| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.6 | Very low | 50.1 | Low | 227 Ų | 227 | 147.7 Ų | 147.7 | 100% | 1.118 | 83% | 0.825 | S | S | * | * | 0 | 86.2 | 0 | 46.6 | -174.4 | -179.9 | 0 | 0 | 106.2 | |||||
| 2 | E | 43.2 | Very low | 50.1 | Low | 175 Ų | 175 | 149.8 Ų | 149.8 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | 113.9 | 103.8 | 100.5 | -85.6 | -167.3 | 92.6 | 0 | 0 | 106.1 | |||||
| 3 | L | 49.6 | Very low | 49.4 | Very low | 146 Ų | 146 | 144.3 Ų | 144.3 | 76% | 0.764 | 83% | 0.83 | S | S | * | * | 61.1 | 110.3 | 94 | -74.6 | 170.3 | 0 | 0 | 0 | 113.4 | |||||
| 4 | Q | 49.3 | Very low | 49.3 | Very low | 190 Ų | 190 | 141.3 Ų | 141.3 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | trans | -157.3 | 114.7 | 135.2 | -157.9 | 87.3 | 6.3 | 0 | 0 | 109.8 | ||||
| 5 | V | 52.5 | Low | 49.3 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 70% | 0.703 | 82% | 0.822 | S | S | * | * | trans | -67.4 | 132 | 170.4 | 166.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 6 | G | 46.8 | Very low | 49.3 | Very low | 84 Ų | 84 | 139.9 Ų | 139.9 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | trans | -123.3 | 74.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 7 | S | 52.6 | Low | 49.2 | Very low | 93 Ų | 93 | 137.6 Ų | 137.6 | 65% | 0.65 | 82% | 0.815 | S | S | * | * | trans | -90 | 113.1 | 167.5 | 49.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 8 | E | 54.1 | Low | 49.1 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | 176 | 129.2 | 141.1 | -98.2 | -179.2 | 157.3 | 0 | 0 | 109.5 | ||||
| 9 | P | 59.8 | Low | 49 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | -123.3 | 107.5 | 128.1 | 32.7 | -28.6 | 0 | 0 | 0 | 111.3 | |||||
| 10 | M | 51 | Low | 48.8 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | trans | -71.4 | 119 | 153.5 | -73 | -83.2 | -89.7 | 0 | 0 | 107.9 | ||||
| 11 | T | 53.4 | Low | 48.5 | Very low | 140 Ų | 140 | 138 Ų | 138 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | -175.9 | 120.7 | 126.8 | 48.2 | 0 | 0 | 0 | 0 | 109.2 | G13 | T11-G13 PolarHBondContact O-N 2.93Š| |||
| 12 | L | 50.1 | Low | 49.2 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -69.9 | 107.2 | 173.5 | -67.8 | 162.2 | 0 | 0 | 0 | 109 | S14 | L12-S14 PolarHBondContact O-N 3.05Š| ||
| 13 | G | 41.7 | Very low | 49.8 | Very low | 78 Ų | 78 | 128.2 Ų | 128.2 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -78.9 | 100.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | T11 | T11-G13 PolarHBondContact O-N 2.93Š| ||
| 14 | S | 47.1 | Very low | 49.7 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | -74.2 | 135.9 | 167.5 | -48.5 | 0 | 0 | 0 | 0 | 110 | L12 T16 | L12-S14 PolarHBondContact O-N 3.05Å; S14-T16 PolarHBondContact O-N 3.34Å | ||
| 15 | P | 49.3 | Very low | 50.3 | Low | 128 Ų | 128 | 124.8 Ų | 124.8 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -70.4 | 115.7 | 167.9 | 27.2 | -30.3 | 0 | 0 | 0 | 109.5 | S17 | P15-S17 PolarHBondContact O-N 3.12Š| ||
| 16 | T | 50.3 | Low | 50.6 | Low | 132 Ų | 132 | 128.2 Ų | 128.2 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 126.3 | 169.4 | 149.3 | 0 | 0 | 0 | 0 | 109.9 | S14 | S14-T16 PolarHBondContact O-N 3.34Š|
| 17 | S | 46.8 | Very low | 51.3 | Low | 102 Ų | 102 | 129.6 Ų | 129.6 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 130.8 | 172.9 | -173.7 | 0 | 0 | 0 | 0 | 111.4 | P15 K19 | P15-S17 PolarHBondContact O-N 3.12Å; S17-K19 PolarHBondContact O-N 3.48Å |
| 18 | P | 47.7 | Very low | 51.9 | Low | 115 Ų | 115 | 128 Ų | 128 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 120.4 | 171.2 | 28.1 | -27.8 | 0 | 0 | 0 | 109.6 | ||
| 19 | K | 47.5 | Very low | 52.2 | Low | 195 Ų | 195 | 122.1 Ų | 122.1 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 127.4 | 168.4 | -169 | 161.2 | -174.8 | 162.2 | 0 | 109.4 | S17 T21 | S17-K19 PolarHBondContact O-N 3.48Å; K19-T21 PolarHBondContact O-N 3.28Å |
| 20 | P | 44.8 | Very low | 52.2 | Low | 123 Ų | 123 | 123.4 Ų | 123.4 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | trans | -68.3 | 110.9 | 177.3 | 25.5 | -30.6 | 0 | 0 | 0 | 109.1 | ||||
| 21 | T | 41.8 | Very low | 52.7 | Low | 125 Ų | 125 | 122.4 Ų | 122.4 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | trans | -70 | 136.6 | 164.5 | -160.3 | 0 | 0 | 0 | 0 | 108.4 | K19 G23 | K19-T21 PolarHBondContact O-N 3.28Å; T21-G23 PolarHBondContact O-N 3.49Å | ||
| 22 | S | 54.4 | Low | 53 | Low | 126 Ų | 126 | 122.8 Ų | 122.8 | 88% | 0.881 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | 116.1 | 174.8 | -160.6 | 0 | 0 | 0 | 0 | 108.9 | ||
| 23 | G | 55.1 | Low | 53.5 | Low | 70 Ų | 70 | 117.7 Ų | 117.7 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 139.6 | 6.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | T21 Q25 | T21-G23 PolarHBondContact O-N 3.49Å; G23-Q25 PolarHBondContact O-N 3.31Å |
| 24 | A | 48.4 | Very low | 54.3 | Low | 84 Ų | 84 | 120.2 Ų | 120.2 | 69% | 0.694 | 72% | 0.72 | S | S | * | * | trans | -92.5 | 86.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F26 | A24-F26 HydrophobicContact CB-CD2 4.45Å; A24-F26 PolarHBondContact O-N 3.06Å | ||
| 25 | Q | 60.8 | Low | 54.7 | Low | 181 Ų | 181 | 122 Ų | 122 | 85% | 0.846 | 72% | 0.72 | S | S | * | * | trans | -84.8 | 86.7 | 170.3 | -63.3 | -140.1 | -24.3 | 0 | 0 | 110.3 | G23 | G23-Q25 PolarHBondContact O-N 3.31Š| ||
| 26 | F | 58.5 | Low | 54.8 | Low | 187 Ų | 187 | 121.4 Ų | 121.4 | 82% | 0.82 | 72% | 0.717 | S | S | * | * | trans | -123.7 | 14.6 | 171.6 | -73.8 | -76.9 | 0 | 0 | 0 | 113.6 | A24 | A24-F26 HydrophobicContact CB-CD2 4.45Å; A24-F26 PolarHBondContact O-N 3.06Å | ||
| 27 | L | 61.8 | Low | 54.6 | Low | 114 Ų | 114 | 119.5 Ų | 119.5 | 60% | 0.597 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -128.1 | 120.9 | 168.2 | -78.9 | 164.8 | 0 | 0 | 0 | 108.5 | G29 | L27-G29 PolarHBondContact O-N 3.34Š|
| 28 | P | 66 | Low | 54.3 | Low | 58 Ų | 58 | 120.4 Ų | 120.4 | 38% | 0.377 | 72% | 0.718 | S | S | . | * | trans | -64.4 | 136.4 | 175.3 | 23 | -29.2 | 0 | 0 | 0 | 110.9 | F30 L31 | P28-F30 HydrophobicContact CB-CD1 3.95Å; P28-F30 HydrophobicContact CB-CD2 3.67Å; P28-F30 HydrophobicContact CB-CE1 3.47Å; P28-F30 VanDerWaalsContact CB-CE1 3.47Å; P28-F30 HydrophobicContact CB-CE2 3.16Å; P28-F30 HydrophobicContact CB-CG 4.07Å; P28-F30 HydrophobicContact CB-CZ 3.07Å; P28-F30 HydrophobicContact CG-CD2 3.79Å; P28-F30 HydrophobicContact CG-CE1 4.46Å; P28-F30 HydrophobicContact CG-CE2 3.24Å; P28-F30 HydrophobicContact CG-CZ 3.65Å; P28-F30 PolarHBondContact O-N 3.14Å; P28-L31 PolarHBondContact O-N 3.47Å | ||
| 29 | G | 59.7 | Low | 54.2 | Low | 41 Ų | 41 | 120 Ų | 120 | 42% | 0.423 | 72% | 0.724 | S | S | . | * | G | 310 helix | trans | -57.1 | -19.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L27 L31 M32 | L27-G29 PolarHBondContact O-N 3.34Å; G29-L31 PolarHBondContact O-N 2.96Å; G29-M32 PolarHBondContact O-N 3.27Å; G29-M32 VanDerWaalsContact O-N 3.11Å |
| 30 | F | 60.1 | Low | 53.9 | Low | 165 Ų | 165 | 115.8 Ų | 115.8 | 72% | 0.724 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -65.2 | -17.9 | 173.5 | 28.6 | -90.8 | 0 | 0 | 0 | 114.1 | P28 | P28-F30 HydrophobicContact CB-CD1 3.95Å; P28-F30 HydrophobicContact CB-CD2 3.67Å; P28-F30 HydrophobicContact CB-CE1 3.47Å; P28-F30 VanDerWaalsContact CB-CE1 3.47Å; P28-F30 HydrophobicContact CB-CE2 3.16Å; P28-F30 HydrophobicContact CB-CG 4.07Å; P28-F30 HydrophobicContact CB-CZ 3.07Å; P28-F30 HydrophobicContact CG-CD2 3.79Å; P28-F30 HydrophobicContact CG-CE1 4.46Å; P28-F30 HydrophobicContact CG-CE2 3.24Å; P28-F30 HydrophobicContact CG-CZ 3.65Å; P28-F30 PolarHBondContact O-N 3.14Å |
| 31 | L | 61.9 | Low | 53.7 | Low | 132 Ų | 132 | 115.8 Ų | 115.8 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -88 | -18 | 174.6 | -122.2 | 154.5 | 0 | 0 | 0 | 113 | P28 G29 | P28-L31 PolarHBondContact O-N 3.47Å; G29-L31 PolarHBondContact O-N 2.96Å |
| 32 | M | 60.4 | Low | 53.9 | Low | 147 Ų | 147 | 116.9 Ų | 116.9 | 72% | 0.724 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 4.1 | -178.7 | -146 | 86.3 | 76.7 | 0 | 0 | 113.3 | G29 D34 | G29-M32 PolarHBondContact O-N 3.27Å; G29-M32 VanDerWaalsContact O-N 3.11Å; M32-D34 VanDerWaalsContact C-N 3.34Å; M32-D34 PolarHBondContact O-N 3.38Å |
| 33 | G | 58.8 | Low | 53.1 | Low | 67 Ų | 67 | 116.6 Ų | 116.6 | 69% | 0.691 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.7 | 13.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L35 | G33-L35 PolarHBondContact O-N 2.77Š|
| 34 | D | 59.7 | Low | 52.4 | Low | 131 Ų | 131 | 122.4 Ų | 122.4 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | trans | -93.4 | 78.3 | 173.8 | -165.9 | 21.2 | 0 | 0 | 0 | 110.2 | M32 | M32-D34 VanDerWaalsContact C-N 3.34Å; M32-D34 PolarHBondContact O-N 3.38Å | ||
| 35 | L | 55.4 | Low | 52.6 | Low | 138 Ų | 138 | 123.4 Ų | 123.4 | 72% | 0.723 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 128.1 | 161.2 | -73.3 | 163.5 | 0 | 0 | 0 | 107.1 | G33 A37 | G33-L35 PolarHBondContact O-N 2.77Å; L35-A37 PolarHBondContact O-N 2.94Å |
| 36 | P | 50.3 | Low | 51.5 | Low | 117 Ų | 117 | 124.3 Ų | 124.3 | 76% | 0.76 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 117 | 161.7 | 25.8 | -30.3 | 0 | 0 | 0 | 107.6 | ||
| 37 | A | 46.6 | Very low | 50.3 | Low | 91 Ų | 91 | 120.6 Ų | 120.6 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 126.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L35 A39 | L35-A37 PolarHBondContact O-N 2.94Å; A37-A39 PolarHBondContact O-N 2.88Å |
| 38 | P | 41 | Very low | 49 | Very low | 121 Ų | 121 | 122.6 Ų | 122.6 | 79% | 0.786 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 129.2 | 164.3 | 25.9 | -29 | 0 | 0 | 0 | 108.2 | S40 | P38-S40 PolarHBondContact O-N 2.9Å; P38-S40 VanDerWaalsContact O-N 3.12Å |
| 39 | A | 45.4 | Very low | 47.5 | Very low | 106 Ų | 106 | 126 Ų | 126 | 88% | 0.876 | 74% | 0.739 | S | S | * | * | trans | -47.1 | 115.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A37 | A37-A39 PolarHBondContact O-N 2.88Š| ||
| 40 | S | 41.1 | Very low | 46.5 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 136.6 | 170.5 | 56.1 | 0 | 0 | 0 | 0 | 110.1 | P38 Q42 | P38-S40 PolarHBondContact O-N 2.9Å; P38-S40 VanDerWaalsContact O-N 3.12Å; S40-Q42 PolarHBondContact O-N 3.23Å |
| 41 | P | 40.3 | Very low | 46 | Very low | 122 Ų | 122 | 127 Ų | 127 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 124.6 | 169 | 29.1 | -29.6 | 0 | 0 | 0 | 109.3 | ||
| 42 | Q | 45.6 | Very low | 45.1 | Very low | 148 Ų | 148 | 129.1 Ų | 129.1 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 143.1 | 179.6 | -168 | -179.8 | 7.5 | 0 | 0 | 112.1 | S40 R44 | S40-Q42 PolarHBondContact O-N 3.23Å; Q42-R44 HydrophobicContact CG-CG 4.23Å; Q42-R44 VanDerWaalsContact NE2-CG 3.34Å |
| 43 | P | 39.2 | Very low | 44 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -117.7 | 134.6 | 144.9 | 26.5 | -12.2 | 0 | 0 | 0 | 110.9 | ||||
| 44 | R | 40.4 | Very low | 42.9 | Very low | 192 Ų | 192 | 132.3 Ų | 132.3 | 73% | 0.725 | 78% | 0.781 | S | S | * | * | trans | -96 | -172.6 | 170.3 | -52.3 | -173.7 | 176.9 | 173.5 | -1.6 | 110.7 | Q42 | Q42-R44 HydrophobicContact CG-CG 4.23Å; Q42-R44 VanDerWaalsContact NE2-CG 3.34Å | ||
| 45 | P | 52.2 | Low | 41.7 | Very low | 104 Ų | 104 | 130.4 Ų | 130.4 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | -131.3 | 145.6 | -104.2 | 35.9 | -15.3 | 0 | 0 | 0 | 113.9 | |||||
| 46 | F | 36.7 | Very low | 40.9 | Very low | 201 Ų | 201 | 131.4 Ų | 131.4 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | trans | -148.9 | 140.4 | 161.6 | -6.5 | -87.4 | 0 | 0 | 0 | 112.7 | ||||
| 47 | S | 33.6 | Very low | 40 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -95.3 | 169.8 | -166.4 | -44.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 48 | L | 35 | Very low | 39.4 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | trans | 91.1 | 139.3 | 142.1 | -74.2 | 157.8 | 0 | 0 | 0 | 120.7 | ||||
| 49 | T | 33.6 | Very low | 39.3 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | 82.4 | 134.9 | 164.4 | 65.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 50 | S | 40.4 | Very low | 38.7 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | cis | -172.9 | 177.2 | -3 | -114 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 51 | P | 47.6 | Very low | 38.1 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | -95.2 | 170.8 | -157.6 | 38.2 | -35.6 | 0 | 0 | 0 | 116.1 | ||||
| 52 | L | 44.2 | Very low | 37.8 | Very low | 175 Ų | 175 | 135.5 Ų | 135.5 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | trans | -40.6 | 128.2 | 161 | 175.2 | 67.1 | 0 | 0 | 0 | 114.2 | ||||
| 53 | A | 37.9 | Very low | 37.3 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -158.5 | 161.4 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 54 | E | 34.1 | Very low | 37.1 | Very low | 183 Ų | 183 | 132.1 Ų | 132.1 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -107 | 169.5 | -152.4 | -164.7 | 167.5 | 87.7 | 0 | 0 | 112.8 | ||||
| 55 | S | 35.3 | Very low | 36.9 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | 88.8 | 120 | 153.6 | -77.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 56 | L | 38.1 | Very low | 35.8 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | 55.1 | 120.7 | 128.5 | -56.7 | 170.2 | 0 | 0 | 0 | 121.8 | |||||
| 57 | S | 32.1 | Very low | 35.6 | Very low | 116 Ų | 116 | 122 Ų | 122 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | 137 | 139.6 | 116 | 70 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 58 | A | 34 | Very low | 35.5 | Very low | 89 Ų | 89 | 120.9 Ų | 120.9 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | 64.6 | 108 | 139.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 59 | S | 38.4 | Very low | 35.4 | Very low | 99 Ų | 99 | 119.6 Ų | 119.6 | 69% | 0.692 | 81% | 0.81 | S | S | * | * | 19 | 148.4 | 127 | 96.5 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 60 | R | 33 | Very low | 35.5 | Very low | 247 Ų | 247 | 118 Ų | 118 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | trans | 80.9 | 136.7 | 160.5 | -60.5 | 168.4 | 167 | -149.6 | -5.6 | 114.1 | ||||
| 61 | G | 28.9 | Very low | 35.6 | Very low | 72 Ų | 72 | 118.5 Ų | 118.5 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | cis | 161.9 | 143.7 | 2.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 62 | S | 33 | Very low | 35.2 | Very low | 128 Ų | 128 | 121.5 Ų | 121.5 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | 69.3 | 123.1 | 150.2 | -138.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 63 | A | 36.1 | Very low | 34.9 | Very low | 82 Ų | 82 | 118.7 Ų | 118.7 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | 101 | 124.9 | 124.4 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 64 | S | 35 | Very low | 34.8 | Very low | 116 Ų | 116 | 120.4 Ų | 120.4 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | 76 | 138.9 | 148.2 | 77 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 65 | S | 34.9 | Very low | 34.9 | Very low | 115 Ų | 115 | 117.9 Ų | 117.9 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | cis | -172.9 | 154.6 | 30.3 | 45.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 66 | G | 30.8 | Very low | 35.3 | Very low | 81 Ų | 81 | 118.9 Ų | 118.9 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | 63.6 | 123.8 | 150.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 67 | G | 32 | Very low | 35.2 | Very low | 89 Ų | 89 | 117.7 Ų | 117.7 | 92% | 0.918 | 81% | 0.807 | S | S | * | * | cis | 104.7 | 109.7 | 36.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 68 | G | 31.6 | Very low | 35.7 | Very low | 84 Ų | 84 | 118.3 Ų | 118.3 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | 147 | 106.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 69 | S | 32.8 | Very low | 35.9 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -72.5 | 153.4 | 172.8 | -65 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 70 | A | 36.1 | Very low | 35.9 | Very low | 96 Ų | 96 | 124.2 Ų | 124.2 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | -151.3 | 142.7 | 146.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 71 | P | 41.8 | Very low | 36.5 | Very low | 122 Ų | 122 | 120.2 Ų | 120.2 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -93.4 | 152.3 | -169.5 | 36.7 | -32.2 | 0 | 0 | 0 | 112.8 | ||||
| 72 | Q | 39.6 | Very low | 37.2 | Very low | 180 Ų | 180 | 121.8 Ų | 121.8 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -129.4 | 148.6 | 167.4 | -75.6 | -70.4 | -5.3 | 0 | 0 | 110.5 | ||||
| 73 | P | 37.2 | Very low | 38.1 | Very low | 116 Ų | 116 | 120.4 Ų | 120.4 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -86.4 | 152.3 | -159.7 | 35 | -35.3 | 0 | 0 | 0 | 114.2 | ||||
| 74 | V | 36.4 | Very low | 39.1 | Very low | 136 Ų | 136 | 120.2 Ų | 120.2 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -79.7 | 145.2 | 177.1 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 75 | V | 35 | Very low | 39.6 | Very low | 130 Ų | 130 | 120 Ų | 120 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | trans | 161.4 | 147.7 | 143.4 | 155.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 76 | P | 43.4 | Very low | 41 | Very low | 112 Ų | 112 | 120.3 Ų | 120.3 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | cis | -124 | 161 | -30.4 | 28 | -7.7 | 0 | 0 | 0 | 113.8 | ||||
| 77 | T | 37.9 | Very low | 42.2 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -70.6 | 132.7 | 177.9 | 50.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 78 | P | 41.6 | Very low | 43.4 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | -88.1 | 111.3 | 158 | -4.2 | 23.3 | 0 | 0 | 0 | 109.7 | D80 | P78-D80 PolarHBondContact O-N 3.12Š| ||
| 79 | K | 37.7 | Very low | 44.4 | Very low | 192 Ų | 192 | 129.7 Ų | 129.7 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -80.3 | 113.3 | 175.6 | -177.2 | 170.8 | 178.9 | 176.4 | 0 | 109.6 | ||||
| 80 | D | 38.3 | Very low | 45.8 | Very low | 120 Ų | 120 | 131 Ų | 131 | 64% | 0.642 | 78% | 0.778 | S | S | * | * | trans | 75.2 | 132.5 | 136 | -141.2 | -133.5 | 0 | 0 | 0 | 119.5 | P78 | P78-D80 PolarHBondContact O-N 3.12Š| ||
| 81 | K | 47.2 | Very low | 46.6 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 71% | 0.709 | 78% | 0.775 | S | S | * | * | trans | 93.5 | 96.4 | 154.5 | -47.7 | -161.4 | 178.5 | -168.2 | 0 | 120.1 | ||||
| 82 | S | 43.6 | Very low | 46.9 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | 60 | 105.8 | 114.4 | -40 | 0 | 0 | 0 | 0 | 118.5 | A84 | S82-A84 PolarHBondContact O-N 3.04Š| |||
| 83 | G | 51.7 | Low | 47.3 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 100% | 1.01 | 78% | 0.775 | S | S | * | * | trans | -65 | 92.2 | 157 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 84 | A | 55.6 | Low | 48 | Very low | 78 Ų | 78 | 138.9 Ų | 138.9 | 65% | 0.645 | 78% | 0.783 | S | S | * | * | trans | -135.5 | 147.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S82 | S82-A84 PolarHBondContact O-N 3.04Š| ||
| 85 | P | 45.8 | Very low | 48.4 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -66.2 | 149.9 | -179 | 27.1 | -33.4 | 0 | 0 | 0 | 111.6 | V87 | P85-V87 PolarHBondContact O-N 3.46Š| ||
| 86 | P | 64.8 | Low | 48.8 | Very low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -64 | 121.8 | -172.7 | 24.2 | -32.7 | 0 | 0 | 0 | 112.1 | R88 | P86-R88 PolarHBondContact O-N 2.99Š| ||
| 87 | V | 55.7 | Low | 48.7 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | trans | -86.6 | 85.1 | 166.7 | -176.4 | 0 | 0 | 0 | 0 | 107.7 | P85 | P85-V87 PolarHBondContact O-N 3.46Š| ||
| 88 | R | 58.6 | Low | 48.7 | Very low | 233 Ų | 233 | 140.1 Ų | 140.1 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -99.1 | 112.1 | 164.8 | -81.5 | -168.3 | 146.2 | 157.6 | -4.5 | 109.3 | P86 | P86-R88 PolarHBondContact O-N 2.99Š| ||
| 89 | S | 52 | Low | 48.6 | Very low | 73 Ų | 73 | 140.7 Ų | 140.7 | 51% | 0.51 | 80% | 0.795 | S | S | . | * | trans | -69.8 | 122.4 | 178.1 | -171.7 | 0 | 0 | 0 | 0 | 110.3 | Y91 | S89-Y91 PolarHBondContact O-N 3.28Å; S89-Y91 WeakPolarHBondContact OG-CD2 3.39Å; S89-Y91 WeakPolarHBondContact OG-CE2 3.47Å | ||
| 90 | I | 61.2 | Low | 49 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 80% | 0.795 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 16.1 | -174.3 | 43.3 | 164 | 0 | 0 | 0 | 114.3 | ||
| 91 | Y | 53.2 | Low | 48.8 | Very low | 187 Ų | 187 | 138.9 Ų | 138.9 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.3 | 8.7 | -172.8 | -15.8 | -75.5 | 0 | 0 | 0 | 115.6 | S89 | S89-Y91 PolarHBondContact O-N 3.28Å; S89-Y91 WeakPolarHBondContact OG-CD2 3.39Å; S89-Y91 WeakPolarHBondContact OG-CE2 3.47Å |
| 92 | D | 48.6 | Very low | 48.3 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -119.7 | 62.5 | -173.3 | -155.8 | -104.4 | 0 | 0 | 0 | 112.2 | ||||
| 93 | D | 48.8 | Very low | 47.9 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -158.7 | 62.6 | 161.2 | -149.5 | -85.1 | 0 | 0 | 0 | 111.6 | ||||
| 94 | M | 51.8 | Low | 47.3 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | -139.5 | 36.1 | 172.8 | -70.2 | -160.6 | 134.6 | 0 | 0 | 113.7 | ||||
| 95 | V | 44.6 | Very low | 46.4 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -153.1 | 104.7 | 162.3 | 172.4 | 0 | 0 | 0 | 0 | 109.8 | ||
| 96 | T | 43.8 | Very low | 46.3 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 83% | 0.828 | 82% | 0.822 | S | S | * | * | trans | 150.7 | 125.9 | 132.9 | -61.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 97 | M | 39.7 | Very low | 44.6 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 94% | 0.941 | 82% | 0.817 | S | S | * | * | trans | -60.2 | 155.3 | -178.2 | -57.2 | -172.9 | -147.3 | 0 | 0 | 115.7 | ||||
| 98 | G | 37.6 | Very low | 43.7 | Very low | 77 Ų | 77 | 150.2 Ų | 150.2 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | 161.1 | 90.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 99 | T | 41.3 | Very low | 43.1 | Very low | 140 Ų | 140 | 144.5 Ų | 144.5 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -64 | 170.3 | 161.2 | 19.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 100 | P | 45.5 | Very low | 42.3 | Very low | 104 Ų | 104 | 145.8 Ų | 145.8 | 68% | 0.675 | 81% | 0.809 | S | S | * | * | cis | -142.3 | 164.4 | 18.5 | 33.3 | -9.4 | 0 | 0 | 0 | 119.7 | ||||
| 101 | L | 34.6 | Very low | 41.4 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | 60.5 | 112.4 | 138.1 | -66.6 | 164.9 | 0 | 0 | 0 | 122.9 | ||||
| 102 | S | 36.8 | Very low | 40.7 | Very low | 116 Ų | 116 | 146.9 Ų | 146.9 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | 171.5 | 95.2 | 116.6 | -165.6 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 103 | A | 33.8 | Very low | 40.3 | Very low | 91 Ų | 91 | 145.2 Ų | 145.2 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | 61.9 | 80.6 | 89.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 104 | L | 39.7 | Very low | 40.1 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 94% | 0.942 | 82% | 0.817 | S | S | * | * | trans | -139.8 | 126.5 | 138.2 | -155.2 | 76.8 | 0 | 0 | 0 | 110.5 | ||||
| 105 | K | 37.3 | Very low | 39.6 | Very low | 196 Ų | 196 | 142.9 Ų | 142.9 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | trans | -78.7 | 135.1 | -168.2 | -58.6 | 165.1 | 174.9 | 175 | 0 | 111 | ||||
| 106 | Q | 42.2 | Very low | 39.5 | Very low | 206 Ų | 206 | 142.2 Ų | 142.2 | 96% | 0.963 | 82% | 0.819 | S | S | * | * | trans | -149.5 | 145.8 | 133.9 | -72.9 | -147.4 | -52.6 | 0 | 0 | 110 | ||||
| 107 | S | 29.1 | Very low | 39.3 | Very low | 98 Ų | 98 | 140.4 Ų | 140.4 | 69% | 0.685 | 82% | 0.817 | S | S | * | * | trans | -118.8 | 121.7 | -150.4 | 157.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 108 | F | 36.7 | Very low | 39.6 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 77% | 0.768 | 82% | 0.815 | S | S | * | * | trans | 47.6 | 162 | 144.5 | -57.9 | -62.9 | 0 | 0 | 0 | 122.9 | V110 | F108-V110 HydrophobicContact CD1-CG2 4.03Å; F108-V110 HydrophobicContact CE1-CG2 4.41Å | ||
| 109 | P | 46.7 | Very low | 39.6 | Very low | 114 Ų | 114 | 148.2 Ų | 148.2 | 74% | 0.74 | 82% | 0.821 | S | S | * | * | cis | -122 | 140.9 | -0.1 | 36.4 | -20 | 0 | 0 | 0 | 113.6 | ||||
| 110 | V | 35.4 | Very low | 39.3 | Very low | 99 Ų | 99 | 145.6 Ų | 145.6 | 60% | 0.6 | 81% | 0.813 | S | S | * | * | 45.7 | 100.1 | 81.9 | -178.3 | 0 | 0 | 0 | 0 | 114.3 | F108 Q112 | F108-V110 HydrophobicContact CD1-CG2 4.03Å; F108-V110 HydrophobicContact CE1-CG2 4.41Å; V110-Q112 HydrophobicContact CG1-CG 3.86Å | |||
| 111 | M | 42.3 | Very low | 39.3 | Very low | 194 Ų | 194 | 145.8 Ų | 145.8 | 96% | 0.956 | 82% | 0.817 | S | S | * | * | trans | -118.1 | 118.8 | 149.5 | -97.9 | -81.5 | 169.6 | 0 | 0 | 107.2 | ||||
| 112 | Q | 39.5 | Very low | 39.6 | Very low | 171 Ų | 171 | 144.4 Ų | 144.4 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | trans | -76.9 | 134.7 | -172.8 | -69.4 | 161.9 | -49.1 | 0 | 0 | 111 | V110 | V110-Q112 HydrophobicContact CG1-CG 3.86Š| ||
| 113 | S | 39.3 | Very low | 39.9 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | -88.9 | 125 | 157.7 | -64.1 | 0 | 0 | 0 | 0 | 109.1 | L115 | S113-L115 PolarHBondContact O-N 3.21Š| ||
| 114 | P | 45.4 | Very low | 39.9 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -83.4 | 109.9 | 170.2 | 29.5 | -27.4 | 0 | 0 | 0 | 110.2 | ||||
| 115 | L | 40.9 | Very low | 40.2 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -80.3 | 112.7 | 153.6 | -70.5 | 170.1 | 0 | 0 | 0 | 107.4 | S113 | S113-L115 PolarHBondContact O-N 3.21Š| ||
| 116 | S | 42.8 | Very low | 40.2 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -100.8 | 105.6 | 166.6 | -82.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 117 | A | 39.7 | Very low | 40.3 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | -78.9 | 115 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 118 | R | 45.6 | Very low | 40.9 | Very low | 236 Ų | 236 | 141.5 Ų | 141.5 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | 41.9 | 113 | 129.8 | -170.9 | -176.9 | 165.7 | -151.4 | -4.9 | 119.3 | |||||
| 119 | Q | 36.6 | Very low | 41.4 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -161.7 | 153.3 | 135.3 | -63.9 | -165.4 | -13.3 | 0 | 0 | 107.2 | ||||
| 120 | A | 35.4 | Very low | 41.3 | Very low | 84 Ų | 84 | 138.9 Ų | 138.9 | 69% | 0.694 | 81% | 0.812 | S | S | * | * | cis | -161.1 | 151.5 | -35.1 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 121 | S | 45 | Very low | 41.6 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | trans | 62.5 | 109.3 | 157.1 | 41.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 122 | T | 42.1 | Very low | 42 | Very low | 141 Ų | 141 | 137 Ų | 137 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | 178.1 | 149.8 | 121.3 | 27.1 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 123 | P | 42.9 | Very low | 42 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -89.5 | 120.2 | 179.8 | 33.3 | -26.8 | 0 | 0 | 0 | 110.3 | ||||
| 124 | G | 33.8 | Very low | 42.8 | Very low | 72 Ų | 72 | 133.1 Ų | 133.1 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | trans | 174.3 | 128.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 125 | A | 46.5 | Very low | 43.2 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -47.2 | 127.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 126 | V | 36.2 | Very low | 43.9 | Very low | 135 Ų | 135 | 130.7 Ų | 130.7 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -151.7 | 113.1 | 139.3 | -165 | 0 | 0 | 0 | 0 | 107.7 | Q128 | V126-Q128 PolarHBondContact O-N 3.25Š| ||
| 127 | F | 44 | Very low | 44.3 | Very low | 200 Ų | 200 | 128.9 Ų | 128.9 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -62.5 | 120.4 | 173 | -155.7 | -102 | 0 | 0 | 0 | 107.9 | Q129 | F127-Q129 PolarHBondContact O-N 2.94Š| ||
| 128 | Q | 42.5 | Very low | 44.8 | Very low | 185 Ų | 185 | 128.2 Ų | 128.2 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -67.6 | 100.5 | 179.3 | -69.2 | 180 | 10.6 | 0 | 0 | 109 | V126 G130 | V126-Q128 PolarHBondContact O-N 3.25Å; Q128-G130 PolarHBondContact O-N 3.08Å; Q128-G130 VanDerWaalsContact O-N 3.14Å | ||
| 129 | Q | 45.9 | Very low | 45.3 | Very low | 175 Ų | 175 | 122.3 Ų | 122.3 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -73.6 | 102.3 | 166.2 | -161.6 | 141.5 | 1.9 | 0 | 0 | 107.3 | F127 C131 | F127-Q129 PolarHBondContact O-N 2.94Å; Q129-C131 PolarHBondContact O-N 2.62Å | ||
| 130 | G | 45.1 | Very low | 46.1 | Very low | 59 Ų | 59 | 119.3 Ų | 119.3 | 61% | 0.608 | 73% | 0.733 | S | S | * | * | trans | -60.8 | 119.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q128 L132 | Q128-G130 PolarHBondContact O-N 3.08Å; Q128-G130 VanDerWaalsContact O-N 3.14Å; G130-L132 PolarHBondContact O-N 3.04Å | ||
| 131 | C | 42.3 | Very low | 46.8 | Very low | 130 Ų | 130 | 123.8 Ų | 123.8 | 88% | 0.878 | 73% | 0.733 | S | S | * | * | trans | -69.9 | 81.6 | 169.8 | -44 | 0 | 0 | 0 | 0 | 108.7 | Q129 | Q129-C131 PolarHBondContact O-N 2.62Š| ||
| 132 | L | 50 | Low | 47.2 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 64% | 0.644 | 71% | 0.712 | S | S | * | * | trans | -75 | 130.2 | 171.7 | -62.6 | 179 | 0 | 0 | 0 | 108.8 | G130 | G130-L132 PolarHBondContact O-N 3.04Š| ||
| 133 | S | 40.3 | Very low | 47.8 | Very low | 79 Ų | 79 | 120.3 Ų | 120.3 | 55% | 0.552 | 70% | 0.7 | S | S | * | * | trans | -56.2 | 145.1 | 178 | -75 | 0 | 0 | 0 | 0 | 110.9 | A135 Q136 | S133-A135 PolarHBondContact O-N 3.25Å; S133-Q136 PolarHBondContact O-N 3.35Å | ||
| 134 | P | 55.9 | Low | 48.3 | Very low | 125 Ų | 125 | 115.4 Ų | 115.4 | 81% | 0.812 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -12.5 | -179.5 | -26.3 | 34.5 | 0 | 0 | 0 | 115.7 | ||
| 135 | A | 53.2 | Low | 49.1 | Very low | 101 Ų | 101 | 118.9 Ų | 118.9 | 84% | 0.835 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -4.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S133 | S133-A135 PolarHBondContact O-N 3.25Š|
| 136 | Q | 55.3 | Low | 49.5 | Very low | 143 Ų | 143 | 118.4 Ų | 118.4 | 67% | 0.668 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -105.8 | 1.7 | -179.2 | -63.4 | -144.8 | -63.4 | 0 | 0 | 114.2 | S133 D138 | S133-Q136 PolarHBondContact O-N 3.35Å; Q136-D138 PolarHBondContact O-N 3.33Å |
| 137 | V | 51.1 | Low | 50.3 | Low | 82 Ų | 82 | 113.5 Ų | 113.5 | 50% | 0.497 | 63% | 0.63 | S | S | . | * | trans | -87.7 | 89.8 | 173.4 | 69.7 | 0 | 0 | 0 | 0 | 108.1 | P139 S142 | V137-P139 VanDerWaalsContact O-CD 3.23Å; V137-P139 WeakPolarHBondContact O-CD 3.26Å; V137-S142 WeakPolarHBondContact CG2-OG 3.42Å | ||
| 138 | D | 50.4 | Low | 50.7 | Low | 84 Ų | 84 | 108 Ų | 108 | 45% | 0.449 | 62% | 0.616 | S | S | . | * | trans | -63.6 | 116.7 | 164.1 | 178.9 | -8.8 | 0 | 0 | 0 | 106.8 | Q136 F140 Y141 S142 | Q136-D138 PolarHBondContact O-N 3.33Å; D138-F140 PolarHBondContact O-N 3.38Å; D138-F140 VanDerWaalsContact OD1-CB 3.23Å; D138-F140 WeakPolarHBondContact OD1-CB 3.31Å; D138-F140 PolarHBondContact OD1-N 2.97Å; D138-Y141 HydrophobicContact CB-CD2 4.41Å; D138-Y141 PolarHBondContact O-N 3.12Å; D138-S142 PolarHBondContact O-N 3.25Å; D138-S142 PolarHBondContact O-OG 3.16Å | ||
| 139 | P | 56.8 | Low | 51.2 | Low | 112 Ų | 112 | 105.8 Ų | 105.8 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -22.5 | 180 | -24.9 | 35 | 0 | 0 | 0 | 113.1 | V137 | V137-P139 VanDerWaalsContact O-CD 3.23Å; V137-P139 WeakPolarHBondContact O-CD 3.26Å |
| 140 | F | 53.9 | Low | 51.4 | Low | 134 Ų | 134 | 104.5 Ų | 104.5 | 59% | 0.588 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -25.3 | 176.3 | -151.6 | -98.2 | 0 | 0 | 0 | 113.2 | D138 | D138-F140 PolarHBondContact O-N 3.38Å; D138-F140 VanDerWaalsContact OD1-CB 3.23Å; D138-F140 WeakPolarHBondContact OD1-CB 3.31Å; D138-F140 PolarHBondContact OD1-N 2.97Å |
| 141 | Y | 49.5 | Very low | 52.3 | Low | 178 Ų | 178 | 104.8 Ų | 104.8 | 70% | 0.698 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -21.6 | -177.8 | -98.4 | -89.7 | 0 | 0 | 0 | 114.3 | D138 Q143 G144 E145 | D138-Y141 HydrophobicContact CB-CD2 4.41Å; D138-Y141 PolarHBondContact O-N 3.12Å; Y141-Q143 PolarHBondContact O-N 2.94Å; Y141-G144 PolarHBondContact O-N 3.44Å; Y141-E145 PolarHBondContact O-N 3.16Å |
| 142 | S | 54.3 | Low | 53.2 | Low | 45 Ų | 45 | 105.7 Ų | 105.7 | 32% | 0.315 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.2 | -28.5 | -178.7 | -48.8 | 0 | 0 | 0 | 0 | 113.9 | V137 D138 G144 E145 | V137-S142 WeakPolarHBondContact CG2-OG 3.42Å; D138-S142 PolarHBondContact O-N 3.25Å; D138-S142 PolarHBondContact O-OG 3.16Å; S142-G144 VanDerWaalsContact C-N 3.29Å; S142-G144 PolarHBondContact O-N 3.38Å; S142-E145 PolarHBondContact O-N 3.36Å |
| 143 | Q | 53.4 | Low | 54.3 | Low | 130 Ų | 130 | 101.7 Ų | 101.7 | 61% | 0.607 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.6 | -33.6 | 175.1 | -68.8 | -167 | 3 | 0 | 0 | 112 | Y141 S146 I226 | Y141-Q143 PolarHBondContact O-N 2.94Å; Q143-S146 PolarHBondContact O-OG 2.93Å; Q143-S146 VanDerWaalsContact O-OG 3.08Å; Q143-I226 HydrophobicContact CB-CD1 3.87Å |
| 144 | G | 53.8 | Low | 56.1 | Low | 28 Ų | 28 | 101.1 Ų | 101.1 | 29% | 0.289 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -75.8 | -20.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | Y141 S142 S146 L147 | Y141-G144 PolarHBondContact O-N 3.44Å; S142-G144 VanDerWaalsContact C-N 3.29Å; S142-G144 PolarHBondContact O-N 3.38Å; G144-S146 VanDerWaalsContact C-N 3.28Å; G144-S146 PolarHBondContact O-N 3.3Å; G144-L147 VanDerWaalsContact O-CB 3.29Å; G144-L147 WeakPolarHBondContact O-CB 3.46Å; G144-L147 PolarHBondContact O-N 3.41Å |
| 145 | E | 50.2 | Low | 57.6 | Low | 146 Ų | 146 | 99.4 Ų | 99.4 | 68% | 0.682 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.2 | -26.8 | -179.5 | -165.3 | -169.9 | 167.1 | 0 | 0 | 112.7 | Y141 S142 L147 | Y141-E145 PolarHBondContact O-N 3.16Å; S142-E145 PolarHBondContact O-N 3.36Å; E145-L147 PolarHBondContact O-N 3.18Å |
| 146 | S | 55 | Low | 59.5 | Low | 92 Ų | 92 | 96.1 Ų | 96.1 | 64% | 0.643 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -2.3 | 171.9 | 70.7 | 0 | 0 | 0 | 0 | 113.9 | Q143 G144 | Q143-S146 PolarHBondContact O-OG 2.93Å; Q143-S146 VanDerWaalsContact O-OG 3.08Å; G144-S146 VanDerWaalsContact C-N 3.28Å; G144-S146 PolarHBondContact O-N 3.3Å |
| 147 | L | 53.6 | Low | 61.4 | Low | 32 Ų | 32 | 89.5 Ų | 89.5 | 17% | 0.168 | 49% | 0.488 | C | S | . | . | trans | -100.3 | 108 | 179.3 | -52.8 | -177.6 | 0 | 0 | 0 | 109.2 | G144 E145 L153 I226 K228 | G144-L147 VanDerWaalsContact O-CB 3.29Å; G144-L147 WeakPolarHBondContact O-CB 3.46Å; G144-L147 PolarHBondContact O-N 3.41Å; E145-L147 PolarHBondContact O-N 3.18Å; L147-L153 HydrophobicContact CD1-CD1 3.99Å; L147-L153 HydrophobicContact CD1-CD2 4.27Å; L147-L153 HydrophobicContact CD2-CD2 4.45Å; L147-I226 HydrophobicContact CD1-CB 3.86Å; L147-I226 HydrophobicContact CD1-CG2 4.06Å; L147-K228 HydrophobicContact CD2-CD 4.15Å | ||
| 148 | S | 52.9 | Low | 63.5 | Low | 84 Ų | 84 | 85.6 Ų | 85.6 | 59% | 0.587 | 46% | 0.464 | S | S | * | . | trans | -64.5 | 149.8 | 166.8 | -176 | 0 | 0 | 0 | 0 | 109.5 | D150 D151 | S148-D150 PolarHBondContact O-N 3.43Å; S148-D151 WeakPolarHBondContact O-CB 2.93Å; S148-D151 PolarHBondContact O-N 3.18Å | ||
| 149 | S | 51.9 | Low | 65.7 | Low | 139 Ų | 139 | 82.5 Ų | 82.5 | 97% | 0.972 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -10 | 174.7 | -51.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 150 | D | 51.1 | Low | 67.6 | Low | 148 Ų | 148 | 77.1 Ų | 77.1 | 79% | 0.791 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -10.5 | 175.5 | -146.2 | -106.1 | 0 | 0 | 0 | 113.4 | S148 Q152 | S148-D150 PolarHBondContact O-N 3.43Å; D150-Q152 PolarHBondContact O-N 3.36Å |
| 151 | D | 62.7 | Low | 69.6 | Low | 66 Ų | 66 | 73.4 Ų | 73.4 | 35% | 0.353 | 40% | 0.398 | S | S | . | . | trans | -71.7 | 102.9 | 179.2 | -143.2 | -83.1 | 0 | 0 | 0 | 109 | S148 L153 K228 | S148-D151 WeakPolarHBondContact O-CB 2.93Å; S148-D151 PolarHBondContact O-N 3.18Å; D151-L153 PolarHBondContact O-N 3.45Å; D151-K228 VanDerWaalsContact CG-CE 3.49Å; D151-K228 WeakPolarHBondContact OD1-CE 2.9Å; D151-K228 IonicContact OD1-NZ 3.18Å; D151-K228 PolarHBondContact OD1-NZ 3.32Å; D151-K228 WeakPolarHBondContact OD2-CE 3.5Å; D151-K228 IonicContact OD2-NZ 2.72Å; D151-K228 PolarHBondContact OD2-NZ 3.49Å | ||
| 152 | Q | 62.9 | Low | 71.8 | Confident | 148 Ų | 148 | 66.4 Ų | 66.4 | 69% | 0.692 | 38% | 0.379 | S | S | * | . | trans | -69.7 | 78.6 | 179.2 | -176.7 | 92.3 | 81.7 | 0 | 0 | 109.4 | D150 | D150-Q152 PolarHBondContact O-N 3.36Š| ||
| 153 | L | 72.5 | Confident | 73.7 | Confident | 39 Ų | 39 | 64.6 Ų | 64.6 | 20% | 0.204 | 37% | 0.365 | C | S | . | . | trans | -63.1 | 147.1 | 170.9 | -54 | 177.7 | 0 | 0 | 0 | 109.6 | L147 D151 Q155 I226 M231 | L147-L153 HydrophobicContact CD1-CD1 3.99Å; L147-L153 HydrophobicContact CD1-CD2 4.27Å; L147-L153 HydrophobicContact CD2-CD2 4.45Å; D151-L153 PolarHBondContact O-N 3.45Å; L153-Q155 PolarHBondContact O-N 2.99Å; L153-I226 HydrophobicContact CD1-CG2 4.29Å; L153-M231 HydrophobicContact CB-CE 4.21Å; L153-M231 HydrophobicContact CB-SD 4.34Å; L153-M231 HydrophobicContact CD2-CE 3.68Å; L153-M231 HydrophobicContact CG-CE 4.42Å | ||
| 154 | D | 78 | Confident | 75.6 | Confident | 67 Ų | 67 | 61.2 Ų | 61.2 | 36% | 0.358 | 36% | 0.355 | S | S | . | . | trans | -67.4 | 103 | 175.3 | -74.9 | -25.9 | 0 | 0 | 0 | 109.7 | T156 W157 M231 | D154-T156 PolarHBondContact O-N 3.37Å; D154-W157 VanDerWaalsContact CB-CD1 3.47Å; D154-W157 HydrophobicContact CB-CG 4.42Å; D154-W157 PolarHBondContact O-N 2.84Å; D154-M231 HydrophobicContact CB-CG 4.32Å; D154-M231 HydrophobicContact CB-SD 3.77Å | ||
| 155 | Q | 87.7 | Confident | 77.4 | Confident | 90 Ų | 90 | 64.7 Ų | 64.7 | 42% | 0.421 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 6 | 178.3 | -58.1 | -179.2 | 30.4 | 0 | 0 | 113.5 | L153 R200 A203 | L153-Q155 PolarHBondContact O-N 2.99Å; Q155-R200 HydrophobicContact CB-CG 3.9Å; Q155-R200 VanDerWaalsContact CB-NE 3.35Å; Q155-R200 VanDerWaalsContact CD-NH1 3.29Å; Q155-A203 VanDerWaalsContact O-CB 3.31Å; Q155-A203 WeakPolarHBondContact O-CB 3.44Å |
| 156 | T | 92.9 | Very high | 79.5 | Confident | 31 Ų | 31 | 62.5 Ų | 62.5 | 19% | 0.19 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -15.7 | 171.5 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | D154 Y197 | D154-T156 PolarHBondContact O-N 3.37Å; T156-Y197 WeakPolarHBondContact CB-O 3.47Å; T156-Y197 PolarHBondContact O-N 3.46Å |
| 157 | W | 95 | Very high | 81.4 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.015 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 137.4 | 178.4 | -76 | 86.1 | 0 | 0 | 0 | 112.2 | D154 K183 H194 L195 Q196 C225 V230 M231 | D154-W157 VanDerWaalsContact CB-CD1 3.47Å; D154-W157 HydrophobicContact CB-CG 4.42Å; D154-W157 PolarHBondContact O-N 2.84Å; W157-K183 HydrophobicContact CH2-CB 4.07Å; W157-K183 HydrophobicContact CH2-CD 3.93Å; W157-K183 HydrophobicContact CH2-CG 3.94Å; W157-K183 HydrophobicContact CZ2-CB 4.47Å; W157-K183 HydrophobicContact CZ2-CD 4.24Å; W157-H194 HydrophobicContact CE3-CB 4.02Å; W157-H194 HydrophobicContact CZ3-CB 3.9Å; W157-L195 CarbonylContact C-O 3.55Å; W157-L195 WeakPolarHBondContact CA-O 3.32Å; W157-Q196 HydrophobicContact CD2-CB 3.65Å; W157-Q196 HydrophobicContact CD2-CG 3.95Å; W157-Q196 HydrophobicContact CE3-CB 3.86Å; W157-Q196 HydrophobicContact CG-CB 4.29Å; W157-Q196 HydrophobicContact CG-CG 4.22Å; W157-Q196 HydrophobicContact CH2-CB 3.85Å; W157-Q196 HydrophobicContact CZ2-CB 3.64Å; W157-Q196 HydrophobicContact CZ2-CG 3.89Å; W157-Q196 HydrophobicContact CZ3-CB 3.94Å; W157-C225 HydrophobicContact CB-CB 3.47Å; W157-C225 VanDerWaalsContact CB-CB 3.47Å; W157-C225 PolarHBondContact O-N 3.47Å; W157-V230 HydrophobicContact CE3-CG1 3.88Å; W157-V230 HydrophobicContact CH2-CG1 3.52Å; W157-V230 HydrophobicContact CZ2-CG1 4.28Å; W157-V230 WeakPolarHBondContact CZ2-O 3.39Å; W157-V230 HydrophobicContact CZ3-CG1 3.31Å; W157-M231 HydrophobicContact CB-CG 4.19Å; W157-M231 HydrophobicContact CB-SD 4.27Å; W157-M231 HydrophobicContact CD2-CG 4.17Å; W157-M231 HydrophobicContact CG-CG 3.78Å; W157-M231 HydrophobicContact CG-SD 4.4Å |
| 158 | V | 95.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 149.3 | 174.3 | -56.5 | 0 | 0 | 0 | 0 | 110.2 | V160 H194 L195 Y197 A203 A206 L207 V222 K223 | V158-V160 HydrophobicContact CG2-CG2 4.32Å; V158-H194 CarbonylContact O-C 3.53Å; V158-H194 WeakPolarHBondContact O-CA 3.29Å; V158-L195 HydrophobicContact CG2-CB 3.91Å; V158-L195 PolarHBondContact N-O 3.3Å; V158-L195 PolarHBondContact O-N 2.74Å; V158-Y197 HydrophobicContact CG2-CD2 4.12Å; V158-Y197 HydrophobicContact CG2-CE2 3.64Å; V158-A203 HydrophobicContact CG1-CB 3.9Å; V158-A206 HydrophobicContact CG2-CB 4.42Å; V158-L207 HydrophobicContact CG1-CD1 4.3Å; V158-L207 HydrophobicContact CG1-CD2 4.16Å; V158-L207 HydrophobicContact CG1-CG 3.92Å; V158-V222 HydrophobicContact CB-CG1 4.14Å; V158-V222 HydrophobicContact CG2-CG1 4.38Å; V158-K223 CarbonylContact C-O 3.51Å; V158-K223 WeakPolarHBondContact CA-O 3.14Å |
| 159 | T | 95.8 | Very high | 85.3 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 12% | 0.117 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 121.1 | 171.2 | -55.6 | 0 | 0 | 0 | 0 | 108.4 | W192 M193 H194 V222 K223 | T159-W192 HydrophobicContact CG2-CB 4.18Å; T159-M193 WeakPolarHBondContact CA-O 3.4Å; T159-H194 PolarHBondContact OG1-CE1 3.02Å; T159-H194 PolarHBondContact OG1-ND1 3.47Å; T159-V222 WeakPolarHBondContact O-CA 3.39Å; T159-K223 PolarHBondContact N-O 3.38Å; T159-K223 PolarHBondContact O-N 3.21Å |
| 160 | V | 96.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 132.9 | 176.1 | -175 | 0 | 0 | 0 | 0 | 107.7 | V158 F163 I171 F175 W192 M193 L195 V220 G221 V222 | V158-V160 HydrophobicContact CG2-CG2 4.32Å; V160-F163 HydrophobicContact CB-CE1 4.43Å; V160-F163 HydrophobicContact CG1-CD1 4.28Å; V160-F163 HydrophobicContact CG1-CE1 4.13Å; V160-F163 WeakPolarHBondContact O-CE1 3.44Å; V160-I171 HydrophobicContact CG1-CG2 3.81Å; V160-F175 HydrophobicContact CG1-CD2 4.36Å; V160-F175 HydrophobicContact CG1-CE1 4.26Å; V160-F175 HydrophobicContact CG1-CE2 3.8Å; V160-F175 HydrophobicContact CG1-CZ 3.74Å; V160-F175 HydrophobicContact CG2-CD1 3.75Å; V160-F175 HydrophobicContact CG2-CE1 3.57Å; V160-F175 HydrophobicContact CG2-CE2 4.43Å; V160-F175 HydrophobicContact CG2-CG 4.27Å; V160-F175 HydrophobicContact CG2-CZ 3.94Å; V160-W192 CarbonylContact O-C 3.48Å; V160-W192 WeakPolarHBondContact O-CA 3.39Å; V160-W192 WeakPolarHBondContact O-CB 3.33Å; V160-M193 HydrophobicContact CB-CG 3.92Å; V160-M193 PolarHBondContact N-O 2.95Å; V160-M193 PolarHBondContact O-N 3.47Å; V160-L195 HydrophobicContact CG2-CD1 3.7Å; V160-L195 HydrophobicContact CG2-CG 4.25Å; V160-V220 HydrophobicContact CG1-CG1 3.25Å; V160-G221 WeakPolarHBondContact CA-O 3.43Å; V160-V222 HydrophobicContact CG2-CG1 4.3Å |
| 161 | F | 95.8 | Very high | 89.5 | Confident | 56 Ų | 56 | 49.1 Ų | 49.1 | 25% | 0.246 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 172.5 | -178.9 | 64.4 | -89.6 | 0 | 0 | 0 | 112.4 | N191 W192 V220 G221 K223 | F161-N191 VanDerWaalsContact CA-O 3.3Å; F161-N191 WeakPolarHBondContact CA-O 3.44Å; F161-W192 HydrophobicContact CB-CB 3.64Å; F161-V220 WeakPolarHBondContact O-CA 3.4Å; F161-G221 PolarHBondContact N-O 3.13Å; F161-G221 PolarHBondContact O-N 2.84Å; F161-K223 HydrophobicContact CE1-CB 4.43Å; F161-K223 HydrophobicContact CE1-CG 3.72Å; F161-K223 HydrophobicContact CZ-CG 4.3Å |
| 162 | G | 95.1 | Very high | 91.1 | Very high | 30 Ų | 30 | 47.7 Ų | 47.7 | 31% | 0.309 | 28% | 0.28 | S | S | . | . | trans | 90.3 | 16.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | N191 M219 | G162-N191 PolarHBondContact N-O 2.79Å; G162-M219 VanDerWaalsContact O-O 3.1Å | ||
| 163 | F | 94.6 | Very high | 92.7 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | trans | -109.3 | 146.1 | 175.5 | 57.3 | -95.3 | 0 | 0 | 0 | 111.8 | V160 A168 I171 N191 M193 I218 | V160-F163 HydrophobicContact CB-CE1 4.43Å; V160-F163 HydrophobicContact CG1-CD1 4.28Å; V160-F163 HydrophobicContact CG1-CE1 4.13Å; V160-F163 WeakPolarHBondContact O-CE1 3.44Å; F163-A168 HydrophobicContact CD2-CB 3.84Å; F163-A168 HydrophobicContact CE2-CB 3.48Å; F163-A168 VanDerWaalsContact CE2-CB 3.48Å; F163-A168 HydrophobicContact CZ-CB 4.47Å; F163-I171 HydrophobicContact CB-CG1 3.7Å; F163-I171 HydrophobicContact CD1-CB 4.41Å; F163-I171 HydrophobicContact CD1-CG1 4.32Å; F163-I171 HydrophobicContact CD1-CG2 4.11Å; F163-I171 HydrophobicContact CG-CB 4.43Å; F163-I171 HydrophobicContact CG-CG1 4.02Å; F163-N191 WeakPolarHBondContact O-CB 3.43Å; F163-M193 HydrophobicContact CE1-CE 3.72Å; F163-M193 HydrophobicContact CE1-CG 3.97Å; F163-M193 HydrophobicContact CE2-CE 3.73Å; F163-M193 HydrophobicContact CZ-CB 4.04Å; F163-M193 HydrophobicContact CZ-CE 3.27Å; F163-M193 HydrophobicContact CZ-CG 3.87Å; F163-M193 HydrophobicContact CZ-SD 4.4Å; F163-I218 HydrophobicContact CB-CG2 3.79Å | ||
| 164 | P | 94 | Very high | 93.8 | Very high | 60 Ų | 60 | 46.2 Ų | 46.2 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | trans | -67.1 | 143.9 | 172 | 26.8 | -31.4 | 0 | 0 | 0 | 109.9 | A166 S167 A168 I218 | P164-A166 PolarHBondContact O-N 2.92Å; P164-A166 VanDerWaalsContact O-N 3.12Å; P164-S167 PolarHBondContact O-N 3.02Å; P164-A168 PolarHBondContact O-N 3.17Å; P164-I218 HydrophobicContact CG-CD1 4.32Å | ||
| 165 | P | 91.9 | Very high | 94.7 | Very high | 100 Ų | 100 | 43 Ų | 43 | 65% | 0.649 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -54.8 | -34.7 | -177.9 | -27.7 | 34.6 | 0 | 0 | 0 | 113.8 | S167 A168 | P165-S167 PolarHBondContact O-N 2.89Å; P165-A168 VanDerWaalsContact O-CB 3.31Å; P165-A168 WeakPolarHBondContact O-CB 3.25Å; P165-A168 PolarHBondContact O-N 2.93Å |
| 166 | A | 93.4 | Very high | 95.1 | Very high | 101 Ų | 101 | 41.1 Ų | 41.1 | 84% | 0.835 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -62.9 | -24.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | P164 | P164-A166 PolarHBondContact O-N 2.92Å; P164-A166 VanDerWaalsContact O-N 3.12Å |
| 167 | S | 94.8 | Very high | 95.2 | Very high | 33 Ų | 33 | 45.6 Ų | 45.6 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -102.4 | 6 | 179.5 | -54.2 | 0 | 0 | 0 | 0 | 113.4 | P164 P165 S169 Y170 I171 | P164-S167 PolarHBondContact O-N 3.02Å; P165-S167 PolarHBondContact O-N 2.89Å; S167-S169 VanDerWaalsContact C-N 3.32Å; S167-S169 PolarHBondContact O-N 3.15Å; S167-Y170 WeakPolarHBondContact O-CB 3.46Å; S167-Y170 PolarHBondContact O-N 2.9Å; S167-Y170 VanDerWaalsContact O-N 3.09Å; S167-I171 PolarHBondContact O-N 2.9Å; S167-I171 VanDerWaalsContact O-N 3.07Å |
| 168 | A | 94.3 | Very high | 95.2 | Very high | 9 Ų | 9 | 46.7 Ų | 46.7 | 7% | 0.074 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.6 | -45.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F163 P164 P165 Y170 I171 L172 M186 M193 | F163-A168 HydrophobicContact CD2-CB 3.84Å; F163-A168 HydrophobicContact CE2-CB 3.48Å; F163-A168 VanDerWaalsContact CE2-CB 3.48Å; F163-A168 HydrophobicContact CZ-CB 4.47Å; P164-A168 PolarHBondContact O-N 3.17Å; P165-A168 VanDerWaalsContact O-CB 3.31Å; P165-A168 WeakPolarHBondContact O-CB 3.25Å; P165-A168 PolarHBondContact O-N 2.93Å; A168-Y170 VanDerWaalsContact C-N 3.32Å; A168-Y170 PolarHBondContact O-N 2.97Å; A168-I171 PolarHBondContact O-N 3Å; A168-L172 PolarHBondContact O-N 3.06Å; A168-M186 HydrophobicContact CB-CE 3.49Å; A168-M186 VanDerWaalsContact CB-CE 3.49Å; A168-M186 HydrophobicContact CB-SD 4.43Å; A168-M193 HydrophobicContact CB-CE 4.1Å; A168-M193 VanDerWaalsContact O-CE 3.28Å; A168-M193 WeakPolarHBondContact O-CE 3.43Å |
| 169 | S | 94.7 | Very high | 95.2 | Very high | 82 Ų | 82 | 47.2 Ų | 47.2 | 57% | 0.573 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -60.8 | -39 | 177.3 | -52.8 | 0 | 0 | 0 | 0 | 112.8 | S167 L172 L173 | S167-S169 VanDerWaalsContact C-N 3.32Å; S167-S169 PolarHBondContact O-N 3.15Å; S169-L172 PolarHBondContact O-N 3.47Å; S169-L173 VanDerWaalsContact O-CD1 3.3Å; S169-L173 WeakPolarHBondContact O-CD1 3.46Å; S169-L173 WeakPolarHBondContact O-CG 3.44Å; S169-L173 PolarHBondContact O-N 2.95Å |
| 170 | Y | 95.9 | Very high | 95.2 | Very high | 90 Ų | 90 | 50.2 Ų | 50.2 | 35% | 0.353 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 176.5 | 169.7 | -103.9 | 0 | 0 | 0 | 111.4 | S167 A168 L173 Q174 F214 | S167-Y170 WeakPolarHBondContact O-CB 3.46Å; S167-Y170 PolarHBondContact O-N 2.9Å; S167-Y170 VanDerWaalsContact O-N 3.09Å; A168-Y170 VanDerWaalsContact C-N 3.32Å; A168-Y170 PolarHBondContact O-N 2.97Å; Y170-L173 WeakPolarHBondContact O-CB 3.4Å; Y170-L173 PolarHBondContact O-N 2.9Å; Y170-Q174 HydrophobicContact CD1-CG 4.5Å; Y170-Q174 HydrophobicContact CE1-CG 4.05Å; Y170-Q174 HydrophobicContact CE2-CG 4.14Å; Y170-Q174 WeakPolarHBondContact O-CG 3.23Å; Y170-Q174 PolarHBondContact O-N 2.83Å; Y170-F214 HydrophobicContact CE1-CB 4.07Å |
| 171 | I | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 176.9 | -61.6 | -53.2 | 0 | 0 | 0 | 111 | V160 F163 S167 A168 L173 Q174 F175 M193 F214 I218 V220 | V160-I171 HydrophobicContact CG1-CG2 3.81Å; F163-I171 HydrophobicContact CB-CG1 3.7Å; F163-I171 HydrophobicContact CD1-CB 4.41Å; F163-I171 HydrophobicContact CD1-CG1 4.32Å; F163-I171 HydrophobicContact CD1-CG2 4.11Å; F163-I171 HydrophobicContact CG-CB 4.43Å; F163-I171 HydrophobicContact CG-CG1 4.02Å; S167-I171 PolarHBondContact O-N 2.9Å; S167-I171 VanDerWaalsContact O-N 3.07Å; A168-I171 PolarHBondContact O-N 3Å; I171-L173 VanDerWaalsContact C-N 3.29Å; I171-L173 PolarHBondContact O-N 3.48Å; I171-Q174 WeakPolarHBondContact O-CB 3.3Å; I171-Q174 PolarHBondContact O-N 3.2Å; I171-F175 HydrophobicContact CG2-CD2 3.7Å; I171-F175 HydrophobicContact CG2-CE2 3.76Å; I171-F175 VanDerWaalsContact O-CD2 3.3Å; I171-F175 WeakPolarHBondContact O-CD2 3.3Å; I171-F175 PolarHBondContact O-N 2.81Å; I171-M193 HydrophobicContact CB-CE 4.45Å; I171-F214 HydrophobicContact CD1-CB 4.1Å; I171-F214 HydrophobicContact CD1-CD2 4.46Å; I171-F214 HydrophobicContact CD1-CG 4.37Å; I171-I218 HydrophobicContact CD1-CG2 4.24Å; I171-V220 HydrophobicContact CD1-CG2 3.85Å; I171-V220 HydrophobicContact CG1-CG2 4.36Å; I171-V220 HydrophobicContact CG2-CG2 4.38Å |
| 172 | L | 95.8 | Very high | 95.1 | Very high | 35 Ų | 35 | 54 Ų | 54 | 18% | 0.183 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.3 | -45.7 | 175.3 | -179.8 | 64.4 | 0 | 0 | 0 | 111.8 | A168 S169 Q174 F175 A176 I181 H184 M193 L195 | A168-L172 PolarHBondContact O-N 3.06Å; S169-L172 PolarHBondContact O-N 3.47Å; L172-Q174 PolarHBondContact O-N 2.92Å; L172-F175 PolarHBondContact O-N 3Å; L172-A176 PolarHBondContact O-N 3.02Å; L172-I181 HydrophobicContact CD1-CD1 3.84Å; L172-H184 HydrophobicContact CD1-CB 4.05Å; L172-M193 HydrophobicContact CB-CE 4.31Å; L172-M193 HydrophobicContact CB-SD 4.18Å; L172-M193 HydrophobicContact CD1-SD 4.15Å; L172-L195 HydrophobicContact CD1-CD2 3.45Å; L172-L195 VanDerWaalsContact CD1-CD2 3.45Å |
| 173 | L | 95.8 | Very high | 95 | Very high | 116 Ų | 116 | 55.9 Ų | 55.9 | 61% | 0.607 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.4 | -38.8 | 175.7 | -74.9 | 153.6 | 0 | 0 | 0 | 112.5 | S169 Y170 I171 F175 A176 | S169-L173 VanDerWaalsContact O-CD1 3.3Å; S169-L173 WeakPolarHBondContact O-CD1 3.46Å; S169-L173 WeakPolarHBondContact O-CG 3.44Å; S169-L173 PolarHBondContact O-N 2.95Å; Y170-L173 WeakPolarHBondContact O-CB 3.4Å; Y170-L173 PolarHBondContact O-N 2.9Å; I171-L173 VanDerWaalsContact C-N 3.29Å; I171-L173 PolarHBondContact O-N 3.48Å; L173-F175 VanDerWaalsContact C-N 3.34Å; L173-A176 PolarHBondContact O-N 2.82Å |
| 174 | Q | 95.9 | Very high | 94.9 | Very high | 40 Ų | 40 | 60 Ų | 60 | 19% | 0.187 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 174 | -69.5 | -59.5 | -37.1 | 0 | 0 | 111.9 | Y170 I171 L172 Q177 F214 | Y170-Q174 HydrophobicContact CD1-CG 4.5Å; Y170-Q174 HydrophobicContact CE1-CG 4.05Å; Y170-Q174 HydrophobicContact CE2-CG 4.14Å; Y170-Q174 WeakPolarHBondContact O-CG 3.23Å; Y170-Q174 PolarHBondContact O-N 2.83Å; I171-Q174 WeakPolarHBondContact O-CB 3.3Å; I171-Q174 PolarHBondContact O-N 3.2Å; L172-Q174 PolarHBondContact O-N 2.92Å; Q174-Q177 WeakPolarHBondContact O-CB 3.47Å; Q174-Q177 PolarHBondContact O-N 2.92Å; Q174-F214 HydrophobicContact CB-CD1 4.15Å; Q174-F214 HydrophobicContact CB-CE1 3.95Å; Q174-F214 HydrophobicContact CG-CD1 3.92Å; Q174-F214 HydrophobicContact CG-CE1 4.2Å |
| 175 | F | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -75.2 | -24.9 | -179 | -86.2 | -102.9 | 0 | 0 | 0 | 113.5 | V160 I171 L172 L173 Q177 Y178 I181 L195 Y197 A206 F214 V220 V222 | V160-F175 HydrophobicContact CG1-CD2 4.36Å; V160-F175 HydrophobicContact CG1-CE1 4.26Å; V160-F175 HydrophobicContact CG1-CE2 3.8Å; V160-F175 HydrophobicContact CG1-CZ 3.74Å; V160-F175 HydrophobicContact CG2-CD1 3.75Å; V160-F175 HydrophobicContact CG2-CE1 3.57Å; V160-F175 HydrophobicContact CG2-CE2 4.43Å; V160-F175 HydrophobicContact CG2-CG 4.27Å; V160-F175 HydrophobicContact CG2-CZ 3.94Å; I171-F175 HydrophobicContact CG2-CD2 3.7Å; I171-F175 HydrophobicContact CG2-CE2 3.76Å; I171-F175 VanDerWaalsContact O-CD2 3.3Å; I171-F175 WeakPolarHBondContact O-CD2 3.3Å; I171-F175 PolarHBondContact O-N 2.81Å; L172-F175 PolarHBondContact O-N 3Å; L173-F175 VanDerWaalsContact C-N 3.34Å; F175-Q177 PolarHBondContact O-N 2.83Å; F175-Y178 HydrophobicContact CD1-CD2 4.21Å; F175-Y178 HydrophobicContact CG-CD2 4.31Å; F175-Y178 HydrophobicContact CG-CE2 4.47Å; F175-Y178 PolarHBondContact O-N 3.39Å; F175-I181 HydrophobicContact CB-CD1 4.45Å; F175-L195 HydrophobicContact CB-CD1 3.66Å; F175-L195 HydrophobicContact CD1-CD1 4.04Å; F175-L195 HydrophobicContact CG-CD1 4.01Å; F175-Y197 WeakPolarHBondContact CB-OH 3.33Å; F175-Y197 WeakPolarHBondContact CD1-OH 3.33Å; F175-Y197 PolarHBondContact O-OH 2.9Å; F175-A206 HydrophobicContact CD1-CB 3.91Å; F175-A206 HydrophobicContact CE1-CB 3.98Å; F175-F214 HydrophobicContact CE2-CE2 4.14Å; F175-F214 HydrophobicContact CE2-CZ 4.17Å; F175-V220 HydrophobicContact CE2-CG1 3.94Å; F175-V220 HydrophobicContact CZ-CG1 3.87Å; F175-V222 HydrophobicContact CE1-CG1 4.17Å; F175-V222 HydrophobicContact CE1-CG2 3.6Å; F175-V222 HydrophobicContact CZ-CG2 3.44Å; F175-V222 VanDerWaalsContact CZ-CG2 3.44Å |
| 176 | A | 96.4 | Very high | 94.8 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 42% | 0.421 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.7 | -23.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113 | L172 L173 Y178 G179 I181 | L172-A176 PolarHBondContact O-N 3.02Å; L173-A176 PolarHBondContact O-N 2.82Å; A176-Y178 VanDerWaalsContact C-N 3.26Å; A176-Y178 PolarHBondContact O-N 3.01Å; A176-G179 CarbonylContact C-O 3.57Å; A176-I181 HydrophobicContact CB-CD1 3.99Å |
| 177 | Q | 95.9 | Very high | 94.4 | Very high | 125 Ų | 125 | 54.9 Ų | 54.9 | 58% | 0.584 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -20.3 | 175.1 | -64.1 | 172.9 | 61 | 0 | 0 | 112.8 | Q174 F175 | Q174-Q177 WeakPolarHBondContact O-CB 3.47Å; Q174-Q177 PolarHBondContact O-N 2.92Å; F175-Q177 PolarHBondContact O-N 2.83Å |
| 178 | Y | 94.2 | Very high | 93.7 | Very high | 27 Ų | 27 | 58.9 Ų | 58.9 | 11% | 0.106 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -23.5 | 180 | -54.8 | -44.9 | 0 | 0 | 0 | 112.5 | F175 A176 K205 K209 K212 F214 | F175-Y178 HydrophobicContact CD1-CD2 4.21Å; F175-Y178 HydrophobicContact CG-CD2 4.31Å; F175-Y178 HydrophobicContact CG-CE2 4.47Å; F175-Y178 PolarHBondContact O-N 3.39Å; A176-Y178 VanDerWaalsContact C-N 3.26Å; A176-Y178 PolarHBondContact O-N 3.01Å; Y178-K205 WeakPolarHBondContact O-CD 3.46Å; Y178-K209 HydrophobicContact CD2-CG 4.26Å; Y178-K209 HydrophobicContact CE1-CG 4.44Å; Y178-K209 HydrophobicContact CE2-CG 3.74Å; Y178-K212 PolarHBondContact OH-NZ 3.36Å; Y178-F214 HydrophobicContact CE2-CZ 4.23Å; Y178-F214 VanDerWaalsContact OH-CE1 3.29Å; Y178-F214 WeakPolarHBondContact OH-CE1 3.31Å; Y178-F214 WeakPolarHBondContact OH-CZ 3.41Å |
| 179 | G | 95 | Very high | 92.8 | Very high | 11 Ų | 11 | 65.2 Ų | 65.2 | 11% | 0.113 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -177.9 | 169.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A176 I181 | A176-G179 CarbonylContact C-O 3.57Å; G179-I181 PolarHBondContact O-N 2.91Å |
| 180 | N | 96.8 | Very high | 92.4 | Very high | 82 Ų | 82 | 62.3 Ų | 62.3 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | trans | -74.4 | 118.1 | 177.9 | -172.8 | 29.4 | 0 | 0 | 0 | 110.2 | Y197 Q198 Q202 | N180-Y197 WeakPolarHBondContact O-CA 3.42Å; N180-Q198 HydrophobicContact CB-CB 4.14Å; N180-Q198 PolarHBondContact ND2-OE1 2.84Å; N180-Q198 PolarHBondContact O-N 2.86Å; N180-Q202 PolarHBondContact O-OE1 3.09Å | ||
| 181 | I | 96.3 | Very high | 92.3 | Very high | 36 Ų | 36 | 61.3 Ų | 61.3 | 19% | 0.185 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 115 | 179.8 | -59.4 | 175.1 | 0 | 0 | 0 | 108.3 | L172 F175 A176 G179 K183 H184 L195 Q196 Y197 | L172-I181 HydrophobicContact CD1-CD1 3.84Å; F175-I181 HydrophobicContact CB-CD1 4.45Å; A176-I181 HydrophobicContact CB-CD1 3.99Å; G179-I181 PolarHBondContact O-N 2.91Å; I181-K183 WeakPolarHBondContact CG2-O 3.45Å; I181-H184 HydrophobicContact CG2-CB 4.36Å; I181-L195 HydrophobicContact CD1-CD1 4.18Å; I181-L195 HydrophobicContact CD1-CD2 4.39Å; I181-L195 HydrophobicContact CG2-CD2 4.41Å; I181-Q196 CarbonylContact C-O 3.57Å; I181-Q196 WeakPolarHBondContact CA-O 3.4Å; I181-Y197 HydrophobicContact CD1-CE1 4.48Å; I181-Y197 HydrophobicContact CG1-CD1 4.18Å; I181-Y197 HydrophobicContact CG1-CE1 3.7Å |
| 182 | L | 94.3 | Very high | 92.2 | Very high | 99 Ų | 99 | 66.5 Ų | 66.5 | 52% | 0.518 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -41.1 | 178 | -62.1 | -179.3 | 0 | 0 | 0 | 111.8 | Q196 Q198 | L182-Q196 HydrophobicContact CB-CG 4.46Å; L182-Q196 PolarHBondContact N-O 2.72Å; L182-Q198 HydrophobicContact CD1-CB 4.37Å; L182-Q198 HydrophobicContact CD2-CB 4.25Å; L182-Q198 HydrophobicContact CD2-CG 4.49Å; L182-Q198 HydrophobicContact CG-CB 4.23Å |
| 183 | K | 92.9 | Very high | 92.2 | Very high | 69 Ų | 69 | 64.9 Ų | 64.9 | 30% | 0.3 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 142.9 | -176.7 | -170.2 | 164.9 | 177.9 | 156.8 | 0 | 109.9 | W157 I181 Q196 S233 | W157-K183 HydrophobicContact CH2-CB 4.07Å; W157-K183 HydrophobicContact CH2-CD 3.93Å; W157-K183 HydrophobicContact CH2-CG 3.94Å; W157-K183 HydrophobicContact CZ2-CB 4.47Å; W157-K183 HydrophobicContact CZ2-CD 4.24Å; I181-K183 WeakPolarHBondContact CG2-O 3.45Å; K183-Q196 HydrophobicContact CB-CB 3.92Å; K183-Q196 PolarHBondContact O-N 3.18Å; K183-S233 PolarHBondContact NZ-OG 2.9Å |
| 184 | H | 93.3 | Very high | 92.2 | Very high | 95 Ų | 95 | 60 Ų | 60 | 44% | 0.44 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 141 | 169.2 | 73.7 | -78.8 | 0 | 0 | 0 | 109.8 | L172 I181 H194 L195 | L172-H184 HydrophobicContact CD1-CB 4.05Å; I181-H184 HydrophobicContact CG2-CB 4.36Å; H184-H194 CarbonylContact C-O 3.6Å; H184-H194 VanDerWaalsContact CA-O 3.25Å; H184-H194 WeakPolarHBondContact CA-O 3.48Å; H184-L195 HydrophobicContact CB-CD2 3.52Å |
| 185 | T | 92.2 | Very high | 92.2 | Very high | 52 Ų | 52 | 58.1 Ų | 58.1 | 32% | 0.319 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 120.8 | 176.8 | -59 | 0 | 0 | 0 | 0 | 108.4 | M193 H194 | T185-M193 WeakPolarHBondContact O-CA 3.32Å; T185-H194 PolarHBondContact N-O 2.8Å; T185-H194 PolarHBondContact O-N 2.79Å |
| 186 | M | 90.9 | Very high | 92.2 | Very high | 75 Ų | 75 | 59.1 Ų | 59.1 | 37% | 0.369 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 132.7 | 174.6 | -63.3 | -62.9 | -149.6 | 0 | 0 | 109.2 | A168 S188 M193 | A168-M186 HydrophobicContact CB-CE 3.49Å; A168-M186 VanDerWaalsContact CB-CE 3.49Å; A168-M186 HydrophobicContact CB-SD 4.43Å; M186-S188 PolarHBondContact O-N 2.93Å; M186-M193 HydrophobicContact CE-CE 3.79Å; M186-M193 HydrophobicContact SD-CB 3.57Å; M186-M193 VanDerWaalsContact SD-CB 3.57Å; M186-M193 HydrophobicContact SD-CE 3.8Å; M186-M193 HydrophobicContact SD-SD 4.35Å |
| 187 | A | 84.9 | Confident | 92.2 | Very high | 25 Ų | 25 | 56.7 Ų | 56.7 | 21% | 0.207 | 31% | 0.309 | C | S | . | . | trans | -82.2 | 114.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | G190 W192 | A187-G190 CarbonylContact O-C 3.51Å; A187-G190 VanDerWaalsContact O-CA 3.25Å; A187-G190 WeakPolarHBondContact O-CA 3.4Å; A187-G190 PolarHBondContact O-N 2.87Å; A187-W192 HydrophobicContact CB-CD2 4.26Å; A187-W192 HydrophobicContact CB-CG 4.01Å; A187-W192 HydrophobicContact CB-CZ2 4.38Å; A187-W192 PolarHBondContact N-O 3.18Å; A187-W192 VanDerWaalsContact N-O 3.13Å | ||
| 188 | S | 80.4 | Confident | 92.1 | Very high | 117 Ų | 117 | 56.4 Ų | 56.4 | 82% | 0.818 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | 125.6 | 173.9 | -174.6 | 0 | 0 | 0 | 0 | 108.3 | M186 | M186-S188 PolarHBondContact O-N 2.93Š|
| 189 | P | 75.5 | Confident | 92.2 | Very high | 142 Ų | 142 | 57.1 Ų | 57.1 | 92% | 0.922 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91 | 84.6 | 0.8 | 35.7 | -32.6 | 0 | 0 | 0 | 112.3 | ||
| 190 | G | 85.8 | Confident | 92.1 | Very high | 21 Ų | 21 | 62.3 Ų | 62.3 | 22% | 0.216 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -128 | 162.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A187 W192 | A187-G190 CarbonylContact O-C 3.51Å; A187-G190 VanDerWaalsContact O-CA 3.25Å; A187-G190 WeakPolarHBondContact O-CA 3.4Å; A187-G190 PolarHBondContact O-N 2.87Å; G190-W192 VanDerWaalsContact C-N 3.32Å |
| 191 | N | 93.8 | Very high | 92.1 | Very high | 70 Ų | 70 | 64.5 Ų | 64.5 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -100.1 | 30.4 | 172.7 | 66.4 | -32.7 | 0 | 0 | 0 | 111.5 | F161 G162 F163 | F161-N191 VanDerWaalsContact CA-O 3.3Å; F161-N191 WeakPolarHBondContact CA-O 3.44Å; G162-N191 PolarHBondContact N-O 2.79Å; F163-N191 WeakPolarHBondContact O-CB 3.43Å |
| 192 | W | 94.8 | Very high | 92.1 | Very high | 109 Ų | 109 | 64.8 Ų | 64.8 | 41% | 0.413 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 154 | -179.6 | 62.3 | 81.6 | 0 | 0 | 0 | 112.8 | T159 V160 F161 A187 G190 H194 | T159-W192 HydrophobicContact CG2-CB 4.18Å; V160-W192 CarbonylContact O-C 3.48Å; V160-W192 WeakPolarHBondContact O-CA 3.39Å; V160-W192 WeakPolarHBondContact O-CB 3.33Å; F161-W192 HydrophobicContact CB-CB 3.64Å; A187-W192 HydrophobicContact CB-CD2 4.26Å; A187-W192 HydrophobicContact CB-CG 4.01Å; A187-W192 HydrophobicContact CB-CZ2 4.38Å; A187-W192 PolarHBondContact N-O 3.18Å; A187-W192 VanDerWaalsContact N-O 3.13Å; G190-W192 VanDerWaalsContact C-N 3.32Å; W192-H194 AromaticContact CD1-NE2 3.78Å; W192-H194 AromaticContact NE1-NE2 3.98Å |
| 193 | M | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 144.8 | 175.6 | 67.3 | 174.6 | 73.9 | 0 | 0 | 110.3 | T159 V160 F163 A168 I171 L172 T185 M186 L195 | T159-M193 WeakPolarHBondContact CA-O 3.4Å; V160-M193 HydrophobicContact CB-CG 3.92Å; V160-M193 PolarHBondContact N-O 2.95Å; V160-M193 PolarHBondContact O-N 3.47Å; F163-M193 HydrophobicContact CE1-CE 3.72Å; F163-M193 HydrophobicContact CE1-CG 3.97Å; F163-M193 HydrophobicContact CE2-CE 3.73Å; F163-M193 HydrophobicContact CZ-CB 4.04Å; F163-M193 HydrophobicContact CZ-CE 3.27Å; F163-M193 HydrophobicContact CZ-CG 3.87Å; F163-M193 HydrophobicContact CZ-SD 4.4Å; A168-M193 HydrophobicContact CB-CE 4.1Å; A168-M193 VanDerWaalsContact O-CE 3.28Å; A168-M193 WeakPolarHBondContact O-CE 3.43Å; I171-M193 HydrophobicContact CB-CE 4.45Å; L172-M193 HydrophobicContact CB-CE 4.31Å; L172-M193 HydrophobicContact CB-SD 4.18Å; L172-M193 HydrophobicContact CD1-SD 4.15Å; T185-M193 WeakPolarHBondContact O-CA 3.32Å; M186-M193 HydrophobicContact CE-CE 3.79Å; M186-M193 HydrophobicContact SD-CB 3.57Å; M186-M193 VanDerWaalsContact SD-CB 3.57Å; M186-M193 HydrophobicContact SD-CE 3.8Å; M186-M193 HydrophobicContact SD-SD 4.35Å; M193-L195 HydrophobicContact CG-CD2 4.17Å; M193-L195 HydrophobicContact CG-CG 4.27Å; M193-L195 HydrophobicContact SD-CD1 4.31Å; M193-L195 HydrophobicContact SD-CD2 3.76Å; M193-L195 HydrophobicContact SD-CG 4.23Å |
| 194 | H | 95.2 | Very high | 92.4 | Very high | 15 Ų | 15 | 64.8 Ų | 64.8 | 7% | 0.069 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.2 | 173.2 | -55 | -68.4 | 0 | 0 | 0 | 109.2 | W157 V158 T159 H184 T185 W192 V230 | W157-H194 HydrophobicContact CE3-CB 4.02Å; W157-H194 HydrophobicContact CZ3-CB 3.9Å; V158-H194 CarbonylContact O-C 3.53Å; V158-H194 WeakPolarHBondContact O-CA 3.29Å; T159-H194 PolarHBondContact OG1-CE1 3.02Å; T159-H194 PolarHBondContact OG1-ND1 3.47Å; H184-H194 CarbonylContact C-O 3.6Å; H184-H194 VanDerWaalsContact CA-O 3.25Å; H184-H194 WeakPolarHBondContact CA-O 3.48Å; T185-H194 PolarHBondContact N-O 2.8Å; T185-H194 PolarHBondContact O-N 2.79Å; W192-H194 AromaticContact CD1-NE2 3.78Å; W192-H194 AromaticContact NE1-NE2 3.98Å; H194-V230 HydrophobicContact CB-CG1 3.78Å |
| 195 | L | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 128.4 | -179.7 | -56 | -178.8 | 0 | 0 | 0 | 109.8 | W157 V158 V160 L172 F175 I181 H184 M193 Y197 | W157-L195 CarbonylContact C-O 3.55Å; W157-L195 WeakPolarHBondContact CA-O 3.32Å; V158-L195 HydrophobicContact CG2-CB 3.91Å; V158-L195 PolarHBondContact N-O 3.3Å; V158-L195 PolarHBondContact O-N 2.74Å; V160-L195 HydrophobicContact CG2-CD1 3.7Å; V160-L195 HydrophobicContact CG2-CG 4.25Å; L172-L195 HydrophobicContact CD1-CD2 3.45Å; L172-L195 VanDerWaalsContact CD1-CD2 3.45Å; F175-L195 HydrophobicContact CB-CD1 3.66Å; F175-L195 HydrophobicContact CD1-CD1 4.04Å; F175-L195 HydrophobicContact CG-CD1 4.01Å; I181-L195 HydrophobicContact CD1-CD1 4.18Å; I181-L195 HydrophobicContact CD1-CD2 4.39Å; I181-L195 HydrophobicContact CG2-CD2 4.41Å; H184-L195 HydrophobicContact CB-CD2 3.52Å; M193-L195 HydrophobicContact CG-CD2 4.17Å; M193-L195 HydrophobicContact CG-CG 4.27Å; M193-L195 HydrophobicContact SD-CD1 4.31Å; M193-L195 HydrophobicContact SD-CD2 3.76Å; M193-L195 HydrophobicContact SD-CG 4.23Å; L195-Y197 HydrophobicContact CB-CE2 4.4Å |
| 196 | Q | 95.4 | Very high | 92.7 | Very high | 20 Ų | 20 | 62.7 Ų | 62.7 | 9% | 0.093 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119.5 | 171 | -168.5 | 179.1 | 24.1 | 0 | 0 | 109.7 | W157 I181 L182 K183 | W157-Q196 HydrophobicContact CD2-CB 3.65Å; W157-Q196 HydrophobicContact CD2-CG 3.95Å; W157-Q196 HydrophobicContact CE3-CB 3.86Å; W157-Q196 HydrophobicContact CG-CB 4.29Å; W157-Q196 HydrophobicContact CG-CG 4.22Å; W157-Q196 HydrophobicContact CH2-CB 3.85Å; W157-Q196 HydrophobicContact CZ2-CB 3.64Å; W157-Q196 HydrophobicContact CZ2-CG 3.89Å; W157-Q196 HydrophobicContact CZ3-CB 3.94Å; I181-Q196 CarbonylContact C-O 3.57Å; I181-Q196 WeakPolarHBondContact CA-O 3.4Å; L182-Q196 HydrophobicContact CB-CG 4.46Å; L182-Q196 PolarHBondContact N-O 2.72Å; K183-Q196 HydrophobicContact CB-CB 3.92Å; K183-Q196 PolarHBondContact O-N 3.18Å |
| 197 | Y | 97.1 | Very high | 93 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 157 | 173 | -75.3 | -75.9 | 0 | 0 | 0 | 112.3 | T156 V158 F175 N180 I181 L195 S199 Q202 A203 A206 | T156-Y197 WeakPolarHBondContact CB-O 3.47Å; T156-Y197 PolarHBondContact O-N 3.46Å; V158-Y197 HydrophobicContact CG2-CD2 4.12Å; V158-Y197 HydrophobicContact CG2-CE2 3.64Å; F175-Y197 WeakPolarHBondContact CB-OH 3.33Å; F175-Y197 WeakPolarHBondContact CD1-OH 3.33Å; F175-Y197 PolarHBondContact O-OH 2.9Å; N180-Y197 WeakPolarHBondContact O-CA 3.42Å; I181-Y197 HydrophobicContact CD1-CE1 4.48Å; I181-Y197 HydrophobicContact CG1-CD1 4.18Å; I181-Y197 HydrophobicContact CG1-CE1 3.7Å; L195-Y197 HydrophobicContact CB-CE2 4.4Å; Y197-S199 VanDerWaalsContact C-N 3.29Å; Y197-S199 PolarHBondContact O-N 2.81Å; Y197-Q202 HydrophobicContact CD1-CB 3.82Å; Y197-Q202 HydrophobicContact CG-CB 3.97Å; Y197-A203 HydrophobicContact CD2-CB 4.02Å; Y197-A206 HydrophobicContact CE2-CB 3.53Å |
| 198 | Q | 95.1 | Very high | 93.6 | Very high | 118 Ų | 118 | 64.1 Ų | 64.1 | 55% | 0.551 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -66.8 | -30.9 | 174.9 | -173.4 | -179.7 | 29.5 | 0 | 0 | 112.9 | N180 L182 | N180-Q198 HydrophobicContact CB-CB 4.14Å; N180-Q198 PolarHBondContact ND2-OE1 2.84Å; N180-Q198 PolarHBondContact O-N 2.86Å; L182-Q198 HydrophobicContact CD1-CB 4.37Å; L182-Q198 HydrophobicContact CD2-CB 4.25Å; L182-Q198 HydrophobicContact CD2-CG 4.49Å; L182-Q198 HydrophobicContact CG-CB 4.23Å |
| 199 | S | 94.8 | Very high | 94.3 | Very high | 42 Ų | 42 | 61.2 Ų | 61.2 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -136.1 | 153.4 | -179.4 | 69.6 | 0 | 0 | 0 | 0 | 112.8 | Y197 L201 Q202 A203 | Y197-S199 VanDerWaalsContact C-N 3.29Å; Y197-S199 PolarHBondContact O-N 2.81Å; S199-L201 PolarHBondContact O-N 2.88Å; S199-Q202 WeakPolarHBondContact O-CB 2.91Å; S199-Q202 PolarHBondContact O-N 3.07Å; S199-Q202 VanDerWaalsContact OG-CG 3.25Å; S199-Q202 WeakPolarHBondContact OG-CG 3.48Å; S199-Q202 PolarHBondContact OG-N 3.21Å; S199-A203 PolarHBondContact O-N 3.36Å; S199-A203 VanDerWaalsContact O-N 3.16Å |
| 200 | R | 94.2 | Very high | 95.3 | Very high | 121 Ų | 121 | 57.7 Ų | 57.7 | 46% | 0.457 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.9 | -33.7 | 175.2 | -173.2 | 177.6 | -66.5 | -169 | -4.1 | 112.5 | Q155 A203 R204 | Q155-R200 HydrophobicContact CB-CG 3.9Å; Q155-R200 VanDerWaalsContact CB-NE 3.35Å; Q155-R200 VanDerWaalsContact CD-NH1 3.29Å; R200-A203 PolarHBondContact O-N 3.32Å; R200-R204 WeakPolarHBondContact O-CG 3.4Å; R200-R204 PolarHBondContact O-N 3.07Å |
| 201 | L | 96.1 | Very high | 95.7 | Very high | 128 Ų | 128 | 58.8 Ų | 58.8 | 67% | 0.67 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -67.1 | -38.7 | 178.4 | -167.9 | 69.5 | 0 | 0 | 0 | 111.7 | S199 R204 K205 | S199-L201 PolarHBondContact O-N 2.88Å; L201-R204 PolarHBondContact O-N 2.94Å; L201-K205 PolarHBondContact O-N 2.82Å |
| 202 | Q | 96.6 | Very high | 95.8 | Very high | 41 Ų | 41 | 59.3 Ų | 59.3 | 19% | 0.192 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 174.3 | -72.5 | 168.9 | -3.6 | 0 | 0 | 111.4 | N180 Y197 S199 R204 K205 A206 | N180-Q202 PolarHBondContact O-OE1 3.09Å; Y197-Q202 HydrophobicContact CD1-CB 3.82Å; Y197-Q202 HydrophobicContact CG-CB 3.97Å; S199-Q202 WeakPolarHBondContact O-CB 2.91Å; S199-Q202 PolarHBondContact O-N 3.07Å; S199-Q202 VanDerWaalsContact OG-CG 3.25Å; S199-Q202 WeakPolarHBondContact OG-CG 3.48Å; S199-Q202 PolarHBondContact OG-N 3.21Å; Q202-R204 VanDerWaalsContact C-N 3.34Å; Q202-R204 PolarHBondContact O-N 3.32Å; Q202-K205 WeakPolarHBondContact O-CB 3.33Å; Q202-K205 PolarHBondContact O-N 2.9Å; Q202-K205 VanDerWaalsContact O-N 3.12Å; Q202-A206 PolarHBondContact O-N 3.22Å |
| 203 | A | 96.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q155 V158 Y197 S199 R200 K205 A206 L207 | Q155-A203 VanDerWaalsContact O-CB 3.31Å; Q155-A203 WeakPolarHBondContact O-CB 3.44Å; V158-A203 HydrophobicContact CG1-CB 3.9Å; Y197-A203 HydrophobicContact CD2-CB 4.02Å; S199-A203 PolarHBondContact O-N 3.36Å; S199-A203 VanDerWaalsContact O-N 3.16Å; R200-A203 PolarHBondContact O-N 3.32Å; A203-K205 VanDerWaalsContact C-N 3.31Å; A203-K205 PolarHBondContact O-N 3.04Å; A203-A206 WeakPolarHBondContact O-CB 3.42Å; A203-A206 PolarHBondContact O-N 3.31Å; A203-A206 VanDerWaalsContact O-N 3.16Å; A203-L207 WeakPolarHBondContact O-CG 3.49Å; A203-L207 PolarHBondContact O-N 2.72Å |
| 204 | R | 95.9 | Very high | 95.7 | Very high | 168 Ų | 168 | 57.7 Ų | 57.7 | 63% | 0.634 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.5 | -37.8 | 173.9 | -73.5 | 178.9 | 65.4 | -171.6 | 0.1 | 113 | R200 L201 Q202 L207 S208 | R200-R204 WeakPolarHBondContact O-CG 3.4Å; R200-R204 PolarHBondContact O-N 3.07Å; L201-R204 PolarHBondContact O-N 2.94Å; Q202-R204 VanDerWaalsContact C-N 3.34Å; Q202-R204 PolarHBondContact O-N 3.32Å; R204-L207 PolarHBondContact O-N 3.4Å; R204-S208 PolarHBondContact O-N 3.03Å |
| 205 | K | 96.7 | Very high | 95.5 | Very high | 104 Ų | 104 | 59 Ų | 59 | 45% | 0.452 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 175.3 | -173.8 | 177.5 | 170.2 | -165.5 | 0 | 111.2 | Y178 L201 Q202 A203 S208 | Y178-K205 WeakPolarHBondContact O-CD 3.46Å; L201-K205 PolarHBondContact O-N 2.82Å; Q202-K205 WeakPolarHBondContact O-CB 3.33Å; Q202-K205 PolarHBondContact O-N 2.9Å; Q202-K205 VanDerWaalsContact O-N 3.12Å; A203-K205 VanDerWaalsContact C-N 3.31Å; A203-K205 PolarHBondContact O-N 3.04Å; K205-S208 WeakPolarHBondContact O-CB 3.48Å; K205-S208 PolarHBondContact O-N 3.35Å; K205-S208 PolarHBondContact O-OG 3.14Å |
| 206 | A | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64 | -43.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | V158 F175 Y197 Q202 A203 S208 K209 | V158-A206 HydrophobicContact CG2-CB 4.42Å; F175-A206 HydrophobicContact CD1-CB 3.91Å; F175-A206 HydrophobicContact CE1-CB 3.98Å; Y197-A206 HydrophobicContact CE2-CB 3.53Å; Q202-A206 PolarHBondContact O-N 3.22Å; A203-A206 WeakPolarHBondContact O-CB 3.42Å; A203-A206 PolarHBondContact O-N 3.31Å; A203-A206 VanDerWaalsContact O-N 3.16Å; A206-S208 PolarHBondContact O-N 3.47Å; A206-K209 WeakPolarHBondContact O-CB 3.43Å; A206-K209 PolarHBondContact O-N 3.32Å |
| 207 | L | 96.6 | Very high | 95.2 | Very high | 50 Ų | 50 | 70.7 Ų | 70.7 | 26% | 0.262 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.8 | -30.9 | 176.1 | -71.3 | 165.3 | 0 | 0 | 0 | 112.9 | V158 A203 R204 K209 D210 V222 K223 P224 | V158-L207 HydrophobicContact CG1-CD1 4.3Å; V158-L207 HydrophobicContact CG1-CD2 4.16Å; V158-L207 HydrophobicContact CG1-CG 3.92Å; A203-L207 WeakPolarHBondContact O-CG 3.49Å; A203-L207 PolarHBondContact O-N 2.72Å; R204-L207 PolarHBondContact O-N 3.4Å; L207-K209 PolarHBondContact O-N 3.27Å; L207-K209 VanDerWaalsContact O-N 3.08Å; L207-D210 WeakPolarHBondContact O-CB 3.25Å; L207-D210 PolarHBondContact O-N 3.33Å; L207-V222 HydrophobicContact CD2-CG1 3.95Å; L207-V222 HydrophobicContact CG-CG1 4.46Å; L207-K223 VanDerWaalsContact CD2-C 3.43Å; L207-P224 HydrophobicContact CD1-CG 4.35Å; L207-P224 HydrophobicContact CD2-CG 4.07Å |
| 208 | S | 96.9 | Very high | 95.1 | Very high | 79 Ų | 79 | 71.2 Ų | 71.2 | 55% | 0.552 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -6.9 | 173.8 | 79.7 | 0 | 0 | 0 | 0 | 114.3 | R204 K205 A206 | R204-S208 PolarHBondContact O-N 3.03Å; K205-S208 WeakPolarHBondContact O-CB 3.48Å; K205-S208 PolarHBondContact O-N 3.35Å; K205-S208 PolarHBondContact O-OG 3.14Å; A206-S208 PolarHBondContact O-N 3.47Å |
| 209 | K | 95.9 | Very high | 95.2 | Very high | 56 Ų | 56 | 71.4 Ų | 71.4 | 24% | 0.243 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 9.3 | 177.1 | -54.2 | -50.9 | -174.6 | -166.6 | 0 | 113.2 | Y178 A206 L207 G211 K212 | Y178-K209 HydrophobicContact CD2-CG 4.26Å; Y178-K209 HydrophobicContact CE1-CG 4.44Å; Y178-K209 HydrophobicContact CE2-CG 3.74Å; A206-K209 WeakPolarHBondContact O-CB 3.43Å; A206-K209 PolarHBondContact O-N 3.32Å; L207-K209 PolarHBondContact O-N 3.27Å; L207-K209 VanDerWaalsContact O-N 3.08Å; K209-G211 PolarHBondContact O-N 3.34Å; K209-K212 HydrophobicContact CB-CB 4.26Å; K209-K212 HydrophobicContact CD-CD 3.87Å; K209-K212 VanDerWaalsContact O-CB 3.23Å; K209-K212 WeakPolarHBondContact O-CB 3.38Å; K209-K212 PolarHBondContact O-N 3.08Å |
| 210 | D | 96.3 | Very high | 95.3 | Very high | 69 Ų | 69 | 69.4 Ų | 69.4 | 37% | 0.369 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 124.9 | 169.8 | -170 | -141 | 0 | 0 | 0 | 110.5 | L207 K212 G221 V222 K223 | L207-D210 WeakPolarHBondContact O-CB 3.25Å; L207-D210 PolarHBondContact O-N 3.33Å; D210-K212 VanDerWaalsContact C-N 3.32Å; D210-K212 PolarHBondContact O-N 3.23Å; D210-G221 WeakPolarHBondContact OD2-CA 3.43Å; D210-V222 HydrophobicContact CB-CB 4.37Å; D210-V222 PolarHBondContact OD2-N 3.38Å; D210-K223 WeakPolarHBondContact OD1-CE 3.39Å; D210-K223 IonicContact OD1-NZ 2.74Å; D210-K223 PolarHBondContact OD1-NZ 3.01Å; D210-K223 IonicContact OD2-NZ 3.8Å |
| 211 | G | 94.7 | Very high | 95.4 | Very high | 43 Ų | 43 | 64 Ų | 64 | 44% | 0.443 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 4.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | K209 V220 | K209-G211 PolarHBondContact O-N 3.34Å; G211-V220 WeakPolarHBondContact CA-O 3.3Å; G211-V220 PolarHBondContact N-O 3.03Å |
| 212 | K | 95.7 | Very high | 95.5 | Very high | 82 Ų | 82 | 58.1 Ų | 58.1 | 36% | 0.357 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 137.2 | 177.2 | -178.2 | 174.9 | 168.9 | -172.6 | 0 | 110.9 | Y178 K209 D210 F214 V220 | Y178-K212 PolarHBondContact OH-NZ 3.36Å; K209-K212 HydrophobicContact CB-CB 4.26Å; K209-K212 HydrophobicContact CD-CD 3.87Å; K209-K212 VanDerWaalsContact O-CB 3.23Å; K209-K212 WeakPolarHBondContact O-CB 3.38Å; K209-K212 PolarHBondContact O-N 3.08Å; D210-K212 VanDerWaalsContact C-N 3.32Å; D210-K212 PolarHBondContact O-N 3.23Å; K212-F214 HydrophobicContact CB-CE2 4Å; K212-F214 HydrophobicContact CB-CZ 4.45Å; K212-F214 HydrophobicContact CD-CE1 4.09Å; K212-F214 HydrophobicContact CD-CE2 4.06Å; K212-F214 HydrophobicContact CD-CZ 3.69Å; K212-F214 HydrophobicContact CG-CD2 4.38Å; K212-F214 HydrophobicContact CG-CE2 3.96Å; K212-F214 HydrophobicContact CG-CZ 4.12Å; K212-V220 PolarHBondContact O-N 3.19Å |
| 213 | V | 95.4 | Very high | 95.4 | Very high | 67 Ų | 67 | 60.4 Ų | 60.4 | 41% | 0.406 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 132.1 | 172 | -174.4 | 0 | 0 | 0 | 0 | 110.6 | I218 M219 | V213-I218 CarbonylContact C-O 3.59Å; V213-I218 VanDerWaalsContact CA-O 3.3Å; V213-I218 WeakPolarHBondContact CA-O 3.29Å; V213-M219 HydrophobicContact CG2-CB 4.1Å; V213-M219 HydrophobicContact CG2-CE 3.94Å; V213-M219 HydrophobicContact CG2-CG 4.23Å |
| 214 | F | 92.8 | Very high | 95.3 | Very high | 8 Ų | 8 | 64.1 Ų | 64.1 | 4% | 0.035 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 143.3 | 175.9 | -66 | -90.7 | 0 | 0 | 0 | 110.3 | Y170 I171 Q174 F175 Y178 K212 D216 S217 I218 V220 | Y170-F214 HydrophobicContact CE1-CB 4.07Å; I171-F214 HydrophobicContact CD1-CB 4.1Å; I171-F214 HydrophobicContact CD1-CD2 4.46Å; I171-F214 HydrophobicContact CD1-CG 4.37Å; Q174-F214 HydrophobicContact CB-CD1 4.15Å; Q174-F214 HydrophobicContact CB-CE1 3.95Å; Q174-F214 HydrophobicContact CG-CD1 3.92Å; Q174-F214 HydrophobicContact CG-CE1 4.2Å; F175-F214 HydrophobicContact CE2-CE2 4.14Å; F175-F214 HydrophobicContact CE2-CZ 4.17Å; Y178-F214 HydrophobicContact CE2-CZ 4.23Å; Y178-F214 VanDerWaalsContact OH-CE1 3.29Å; Y178-F214 WeakPolarHBondContact OH-CE1 3.31Å; Y178-F214 WeakPolarHBondContact OH-CZ 3.41Å; K212-F214 HydrophobicContact CB-CE2 4Å; K212-F214 HydrophobicContact CB-CZ 4.45Å; K212-F214 HydrophobicContact CD-CE1 4.09Å; K212-F214 HydrophobicContact CD-CE2 4.06Å; K212-F214 HydrophobicContact CD-CZ 3.69Å; K212-F214 HydrophobicContact CG-CD2 4.38Å; K212-F214 HydrophobicContact CG-CE2 3.96Å; K212-F214 HydrophobicContact CG-CZ 4.12Å; F214-D216 PolarHBondContact O-N 3.2Å; F214-D216 VanDerWaalsContact O-N 3.15Å; F214-S217 PolarHBondContact O-N 3.12Å; F214-I218 PolarHBondContact N-O 2.88Å; F214-I218 WeakPolarHBondContact O-CB 3.3Å; F214-I218 PolarHBondContact O-N 2.86Å; F214-V220 HydrophobicContact CD2-CB 4.03Å; F214-V220 HydrophobicContact CD2-CG2 3.69Å; F214-V220 HydrophobicContact CE2-CB 4.05Å; F214-V220 HydrophobicContact CE2-CG2 4.13Å |
| 215 | G | 90.2 | Very high | 95.1 | Very high | 42 Ų | 42 | 56.2 Ų | 56.2 | 43% | 0.433 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 30.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S217 | G215-S217 PolarHBondContact O-N 3.38Å; G215-S217 PolarHBondContact O-OG 2.86Å |
| 216 | D | 92.1 | Very high | 94.7 | Very high | 164 Ų | 164 | 54.3 Ų | 54.3 | 88% | 0.877 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 5.9 | -179.8 | -52.4 | -38.5 | 0 | 0 | 0 | 116.6 | F214 | F214-D216 PolarHBondContact O-N 3.2Å; F214-D216 VanDerWaalsContact O-N 3.15Å |
| 217 | S | 93.8 | Very high | 94.2 | Very high | 101 Ų | 101 | 56.6 Ų | 56.6 | 71% | 0.706 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.9 | -11.9 | -171 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | F214 G215 | F214-S217 PolarHBondContact O-N 3.12Å; G215-S217 PolarHBondContact O-N 3.38Å; G215-S217 PolarHBondContact O-OG 2.86Å |
| 218 | I | 94.9 | Very high | 93.5 | Very high | 13 Ų | 13 | 58.7 Ų | 58.7 | 7% | 0.067 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 102.9 | -174.5 | -51.6 | 173.4 | 0 | 0 | 0 | 109.6 | F163 P164 I171 V213 F214 V220 | F163-I218 HydrophobicContact CB-CG2 3.79Å; P164-I218 HydrophobicContact CG-CD1 4.32Å; I171-I218 HydrophobicContact CD1-CG2 4.24Å; V213-I218 CarbonylContact C-O 3.59Å; V213-I218 VanDerWaalsContact CA-O 3.3Å; V213-I218 WeakPolarHBondContact CA-O 3.29Å; F214-I218 PolarHBondContact N-O 2.88Å; F214-I218 WeakPolarHBondContact O-CB 3.3Å; F214-I218 PolarHBondContact O-N 2.86Å; I218-V220 HydrophobicContact CG2-CG2 3.91Å |
| 219 | M | 96.3 | Very high | 92.8 | Very high | 122 Ų | 122 | 59.2 Ų | 59.2 | 60% | 0.601 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 117.8 | 170.4 | -172.7 | 178.8 | -68.5 | 0 | 0 | 109.8 | G162 V213 | G162-M219 VanDerWaalsContact O-O 3.1Å; V213-M219 HydrophobicContact CG2-CB 4.1Å; V213-M219 HydrophobicContact CG2-CE 3.94Å; V213-M219 HydrophobicContact CG2-CG 4.23Å |
| 220 | V | 97 | Very high | 92.2 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 130.8 | -176.7 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | V160 F161 I171 F175 G211 K212 F214 I218 V222 | V160-V220 HydrophobicContact CG1-CG1 3.25Å; F161-V220 WeakPolarHBondContact O-CA 3.4Å; I171-V220 HydrophobicContact CD1-CG2 3.85Å; I171-V220 HydrophobicContact CG1-CG2 4.36Å; I171-V220 HydrophobicContact CG2-CG2 4.38Å; F175-V220 HydrophobicContact CE2-CG1 3.94Å; F175-V220 HydrophobicContact CZ-CG1 3.87Å; G211-V220 WeakPolarHBondContact CA-O 3.3Å; G211-V220 PolarHBondContact N-O 3.03Å; K212-V220 PolarHBondContact O-N 3.19Å; F214-V220 HydrophobicContact CD2-CB 4.03Å; F214-V220 HydrophobicContact CD2-CG2 3.69Å; F214-V220 HydrophobicContact CE2-CB 4.05Å; F214-V220 HydrophobicContact CE2-CG2 4.13Å; I218-V220 HydrophobicContact CG2-CG2 3.91Å; V220-V222 HydrophobicContact CG1-CG2 4.2Å |
| 221 | G | 96.8 | Very high | 91.4 | Very high | 8 Ų | 8 | 54.6 Ų | 54.6 | 8% | 0.082 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 144.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V160 F161 D210 | V160-G221 WeakPolarHBondContact CA-O 3.43Å; F161-G221 PolarHBondContact N-O 3.13Å; F161-G221 PolarHBondContact O-N 2.84Å; D210-G221 WeakPolarHBondContact OD2-CA 3.43Å |
| 222 | V | 97 | Very high | 89.9 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 121.4 | 176.7 | -164.3 | 0 | 0 | 0 | 0 | 109 | V158 T159 V160 F175 L207 D210 V220 | V158-V222 HydrophobicContact CB-CG1 4.14Å; V158-V222 HydrophobicContact CG2-CG1 4.38Å; T159-V222 WeakPolarHBondContact O-CA 3.39Å; V160-V222 HydrophobicContact CG2-CG1 4.3Å; F175-V222 HydrophobicContact CE1-CG1 4.17Å; F175-V222 HydrophobicContact CE1-CG2 3.6Å; F175-V222 HydrophobicContact CZ-CG2 3.44Å; F175-V222 VanDerWaalsContact CZ-CG2 3.44Å; L207-V222 HydrophobicContact CD2-CG1 3.95Å; L207-V222 HydrophobicContact CG-CG1 4.46Å; D210-V222 HydrophobicContact CB-CB 4.37Å; D210-V222 PolarHBondContact OD2-N 3.38Å; V220-V222 HydrophobicContact CG1-CG2 4.2Å |
| 223 | K | 95.9 | Very high | 88.1 | Confident | 90 Ų | 90 | 55.1 Ų | 55.1 | 39% | 0.391 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 155.3 | 177.4 | -63.4 | -70.7 | 159.5 | -168.5 | 0 | 110.3 | V158 T159 F161 L207 D210 | V158-K223 CarbonylContact C-O 3.51Å; V158-K223 WeakPolarHBondContact CA-O 3.14Å; T159-K223 PolarHBondContact N-O 3.38Å; T159-K223 PolarHBondContact O-N 3.21Å; F161-K223 HydrophobicContact CE1-CB 4.43Å; F161-K223 HydrophobicContact CE1-CG 3.72Å; F161-K223 HydrophobicContact CZ-CG 4.3Å; L207-K223 VanDerWaalsContact CD2-C 3.43Å; D210-K223 WeakPolarHBondContact OD1-CE 3.39Å; D210-K223 IonicContact OD1-NZ 2.74Å; D210-K223 PolarHBondContact OD1-NZ 3.01Å; D210-K223 IonicContact OD2-NZ 3.8Å |
| 224 | P | 93.7 | Very high | 86 | Confident | 78 Ų | 78 | 55 Ų | 55 | 51% | 0.506 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 141.7 | 169.4 | -22.3 | 34.4 | 0 | 0 | 0 | 109.8 | L207 I226 | L207-P224 HydrophobicContact CD1-CG 4.35Å; L207-P224 HydrophobicContact CD2-CG 4.07Å; P224-I226 PolarHBondContact O-N 3.27Å |
| 225 | C | 92 | Very high | 83.7 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.014 | 37% | 0.374 | C | S | . | . | trans | -71 | 131.8 | 176.7 | -168.4 | 0 | 0 | 0 | 0 | 110 | W157 | W157-C225 HydrophobicContact CB-CB 3.47Å; W157-C225 VanDerWaalsContact CB-CB 3.47Å; W157-C225 PolarHBondContact O-N 3.47Å | ||
| 226 | I | 88.8 | Confident | 81.6 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 32% | 0.323 | 39% | 0.39 | S | S | . | . | trans | -107.6 | -5.8 | 175.1 | 59.7 | 169.4 | 0 | 0 | 0 | 112.3 | Q143 L147 L153 P224 K228 | Q143-I226 HydrophobicContact CB-CD1 3.87Å; L147-I226 HydrophobicContact CD1-CB 3.86Å; L147-I226 HydrophobicContact CD1-CG2 4.06Å; L153-I226 HydrophobicContact CD1-CG2 4.29Å; P224-I226 PolarHBondContact O-N 3.27Å; I226-K228 PolarHBondContact O-N 3.47Å | ||
| 227 | D | 85.1 | Confident | 79.3 | Confident | 48 Ų | 48 | 62.7 Ų | 62.7 | 26% | 0.257 | 38% | 0.383 | S | S | . | . | trans | -83.5 | 99.2 | -174.8 | -168.5 | -21.5 | 0 | 0 | 0 | 111.6 | S229 V230 M231 | D227-S229 PolarHBondContact O-N 3.32Å; D227-S229 WeakPolarHBondContact OD1-CB 3.41Å; D227-S229 PolarHBondContact OD1-N 2.85Å; D227-S229 PolarHBondContact OD1-OG 3.32Å; D227-V230 HydrophobicContact CB-CB 4.24Å; D227-V230 HydrophobicContact CB-CG2 4.04Å; D227-V230 PolarHBondContact O-N 3.22Å; D227-V230 PolarHBondContact OD1-N 3.26Å; D227-V230 WeakPolarHBondContact OD2-CG2 3.28Å; D227-M231 WeakPolarHBondContact O-CE 3.23Å; D227-M231 WeakPolarHBondContact O-CG 3.31Å; D227-M231 PolarHBondContact O-N 2.82Å | ||
| 228 | K | 83.3 | Confident | 76.8 | Confident | 94 Ų | 94 | 62.5 Ų | 62.5 | 41% | 0.409 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.2 | -32.4 | 177.9 | -68.7 | 175.5 | 164.5 | 178.3 | 0 | 113.1 | L147 D151 I226 V230 M231 G232 | L147-K228 HydrophobicContact CD2-CD 4.15Å; D151-K228 VanDerWaalsContact CG-CE 3.49Å; D151-K228 WeakPolarHBondContact OD1-CE 2.9Å; D151-K228 IonicContact OD1-NZ 3.18Å; D151-K228 PolarHBondContact OD1-NZ 3.32Å; D151-K228 WeakPolarHBondContact OD2-CE 3.5Å; D151-K228 IonicContact OD2-NZ 2.72Å; D151-K228 PolarHBondContact OD2-NZ 3.49Å; I226-K228 PolarHBondContact O-N 3.47Å; K228-V230 VanDerWaalsContact C-N 3.3Å; K228-V230 PolarHBondContact O-N 3.43Å; K228-M231 HydrophobicContact CG-CE 4.4Å; K228-M231 PolarHBondContact O-N 3.41Å; K228-G232 PolarHBondContact O-N 2.91Å |
| 229 | S | 82.3 | Confident | 74.4 | Confident | 90 Ų | 90 | 66.8 Ų | 66.8 | 63% | 0.629 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -68.5 | -34.7 | -178 | 74 | 0 | 0 | 0 | 0 | 111.5 | D227 | D227-S229 PolarHBondContact O-N 3.32Å; D227-S229 WeakPolarHBondContact OD1-CB 3.41Å; D227-S229 PolarHBondContact OD1-N 2.85Å; D227-S229 PolarHBondContact OD1-OG 3.32Å |
| 230 | V | 81.6 | Confident | 71.9 | Confident | 17 Ų | 17 | 66.6 Ų | 66.6 | 10% | 0.103 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -74.5 | -39.7 | 176.9 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | W157 H194 D227 K228 | W157-V230 HydrophobicContact CE3-CG1 3.88Å; W157-V230 HydrophobicContact CH2-CG1 3.52Å; W157-V230 HydrophobicContact CZ2-CG1 4.28Å; W157-V230 WeakPolarHBondContact CZ2-O 3.39Å; W157-V230 HydrophobicContact CZ3-CG1 3.31Å; H194-V230 HydrophobicContact CB-CG1 3.78Å; D227-V230 HydrophobicContact CB-CB 4.24Å; D227-V230 HydrophobicContact CB-CG2 4.04Å; D227-V230 PolarHBondContact O-N 3.22Å; D227-V230 PolarHBondContact OD1-N 3.26Å; D227-V230 WeakPolarHBondContact OD2-CG2 3.28Å; K228-V230 VanDerWaalsContact C-N 3.3Å; K228-V230 PolarHBondContact O-N 3.43Å |
| 231 | M | 80.3 | Confident | 69.2 | Low | 12 Ų | 12 | 74.3 Ų | 74.3 | 6% | 0.059 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -70.4 | -44.8 | 178.6 | -66.6 | -174.8 | -76 | 0 | 0 | 112.7 | L153 D154 W157 D227 K228 S233 S234 | L153-M231 HydrophobicContact CB-CE 4.21Å; L153-M231 HydrophobicContact CB-SD 4.34Å; L153-M231 HydrophobicContact CD2-CE 3.68Å; L153-M231 HydrophobicContact CG-CE 4.42Å; D154-M231 HydrophobicContact CB-CG 4.32Å; D154-M231 HydrophobicContact CB-SD 3.77Å; W157-M231 HydrophobicContact CB-CG 4.19Å; W157-M231 HydrophobicContact CB-SD 4.27Å; W157-M231 HydrophobicContact CD2-CG 4.17Å; W157-M231 HydrophobicContact CG-CG 3.78Å; W157-M231 HydrophobicContact CG-SD 4.4Å; D227-M231 WeakPolarHBondContact O-CE 3.23Å; D227-M231 WeakPolarHBondContact O-CG 3.31Å; D227-M231 PolarHBondContact O-N 2.82Å; K228-M231 HydrophobicContact CG-CE 4.4Å; K228-M231 PolarHBondContact O-N 3.41Å; M231-S233 PolarHBondContact O-N 3.38Å; M231-S234 PolarHBondContact O-N 3.12Å |
| 232 | G | 63.6 | Low | 66.4 | Low | 63 Ų | 63 | 79 Ų | 79 | 65% | 0.649 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -4.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | K228 S234 | K228-G232 PolarHBondContact O-N 2.91Å; G232-S234 PolarHBondContact O-N 2.91Å |
| 233 | S | 57.9 | Low | 63.7 | Low | 72 Ų | 72 | 85.2 Ų | 85.2 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -10.8 | 173.2 | 177.3 | 0 | 0 | 0 | 0 | 113.1 | K183 M231 E235 | K183-S233 PolarHBondContact NZ-OG 2.9Å; M231-S233 PolarHBondContact O-N 3.38Å; S233-E235 PolarHBondContact O-N 3.26Å |
| 234 | S | 50.6 | Low | 60.9 | Low | 66 Ų | 66 | 86.2 Ų | 86.2 | 46% | 0.462 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -90.5 | 79.1 | 173.2 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | M231 G232 | M231-S234 PolarHBondContact O-N 3.12Å; G232-S234 PolarHBondContact O-N 2.91Å |
| 235 | E | 45.4 | Very low | 58.4 | Low | 162 Ų | 162 | 87.8 Ų | 87.8 | 76% | 0.757 | 56% | 0.559 | S | S | * | * | trans | 33.9 | 101.1 | 157.8 | -143.5 | 160.9 | 124.8 | 0 | 0 | 116 | S233 V237 | S233-E235 PolarHBondContact O-N 3.26Å; E235-V237 PolarHBondContact O-N 3.24Å | ||
| 236 | A | 44.8 | Very low | 55.8 | Low | 94 Ų | 94 | 93.6 Ų | 93.6 | 78% | 0.777 | 60% | 0.599 | S | S | * | * | trans | -56.2 | 86 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | S238 | A236-S238 PolarHBondContact O-N 2.98Š| ||
| 237 | V | 45.5 | Very low | 53.3 | Low | 119 Ų | 119 | 95 Ų | 95 | 72% | 0.721 | 62% | 0.621 | S | S | * | * | trans | -72.9 | 91.9 | 154.5 | -174.9 | 0 | 0 | 0 | 0 | 104.5 | E235 | E235-V237 PolarHBondContact O-N 3.24Š| ||
| 238 | S | 39.9 | Very low | 51.3 | Low | 96 Ų | 96 | 100.9 Ų | 100.9 | 67% | 0.671 | 65% | 0.651 | S | S | * | * | trans | -41 | 121.2 | 170.9 | -43.8 | 0 | 0 | 0 | 0 | 109.4 | A236 | A236-S238 PolarHBondContact O-N 2.98Š| ||
| 239 | P | 45.4 | Very low | 49.7 | Very low | 104 Ų | 104 | 102.2 Ų | 102.2 | 68% | 0.675 | 67% | 0.669 | S | S | * | * | trans | -61.7 | 136.1 | 162.6 | 25.6 | -30.3 | 0 | 0 | 0 | 107.4 | L241 | P239-L241 PolarHBondContact O-N 2.84Š| ||
| 240 | P | 43.7 | Very low | 47.4 | Very low | 118 Ų | 118 | 103.4 Ų | 103.4 | 77% | 0.766 | 68% | 0.678 | S | S | * | * | trans | -60.6 | 116.6 | 172.6 | 25.2 | -31.1 | 0 | 0 | 0 | 107.4 | S242 | P240-S242 PolarHBondContact O-N 2.93Š| ||
| 241 | L | 40.4 | Very low | 45.5 | Very low | 161 Ų | 161 | 108.7 Ų | 108.7 | 84% | 0.843 | 71% | 0.71 | S | S | * | * | trans | -52.3 | 109.9 | 173.2 | -68.4 | 171.7 | 0 | 0 | 0 | 108 | P239 V243 | P239-L241 PolarHBondContact O-N 2.84Å; L241-V243 VanDerWaalsContact C-N 3.35Å; L241-V243 PolarHBondContact O-N 2.99Å | ||
| 242 | S | 38.3 | Very low | 44.1 | Very low | 108 Ų | 108 | 113.3 Ų | 113.3 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -68.3 | 96.6 | 168.3 | -61.3 | 0 | 0 | 0 | 0 | 106.7 | P240 S244 | P240-S242 PolarHBondContact O-N 2.93Å; S242-S244 VanDerWaalsContact C-N 3.29Å; S242-S244 PolarHBondContact O-N 3.4Å | ||
| 243 | V | 39.3 | Very low | 43 | Very low | 133 Ų | 133 | 121.6 Ų | 121.6 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | trans | -63.9 | 95.7 | 168.3 | 168.6 | 0 | 0 | 0 | 0 | 107.2 | L241 | L241-V243 VanDerWaalsContact C-N 3.35Å; L241-V243 PolarHBondContact O-N 2.99Å | ||
| 244 | S | 37.8 | Very low | 42.1 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -82.2 | 127.6 | 166.9 | -65.2 | 0 | 0 | 0 | 0 | 108.8 | S242 | S242-S244 VanDerWaalsContact C-N 3.29Å; S242-S244 PolarHBondContact O-N 3.4Å | ||
| 245 | S | 40.9 | Very low | 41.8 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -71.2 | 141.7 | -168.7 | -32.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 246 | S | 36 | Very low | 41.6 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -148 | 119.8 | 144.1 | 66.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 247 | A | 38.2 | Very low | 42.1 | Very low | 94 Ų | 94 | 130.3 Ų | 130.3 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | 13.1 | 114.5 | 161 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 248 | L | 43 | Very low | 42.1 | Very low | 170 Ų | 170 | 129.4 Ų | 129.4 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | 18.8 | 163.2 | 119.6 | -56.3 | 174.8 | 0 | 0 | 0 | 120.6 | |||||
| 249 | P | 49.1 | Very low | 42.5 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | cis | -142.6 | 162.6 | 15.1 | 38.1 | -17.6 | 0 | 0 | 0 | 117 | ||||
| 250 | S | 33.5 | Very low | 42.8 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | 177.1 | 144 | 127.7 | -164.4 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 251 | T | 42.7 | Very low | 42.7 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -88.6 | -160.4 | -156.3 | 50.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 252 | P | 51 | Low | 42.8 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | -125.9 | 156.5 | -80.4 | 37.9 | -21.3 | 0 | 0 | 0 | 112.2 | |||||
| 253 | R | 40.1 | Very low | 42.9 | Very low | 236 Ų | 236 | 133.4 Ų | 133.4 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -178.4 | 132.7 | 140.8 | -114.2 | -178.9 | 167.8 | 120.9 | -3 | 112.3 | ||||
| 254 | S | 39.1 | Very low | 43.4 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | 41 | 140.8 | 138.7 | -61.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 255 | A | 42.8 | Very low | 43.2 | Very low | 73 Ų | 73 | 136.6 Ų | 136.6 | 60% | 0.603 | 79% | 0.787 | S | S | * | * | cis | 176.6 | 163.3 | -4 | 0 | 0 | 0 | 0 | 0 | 103.1 | ||||
| 256 | I | 42.6 | Very low | 43 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | 80.2 | 107 | 155.1 | -53.4 | 145.3 | 0 | 0 | 0 | 116.6 | ||||
| 257 | R | 54.6 | Low | 43.3 | Very low | 238 Ų | 238 | 135 Ų | 135 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | -72.3 | 147.4 | 145.8 | -85.7 | -177.9 | 173.7 | -177.5 | -1.5 | 108.5 | ||||
| 258 | P | 45.6 | Very low | 43.4 | Very low | 101 Ų | 101 | 136 Ų | 136 | 66% | 0.656 | 79% | 0.789 | S | S | * | * | -150.3 | 143.5 | 91.8 | 29.9 | -7.2 | 0 | 0 | 0 | 115.8 | |||||
| 259 | L | 48.6 | Very low | 43.2 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | 74 | 121.9 | 111.7 | -57.1 | 177 | 0 | 0 | 0 | 116.9 | |||||
| 260 | S | 51.7 | Low | 42.7 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | 34.2 | 105.9 | 148.4 | 57.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 261 | A | 41.8 | Very low | 42.8 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 146.5 | 120.2 | 134.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 262 | S | 41.7 | Very low | 42.7 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | 177.9 | 74.6 | 144.3 | -77.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 263 | Y | 40 | Very low | 42.3 | Very low | 185 Ų | 185 | 142 Ų | 142 | 73% | 0.725 | 78% | 0.783 | S | S | * | * | 66.1 | 109.8 | 87.5 | -161 | -102.5 | 0 | 0 | 0 | 113.3 | |||||
| 264 | R | 50.8 | Low | 42.5 | Very low | 194 Ų | 194 | 137.1 Ų | 137.1 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | 51.2 | 115.5 | 152.6 | -66.7 | -163.6 | -165.4 | -136.6 | 11.9 | 119 | ||||
| 265 | S | 32.9 | Very low | 42.7 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | -164.6 | 130.2 | 105.1 | -88.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 266 | S | 36.6 | Very low | 42.6 | Very low | 130 Ų | 130 | 145.1 Ų | 145.1 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | 70.9 | 113.2 | 149.5 | -62 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 267 | G | 42.6 | Very low | 42.9 | Very low | 73 Ų | 73 | 145.5 Ų | 145.5 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | 173.3 | 61.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 268 | S | 41.3 | Very low | 42.2 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 44.4 | 113.3 | 157 | 62.7 | 0 | 0 | 0 | 0 | 121.5 | Y270 | S268-Y270 PolarHBondContact O-N 3.32Š| ||
| 269 | D | 39 | Very low | 41.9 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -31.6 | 112 | 147.2 | -96.1 | -88.4 | 0 | 0 | 0 | 114.5 | ||||
| 270 | Y | 38.6 | Very low | 42.2 | Very low | 230 Ų | 230 | 143.8 Ų | 143.8 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -154.9 | 87.4 | 131.5 | -76.7 | -68.1 | 0 | 0 | 0 | 107.8 | S268 | S268-Y270 PolarHBondContact O-N 3.32Š| ||
| 271 | Q | 35.5 | Very low | 42.2 | Very low | 159 Ų | 159 | 146.9 Ų | 146.9 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | -74.1 | 116.1 | 169.1 | 178.8 | -175.7 | 18.3 | 0 | 0 | 109.3 | V273 | Q271-V273 HydrophobicContact CG-CG2 3.62Å; Q271-V273 VanDerWaalsContact NE2-CG2 3.34Å | ||
| 272 | V | 39.7 | Very low | 42.9 | Very low | 147 Ų | 147 | 148.4 Ų | 148.4 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | trans | -125.2 | 104.7 | 150.3 | -177.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 273 | V | 43.3 | Very low | 43.9 | Very low | 92 Ų | 92 | 148.7 Ų | 148.7 | 56% | 0.558 | 77% | 0.773 | S | S | * | * | trans | -76.4 | 150.9 | 175.5 | -173.3 | 0 | 0 | 0 | 0 | 109.3 | Q271 | Q271-V273 HydrophobicContact CG-CG2 3.62Å; Q271-V273 VanDerWaalsContact NE2-CG2 3.34Å | ||
| 274 | T | 44.3 | Very low | 45 | Very low | 134 Ų | 134 | 143 Ų | 143 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | 110.8 | 98.6 | 152.7 | 60 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 275 | D | 42.2 | Very low | 45.8 | Very low | 151 Ų | 151 | 143 Ų | 143 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | -173.8 | 97.9 | 117 | -156.3 | 44.9 | 0 | 0 | 0 | 109.6 | |||||
| 276 | R | 41.7 | Very low | 47.3 | Very low | 199 Ų | 199 | 142.4 Ų | 142.4 | 75% | 0.751 | 76% | 0.757 | S | S | * | * | 32.8 | 119.3 | 109.1 | -72.5 | -174.5 | 84.6 | 124.8 | -2.1 | 116.2 | |||||
| 277 | Q | 47.6 | Very low | 48.8 | Very low | 164 Ų | 164 | 139 Ų | 139 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | trans | 54.6 | 83.8 | 145.5 | -62.3 | -177.4 | -79.4 | 0 | 0 | 117.1 | ||||
| 278 | T | 39.9 | Very low | 50 | Low | 113 Ų | 113 | 141.4 Ų | 141.4 | 69% | 0.693 | 72% | 0.723 | S | S | * | * | trans | -117.4 | 127.7 | 149.6 | 48.3 | 0 | 0 | 0 | 0 | 108.8 | R280 | T278-R280 PolarHBondContact O-N 3.48Š| ||
| 279 | P | 40.6 | Very low | 51.6 | Low | 135 Ų | 135 | 138.5 Ų | 138.5 | 88% | 0.877 | 71% | 0.706 | S | S | * | * | trans | -62.8 | 110.1 | 173.6 | -14.5 | 27.6 | 0 | 0 | 0 | 108.1 | ||||
| 280 | R | 54.2 | Low | 53.3 | Low | 211 Ų | 211 | 136.8 Ų | 136.8 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | trans | -80.5 | 127.4 | 168.7 | -78.3 | -167.1 | 168.2 | 153.6 | -0.8 | 107.9 | T278 D282 | T278-R280 PolarHBondContact O-N 3.48Å; R280-D282 PolarHBondContact O-N 2.84Å; R280-D282 VanDerWaalsContact O-N 3.12Å | ||
| 281 | K | 51.6 | Low | 54.8 | Low | 179 Ų | 179 | 131.1 Ų | 131.1 | 78% | 0.778 | 68% | 0.676 | S | S | * | * | trans | -70.7 | 102.6 | 172.4 | -173.9 | 176.6 | 174 | 177.1 | 0 | 107 | D283 | K281-D283 PolarHBondContact O-N 2.61Š| ||
| 282 | D | 56.5 | Low | 56.4 | Low | 126 Ų | 126 | 132.9 Ų | 132.9 | 67% | 0.674 | 68% | 0.677 | S | S | * | * | trans | -74.2 | 104.7 | 173.5 | -67.5 | -55.8 | 0 | 0 | 0 | 108.9 | R280 S284 S287 | R280-D282 PolarHBondContact O-N 2.84Å; R280-D282 VanDerWaalsContact O-N 3.12Å; D282-S284 PolarHBondContact O-N 3.46Å; D282-S287 PolarHBondContact O-OG 2.88Å | ||
| 283 | D | 61.9 | Low | 57.8 | Low | 127 Ų | 127 | 132.8 Ų | 132.8 | 68% | 0.679 | 67% | 0.669 | S | S | * | * | trans | -76.4 | 52.7 | 173.1 | -116 | -72.9 | 0 | 0 | 0 | 110.7 | K281 | K281-D283 PolarHBondContact O-N 2.61Š| ||
| 284 | S | 64.2 | Low | 59.2 | Low | 66 Ų | 66 | 134.9 Ų | 134.9 | 46% | 0.462 | 67% | 0.671 | S | S | . | * | trans | -76.8 | 146.1 | 174.3 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | D282 V286 S287 K288 | D282-S284 PolarHBondContact O-N 3.46Å; S284-V286 PolarHBondContact O-N 3.06Å; S284-S287 WeakPolarHBondContact O-CA 3.23Å; S284-S287 VanDerWaalsContact O-CB 3.26Å; S284-S287 WeakPolarHBondContact O-CB 3.5Å; S284-S287 PolarHBondContact O-N 3.31Å; S284-K288 PolarHBondContact O-N 3.45Å | ||
| 285 | F | 66.7 | Low | 60 | Low | 194 Ų | 194 | 131.6 Ų | 131.6 | 85% | 0.851 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -49.9 | -29.6 | 179.8 | -107.4 | -92 | 0 | 0 | 0 | 113.5 | A289 | F285-A289 PolarHBondContact O-N 3.11Å; F285-A289 VanDerWaalsContact O-N 3.14Å |
| 286 | V | 65.9 | Low | 60.5 | Low | 103 Ų | 103 | 138.5 Ų | 138.5 | 62% | 0.624 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -71.4 | -36.1 | 175.8 | 177.4 | 0 | 0 | 0 | 0 | 112.1 | S284 K288 A289 M290 | S284-V286 PolarHBondContact O-N 3.06Å; V286-K288 VanDerWaalsContact C-N 3.33Å; V286-K288 PolarHBondContact O-N 2.97Å; V286-A289 PolarHBondContact O-N 3.23Å; V286-M290 VanDerWaalsContact O-CG 3.31Å; V286-M290 WeakPolarHBondContact O-CG 2.97Å; V286-M290 PolarHBondContact O-N 3.46Å |
| 287 | S | 67.3 | Low | 61.5 | Low | 58 Ų | 58 | 135.5 Ų | 135.5 | 41% | 0.406 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -61.4 | -41.9 | 174 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | D282 S284 M290 E291 | D282-S287 PolarHBondContact O-OG 2.88Å; S284-S287 WeakPolarHBondContact O-CA 3.23Å; S284-S287 VanDerWaalsContact O-CB 3.26Å; S284-S287 WeakPolarHBondContact O-CB 3.5Å; S284-S287 PolarHBondContact O-N 3.31Å; S287-M290 PolarHBondContact O-N 2.97Å; S287-E291 PolarHBondContact O-N 3.29Å |
| 288 | K | 68.3 | Low | 62.2 | Low | 125 Ų | 125 | 133.9 Ų | 133.9 | 54% | 0.543 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -70 | -31.4 | 177.2 | -165 | 163.8 | -173.3 | 167.8 | 0 | 113.1 | S284 V286 Y292 | S284-K288 PolarHBondContact O-N 3.45Å; V286-K288 VanDerWaalsContact C-N 3.33Å; V286-K288 PolarHBondContact O-N 2.97Å; K288-Y292 PolarHBondContact O-N 3.37Å |
| 289 | A | 73.8 | Confident | 63.4 | Low | 52 Ų | 52 | 135.1 Ų | 135.1 | 43% | 0.43 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -70.6 | -38.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | F285 V286 E291 Y292 M293 | F285-A289 PolarHBondContact O-N 3.11Å; F285-A289 VanDerWaalsContact O-N 3.14Å; V286-A289 PolarHBondContact O-N 3.23Å; A289-E291 VanDerWaalsContact C-N 3.34Å; A289-Y292 PolarHBondContact O-N 3.21Å; A289-M293 WeakPolarHBondContact O-CG 3.25Å; A289-M293 PolarHBondContact O-N 3.34Å; A289-M293 VanDerWaalsContact O-N 3.12Å |
| 290 | M | 74.5 | Confident | 64.8 | Low | 108 Ų | 108 | 135.1 Ų | 135.1 | 53% | 0.532 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -65.6 | -36.7 | 174.6 | -70.1 | -75.5 | -85.1 | 0 | 0 | 111.9 | V286 S287 Y292 M293 F294 | V286-M290 VanDerWaalsContact O-CG 3.31Å; V286-M290 WeakPolarHBondContact O-CG 2.97Å; V286-M290 PolarHBondContact O-N 3.46Å; S287-M290 PolarHBondContact O-N 2.97Å; M290-Y292 VanDerWaalsContact C-N 3.35Å; M290-Y292 PolarHBondContact O-N 3.05Å; M290-M293 PolarHBondContact O-N 3.47Å; M290-F294 HydrophobicContact CE-CD2 4.41Å; M290-F294 HydrophobicContact CE-CE2 4.12Å; M290-F294 WeakPolarHBondContact O-CD2 3.35Å; M290-F294 PolarHBondContact O-N 3.33Å; M290-F294 HydrophobicContact SD-CD2 4.12Å; M290-F294 HydrophobicContact SD-CE2 3.73Å |
| 291 | E | 71 | Confident | 65.5 | Low | 111 Ų | 111 | 130.4 Ų | 130.4 | 52% | 0.519 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -61 | -42.4 | 173.7 | -169.2 | -179.6 | 155.1 | 0 | 0 | 111.8 | S287 A289 M293 G295 | S287-E291 PolarHBondContact O-N 3.29Å; A289-E291 VanDerWaalsContact C-N 3.34Å; E291-M293 PolarHBondContact O-N 3.21Å; E291-G295 PolarHBondContact O-N 3.25Å |
| 292 | Y | 68.9 | Low | 66.4 | Low | 196 Ų | 196 | 127.1 Ų | 127.1 | 77% | 0.769 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.8 | -28.6 | 178.3 | -101.2 | -89.7 | 0 | 0 | 0 | 114.3 | K288 A289 M290 | K288-Y292 PolarHBondContact O-N 3.37Å; A289-Y292 PolarHBondContact O-N 3.21Å; M290-Y292 VanDerWaalsContact C-N 3.35Å; M290-Y292 PolarHBondContact O-N 3.05Å |
| 293 | M | 68.5 | Low | 67.1 | Low | 144 Ų | 144 | 127.2 Ų | 127.2 | 71% | 0.709 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -84.5 | -29.8 | 179.8 | -72.6 | -173.2 | 64.2 | 0 | 0 | 113.3 | A289 M290 E291 | A289-M293 WeakPolarHBondContact O-CG 3.25Å; A289-M293 PolarHBondContact O-N 3.34Å; A289-M293 VanDerWaalsContact O-N 3.12Å; M290-M293 PolarHBondContact O-N 3.47Å; E291-M293 PolarHBondContact O-N 3.21Å |
| 294 | F | 72.7 | Confident | 67.5 | Low | 136 Ų | 136 | 127.2 Ų | 127.2 | 60% | 0.596 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -117.6 | -3.8 | -171.7 | -62.2 | -74.3 | 0 | 0 | 0 | 114.8 | M290 | M290-F294 HydrophobicContact CE-CD2 4.41Å; M290-F294 HydrophobicContact CE-CE2 4.12Å; M290-F294 WeakPolarHBondContact O-CD2 3.35Å; M290-F294 PolarHBondContact O-N 3.33Å; M290-F294 HydrophobicContact SD-CD2 4.12Å; M290-F294 HydrophobicContact SD-CE2 3.73Å |
| 295 | G | 62.3 | Low | 67.8 | Low | 66 Ų | 66 | 132.3 Ų | 132.3 | 68% | 0.68 | 65% | 0.648 | S | S | * | * | trans | 53.1 | 64.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | E291 | E291-G295 PolarHBondContact O-N 3.25Š| ||
| 296 | W | 53.2 | Low | 67.8 | Low | 295 Ų | 295 | 126.7 Ų | 126.7 | 100% | 1.117 | 63% | 0.63 | S | S | * | * | trans | -122 | 0 | 168.8 | -85.7 | 79.3 | 0 | 0 | 0 | 110.9 |
Retrieved 296 of 296 residues in 391.8 ms
(Link to these results)