
| 288 | E | 76.6 | Confident | 70.9 | Confident | 163 Ų | 163 | 147.5 Ų | 147.5 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | -80.7 | 119.5 | 175.1 | -73.1 | -177 | 127.8 | 0 | 0 | 110 | S286 F290 | S286-E288 PolarHBondContact O-N 3.34Å; E288-F290 PolarHBondContact O-N 2.89Å | ||
| 289 | E | 79.1 | Confident | 71.7 | Confident | 161 Ų | 161 | 148.4 Ų | 148.4 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | -65.2 | 116.7 | 171.6 | -76.1 | -174.5 | 130.1 | 0 | 0 | 110.2 | H291 | E289-H291 PolarHBondContact O-N 3.04Å; E289-H291 PolarHBondContact O-ND1 2.99Å; E289-H291 IonicContact OE2-CE1 3.96Å | ||
| 290 | F | 80.3 | Confident | 72.3 | Confident | 177 Ų | 177 | 150 Ų | 150 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | -77.2 | 90.2 | -173.8 | -160.7 | -85.2 | 0 | 0 | 0 | 111.5 | E288 F292 | E288-F290 PolarHBondContact O-N 2.89Å; F290-F292 HydrophobicContact CD1-CD2 4.01Å; F290-F292 AromaticContact CD1-CE2 3.77Å; F290-F292 HydrophobicContact CD1-CE2 3.77Å; F290-F292 HydrophobicContact CE1-CD2 4.16Å; F290-F292 AromaticContact CE1-CE2 3.71Å; F290-F292 HydrophobicContact CE1-CE2 3.71Å; F290-F292 HydrophobicContact CE1-CZ 4.09Å | ||
| 291 | H | 79.8 | Confident | 72.6 | Confident | 146 Ų | 146 | 153.8 Ų | 153.8 | 68% | 0.676 | 75% | 0.752 | S | S | * | * | trans | -80.2 | 121.6 | -179 | -73.7 | 73.7 | 0 | 0 | 0 | 111.9 | E289 | E289-H291 PolarHBondContact O-N 3.04Å; E289-H291 PolarHBondContact O-ND1 2.99Å; E289-H291 IonicContact OE2-CE1 3.96Å | ||
| 292 | F | 73.4 | Confident | 73.3 | Confident | 142 Ų | 142 | 150.8 Ų | 150.8 | 62% | 0.623 | 75% | 0.745 | S | S | * | * | trans | -85 | 116.2 | 168 | -87.8 | -97 | 0 | 0 | 0 | 110.8 | F290 F294 | F290-F292 HydrophobicContact CD1-CD2 4.01Å; F290-F292 AromaticContact CD1-CE2 3.77Å; F290-F292 HydrophobicContact CD1-CE2 3.77Å; F290-F292 HydrophobicContact CE1-CD2 4.16Å; F290-F292 AromaticContact CE1-CE2 3.71Å; F290-F292 HydrophobicContact CE1-CE2 3.71Å; F290-F292 HydrophobicContact CE1-CZ 4.09Å; F292-F294 HydrophobicContact CB-CD2 3.83Å; F292-F294 HydrophobicContact CB-CE2 3.37Å; F292-F294 HydrophobicContact CB-CZ 3.85Å; F292-F294 HydrophobicContact CD1-CE1 4.24Å; F292-F294 HydrophobicContact CD1-CE2 4.18Å; F292-F294 AromaticContact CD1-CZ 3.73Å; F292-F294 HydrophobicContact CD1-CZ 3.73Å; F292-F294 AromaticContact CG-CE2 3.97Å; F292-F294 HydrophobicContact CG-CE2 3.97Å; F292-F294 AromaticContact CG-CZ 3.98Å; F292-F294 HydrophobicContact CG-CZ 3.98Å; F292-F294 PolarHBondContact O-N 3.27Å | ||
| 293 | N | 69.6 | Low | 73.4 | Confident | 135 Ų | 135 | 155.5 Ų | 155.5 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | -78.6 | 102.8 | 168.4 | -76.6 | -28.1 | 0 | 0 | 0 | 110 | F295 | N293-F295 HydrophobicContact CB-CD2 4.43Š| ||
| 294 | F | 71.4 | Confident | 74.1 | Confident | 179 Ų | 179 | 154.8 Ų | 154.8 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | -101.6 | 60 | 171.1 | -65.8 | -69.6 | 0 | 0 | 0 | 110.8 | F292 | F292-F294 HydrophobicContact CB-CD2 3.83Å; F292-F294 HydrophobicContact CB-CE2 3.37Å; F292-F294 HydrophobicContact CB-CZ 3.85Å; F292-F294 HydrophobicContact CD1-CE1 4.24Å; F292-F294 HydrophobicContact CD1-CE2 4.18Å; F292-F294 AromaticContact CD1-CZ 3.73Å; F292-F294 HydrophobicContact CD1-CZ 3.73Å; F292-F294 AromaticContact CG-CE2 3.97Å; F292-F294 HydrophobicContact CG-CE2 3.97Å; F292-F294 AromaticContact CG-CZ 3.98Å; F292-F294 HydrophobicContact CG-CZ 3.98Å; F292-F294 PolarHBondContact O-N 3.27Å | ||
| 295 | F | 58.1 | Low | 74 | Confident | 260 Ų | 260 | 158.7 Ų | 158.7 | 100% | 1.14 | 76% | 0.764 | S | S | * | * | trans | -103.2 | 0 | 172.3 | -73.6 | -72.9 | 0 | 0 | 0 | 110.6 | N293 | N293-F295 HydrophobicContact CB-CD2 4.43Š|
Retrieved 295 of 295 residues in 276.4 ms
(Link to these results)