| 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 | 43.2 | Very low | 49.6 | Very low | 245 Ų | 245 | 146.3 Ų | 146.3 | 100% | 1.207 | 84% | 0.844 | S | S | * | * | 0 | 142.1 | 0 | -69.3 | 161.9 | 72.9 | 0 | 0 | 107.8 | |||||
| 2 | S | 43.5 | Very low | 50.1 | Low | 122 Ų | 122 | 143.5 Ų | 143.5 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | trans | -81.8 | 157.7 | -165.5 | -159.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 3 | S | 49.1 | Very low | 50.1 | Low | 113 Ų | 113 | 142.8 Ų | 142.8 | 79% | 0.79 | 83% | 0.833 | S | S | * | * | trans | -71.2 | 153.1 | -175.6 | 55.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 4 | G | 42.8 | Very low | 50.3 | Low | 79 Ų | 79 | 142.4 Ų | 142.4 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -156.6 | 47.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S6 | G4-S6 PolarHBondContact O-N 2.75Š| ||
| 5 | G | 48.1 | Very low | 50.7 | Low | 77 Ų | 77 | 142.1 Ų | 142.1 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | -73.2 | 110.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R7 | G5-R7 PolarHBondContact O-N 3.1Š| ||
| 6 | S | 55.6 | Low | 50.8 | Low | 109 Ų | 109 | 145.8 Ų | 145.8 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -74 | 92.1 | -179.2 | -166 | 0 | 0 | 0 | 0 | 111.9 | G4 F8 | G4-S6 PolarHBondContact O-N 2.75Å; S6-F8 PolarHBondContact O-N 3.29Å | ||
| 7 | R | 59.2 | Low | 50.7 | Low | 229 Ų | 229 | 143.8 Ų | 143.8 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -85.9 | 96.8 | 178.6 | -172.7 | 173.9 | -179.5 | 170.3 | -0.4 | 110.1 | G5 K9 | G5-R7 PolarHBondContact O-N 3.1Å; R7-K9 PolarHBondContact O-N 3.25Å; R7-K9 VanDerWaalsContact O-N 3.09Å | ||
| 8 | F | 47.2 | Very low | 51.1 | Low | 193 Ų | 193 | 142.3 Ų | 142.3 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -52.2 | 115.9 | 170 | -88.7 | -98.7 | 0 | 0 | 0 | 110.1 | S6 | S6-F8 PolarHBondContact O-N 3.29Š| ||
| 9 | K | 55.9 | Low | 51.1 | Low | 189 Ų | 189 | 146.5 Ų | 146.5 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -85.7 | 110.4 | 170.4 | -72.6 | -173 | 176.7 | -177.7 | 0 | 108.3 | R7 V11 | R7-K9 PolarHBondContact O-N 3.25Å; R7-K9 VanDerWaalsContact O-N 3.09Å; K9-V11 PolarHBondContact O-N 3.36Å | ||
| 10 | V | 52.3 | Low | 51.2 | Low | 138 Ų | 138 | 147.8 Ų | 147.8 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -67.9 | 115.1 | 166.1 | -178.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 11 | V | 48.9 | Very low | 51.2 | Low | 115 Ų | 115 | 145 Ų | 145 | 70% | 0.697 | 80% | 0.795 | S | S | * | * | trans | -80.1 | 130.3 | 172.8 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | K9 V13 | K9-V11 PolarHBondContact O-N 3.36Å; V11-V13 PolarHBondContact O-N 3.14Å | ||
| 12 | P | 55.7 | Low | 51.7 | Low | 113 Ų | 113 | 138.3 Ų | 138.3 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | -62.5 | 130 | 173.2 | -18.3 | 31.1 | 0 | 0 | 0 | 109.8 | E14 | P12-E14 PolarHBondContact O-N 3.47Å; P12-E14 VanDerWaalsContact O-N 3.16Å | ||
| 13 | V | 50.2 | Low | 52 | Low | 134 Ų | 134 | 138.9 Ų | 138.9 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -70.9 | 108.2 | 167.5 | 174.4 | 0 | 0 | 0 | 0 | 107.2 | V11 T15 | V11-V13 PolarHBondContact O-N 3.14Å; V13-T15 PolarHBondContact O-N 3.29Å | ||
| 14 | E | 52.1 | Low | 52.4 | Low | 137 Ų | 137 | 137.4 Ų | 137.4 | 64% | 0.64 | 77% | 0.765 | S | S | * | * | trans | -60.6 | 108.7 | 168.7 | -90.3 | -171.6 | 163.9 | 0 | 0 | 108.9 | P12 R16 | P12-E14 PolarHBondContact O-N 3.47Å; P12-E14 VanDerWaalsContact O-N 3.16Å; E14-R16 HydrophobicContact CB-CG 4.1Å; E14-R16 PolarHBondContact O-N 3.3Å; E14-R16 IonicContact OE2-CZ 3.45Å; E14-R16 IonicContact OE2-NE 2.94Å; E14-R16 PolarHBondContact OE2-NE 2.99Å; E14-R16 IonicContact OE2-NH2 3.02Å; E14-R16 PolarHBondContact OE2-NH2 3.02Å | ||
| 15 | T | 56.1 | Low | 52.9 | Low | 138 Ų | 138 | 142.2 Ų | 142.2 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | trans | -67.5 | 85.1 | 165.2 | -44.2 | 0 | 0 | 0 | 0 | 108.3 | V13 D17 | V13-T15 PolarHBondContact O-N 3.29Å; T15-D17 PolarHBondContact O-N 3.48Å | ||
| 16 | R | 53.3 | Low | 52.9 | Low | 201 Ų | 201 | 147.1 Ų | 147.1 | 76% | 0.758 | 77% | 0.766 | S | S | * | * | trans | -72 | 91.6 | -180 | -74 | -166.5 | 168.9 | -156.1 | -8.1 | 110.7 | E14 | E14-R16 HydrophobicContact CB-CG 4.1Å; E14-R16 PolarHBondContact O-N 3.3Å; E14-R16 IonicContact OE2-CZ 3.45Å; E14-R16 IonicContact OE2-NE 2.94Å; E14-R16 PolarHBondContact OE2-NE 2.99Å; E14-R16 IonicContact OE2-NH2 3.02Å; E14-R16 PolarHBondContact OE2-NH2 3.02Å | ||
| 17 | D | 49.5 | Very low | 52.4 | Low | 113 Ų | 113 | 147.1 Ų | 147.1 | 60% | 0.604 | 77% | 0.772 | S | S | * | * | trans | -59.6 | 119.4 | 168.7 | -149.1 | -12.5 | 0 | 0 | 0 | 108.8 | T15 Y19 F20 | T15-D17 PolarHBondContact O-N 3.48Å; D17-Y19 PolarHBondContact O-N 3.06Å; D17-F20 PolarHBondContact O-N 3.2Å; D17-F20 VanDerWaalsContact O-N 3.16Å | ||
| 18 | P | 56.4 | Low | 51.7 | Low | 116 Ų | 116 | 144 Ų | 144 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 4.4 | -167.9 | 25.4 | -35 | 0 | 0 | 0 | 115.1 | ||
| 19 | Y | 51.3 | Low | 51.8 | Low | 222 Ų | 222 | 139 Ų | 139 | 87% | 0.871 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | -0.8 | 179.1 | -73.5 | -79.2 | 0 | 0 | 0 | 114.8 | D17 | D17-Y19 PolarHBondContact O-N 3.06Š|
| 20 | F | 53.3 | Low | 51.6 | Low | 173 Ų | 173 | 139.2 Ų | 139.2 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -107.5 | 115.4 | 179.3 | -162.6 | -98.6 | 0 | 0 | 0 | 112.4 | D17 | D17-F20 PolarHBondContact O-N 3.2Å; D17-F20 VanDerWaalsContact O-N 3.16Å | ||
| 21 | S | 50.5 | Low | 51.1 | Low | 90 Ų | 90 | 138.9 Ų | 138.9 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | trans | -105.9 | 127.4 | 174.3 | -170.2 | 0 | 0 | 0 | 0 | 110 | N23 | S21-N23 VanDerWaalsContact C-N 3.28Å; S21-N23 PolarHBondContact O-N 3.12Å | ||
| 22 | P | 54.9 | Low | 51.1 | Low | 103 Ų | 103 | 139.5 Ų | 139.5 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -71.1 | -20.3 | -171.2 | -16.7 | 29.8 | 0 | 0 | 0 | 114.5 | ||
| 23 | N | 49.8 | Very low | 50.5 | Low | 134 Ų | 134 | 138.4 Ų | 138.4 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -105.9 | 98.1 | -173.1 | -67.9 | -12.6 | 0 | 0 | 0 | 109.4 | S21 K25 | S21-N23 VanDerWaalsContact C-N 3.28Å; S21-N23 PolarHBondContact O-N 3.12Å; N23-K25 VanDerWaalsContact C-N 3.28Å; N23-K25 PolarHBondContact O-N 2.98Å |
| 24 | G | 56.3 | Low | 50 | Low | 82 Ų | 82 | 136.2 Ų | 136.2 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | -68.9 | 67.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 25 | K | 53.9 | Low | 49.8 | Very low | 180 Ų | 180 | 137.1 Ų | 137.1 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -135.9 | 139 | 163.6 | -63.2 | -168.4 | 178.7 | -173.8 | 0 | 108.9 | N23 | N23-K25 VanDerWaalsContact C-N 3.28Å; N23-K25 PolarHBondContact O-N 2.98Å | ||
| 26 | H | 48.5 | Very low | 49.1 | Very low | 180 Ų | 180 | 139.6 Ų | 139.6 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | 76.3 | 81.9 | -168 | -46.4 | -69.7 | 0 | 0 | 0 | 115.1 | I28 | H26-I28 PolarHBondContact O-N 3.37Š| ||
| 27 | A | 45 | Very low | 48.5 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | trans | -74.4 | 111.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 28 | I | 44.9 | Very low | 48.2 | Very low | 163 Ų | 163 | 139.7 Ų | 139.7 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 119.5 | 167.4 | -61.4 | 175.1 | 0 | 0 | 0 | 107.3 | H26 | H26-I28 PolarHBondContact O-N 3.37Š|
| 29 | A | 48.9 | Very low | 47.7 | Very low | 90 Ų | 90 | 142.1 Ų | 142.1 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 138.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 30 | K | 51.6 | Low | 47.7 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 142.6 | 169 | -67.3 | -179.3 | 177.8 | -179.2 | 0 | 109.6 | T32 | K30-T32 PolarHBondContact O-N 3Š|
| 31 | P | 42.3 | Very low | 47 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | trans | -68.4 | 98.5 | 170.4 | 28.1 | -32.8 | 0 | 0 | 0 | 109.8 | A33 | P31-A33 PolarHBondContact O-N 3.05Š| ||
| 32 | T | 47.8 | Very low | 46.3 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -64.8 | 115 | 165.1 | -81.1 | 0 | 0 | 0 | 0 | 108.5 | K30 A34 | K30-T32 PolarHBondContact O-N 3Å; T32-A34 PolarHBondContact O-N 3.08Å; T32-A34 VanDerWaalsContact O-N 3.1Å | ||
| 33 | A | 43.5 | Very low | 45.5 | Very low | 91 Ų | 91 | 136 Ų | 136 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -68.4 | 105.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | P31 I35 | P31-A33 PolarHBondContact O-N 3.05Å; A33-I35 PolarHBondContact O-N 3.35Å; A33-I35 VanDerWaalsContact O-N 3.11Å | ||
| 34 | A | 40.7 | Very low | 45.2 | Very low | 88 Ų | 88 | 135.3 Ų | 135.3 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -69.2 | 106.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | T32 K36 | T32-A34 PolarHBondContact O-N 3.08Å; T32-A34 VanDerWaalsContact O-N 3.1Å; A34-K36 PolarHBondContact O-N 2.79Å; A34-K36 VanDerWaalsContact O-N 3.11Å | ||
| 35 | I | 46.8 | Very low | 44.3 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 80% | 0.795 | 81% | 0.805 | S | S | * | * | trans | -67.3 | 107.7 | 167.3 | -61.7 | 175.1 | 0 | 0 | 0 | 107.2 | A33 N37 | A33-I35 PolarHBondContact O-N 3.35Å; A33-I35 VanDerWaalsContact O-N 3.11Å; I35-N37 PolarHBondContact O-N 3.09Å; I35-N37 VanDerWaalsContact O-N 3.14Å | ||
| 36 | K | 42.5 | Very low | 43.6 | Very low | 190 Ų | 190 | 135.1 Ų | 135.1 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | trans | -68.4 | 108.5 | 169.8 | -82.4 | -176.2 | 173.4 | -179.9 | 0 | 108.9 | A34 I38 | A34-K36 PolarHBondContact O-N 2.79Å; A34-K36 VanDerWaalsContact O-N 3.11Å; K36-I38 PolarHBondContact O-N 2.89Å; K36-I38 VanDerWaalsContact O-N 3.16Å | ||
| 37 | N | 39.3 | Very low | 43.1 | Very low | 152 Ų | 152 | 133.3 Ų | 133.3 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | -55.7 | 115.8 | 164.5 | -84.1 | -35 | 0 | 0 | 0 | 109.5 | I35 | I35-N37 PolarHBondContact O-N 3.09Å; I35-N37 VanDerWaalsContact O-N 3.14Å | ||
| 38 | I | 43.2 | Very low | 42.9 | Very low | 164 Ų | 164 | 136.5 Ų | 136.5 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | -88.5 | 113.6 | 166.4 | -61.1 | 176.8 | 0 | 0 | 0 | 106.7 | K36 | K36-I38 PolarHBondContact O-N 2.89Å; K36-I38 VanDerWaalsContact O-N 3.16Å | ||
| 39 | H | 46.1 | Very low | 43.3 | Very low | 167 Ų | 167 | 134 Ų | 134 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -71.6 | 145.1 | 178.4 | -124.5 | -102.1 | 0 | 0 | 0 | 111 | ||||
| 40 | P | 51.8 | Low | 42.7 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -79.5 | 129 | 172.2 | 31.6 | -32.4 | 0 | 0 | 0 | 110.6 | ||||
| 41 | S | 38.2 | Very low | 42 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -162 | 104.8 | 171.6 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 42 | S | 36.9 | Very low | 41.7 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | 174.8 | 100.4 | 130.3 | 58.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 43 | S | 38.7 | Very low | 41.3 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | 62.7 | 135.7 | 144.4 | -52.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 44 | P | 43 | Very low | 41.8 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -90.2 | 150 | 169.7 | 36.9 | -32.9 | 0 | 0 | 0 | 112.3 | ||||
| 45 | S | 37.6 | Very low | 41.5 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | trans | -121.2 | 120.2 | 162.7 | -82 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 46 | V | 38.8 | Very low | 41.1 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | -83.2 | 126.7 | 175.7 | 171.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 47 | V | 38.2 | Very low | 41.3 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -140 | 137.7 | 152.8 | -172.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 48 | Q | 39.9 | Very low | 41.1 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -95.2 | 179.1 | -174.9 | -106.9 | -164.6 | -15 | 0 | 0 | 112.5 | ||||
| 49 | P | 53.8 | Low | 40.9 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | trans | -105.9 | 164 | -144.6 | 40.8 | -37.5 | 0 | 0 | 0 | 115.9 | ||||
| 50 | T | 36.9 | Very low | 40.7 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | trans | -138.3 | 113 | 161.7 | 45.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 51 | S | 37.1 | Very low | 40.2 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | 24.2 | 128.9 | 143.7 | 58.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 52 | G | 34.1 | Very low | 40.7 | Very low | 68 Ų | 68 | 132.8 Ų | 132.8 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | 129.9 | 94.9 | 115.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 53 | I | 40 | Very low | 40.9 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | 74.8 | 147.9 | 141.2 | -64.7 | 178.7 | 0 | 0 | 0 | 118.3 | ||||
| 54 | P | 53.8 | Low | 41.1 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -120.8 | -162.3 | -154 | 40.1 | -23.3 | 0 | 0 | 0 | 115.4 | ||||
| 55 | V | 34.7 | Very low | 41.4 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | trans | 92.2 | 112 | 168.8 | -169.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 56 | Q | 39 | Very low | 41.9 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | -179.5 | 115.9 | 109.8 | -175.5 | 61.1 | 45.9 | 0 | 0 | 110.9 | |||||
| 57 | Q | 45.5 | Very low | 42.1 | Very low | 179 Ų | 179 | 136.5 Ų | 136.5 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -78.8 | 131.8 | 172.3 | -153.1 | 170.9 | 14.9 | 0 | 0 | 109.3 | ||||
| 58 | R | 35.8 | Very low | 42.6 | Very low | 220 Ų | 220 | 135 Ų | 135 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | trans | -142.4 | 117 | 169.8 | -169 | -171.8 | -62.8 | -161.8 | 2.6 | 109.4 | A60 | R58-A60 PolarHBondContact O-N 3.36Š| ||
| 59 | P | 39.8 | Very low | 43 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | trans | -75.1 | 108.3 | 174.9 | 29.6 | -31.4 | 0 | 0 | 0 | 109.4 | S61 | P59-S61 PolarHBondContact O-N 3.25Š| ||
| 60 | A | 41.4 | Very low | 42.8 | Very low | 70 Ų | 70 | 135.1 Ų | 135.1 | 58% | 0.579 | 77% | 0.772 | S | S | * | * | trans | -77 | 104.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | R58 H62 | R58-A60 PolarHBondContact O-N 3.36Å; A60-H62 PolarHBondContact O-N 2.9Å; A60-H62 PolarHBondContact O-ND1 3.28Å | ||
| 61 | S | 42 | Very low | 43.2 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | -65 | 97.5 | 171.1 | 36.2 | 0 | 0 | 0 | 0 | 110.3 | P59 L63 | P59-S61 PolarHBondContact O-N 3.25Å; S61-L63 PolarHBondContact O-N 3.31Å | ||
| 62 | H | 47.1 | Very low | 43.3 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -76.1 | 93.8 | 176.3 | -73.6 | 58.1 | 0 | 0 | 0 | 109.6 | A60 I64 | A60-H62 PolarHBondContact O-N 2.9Å; A60-H62 PolarHBondContact O-ND1 3.28Å; H62-I64 PolarHBondContact O-N 3.31Å; H62-I64 VanDerWaalsContact O-N 3.14Å | ||
| 63 | L | 41.6 | Very low | 44.3 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | trans | -66.6 | 106.1 | 166.3 | -76.6 | 164.6 | 0 | 0 | 0 | 108.8 | S61 A65 | S61-L63 PolarHBondContact O-N 3.31Å; L63-A65 PolarHBondContact O-N 2.83Å; L63-A65 VanDerWaalsContact O-N 3.11Å | ||
| 64 | I | 42.3 | Very low | 44.4 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | trans | -71.8 | 104 | 175.2 | -63.6 | 167.3 | 0 | 0 | 0 | 107.9 | H62 | H62-I64 PolarHBondContact O-N 3.31Å; H62-I64 VanDerWaalsContact O-N 3.14Å | ||
| 65 | A | 49.9 | Very low | 43.7 | Very low | 82 Ų | 82 | 139.3 Ų | 139.3 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 134.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | L63 N67 | L63-A65 PolarHBondContact O-N 2.83Å; L63-A65 VanDerWaalsContact O-N 3.11Å; A65-N67 PolarHBondContact O-N 3.45Å |
| 66 | P | 47.6 | Very low | 44.3 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 126.9 | 177.2 | 26.8 | -32.9 | 0 | 0 | 0 | 110.5 | ||
| 67 | N | 43.5 | Very low | 44.7 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -58 | 124.3 | 179.5 | -171.8 | 25 | 0 | 0 | 0 | 111 | A65 K69 | A65-N67 PolarHBondContact O-N 3.45Å; N67-K69 PolarHBondContact O-N 3.48Å |
| 68 | P | 49.7 | Very low | 44.7 | Very low | 111 Ų | 111 | 137 Ų | 137 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 133.7 | 178.6 | 25.5 | -33.8 | 0 | 0 | 0 | 111.1 | ||
| 69 | K | 47.4 | Very low | 45.3 | Very low | 189 Ų | 189 | 132.7 Ų | 132.7 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 140.8 | 179.1 | -63.9 | 179.7 | -179.5 | 178.9 | 0 | 110.4 | N67 V71 | N67-K69 PolarHBondContact O-N 3.48Å; K69-V71 PolarHBondContact O-N 3.45Å |
| 70 | P | 48.7 | Very low | 45.9 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 124.8 | 175.9 | 26.8 | -33.6 | 0 | 0 | 0 | 110.5 | Y72 | P70-Y72 HydrophobicContact CB-CE2 4.33Å; P70-Y72 HydrophobicContact CG-CE2 4.04Å; P70-Y72 PolarHBondContact O-N 2.93Å |
| 71 | V | 45.8 | Very low | 46.5 | Very low | 128 Ų | 128 | 134 Ų | 134 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -85.4 | 108 | 173.8 | 178.4 | 0 | 0 | 0 | 0 | 108 | K69 T73 | K69-V71 PolarHBondContact O-N 3.45Å; V71-T73 HydrophobicContact CG1-CG2 4.42Å; V71-T73 PolarHBondContact O-N 2.89Å | ||
| 72 | Y | 40.3 | Very low | 46.5 | Very low | 202 Ų | 202 | 136.8 Ų | 136.8 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | trans | -77.5 | 103.5 | 172.6 | -69.3 | -89.6 | 0 | 0 | 0 | 109.8 | P70 | P70-Y72 HydrophobicContact CB-CE2 4.33Å; P70-Y72 HydrophobicContact CG-CE2 4.04Å; P70-Y72 PolarHBondContact O-N 2.93Å | ||
| 73 | T | 54.1 | Low | 46.3 | Very low | 124 Ų | 124 | 135 Ų | 135 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | trans | -81.7 | 115.9 | 168.8 | 43.8 | 0 | 0 | 0 | 0 | 109.6 | V71 P75 | V71-T73 HydrophobicContact CG1-CG2 4.42Å; V71-T73 PolarHBondContact O-N 2.89Å; T73-P75 WeakPolarHBondContact O-CD 3.27Å | ||
| 74 | V | 41.9 | Very low | 46.6 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | -69.9 | 126.9 | 174.6 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | K76 | V74-K76 PolarHBondContact O-N 3.24Š| ||
| 75 | P | 40.6 | Very low | 46.8 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | trans | -59.4 | 120.9 | 173 | -24.1 | 34.8 | 0 | 0 | 0 | 110.6 | T73 V77 | T73-P75 WeakPolarHBondContact O-CD 3.27Å; P75-V77 PolarHBondContact O-N 3.17Å | ||
| 76 | K | 45.5 | Very low | 46.7 | Very low | 208 Ų | 208 | 131.4 Ų | 131.4 | 90% | 0.904 | 76% | 0.755 | S | S | * | * | trans | -73.2 | 92.9 | 177.5 | -173.8 | 173.9 | -178.8 | 176.7 | 0 | 109.4 | V74 A78 | V74-K76 PolarHBondContact O-N 3.24Å; K76-A78 PolarHBondContact O-N 3.28Å | ||
| 77 | V | 48.8 | Very low | 46.9 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 129.8 | 175.6 | -163.8 | 0 | 0 | 0 | 0 | 109.1 | P75 | P75-V77 PolarHBondContact O-N 3.17Š|
| 78 | A | 45.5 | Very low | 47.2 | Very low | 78 Ų | 78 | 127.8 Ų | 127.8 | 65% | 0.645 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 143 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | K76 T80 | K76-A78 PolarHBondContact O-N 3.28Å; A78-T80 PolarHBondContact O-N 3.02Å |
| 79 | P | 47.2 | Very low | 47.1 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 84% | 0.844 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 120.6 | -179.1 | 26 | -33.3 | 0 | 0 | 0 | 111.2 | ||
| 80 | T | 54 | Low | 47.1 | Very low | 132 Ų | 132 | 125.7 Ų | 125.7 | 81% | 0.81 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -62 | 152.7 | 174.7 | -41 | 0 | 0 | 0 | 0 | 111.1 | A78 Q82 | A78-T80 PolarHBondContact O-N 3.02Å; T80-Q82 PolarHBondContact O-N 3.15Å |
| 81 | A | 53.3 | Low | 46.9 | Very low | 89 Ų | 89 | 127.2 Ų | 127.2 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 130 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | V83 | A81-V83 PolarHBondContact O-N 2.92Š|
| 82 | Q | 42.6 | Very low | 47.5 | Very low | 170 Ų | 170 | 124.2 Ų | 124.2 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | trans | -74.3 | 108.5 | 173.1 | -70.3 | -168.3 | -20.5 | 0 | 0 | 111 | T80 K84 | T80-Q82 PolarHBondContact O-N 3.15Å; Q82-K84 PolarHBondContact O-N 3.16Å | ||
| 83 | V | 43 | Very low | 48 | Very low | 126 Ų | 126 | 121.8 Ų | 121.8 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | trans | -75.8 | 99.9 | 169.3 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | A81 A85 | A81-V83 PolarHBondContact O-N 2.92Å; V83-A85 PolarHBondContact O-N 3.06Å | ||
| 84 | K | 47.1 | Very low | 47.8 | Very low | 172 Ų | 172 | 123 Ų | 123 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | trans | -85.4 | 97.9 | 169.1 | -78.3 | -172.5 | 175.6 | -178.6 | 0 | 110.1 | Q82 | Q82-K84 PolarHBondContact O-N 3.16Š| ||
| 85 | A | 46.7 | Very low | 48.3 | Very low | 78 Ų | 78 | 120.1 Ų | 120.1 | 65% | 0.645 | 71% | 0.714 | S | S | * | * | trans | -83.8 | 117.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | V83 | V83-A85 PolarHBondContact O-N 3.06Š| ||
| 86 | S | 48.3 | Very low | 48.7 | Very low | 84 Ų | 84 | 122.3 Ų | 122.3 | 59% | 0.587 | 72% | 0.715 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.4 | 117.7 | 174.3 | -68.7 | 0 | 0 | 0 | 0 | 109.8 | ||
| 87 | T | 50.7 | Low | 48.8 | Very low | 92 Ų | 92 | 117.3 Ų | 117.3 | 56% | 0.564 | 70% | 0.701 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.8 | 116.9 | 173.8 | -58.9 | 0 | 0 | 0 | 0 | 108.9 | I89 V99 | T87-I89 HydrophobicContact CG2-CG1 4.27Å; T87-V99 HydrophobicContact CG2-CG1 4.31Å |
| 88 | I | 50.7 | Low | 48.6 | Very low | 105 Ų | 105 | 118.4 Ų | 118.4 | 54% | 0.538 | 70% | 0.696 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.2 | 116.1 | 176.7 | -63.5 | 175.2 | 0 | 0 | 0 | 108.5 | Q90 | I88-Q90 HydrophobicContact CG2-CG 4.01Å |
| 89 | I | 48 | Very low | 48.6 | Very low | 122 Ų | 122 | 119 Ų | 119 | 63% | 0.626 | 69% | 0.691 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.5 | 108.5 | 173.2 | -55.8 | 176.9 | 0 | 0 | 0 | 107.5 | T87 V97 | T87-I89 HydrophobicContact CG2-CG1 4.27Å; I89-V97 HydrophobicContact CG2-CG1 4.31Å |
| 90 | Q | 45.5 | Very low | 48.7 | Very low | 134 Ų | 134 | 116.1 Ų | 116.1 | 63% | 0.626 | 67% | 0.674 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.2 | 170.9 | -77 | 173 | 30.8 | 0 | 0 | 109.6 | I88 T92 | I88-Q90 HydrophobicContact CG2-CG 4.01Å; Q90-T92 PolarHBondContact O-N 2.8Å |
| 91 | P | 44.9 | Very low | 48.3 | Very low | 129 Ų | 129 | 114.1 Ų | 114.1 | 84% | 0.838 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -70 | 124.7 | 173.7 | 28.5 | -32.3 | 0 | 0 | 0 | 109.6 | ||
| 92 | T | 58.3 | Low | 48 | Very low | 66 Ų | 66 | 116.8 Ų | 116.8 | 41% | 0.405 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -99.5 | 142.8 | 169.9 | 78 | 0 | 0 | 0 | 0 | 110 | Q90 N94 G95 Q96 | Q90-T92 PolarHBondContact O-N 2.8Å; T92-N94 PolarHBondContact O-N 3.18Å; T92-G95 PolarHBondContact O-N 3.06Å; T92-Q96 PolarHBondContact OG1-O 3.42Å |
| 93 | V | 51.6 | Low | 48.1 | Very low | 150 Ų | 150 | 113.2 Ų | 113.2 | 91% | 0.909 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -4.1 | -170.7 | -139.2 | 0 | 0 | 0 | 0 | 114 | ||
| 94 | N | 49.4 | Very low | 48.3 | Very low | 150 Ų | 150 | 115.2 Ų | 115.2 | 80% | 0.802 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 20 | -175.7 | -64.4 | 7.1 | 0 | 0 | 0 | 113.1 | T92 Q96 | T92-N94 PolarHBondContact O-N 3.18Å; N94-Q96 VanDerWaalsContact C-N 3.3Å; N94-Q96 PolarHBondContact O-N 2.92Å |
| 95 | G | 53.6 | Low | 48.1 | Very low | 71 Ų | 71 | 113.5 Ų | 113.5 | 73% | 0.732 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 75.9 | 3.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | T92 | T92-G95 PolarHBondContact O-N 3.06Š|
| 96 | Q | 49.3 | Very low | 47.9 | Very low | 156 Ų | 156 | 116 Ų | 116 | 73% | 0.729 | 66% | 0.664 | S | S | * | * | trans | -91.1 | 109.2 | 170.9 | -75.5 | -168.8 | -12.2 | 0 | 0 | 110.9 | T92 N94 K98 | T92-Q96 PolarHBondContact OG1-O 3.42Å; N94-Q96 VanDerWaalsContact C-N 3.3Å; N94-Q96 PolarHBondContact O-N 2.92Å; Q96-K98 PolarHBondContact O-N 2.99Å; Q96-K98 VanDerWaalsContact O-N 3.14Å | ||
| 97 | V | 46.7 | Very low | 47.7 | Very low | 102 Ų | 102 | 117 Ų | 117 | 62% | 0.618 | 67% | 0.667 | S | S | * | * | trans | -75.9 | 99.9 | 171.1 | -174.4 | 0 | 0 | 0 | 0 | 108.8 | I89 V99 | I89-V97 HydrophobicContact CG2-CG1 4.31Å; V97-V99 HydrophobicContact CG1-CG2 3.85Å; V97-V99 PolarHBondContact O-N 3.47Å | ||
| 98 | K | 45.3 | Very low | 47.4 | Very low | 151 Ų | 151 | 116.6 Ų | 116.6 | 66% | 0.657 | 68% | 0.681 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.7 | 95.4 | 173.5 | -171.8 | -177.3 | 177.2 | -172.7 | 0 | 109.4 | Q96 | Q96-K98 PolarHBondContact O-N 2.99Å; Q96-K98 VanDerWaalsContact O-N 3.14Å |
| 99 | V | 45.2 | Very low | 46.8 | Very low | 89 Ų | 89 | 117.1 Ų | 117.1 | 54% | 0.539 | 69% | 0.689 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.2 | 114.5 | 173.4 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | T87 V97 | T87-V99 HydrophobicContact CG2-CG1 4.31Å; V97-V99 HydrophobicContact CG1-CG2 3.85Å; V97-V99 PolarHBondContact O-N 3.47Å |
| 100 | S | 49.3 | Very low | 46.4 | Very low | 70 Ų | 70 | 120.5 Ų | 120.5 | 49% | 0.49 | 70% | 0.704 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.1 | 118.6 | 167.1 | -66.1 | 0 | 0 | 0 | 0 | 108.9 | ||
| 101 | S | 45.8 | Very low | 45.9 | Very low | 91 Ų | 91 | 120.2 Ų | 120.2 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.5 | 119.2 | 170.1 | 57.6 | 0 | 0 | 0 | 0 | 109 | ||
| 102 | E | 45.6 | Very low | 45.7 | Very low | 144 Ų | 144 | 119 Ų | 119 | 67% | 0.673 | 71% | 0.712 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.4 | 119.8 | -179.8 | -161.1 | 171 | -134.5 | 0 | 0 | 109.3 | Q104 | E102-Q104 HydrophobicContact CG-CG 4.48Å |
| 103 | T | 45.9 | Very low | 44.6 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 59% | 0.589 | 74% | 0.736 | S | S | * | * | trans | -111.3 | 95.8 | 179.6 | -55.9 | 0 | 0 | 0 | 0 | 108.3 | I105 | T103-I105 HydrophobicContact CG2-CG1 4.23Å; T103-I105 PolarHBondContact O-N 3.19Å | ||
| 104 | Q | 46.3 | Very low | 44.1 | Very low | 167 Ų | 167 | 122.4 Ų | 122.4 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | trans | -81.2 | 112.5 | 176.1 | -65.1 | -161.1 | 9.3 | 0 | 0 | 110.5 | E102 | E102-Q104 HydrophobicContact CG-CG 4.48Š| ||
| 105 | I | 43.2 | Very low | 43.7 | Very low | 136 Ų | 136 | 123.1 Ų | 123.1 | 70% | 0.697 | 73% | 0.733 | S | S | * | * | trans | -103.1 | 104.5 | 173.6 | -34.4 | 175.6 | 0 | 0 | 0 | 107.2 | T103 T107 | T103-I105 HydrophobicContact CG2-CG1 4.23Å; T103-I105 PolarHBondContact O-N 3.19Å; I105-T107 VanDerWaalsContact C-N 3.33Å; I105-T107 HydrophobicContact CG2-CG2 3.99Å; I105-T107 PolarHBondContact O-N 3.14Å | ||
| 106 | S | 42.8 | Very low | 43.1 | Very low | 130 Ų | 130 | 128.4 Ų | 128.4 | 91% | 0.909 | 74% | 0.739 | S | S | * | * | trans | -81.9 | 80.2 | 177.3 | -167 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 107 | T | 43.8 | Very low | 42.5 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | trans | -95.3 | 101.5 | 171.5 | 48 | 0 | 0 | 0 | 0 | 110.3 | I105 V109 | I105-T107 VanDerWaalsContact C-N 3.33Å; I105-T107 HydrophobicContact CG2-CG2 3.99Å; I105-T107 PolarHBondContact O-N 3.14Å; T107-V109 VanDerWaalsContact C-N 3.28Å; T107-V109 PolarHBondContact O-N 3.13Å | ||
| 108 | G | 45 | Very low | 42.4 | Very low | 83 Ų | 83 | 131.9 Ų | 131.9 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | trans | -73.8 | 76 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 109 | V | 36.7 | Very low | 42.4 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 70% | 0.703 | 76% | 0.762 | S | S | * | * | trans | -134.7 | 118.9 | 170.2 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | T107 V111 | T107-V109 VanDerWaalsContact C-N 3.28Å; T107-V109 PolarHBondContact O-N 3.13Å; V109-V111 HydrophobicContact CG1-CG2 4.35Å; V109-V111 PolarHBondContact O-N 2.8Å | ||
| 110 | M | 39.6 | Very low | 42 | Very low | 193 Ų | 193 | 138.6 Ų | 138.6 | 95% | 0.951 | 78% | 0.777 | S | S | * | * | trans | -81.4 | 112.1 | 178.2 | -68 | -89.9 | -78 | 0 | 0 | 109.9 | ||||
| 111 | V | 35.3 | Very low | 41.8 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | trans | -130.5 | 123.2 | 161.3 | -174.1 | 0 | 0 | 0 | 0 | 107.9 | V109 | V109-V111 HydrophobicContact CG1-CG2 4.35Å; V109-V111 PolarHBondContact O-N 2.8Å | ||
| 112 | A | 41.3 | Very low | 41.4 | Very low | 102 Ų | 102 | 152.5 Ų | 152.5 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -90.5 | 129.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 113 | E | 35.5 | Very low | 41.2 | Very low | 196 Ų | 196 | 150 Ų | 150 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -142.9 | 133.9 | 162 | -162.2 | 154.7 | -156.8 | 0 | 0 | 110.6 | ||||
| 114 | A | 40.3 | Very low | 41.2 | Very low | 92 Ų | 92 | 151.6 Ų | 151.6 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | trans | -88.4 | 143.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 115 | N | 40.5 | Very low | 40.9 | Very low | 165 Ų | 165 | 151.3 Ų | 151.3 | 88% | 0.882 | 83% | 0.829 | S | S | * | * | trans | -138.9 | 111.6 | 164.6 | -137 | -27.6 | 0 | 0 | 0 | 111.9 | ||||
| 116 | Q | 40.8 | Very low | 40.8 | Very low | 182 Ų | 182 | 150.6 Ų | 150.6 | 85% | 0.85 | 83% | 0.831 | S | S | * | * | trans | -86.2 | 134.8 | 169.2 | -62.2 | 175 | 5.2 | 0 | 0 | 108.6 | ||||
| 117 | S | 37.7 | Very low | 40.4 | Very low | 101 Ų | 101 | 156.2 Ų | 156.2 | 71% | 0.706 | 83% | 0.832 | S | S | * | * | -178.3 | 127.9 | 128.5 | -157.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 118 | R | 44 | Very low | 40.3 | Very low | 230 Ų | 230 | 155.2 Ų | 155.2 | 87% | 0.868 | 83% | 0.834 | S | S | * | * | trans | 54.2 | 90.2 | 143.2 | -69.9 | 177.1 | 171.5 | 176 | -2.6 | 121.3 | T120 | R118-T120 PolarHBondContact O-N 2.96Š| ||
| 119 | R | 45.5 | Very low | 40.1 | Very low | 243 Ų | 243 | 160.5 Ų | 160.5 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | -23.5 | 121 | 123.9 | 174 | -170.9 | -175.1 | -179.5 | 1.8 | 114.9 | |||||
| 120 | T | 37.6 | Very low | 40.2 | Very low | 139 Ų | 139 | 161.2 Ų | 161.2 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | trans | -152.4 | 134 | 137 | 36.3 | 0 | 0 | 0 | 0 | 111.3 | R118 | R118-T120 PolarHBondContact O-N 2.96Š| ||
| 121 | K | 45.7 | Very low | 40.7 | Very low | 200 Ų | 200 | 159 Ų | 159 | 87% | 0.87 | 84% | 0.835 | S | S | * | * | trans | -92.2 | 137 | 167.9 | -59.5 | 179.8 | -177.7 | -174 | 0 | 109 | ||||
| 122 | R | 35.7 | Very low | 41.2 | Very low | 252 Ų | 252 | 158.4 Ų | 158.4 | 95% | 0.951 | 83% | 0.832 | S | S | * | * | trans | 175.1 | 128.7 | 141.6 | -102.2 | 163.9 | 171.1 | -147.8 | -6.2 | 112.2 | ||||
| 123 | A | 42 | Very low | 41.8 | Very low | 91 Ų | 91 | 158.5 Ų | 158.5 | 75% | 0.752 | 83% | 0.832 | S | S | * | * | trans | -82.5 | 163.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 124 | P | 46.9 | Very low | 42.5 | Very low | 131 Ų | 131 | 153.6 Ų | 153.6 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | -149 | 173.8 | 96.7 | 39.5 | -23.1 | 0 | 0 | 0 | 117 | |||||
| 125 | L | 38.5 | Very low | 43.2 | Very low | 160 Ų | 160 | 154.1 Ų | 154.1 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | -109.1 | 156.9 | 170.3 | -144.4 | 74.5 | 0 | 0 | 0 | 107.6 | ||||
| 126 | V | 41.4 | Very low | 44 | Very low | 121 Ų | 121 | 151.3 Ų | 151.3 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | cis | -146.7 | 144.7 | 9.3 | -151.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 127 | R | 34.9 | Very low | 44.8 | Very low | 249 Ų | 249 | 146.5 Ų | 146.5 | 94% | 0.94 | 80% | 0.799 | S | S | * | * | trans | -158.5 | 134.2 | 144.7 | -159.5 | 71.1 | -178.1 | -166.4 | -0.6 | 111.6 | ||||
| 128 | A | 41.2 | Very low | 45.7 | Very low | 84 Ų | 84 | 145.1 Ų | 145.1 | 69% | 0.694 | 79% | 0.794 | S | S | * | * | trans | -108.4 | 167.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 129 | K | 40.8 | Very low | 46.3 | Very low | 194 Ų | 194 | 140 Ų | 140 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | 72.1 | 96.8 | 169.8 | -70.6 | -178.9 | 170.9 | 179.6 | 0 | 118.1 | ||||
| 130 | T | 38.1 | Very low | 47 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | -132.9 | 129.9 | 117.3 | -39 | 0 | 0 | 0 | 0 | 108.2 | V132 | T130-V132 HydrophobicContact CG2-CG2 4.05Å; T130-V132 PolarHBondContact O-N 3.26Å | |||
| 131 | V | 51.5 | Low | 48.1 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 89% | 0.885 | 75% | 0.745 | S | S | * | * | trans | -87 | 108.2 | 174.8 | -153.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 132 | V | 45.7 | Very low | 49 | Very low | 118 Ų | 118 | 126.4 Ų | 126.4 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | trans | -125.6 | 120.9 | 171.2 | -172.3 | 0 | 0 | 0 | 0 | 106.9 | T130 A134 | T130-V132 HydrophobicContact CG2-CG2 4.05Å; T130-V132 PolarHBondContact O-N 3.26Å; V132-A134 VanDerWaalsContact C-N 3.33Å; V132-A134 PolarHBondContact O-N 3.02Å | ||
| 133 | A | 53.7 | Low | 51.3 | Low | 103 Ų | 103 | 117.9 Ų | 117.9 | 85% | 0.851 | 71% | 0.705 | S | S | * | * | trans | -69.8 | 89.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | S135 | A133-S135 PolarHBondContact O-N 3.28Š| ||
| 134 | A | 50.9 | Low | 53.6 | Low | 94 Ų | 94 | 118 Ų | 118 | 78% | 0.777 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 119.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | V132 | V132-A134 VanDerWaalsContact C-N 3.33Å; V132-A134 PolarHBondContact O-N 3.02Å |
| 135 | S | 53.5 | Low | 55.8 | Low | 102 Ų | 102 | 115.5 Ų | 115.5 | 71% | 0.713 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 143.7 | 176.5 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | A133 | A133-S135 PolarHBondContact O-N 3.28Š|
| 136 | P | 58.4 | Low | 58.4 | Low | 107 Ų | 107 | 111.8 Ų | 111.8 | 70% | 0.695 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 136.7 | 170.8 | 23.7 | -34.3 | 0 | 0 | 0 | 110 | A138 | P136-A138 PolarHBondContact O-N 2.94Š|
| 137 | P | 56.4 | Low | 60.9 | Low | 80 Ų | 80 | 112.8 Ų | 112.8 | 52% | 0.519 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -69 | 120.8 | -164.8 | 25.4 | -34.1 | 0 | 0 | 0 | 111.6 | H139 N140 | P137-H139 HydrophobicContact CB-CB 3.93Å; P137-H139 PolarHBondContact O-N 2.84Å; P137-N140 PolarHBondContact O-N 2.92Å; P137-N140 VanDerWaalsContact O-N 3.13Å; P137-N140 PolarHBondContact O-ND2 2.84Å |
| 138 | A | 57.5 | Low | 63.8 | Low | 73 Ų | 73 | 105.7 Ų | 105.7 | 60% | 0.603 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -14.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P136 N140 V141 | P136-A138 PolarHBondContact O-N 2.94Å; A138-N140 PolarHBondContact O-N 2.87Å; A138-N140 VanDerWaalsContact O-N 3.1Å; A138-V141 PolarHBondContact O-N 3.45Å |
| 139 | H | 57.1 | Low | 66.4 | Low | 123 Ų | 123 | 106.9 Ų | 106.9 | 57% | 0.569 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -50.2 | -27.5 | 169.6 | -151.7 | -17.3 | 0 | 0 | 0 | 113.8 | P137 N143 | P137-H139 HydrophobicContact CB-CB 3.93Å; P137-H139 PolarHBondContact O-N 2.84Å; H139-N143 PolarHBondContact ND1-OD1 2.92Å; H139-N143 WeakPolarHBondContact O-CB 3.41Å; H139-N143 PolarHBondContact O-N 2.84Å; H139-N143 PolarHBondContact O-OD1 3.16Å |
| 140 | N | 58.7 | Low | 69.1 | Low | 98 Ų | 98 | 104 Ų | 104 | 52% | 0.524 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -72.7 | -35.1 | 178.2 | -62.5 | -35.7 | 0 | 0 | 0 | 112.8 | P137 A138 N143 I144 | P137-N140 PolarHBondContact O-N 2.92Å; P137-N140 VanDerWaalsContact O-N 3.13Å; P137-N140 PolarHBondContact O-ND2 2.84Å; A138-N140 PolarHBondContact O-N 2.87Å; A138-N140 VanDerWaalsContact O-N 3.1Å; N140-N143 PolarHBondContact O-N 3.18Å; N140-I144 WeakPolarHBondContact O-CD1 3.04Å; N140-I144 WeakPolarHBondContact O-CG1 3.47Å; N140-I144 PolarHBondContact O-N 3.46Å |
| 141 | V | 61.3 | Low | 71.9 | Confident | 87 Ų | 87 | 100.3 Ų | 100.3 | 53% | 0.527 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74 | -48.9 | -175.8 | -176.8 | 0 | 0 | 0 | 0 | 110.3 | A138 N143 I144 D145 | A138-V141 PolarHBondContact O-N 3.45Å; V141-N143 PolarHBondContact O-N 3.39Å; V141-N143 VanDerWaalsContact O-N 3.12Å; V141-I144 WeakPolarHBondContact O-CA 3.49Å; V141-I144 WeakPolarHBondContact O-CB 3.42Å; V141-I144 PolarHBondContact O-N 3.2Å; V141-D145 PolarHBondContact O-N 3.49Å; V141-D145 VanDerWaalsContact O-N 3.11Å |
| 142 | L | 65.5 | Low | 74.1 | Confident | 111 Ų | 111 | 98.4 Ų | 98.4 | 58% | 0.581 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -56.5 | -31.2 | 174.3 | -59.4 | 176.6 | 0 | 0 | 0 | 112.5 | N146 | L142-N146 VanDerWaalsContact O-CG 3.24Å; L142-N146 PolarHBondContact O-N 2.96Å; L142-N146 PolarHBondContact O-ND2 3.23Å; L142-N146 VanDerWaalsContact O-ND2 3.15Å |
| 143 | N | 82.3 | Confident | 76.6 | Confident | 73 Ų | 73 | 96.4 Ų | 96.4 | 39% | 0.39 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -79.4 | -19.5 | 177 | -71.5 | 21.8 | 0 | 0 | 0 | 113.4 | H139 N140 V141 K147 | H139-N143 PolarHBondContact ND1-OD1 2.92Å; H139-N143 WeakPolarHBondContact O-CB 3.41Å; H139-N143 PolarHBondContact O-N 2.84Å; H139-N143 PolarHBondContact O-OD1 3.16Å; N140-N143 PolarHBondContact O-N 3.18Å; V141-N143 PolarHBondContact O-N 3.39Å; V141-N143 VanDerWaalsContact O-N 3.12Å; N143-K147 VanDerWaalsContact O-CD 3.31Å; N143-K147 WeakPolarHBondContact O-CD 3.36Å; N143-K147 VanDerWaalsContact O-CG 3.25Å; N143-K147 WeakPolarHBondContact O-CG 3.26Å |
| 144 | I | 90.6 | Very high | 78.7 | Confident | 92 Ų | 92 | 97.5 Ų | 97.5 | 47% | 0.472 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -80.2 | -46.2 | 173.8 | -71.3 | 162 | 0 | 0 | 0 | 109.8 | N140 V141 N146 K147 I148 | N140-I144 WeakPolarHBondContact O-CD1 3.04Å; N140-I144 WeakPolarHBondContact O-CG1 3.47Å; N140-I144 PolarHBondContact O-N 3.46Å; V141-I144 WeakPolarHBondContact O-CA 3.49Å; V141-I144 WeakPolarHBondContact O-CB 3.42Å; V141-I144 PolarHBondContact O-N 3.2Å; I144-N146 VanDerWaalsContact C-N 3.33Å; I144-N146 PolarHBondContact O-N 2.91Å; I144-K147 CarbonylContact O-C 3.58Å; I144-K147 WeakPolarHBondContact O-CA 3.5Å; I144-K147 WeakPolarHBondContact O-CB 3.44Å; I144-K147 PolarHBondContact O-N 3.24Å; I144-I148 HydrophobicContact CG2-CD1 3.81Å; I144-I148 HydrophobicContact CG2-CG1 4.35Å; I144-I148 WeakPolarHBondContact O-CG1 3.21Å; I144-I148 PolarHBondContact O-N 3.35Å |
| 145 | D | 93.7 | Very high | 81 | Confident | 80 Ų | 80 | 97.8 Ų | 97.8 | 43% | 0.428 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.3 | -47.3 | 178.9 | -59.5 | -30.2 | 0 | 0 | 0 | 110.6 | V141 K147 I148 E149 | V141-D145 PolarHBondContact O-N 3.49Å; V141-D145 VanDerWaalsContact O-N 3.11Å; D145-K147 PolarHBondContact O-N 3.08Å; D145-I148 WeakPolarHBondContact O-CB 3.46Å; D145-I148 PolarHBondContact O-N 2.83Å; D145-E149 PolarHBondContact O-N 3.45Å |
| 146 | N | 92.9 | Very high | 83.1 | Confident | 81 Ų | 81 | 97.9 Ų | 97.9 | 43% | 0.433 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58 | -30.4 | 173.2 | -73 | -20.1 | 0 | 0 | 0 | 113.8 | L142 I144 Q150 | L142-N146 VanDerWaalsContact O-CG 3.24Å; L142-N146 PolarHBondContact O-N 2.96Å; L142-N146 PolarHBondContact O-ND2 3.23Å; L142-N146 VanDerWaalsContact O-ND2 3.15Å; I144-N146 VanDerWaalsContact C-N 3.33Å; I144-N146 PolarHBondContact O-N 2.91Å; N146-Q150 WeakPolarHBondContact O-CB 3.37Å; N146-Q150 VanDerWaalsContact O-CG 3.28Å; N146-Q150 WeakPolarHBondContact O-CG 3.26Å; N146-Q150 PolarHBondContact O-N 2.99Å; N146-Q150 PolarHBondContact O-NE2 3.2Å |
| 147 | K | 94.6 | Very high | 85 | Confident | 142 Ų | 142 | 95.8 Ų | 95.8 | 62% | 0.617 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -78.5 | -34.2 | 176 | -78.8 | 168.5 | 176.4 | -74.8 | 0 | 111.8 | N143 I144 D145 A151 | N143-K147 VanDerWaalsContact O-CD 3.31Å; N143-K147 WeakPolarHBondContact O-CD 3.36Å; N143-K147 VanDerWaalsContact O-CG 3.25Å; N143-K147 WeakPolarHBondContact O-CG 3.26Å; I144-K147 CarbonylContact O-C 3.58Å; I144-K147 WeakPolarHBondContact O-CA 3.5Å; I144-K147 WeakPolarHBondContact O-CB 3.44Å; I144-K147 PolarHBondContact O-N 3.24Å; D145-K147 PolarHBondContact O-N 3.08Å; K147-A151 WeakPolarHBondContact O-CB 3.34Å; K147-A151 PolarHBondContact O-N 2.78Å |
| 148 | I | 95.4 | Very high | 87 | Confident | 100 Ų | 100 | 98.3 Ų | 98.3 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.8 | -45.1 | 173.7 | -66.7 | 167.8 | 0 | 0 | 0 | 109.6 | I144 D145 A151 M152 | I144-I148 HydrophobicContact CG2-CD1 3.81Å; I144-I148 HydrophobicContact CG2-CG1 4.35Å; I144-I148 WeakPolarHBondContact O-CG1 3.21Å; I144-I148 PolarHBondContact O-N 3.35Å; D145-I148 WeakPolarHBondContact O-CB 3.46Å; D145-I148 PolarHBondContact O-N 2.83Å; I148-A151 PolarHBondContact O-N 3.11Å; I148-M152 WeakPolarHBondContact O-CB 3.07Å; I148-M152 PolarHBondContact O-N 3.38Å |
| 149 | E | 96 | Very high | 88.9 | Confident | 110 Ų | 110 | 100 Ų | 100 | 51% | 0.514 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 174.8 | -71.4 | -166.8 | 149.3 | 0 | 0 | 112 | D145 A151 M152 D153 | D145-E149 PolarHBondContact O-N 3.45Å; E149-A151 VanDerWaalsContact C-N 3.34Å; E149-A151 PolarHBondContact O-N 3.14Å; E149-M152 PolarHBondContact O-N 2.74Å; E149-M152 VanDerWaalsContact O-N 3.16Å; E149-D153 WeakPolarHBondContact O-CB 3.38Å; E149-D153 PolarHBondContact O-N 3.05Å |
| 150 | Q | 96.4 | Very high | 90.9 | Very high | 132 Ų | 132 | 100.3 Ų | 100.3 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.1 | -43 | 175 | -79.9 | 166.9 | 71.6 | 0 | 0 | 113 | N146 L154 | N146-Q150 WeakPolarHBondContact O-CB 3.37Å; N146-Q150 VanDerWaalsContact O-CG 3.28Å; N146-Q150 WeakPolarHBondContact O-CG 3.26Å; N146-Q150 PolarHBondContact O-N 2.99Å; N146-Q150 PolarHBondContact O-NE2 3.2Å; Q150-L154 WeakPolarHBondContact O-CB 3.23Å; Q150-L154 PolarHBondContact O-N 2.96Å |
| 151 | A | 97.4 | Very high | 92.7 | Very high | 55 Ų | 55 | 101.4 Ų | 101.4 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K147 I148 E149 L154 V155 | K147-A151 WeakPolarHBondContact O-CB 3.34Å; K147-A151 PolarHBondContact O-N 2.78Å; I148-A151 PolarHBondContact O-N 3.11Å; E149-A151 VanDerWaalsContact C-N 3.34Å; E149-A151 PolarHBondContact O-N 3.14Å; A151-L154 PolarHBondContact O-N 3.46Å; A151-V155 VanDerWaalsContact O-CG2 3.32Å; A151-V155 WeakPolarHBondContact O-CG2 3.33Å; A151-V155 PolarHBondContact O-N 3.35Å |
| 152 | M | 98.1 | Very high | 94.5 | Very high | 106 Ų | 106 | 99 Ų | 99 | 52% | 0.522 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.4 | -41.4 | 177.9 | -177.8 | 171.4 | 64.7 | 0 | 0 | 112.2 | I148 E149 V155 K156 | I148-M152 WeakPolarHBondContact O-CB 3.07Å; I148-M152 PolarHBondContact O-N 3.38Å; E149-M152 PolarHBondContact O-N 2.74Å; E149-M152 VanDerWaalsContact O-N 3.16Å; M152-V155 PolarHBondContact O-N 3.44Å; M152-K156 VanDerWaalsContact O-CB 3.27Å; M152-K156 WeakPolarHBondContact O-CB 3.5Å; M152-K156 PolarHBondContact O-N 2.88Å |
| 153 | D | 97.8 | Very high | 96.1 | Very high | 76 Ų | 76 | 97.5 Ų | 97.5 | 41% | 0.406 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.6 | -34.1 | 176.2 | -81.6 | -20.5 | 0 | 0 | 0 | 112.3 | E149 K156 T157 | E149-D153 WeakPolarHBondContact O-CB 3.38Å; E149-D153 PolarHBondContact O-N 3.05Å; D153-K156 WeakPolarHBondContact OD1-CE 3.35Å; D153-K156 IonicContact OD1-NZ 2.64Å; D153-K156 PolarHBondContact OD1-NZ 3.44Å; D153-T157 WeakPolarHBondContact O-CB 3.49Å; D153-T157 PolarHBondContact O-N 3Å; D153-T157 PolarHBondContact O-OG1 3Å |
| 154 | L | 97.9 | Very high | 96.8 | Very high | 125 Ų | 125 | 102 Ų | 102 | 65% | 0.654 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.3 | -46.6 | 170 | -178.7 | 62.9 | 0 | 0 | 0 | 111.4 | Q150 A151 T157 H158 | Q150-L154 WeakPolarHBondContact O-CB 3.23Å; Q150-L154 PolarHBondContact O-N 2.96Å; A151-L154 PolarHBondContact O-N 3.46Å; L154-T157 PolarHBondContact O-N 3.37Å; L154-H158 WeakPolarHBondContact O-CB 3.42Å; L154-H158 PolarHBondContact O-N 3.45Å |
| 155 | V | 98.3 | Very high | 97.2 | Very high | 101 Ų | 101 | 104.3 Ų | 104.3 | 61% | 0.612 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.5 | -45.7 | 176.3 | 167.9 | 0 | 0 | 0 | 0 | 111.3 | A151 M152 T157 H158 L159 | A151-V155 VanDerWaalsContact O-CG2 3.32Å; A151-V155 WeakPolarHBondContact O-CG2 3.33Å; A151-V155 PolarHBondContact O-N 3.35Å; M152-V155 PolarHBondContact O-N 3.44Å; V155-T157 PolarHBondContact O-N 3.49Å; V155-H158 PolarHBondContact O-N 3.28Å; V155-L159 WeakPolarHBondContact O-CB 3.49Å; V155-L159 PolarHBondContact O-N 2.94Å |
| 156 | K | 98.5 | Very high | 97.4 | Very high | 104 Ų | 104 | 106.9 Ų | 106.9 | 45% | 0.452 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.2 | -49.1 | 175.7 | -177.1 | -168.8 | -62.3 | 161.3 | 0 | 111.1 | M152 D153 L159 M160 | M152-K156 VanDerWaalsContact O-CB 3.27Å; M152-K156 WeakPolarHBondContact O-CB 3.5Å; M152-K156 PolarHBondContact O-N 2.88Å; D153-K156 WeakPolarHBondContact OD1-CE 3.35Å; D153-K156 IonicContact OD1-NZ 2.64Å; D153-K156 PolarHBondContact OD1-NZ 3.44Å; K156-L159 PolarHBondContact O-N 2.99Å; K156-M160 HydrophobicContact CG-SD 4.34Å; K156-M160 WeakPolarHBondContact O-CB 3.35Å; K156-M160 VanDerWaalsContact O-CG 3.27Å; K156-M160 WeakPolarHBondContact O-CG 3.29Å; K156-M160 PolarHBondContact O-N 2.91Å |
| 157 | T | 98.1 | Very high | 97.7 | Very high | 62 Ų | 62 | 105.8 Ų | 105.8 | 38% | 0.38 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 178.9 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | D153 L154 V155 M160 F161 | D153-T157 WeakPolarHBondContact O-CB 3.49Å; D153-T157 PolarHBondContact O-N 3Å; D153-T157 PolarHBondContact O-OG1 3Å; L154-T157 PolarHBondContact O-N 3.37Å; V155-T157 PolarHBondContact O-N 3.49Å; T157-M160 PolarHBondContact O-N 3.29Å; T157-F161 HydrophobicContact CG2-CD2 3.82Å; T157-F161 HydrophobicContact CG2-CE2 3.38Å; T157-F161 HydrophobicContact CG2-CZ 4.33Å; T157-F161 WeakPolarHBondContact O-CD2 3.36Å; T157-F161 PolarHBondContact O-N 3.45Å |
| 158 | H | 98.2 | Very high | 97.9 | Very high | 133 Ų | 133 | 102.3 Ų | 102.3 | 62% | 0.616 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.8 | -43.4 | 178 | -174.4 | 55.2 | 0 | 0 | 0 | 112.1 | L154 V155 F161 A162 | L154-H158 WeakPolarHBondContact O-CB 3.42Å; L154-H158 PolarHBondContact O-N 3.45Å; V155-H158 PolarHBondContact O-N 3.28Å; H158-F161 PolarHBondContact O-N 3.24Å; H158-A162 WeakPolarHBondContact O-CB 3.44Å; H158-A162 PolarHBondContact O-N 2.94Å |
| 159 | L | 98.5 | Very high | 98 | Very high | 109 Ų | 109 | 99.8 Ų | 99.8 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.9 | -41.2 | 175.6 | -176.5 | 64.6 | 0 | 0 | 0 | 111.7 | V155 K156 F161 A162 V163 | V155-L159 WeakPolarHBondContact O-CB 3.49Å; V155-L159 PolarHBondContact O-N 2.94Å; K156-L159 PolarHBondContact O-N 2.99Å; L159-F161 VanDerWaalsContact C-N 3.31Å; L159-F161 PolarHBondContact O-N 3.24Å; L159-A162 PolarHBondContact O-N 3.01Å; L159-V163 HydrophobicContact CD1-CG2 3.76Å; L159-V163 HydrophobicContact CG-CG2 4.12Å; L159-V163 VanDerWaalsContact O-CB 3.3Å; L159-V163 WeakPolarHBondContact O-CB 3.4Å; L159-V163 VanDerWaalsContact O-CG2 3.25Å; L159-V163 WeakPolarHBondContact O-CG2 3.23Å; L159-V163 PolarHBondContact O-N 3.1Å |
| 160 | M | 97.9 | Very high | 98.2 | Very high | 129 Ų | 129 | 99.5 Ų | 99.5 | 64% | 0.635 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.3 | -39.7 | 175.4 | -76.8 | 177.7 | 67.2 | 0 | 0 | 112.4 | K156 T157 R164 | K156-M160 HydrophobicContact CG-SD 4.34Å; K156-M160 WeakPolarHBondContact O-CB 3.35Å; K156-M160 VanDerWaalsContact O-CG 3.27Å; K156-M160 WeakPolarHBondContact O-CG 3.29Å; K156-M160 PolarHBondContact O-N 2.91Å; T157-M160 PolarHBondContact O-N 3.29Å; M160-R164 VanDerWaalsContact O-CB 3.27Å; M160-R164 WeakPolarHBondContact O-CB 3.39Å; M160-R164 PolarHBondContact O-N 2.74Å |
| 161 | F | 98.2 | Very high | 98.3 | Very high | 121 Ų | 121 | 100.7 Ų | 100.7 | 53% | 0.531 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.6 | -51 | 174.9 | -70.7 | -53.4 | 0 | 0 | 0 | 112.1 | T157 H158 L159 V163 R164 E165 | T157-F161 HydrophobicContact CG2-CD2 3.82Å; T157-F161 HydrophobicContact CG2-CE2 3.38Å; T157-F161 HydrophobicContact CG2-CZ 4.33Å; T157-F161 WeakPolarHBondContact O-CD2 3.36Å; T157-F161 PolarHBondContact O-N 3.45Å; H158-F161 PolarHBondContact O-N 3.24Å; L159-F161 VanDerWaalsContact C-N 3.31Å; L159-F161 PolarHBondContact O-N 3.24Å; F161-V163 PolarHBondContact O-N 3.11Å; F161-R164 WeakPolarHBondContact O-CB 3.4Å; F161-R164 PolarHBondContact O-N 2.9Å; F161-E165 WeakPolarHBondContact O-CG 3.3Å; F161-E165 PolarHBondContact O-N 3.43Å |
| 162 | A | 98.2 | Very high | 98.3 | Very high | 37 Ų | 37 | 99.6 Ų | 99.6 | 31% | 0.306 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.7 | -45.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | H158 L159 R164 E165 E166 | H158-A162 WeakPolarHBondContact O-CB 3.44Å; H158-A162 PolarHBondContact O-N 2.94Å; L159-A162 PolarHBondContact O-N 3.01Å; A162-R164 VanDerWaalsContact C-N 3.3Å; A162-R164 PolarHBondContact O-N 3.38Å; A162-E165 PolarHBondContact O-N 3.44Å; A162-E166 WeakPolarHBondContact O-CG 3.4Å; A162-E166 PolarHBondContact O-N 2.9Å |
| 163 | V | 98.6 | Very high | 98.3 | Very high | 80 Ų | 80 | 101.3 Ų | 101.3 | 49% | 0.485 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.8 | -36.2 | 176.5 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | L159 F161 V167 | L159-V163 HydrophobicContact CD1-CG2 3.76Å; L159-V163 HydrophobicContact CG-CG2 4.12Å; L159-V163 VanDerWaalsContact O-CB 3.3Å; L159-V163 WeakPolarHBondContact O-CB 3.4Å; L159-V163 VanDerWaalsContact O-CG2 3.25Å; L159-V163 WeakPolarHBondContact O-CG2 3.23Å; L159-V163 PolarHBondContact O-N 3.1Å; F161-V163 PolarHBondContact O-N 3.11Å; V163-V167 HydrophobicContact CG1-CG2 4.4Å; V163-V167 WeakPolarHBondContact O-CB 3.5Å; V163-V167 VanDerWaalsContact O-CG2 3.22Å; V163-V167 WeakPolarHBondContact O-CG2 3.36Å; V163-V167 PolarHBondContact O-N 3.14Å |
| 164 | R | 98.1 | Very high | 98.4 | Very high | 167 Ų | 167 | 102.1 Ų | 102.1 | 63% | 0.63 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.2 | -46.4 | 176.7 | -174.3 | 179.2 | -163 | 146.8 | 5.9 | 111.7 | M160 F161 A162 V167 D168 | M160-R164 VanDerWaalsContact O-CB 3.27Å; M160-R164 WeakPolarHBondContact O-CB 3.39Å; M160-R164 PolarHBondContact O-N 2.74Å; F161-R164 WeakPolarHBondContact O-CB 3.4Å; F161-R164 PolarHBondContact O-N 2.9Å; A162-R164 VanDerWaalsContact C-N 3.3Å; A162-R164 PolarHBondContact O-N 3.38Å; R164-V167 PolarHBondContact O-N 3.07Å; R164-D168 IonicContact NE-OD2 3.97Å; R164-D168 WeakPolarHBondContact O-CB 3.45Å; R164-D168 PolarHBondContact O-N 3.25Å |
| 165 | E | 98.3 | Very high | 98.4 | Very high | 141 Ų | 141 | 101.9 Ų | 101.9 | 66% | 0.659 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61 | -44.3 | 178.1 | -71.9 | 178.1 | 174.6 | 0 | 0 | 111.5 | F161 A162 G169 | F161-E165 WeakPolarHBondContact O-CG 3.3Å; F161-E165 PolarHBondContact O-N 3.43Å; A162-E165 PolarHBondContact O-N 3.44Å; E165-G169 PolarHBondContact O-N 3Å |
| 166 | E | 98.3 | Very high | 98.4 | Very high | 133 Ų | 133 | 102.2 Ų | 102.2 | 62% | 0.621 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.2 | -43.9 | 174.6 | -71.7 | -63.4 | 146.9 | 0 | 0 | 112.3 | A162 G169 L170 | A162-E166 WeakPolarHBondContact O-CG 3.4Å; A162-E166 PolarHBondContact O-N 2.9Å; E166-G169 PolarHBondContact O-N 3.36Å; E166-L170 WeakPolarHBondContact O-CB 3.25Å; E166-L170 VanDerWaalsContact O-CG 3.24Å; E166-L170 WeakPolarHBondContact O-CG 3.22Å; E166-L170 PolarHBondContact O-N 2.85Å |
| 167 | V | 98.7 | Very high | 98.4 | Very high | 58 Ų | 58 | 101.9 Ų | 101.9 | 35% | 0.352 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 177.9 | 165.9 | 0 | 0 | 0 | 0 | 111.9 | V163 R164 L170 R171 | V163-V167 HydrophobicContact CG1-CG2 4.4Å; V163-V167 WeakPolarHBondContact O-CB 3.5Å; V163-V167 VanDerWaalsContact O-CG2 3.22Å; V163-V167 WeakPolarHBondContact O-CG2 3.36Å; V163-V167 PolarHBondContact O-N 3.14Å; R164-V167 PolarHBondContact O-N 3.07Å; V167-L170 PolarHBondContact O-N 2.87Å; V167-R171 WeakPolarHBondContact O-CB 3.42Å; V167-R171 WeakPolarHBondContact O-CD 3.5Å; V167-R171 VanDerWaalsContact O-CG 3.25Å; V167-R171 WeakPolarHBondContact O-CG 3.38Å; V167-R171 PolarHBondContact O-N 3.4Å |
| 168 | D | 98.4 | Very high | 98.4 | Very high | 70 Ų | 70 | 103.7 Ų | 103.7 | 37% | 0.374 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.4 | -32.8 | -179.8 | -70.5 | -25.3 | 0 | 0 | 0 | 111.3 | R164 R171 G172 | R164-D168 IonicContact NE-OD2 3.97Å; R164-D168 WeakPolarHBondContact O-CB 3.45Å; R164-D168 PolarHBondContact O-N 3.25Å; D168-R171 PolarHBondContact O-N 2.99Å; D168-R171 IonicContact OD1-CZ 3.78Å; D168-R171 IonicContact OD1-NH1 2.74Å; D168-R171 PolarHBondContact OD1-NH1 3.11Å; D168-G172 PolarHBondContact O-N 3.16Å |
| 169 | G | 98.5 | Very high | 98.4 | Very high | 46 Ų | 46 | 99.4 Ų | 99.4 | 47% | 0.474 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E165 E166 G172 K173 | E165-G169 PolarHBondContact O-N 3Å; E166-G169 PolarHBondContact O-N 3.36Å; G169-G172 PolarHBondContact O-N 2.64Å; G169-K173 PolarHBondContact O-N 3.35Å |
| 170 | L | 98.8 | Very high | 98.4 | Very high | 104 Ų | 104 | 98.4 Ų | 98.4 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 174.3 | -74.4 | 171.5 | 0 | 0 | 0 | 111.8 | E166 V167 K173 I174 | E166-L170 WeakPolarHBondContact O-CB 3.25Å; E166-L170 VanDerWaalsContact O-CG 3.24Å; E166-L170 WeakPolarHBondContact O-CG 3.22Å; E166-L170 PolarHBondContact O-N 2.85Å; V167-L170 PolarHBondContact O-N 2.87Å; L170-K173 PolarHBondContact O-N 3.3Å; L170-I174 VanDerWaalsContact O-CG1 3.29Å; L170-I174 WeakPolarHBondContact O-CG1 3.49Å; L170-I174 PolarHBondContact O-N 2.84Å |
| 171 | R | 98.5 | Very high | 98.5 | Very high | 157 Ų | 157 | 95.7 Ų | 95.7 | 59% | 0.592 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.3 | -46.1 | 174.5 | -75.9 | 164.9 | 170 | 168.1 | -3.3 | 112.2 | V167 D168 K173 I174 F175 | V167-R171 WeakPolarHBondContact O-CB 3.42Å; V167-R171 WeakPolarHBondContact O-CD 3.5Å; V167-R171 VanDerWaalsContact O-CG 3.25Å; V167-R171 WeakPolarHBondContact O-CG 3.38Å; V167-R171 PolarHBondContact O-N 3.4Å; D168-R171 PolarHBondContact O-N 2.99Å; D168-R171 IonicContact OD1-CZ 3.78Å; D168-R171 IonicContact OD1-NH1 2.74Å; D168-R171 PolarHBondContact OD1-NH1 3.11Å; R171-K173 VanDerWaalsContact C-N 3.35Å; R171-K173 PolarHBondContact O-N 3.47Å; R171-I174 PolarHBondContact O-N 3.16Å; R171-F175 WeakPolarHBondContact O-CB 3.24Å; R171-F175 PolarHBondContact O-N 3.25Å |
| 172 | G | 98.6 | Very high | 98.4 | Very high | 32 Ų | 32 | 96.3 Ų | 96.3 | 33% | 0.33 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.5 | -46.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | D168 G169 I174 F175 D176 | D168-G172 PolarHBondContact O-N 3.16Å; G169-G172 PolarHBondContact O-N 2.64Å; G172-I174 PolarHBondContact O-N 2.86Å; G172-F175 PolarHBondContact O-N 3.36Å; G172-D176 PolarHBondContact O-N 3.49Å |
| 173 | K | 98.5 | Very high | 98.4 | Very high | 142 Ų | 142 | 101.5 Ų | 101.5 | 62% | 0.617 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.7 | -37.3 | 178.6 | -170.5 | 166.2 | -176.7 | 173.3 | 0 | 113.4 | G169 L170 R171 L177 | G169-K173 PolarHBondContact O-N 3.35Å; L170-K173 PolarHBondContact O-N 3.3Å; R171-K173 VanDerWaalsContact C-N 3.35Å; R171-K173 PolarHBondContact O-N 3.47Å; K173-L177 HydrophobicContact CG-CD1 4.15Å; K173-L177 WeakPolarHBondContact O-CB 3.17Å; K173-L177 WeakPolarHBondContact O-CD1 3.3Å; K173-L177 VanDerWaalsContact O-CG 3.23Å; K173-L177 WeakPolarHBondContact O-CG 3.06Å; K173-L177 PolarHBondContact O-N 2.89Å; K173-L177 VanDerWaalsContact O-N 3.08Å |
| 174 | I | 98.6 | Very high | 98.4 | Very high | 94 Ų | 94 | 101.5 Ų | 101.5 | 48% | 0.482 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.3 | -50.4 | 172.9 | -70.7 | 163.2 | 0 | 0 | 0 | 109.8 | L170 R171 G172 D176 L177 E178 | L170-I174 VanDerWaalsContact O-CG1 3.29Å; L170-I174 WeakPolarHBondContact O-CG1 3.49Å; L170-I174 PolarHBondContact O-N 2.84Å; R171-I174 PolarHBondContact O-N 3.16Å; G172-I174 PolarHBondContact O-N 2.86Å; I174-D176 PolarHBondContact O-N 3.43Å; I174-L177 PolarHBondContact O-N 2.89Å; I174-E178 HydrophobicContact CG2-CG 4.29Å; I174-E178 WeakPolarHBondContact CG2-OE1 3.36Å; I174-E178 WeakPolarHBondContact O-CG 3.5Å; I174-E178 PolarHBondContact O-N 3.37Å |
| 175 | F | 98.5 | Very high | 98.4 | Very high | 120 Ų | 120 | 99.2 Ų | 99.2 | 53% | 0.526 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.8 | -44.8 | 179.4 | 177.7 | -104.7 | 0 | 0 | 0 | 112.6 | R171 G172 E178 N179 | R171-F175 WeakPolarHBondContact O-CB 3.24Å; R171-F175 PolarHBondContact O-N 3.25Å; G172-F175 PolarHBondContact O-N 3.36Å; F175-E178 PolarHBondContact O-N 2.92Å; F175-N179 VanDerWaalsContact CD1-ND2 3.3Å; F175-N179 WeakPolarHBondContact CD1-ND2 3.3Å; F175-N179 WeakPolarHBondContact CE1-ND2 3.36Å; F175-N179 WeakPolarHBondContact CZ-ND2 3.42Å; F175-N179 WeakPolarHBondContact O-CB 3.37Å; F175-N179 PolarHBondContact O-N 3.29Å; F175-N179 PolarHBondContact O-ND2 2.86Å |
| 176 | D | 98.5 | Very high | 98.3 | Very high | 107 Ų | 107 | 95 Ų | 95 | 57% | 0.572 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.3 | -41.2 | 177.3 | -74.8 | -21.5 | 0 | 0 | 0 | 112.5 | G172 I174 N179 H180 | G172-D176 PolarHBondContact O-N 3.49Å; I174-D176 PolarHBondContact O-N 3.43Å; D176-N179 PolarHBondContact O-N 3.34Å; D176-H180 WeakPolarHBondContact O-CB 3.42Å; D176-H180 PolarHBondContact O-N 2.89Å |
| 177 | L | 98.7 | Very high | 98.1 | Very high | 98 Ų | 98 | 93.1 Ų | 93.1 | 51% | 0.513 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.5 | -44 | 176.3 | -73.3 | 170.7 | 0 | 0 | 0 | 111.9 | K173 I174 N179 H180 V181 | K173-L177 HydrophobicContact CG-CD1 4.15Å; K173-L177 WeakPolarHBondContact O-CB 3.17Å; K173-L177 WeakPolarHBondContact O-CD1 3.3Å; K173-L177 VanDerWaalsContact O-CG 3.23Å; K173-L177 WeakPolarHBondContact O-CG 3.06Å; K173-L177 PolarHBondContact O-N 2.89Å; K173-L177 VanDerWaalsContact O-N 3.08Å; I174-L177 PolarHBondContact O-N 2.89Å; L177-N179 VanDerWaalsContact C-N 3.34Å; L177-N179 PolarHBondContact O-N 2.98Å; L177-H180 PolarHBondContact O-N 3.19Å; L177-V181 WeakPolarHBondContact O-CG2 3.48Å; L177-V181 PolarHBondContact O-N 2.88Å |
| 178 | E | 98.5 | Very high | 97.9 | Very high | 100 Ų | 100 | 94 Ų | 94 | 47% | 0.467 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 174.7 | -74 | 178.9 | 178.1 | 0 | 0 | 111.9 | I174 F175 H180 V181 R182 | I174-E178 HydrophobicContact CG2-CG 4.29Å; I174-E178 WeakPolarHBondContact CG2-OE1 3.36Å; I174-E178 WeakPolarHBondContact O-CG 3.5Å; I174-E178 PolarHBondContact O-N 3.37Å; F175-E178 PolarHBondContact O-N 2.92Å; E178-H180 VanDerWaalsContact C-N 3.33Å; E178-V181 PolarHBondContact O-N 3.12Å; E178-R182 VanDerWaalsContact O-CB 3.3Å; E178-R182 WeakPolarHBondContact O-CB 3.4Å; E178-R182 PolarHBondContact O-N 3.06Å |
| 179 | N | 98.3 | Very high | 97.6 | Very high | 42 Ų | 42 | 92.6 Ų | 92.6 | 23% | 0.225 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -65.9 | -35.4 | 175.6 | -71.2 | -34.1 | 0 | 0 | 0 | 112.3 | F175 D176 L177 R182 R183 | F175-N179 VanDerWaalsContact CD1-ND2 3.3Å; F175-N179 WeakPolarHBondContact CD1-ND2 3.3Å; F175-N179 WeakPolarHBondContact CE1-ND2 3.36Å; F175-N179 WeakPolarHBondContact CZ-ND2 3.42Å; F175-N179 WeakPolarHBondContact O-CB 3.37Å; F175-N179 PolarHBondContact O-N 3.29Å; F175-N179 PolarHBondContact O-ND2 2.86Å; D176-N179 PolarHBondContact O-N 3.34Å; L177-N179 VanDerWaalsContact C-N 3.34Å; L177-N179 PolarHBondContact O-N 2.98Å; N179-R182 PolarHBondContact OD1-NH1 2.9Å; N179-R183 WeakPolarHBondContact O-CB 3.25Å; N179-R183 PolarHBondContact O-N 3.18Å |
| 180 | H | 98.4 | Very high | 97.3 | Very high | 89 Ų | 89 | 95.4 Ų | 95.4 | 41% | 0.412 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.6 | -47.1 | 175.4 | -174 | 39.4 | 0 | 0 | 0 | 111.6 | D176 L177 E178 R183 L184 | D176-H180 WeakPolarHBondContact O-CB 3.42Å; D176-H180 PolarHBondContact O-N 2.89Å; L177-H180 PolarHBondContact O-N 3.19Å; E178-H180 VanDerWaalsContact C-N 3.33Å; H180-R183 WeakPolarHBondContact O-CB 3.27Å; H180-R183 PolarHBondContact O-N 2.94Å; H180-L184 WeakPolarHBondContact O-CG 3.27Å; H180-L184 PolarHBondContact O-N 3.39Å |
| 181 | V | 98.4 | Very high | 97 | Very high | 72 Ų | 72 | 95.1 Ų | 95.1 | 44% | 0.436 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.4 | -51.6 | 175.2 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | L177 E178 R183 L184 E185 | L177-V181 WeakPolarHBondContact O-CG2 3.48Å; L177-V181 PolarHBondContact O-N 2.88Å; E178-V181 PolarHBondContact O-N 3.12Å; V181-R183 PolarHBondContact O-N 3.11Å; V181-L184 CarbonylContact O-C 3.59Å; V181-L184 PolarHBondContact O-N 3.05Å; V181-E185 HydrophobicContact CG1-CG 4.13Å; V181-E185 WeakPolarHBondContact O-CB 3.45Å; V181-E185 WeakPolarHBondContact O-CG 3.27Å; V181-E185 PolarHBondContact O-N 2.88Å |
| 182 | R | 98.1 | Very high | 96.6 | Very high | 133 Ų | 133 | 92.7 Ų | 92.7 | 50% | 0.502 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.7 | -35 | 179.7 | -165.1 | -175 | -53.2 | 113.5 | 8.1 | 112.9 | E178 N179 A186 | E178-R182 VanDerWaalsContact O-CB 3.3Å; E178-R182 WeakPolarHBondContact O-CB 3.4Å; E178-R182 PolarHBondContact O-N 3.06Å; N179-R182 PolarHBondContact OD1-NH1 2.9Å; R182-A186 PolarHBondContact O-N 3.38Å; R182-A186 VanDerWaalsContact O-N 3.14Å |
| 183 | R | 98.1 | Very high | 96 | Very high | 146 Ų | 146 | 101 Ų | 101 | 55% | 0.551 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69.1 | -48.9 | 174.9 | -166.5 | -163.9 | -49.5 | 167.7 | 6.9 | 111.4 | N179 H180 V181 E185 A186 E187 | N179-R183 WeakPolarHBondContact O-CB 3.25Å; N179-R183 PolarHBondContact O-N 3.18Å; H180-R183 WeakPolarHBondContact O-CB 3.27Å; H180-R183 PolarHBondContact O-N 2.94Å; V181-R183 PolarHBondContact O-N 3.11Å; R183-E185 VanDerWaalsContact C-N 3.3Å; R183-E185 PolarHBondContact O-N 3.18Å; R183-A186 PolarHBondContact O-N 2.81Å; R183-E187 WeakPolarHBondContact CD-OE1 3.33Å; R183-E187 WeakPolarHBondContact CG-OE1 3.49Å; R183-E187 WeakPolarHBondContact O-CG 3.45Å; R183-E187 PolarHBondContact O-N 3.01Å |
| 184 | L | 98.1 | Very high | 95.6 | Very high | 80 Ų | 80 | 99.4 Ų | 99.4 | 42% | 0.419 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.6 | -37.6 | 176.9 | -70.3 | 176.7 | 0 | 0 | 0 | 111.9 | H180 V181 E187 N188 | H180-L184 WeakPolarHBondContact O-CG 3.27Å; H180-L184 PolarHBondContact O-N 3.39Å; V181-L184 CarbonylContact O-C 3.59Å; V181-L184 PolarHBondContact O-N 3.05Å; L184-E187 PolarHBondContact O-N 3.46Å; L184-N188 WeakPolarHBondContact O-CB 3.41Å; L184-N188 PolarHBondContact O-N 3.35Å |
| 185 | E | 96.8 | Very high | 95.1 | Very high | 120 Ų | 120 | 97.3 Ų | 97.3 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64 | -41.7 | 174.4 | -73.4 | 176.1 | 153.8 | 0 | 0 | 112 | V181 R183 S189 | V181-E185 HydrophobicContact CG1-CG 4.13Å; V181-E185 WeakPolarHBondContact O-CB 3.45Å; V181-E185 WeakPolarHBondContact O-CG 3.27Å; V181-E185 PolarHBondContact O-N 2.88Å; R183-E185 VanDerWaalsContact C-N 3.3Å; R183-E185 PolarHBondContact O-N 3.18Å; E185-S189 VanDerWaalsContact O-CB 3.26Å; E185-S189 WeakPolarHBondContact O-CB 3.32Å; E185-S189 PolarHBondContact O-N 3.39Å |
| 186 | A | 96.1 | Very high | 94.4 | Very high | 52 Ų | 52 | 95.7 Ų | 95.7 | 43% | 0.43 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.8 | -47.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R182 R183 S189 I190 | R182-A186 PolarHBondContact O-N 3.38Å; R182-A186 VanDerWaalsContact O-N 3.14Å; R183-A186 PolarHBondContact O-N 2.81Å; A186-S189 PolarHBondContact O-N 3.19Å; A186-I190 WeakPolarHBondContact O-CG1 3.16Å; A186-I190 PolarHBondContact O-N 3.28Å |
| 187 | E | 95.6 | Very high | 93.6 | Very high | 93 Ų | 93 | 96.2 Ų | 96.2 | 44% | 0.435 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 175.3 | -71.3 | 170.9 | -157.2 | 0 | 0 | 111.4 | R183 L184 S189 I190 L191 | R183-E187 WeakPolarHBondContact CD-OE1 3.33Å; R183-E187 WeakPolarHBondContact CG-OE1 3.49Å; R183-E187 WeakPolarHBondContact O-CG 3.45Å; R183-E187 PolarHBondContact O-N 3.01Å; L184-E187 PolarHBondContact O-N 3.46Å; E187-S189 PolarHBondContact O-N 3.06Å; E187-I190 PolarHBondContact O-N 2.96Å; E187-I190 VanDerWaalsContact O-N 3.13Å; E187-L191 WeakPolarHBondContact O-CG 3.34Å; E187-L191 PolarHBondContact O-N 3.43Å |
| 188 | N | 94.5 | Very high | 92.7 | Very high | 78 Ų | 78 | 96.5 Ų | 96.5 | 42% | 0.417 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 178.1 | -166.5 | -76.9 | 0 | 0 | 0 | 111.7 | L184 I190 L191 K192 | L184-N188 WeakPolarHBondContact O-CB 3.41Å; L184-N188 PolarHBondContact O-N 3.35Å; N188-I190 VanDerWaalsContact C-N 3.32Å; N188-I190 PolarHBondContact O-N 2.71Å; N188-L191 PolarHBondContact O-N 3.04Å; N188-K192 WeakPolarHBondContact O-CB 3.48Å; N188-K192 WeakPolarHBondContact O-CG 3.47Å; N188-K192 PolarHBondContact O-N 2.95Å; N188-K192 VanDerWaalsContact OD1-CD 3.26Å; N188-K192 WeakPolarHBondContact OD1-CD 3.49Å; N188-K192 WeakPolarHBondContact OD1-CE 3.45Å; N188-K192 PolarHBondContact OD1-NZ 3Å |
| 189 | S | 92.1 | Very high | 91.9 | Very high | 39 Ų | 39 | 95 Ų | 95 | 27% | 0.273 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.2 | -30 | 174.1 | 179.9 | 0 | 0 | 0 | 0 | 112.9 | E185 A186 E187 R193 | E185-S189 VanDerWaalsContact O-CB 3.26Å; E185-S189 WeakPolarHBondContact O-CB 3.32Å; E185-S189 PolarHBondContact O-N 3.39Å; A186-S189 PolarHBondContact O-N 3.19Å; E187-S189 PolarHBondContact O-N 3.06Å; S189-R193 WeakPolarHBondContact O-CD 3.49Å; S189-R193 VanDerWaalsContact O-CG 3.23Å; S189-R193 WeakPolarHBondContact O-CG 3.43Å; S189-R193 PolarHBondContact O-NE 3.25Å; S189-R193 PolarHBondContact OG-NE 3.1Å; S189-R193 PolarHBondContact OG-NH2 3.13Å |
| 190 | I | 92.8 | Very high | 91.1 | Very high | 105 Ų | 105 | 94.5 Ų | 94.5 | 54% | 0.538 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -72.4 | -52.3 | 173.4 | -68.5 | 163.7 | 0 | 0 | 0 | 108.8 | A186 E187 N188 K192 R193 T194 | A186-I190 WeakPolarHBondContact O-CG1 3.16Å; A186-I190 PolarHBondContact O-N 3.28Å; E187-I190 PolarHBondContact O-N 2.96Å; E187-I190 VanDerWaalsContact O-N 3.13Å; N188-I190 VanDerWaalsContact C-N 3.32Å; N188-I190 PolarHBondContact O-N 2.71Å; I190-K192 VanDerWaalsContact C-N 3.32Å; I190-K192 PolarHBondContact O-N 3.48Å; I190-R193 WeakPolarHBondContact O-CB 3.38Å; I190-R193 PolarHBondContact O-N 3.15Å; I190-T194 PolarHBondContact O-N 3.37Å; I190-T194 PolarHBondContact O-OG1 3.23Å |
| 191 | L | 91.9 | Very high | 90.2 | Very high | 99 Ų | 99 | 95.9 Ų | 95.9 | 52% | 0.518 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -53.8 | -46 | 178.8 | -69.4 | 169.4 | 0 | 0 | 0 | 112.1 | E187 N188 R193 T194 I195 | E187-L191 WeakPolarHBondContact O-CG 3.34Å; E187-L191 PolarHBondContact O-N 3.43Å; N188-L191 PolarHBondContact O-N 3.04Å; L191-R193 PolarHBondContact O-N 2.82Å; L191-T194 PolarHBondContact O-N 3.45Å; L191-T194 VanDerWaalsContact O-N 3.15Å; L191-I195 HydrophobicContact CB-CD1 4.16Å; L191-I195 WeakPolarHBondContact O-CB 3.48Å; L191-I195 WeakPolarHBondContact O-CD1 3.22Å; L191-I195 WeakPolarHBondContact O-CG1 3.36Å; L191-I195 PolarHBondContact O-N 3.22Å |
| 192 | K | 88.9 | Confident | 89.3 | Confident | 106 Ų | 106 | 98.4 Ų | 98.4 | 46% | 0.461 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.4 | -26.8 | 176.1 | -80.9 | 174.2 | 171.3 | 155.2 | 0 | 114.5 | N188 I190 L200 | N188-K192 WeakPolarHBondContact O-CB 3.48Å; N188-K192 WeakPolarHBondContact O-CG 3.47Å; N188-K192 PolarHBondContact O-N 2.95Å; N188-K192 VanDerWaalsContact OD1-CD 3.26Å; N188-K192 WeakPolarHBondContact OD1-CD 3.49Å; N188-K192 WeakPolarHBondContact OD1-CE 3.45Å; N188-K192 PolarHBondContact OD1-NZ 3Å; I190-K192 VanDerWaalsContact C-N 3.32Å; I190-K192 PolarHBondContact O-N 3.48Å; K192-L200 HydrophobicContact CG-CD1 4.11Å |
| 193 | R | 87.6 | Confident | 88.4 | Confident | 205 Ų | 205 | 96 Ų | 96 | 77% | 0.774 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -87 | -27 | 176.5 | -65.9 | 171.2 | -159.6 | -174.4 | 10.5 | 112.5 | S189 I190 L191 | S189-R193 WeakPolarHBondContact O-CD 3.49Å; S189-R193 VanDerWaalsContact O-CG 3.23Å; S189-R193 WeakPolarHBondContact O-CG 3.43Å; S189-R193 PolarHBondContact O-NE 3.25Å; S189-R193 PolarHBondContact OG-NE 3.1Å; S189-R193 PolarHBondContact OG-NH2 3.13Å; I190-R193 WeakPolarHBondContact O-CB 3.38Å; I190-R193 PolarHBondContact O-N 3.15Å; L191-R193 PolarHBondContact O-N 2.82Å |
| 194 | T | 88.6 | Confident | 87.3 | Confident | 109 Ų | 109 | 94.7 Ų | 94.7 | 67% | 0.669 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -91.2 | -27.6 | -177.3 | -53.3 | 0 | 0 | 0 | 0 | 113.1 | I190 L191 | I190-T194 PolarHBondContact O-N 3.37Å; I190-T194 PolarHBondContact O-OG1 3.23Å; L191-T194 PolarHBondContact O-N 3.45Å; L191-T194 VanDerWaalsContact O-N 3.15Å |
| 195 | I | 88.3 | Confident | 86.1 | Confident | 50 Ų | 50 | 98 Ų | 98 | 26% | 0.256 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -76.9 | 132.3 | 179.8 | -68.3 | 165.9 | 0 | 0 | 0 | 110.3 | L191 T199 L200 | L191-I195 HydrophobicContact CB-CD1 4.16Å; L191-I195 WeakPolarHBondContact O-CB 3.48Å; L191-I195 WeakPolarHBondContact O-CD1 3.22Å; L191-I195 WeakPolarHBondContact O-CG1 3.36Å; L191-I195 PolarHBondContact O-N 3.22Å; I195-T199 HydrophobicContact CG2-CG2 3.99Å; I195-L200 HydrophobicContact CG2-CB 4.28Å; I195-L200 HydrophobicContact CG2-CD1 4.46Å |
| 196 | P | 84.5 | Confident | 84.7 | Confident | 87 Ų | 87 | 100.5 Ų | 100.5 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | trans | -56.7 | 140.1 | 174 | -26.4 | 35.3 | 0 | 0 | 0 | 113 | D198 T199 L200 | P196-D198 PolarHBondContact O-N 3.38Å; P196-D198 VanDerWaalsContact O-N 3.08Å; P196-T199 WeakPolarHBondContact O-CB 3.49Å; P196-T199 PolarHBondContact O-N 3.39Å; P196-L200 PolarHBondContact O-N 2.9Å | ||
| 197 | N | 81.6 | Confident | 82.7 | Confident | 118 Ų | 118 | 108 Ų | 108 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -53.3 | -35.7 | -174.1 | -74.2 | -67.3 | 0 | 0 | 0 | 114.1 | L200 K201 | N197-L200 WeakPolarHBondContact O-CB 3.4Å; N197-L200 PolarHBondContact O-N 3.3Å; N197-K201 VanDerWaalsContact O-CG 3.27Å; N197-K201 WeakPolarHBondContact O-CG 3.28Å; N197-K201 PolarHBondContact O-N 3.24Å |
| 198 | D | 80.3 | Confident | 82 | Confident | 104 Ų | 104 | 108.8 Ų | 108.8 | 56% | 0.556 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -75 | -35.1 | -178.3 | -59.2 | -39.1 | 0 | 0 | 0 | 112.5 | P196 L200 K201 Q202 | P196-D198 PolarHBondContact O-N 3.38Å; P196-D198 VanDerWaalsContact O-N 3.08Å; D198-L200 VanDerWaalsContact C-N 3.35Å; D198-K201 PolarHBondContact O-N 3.17Å; D198-K201 IonicContact OD1-NZ 2.75Å; D198-K201 PolarHBondContact OD1-NZ 3.38Å; D198-Q202 WeakPolarHBondContact O-CG 3.34Å; D198-Q202 PolarHBondContact O-N 3.01Å; D198-Q202 VanDerWaalsContact O-N 3.14Å |
| 199 | T | 82 | Confident | 81.4 | Confident | 68 Ų | 68 | 110.4 Ų | 110.4 | 42% | 0.417 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.1 | -40.2 | 169.2 | -49.3 | 0 | 0 | 0 | 0 | 110.9 | I195 P196 Q202 L203 | I195-T199 HydrophobicContact CG2-CG2 3.99Å; P196-T199 WeakPolarHBondContact O-CB 3.49Å; P196-T199 PolarHBondContact O-N 3.39Å; T199-Q202 PolarHBondContact O-N 2.69Å; T199-L203 WeakPolarHBondContact O-CG 3.45Å; T199-L203 PolarHBondContact O-N 3.48Å; T199-L203 VanDerWaalsContact O-N 3.12Å |
| 200 | L | 81.2 | Confident | 80.8 | Confident | 32 Ų | 32 | 114.4 Ų | 114.4 | 17% | 0.168 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -62.2 | -44.2 | 176.8 | -165.4 | 78.5 | 0 | 0 | 0 | 112 | K192 I195 P196 N197 D198 Q202 L203 H204 | K192-L200 HydrophobicContact CG-CD1 4.11Å; I195-L200 HydrophobicContact CG2-CB 4.28Å; I195-L200 HydrophobicContact CG2-CD1 4.46Å; P196-L200 PolarHBondContact O-N 2.9Å; N197-L200 WeakPolarHBondContact O-CB 3.4Å; N197-L200 PolarHBondContact O-N 3.3Å; D198-L200 VanDerWaalsContact C-N 3.35Å; L200-Q202 PolarHBondContact O-N 3.4Å; L200-L203 PolarHBondContact O-N 3.03Å; L200-H204 PolarHBondContact O-N 2.94Å |
| 201 | K | 80.1 | Confident | 80.1 | Confident | 117 Ų | 117 | 114.9 Ų | 114.9 | 51% | 0.509 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59 | -44.1 | 174.4 | -69.4 | 165.4 | -162.7 | 163 | 0 | 111.7 | N197 D198 L203 H204 L205 | N197-K201 VanDerWaalsContact O-CG 3.27Å; N197-K201 WeakPolarHBondContact O-CG 3.28Å; N197-K201 PolarHBondContact O-N 3.24Å; D198-K201 PolarHBondContact O-N 3.17Å; D198-K201 IonicContact OD1-NZ 2.75Å; D198-K201 PolarHBondContact OD1-NZ 3.38Å; K201-L203 VanDerWaalsContact C-N 3.26Å; K201-L203 PolarHBondContact O-N 3.14Å; K201-H204 PolarHBondContact O-N 3.24Å; K201-L205 WeakPolarHBondContact O-CG 3.25Å; K201-L205 PolarHBondContact O-N 3.47Å; K201-L205 VanDerWaalsContact O-N 3.1Å |
| 202 | Q | 78.9 | Confident | 79.3 | Confident | 126 Ų | 126 | 115.9 Ų | 115.9 | 59% | 0.589 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.9 | -29.4 | 177.7 | -72.3 | -179.2 | 13.6 | 0 | 0 | 113.4 | D198 T199 L200 | D198-Q202 WeakPolarHBondContact O-CG 3.34Å; D198-Q202 PolarHBondContact O-N 3.01Å; D198-Q202 VanDerWaalsContact O-N 3.14Å; T199-Q202 PolarHBondContact O-N 2.69Å; L200-Q202 PolarHBondContact O-N 3.4Å |
| 203 | L | 78.1 | Confident | 78.7 | Confident | 83 Ų | 83 | 116.6 Ų | 116.6 | 44% | 0.435 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -75.5 | -43.1 | 173.9 | -68.1 | 171 | 0 | 0 | 0 | 111.7 | T199 L200 K201 L205 K206 L207 | T199-L203 WeakPolarHBondContact O-CG 3.45Å; T199-L203 PolarHBondContact O-N 3.48Å; T199-L203 VanDerWaalsContact O-N 3.12Å; L200-L203 PolarHBondContact O-N 3.03Å; K201-L203 VanDerWaalsContact C-N 3.26Å; K201-L203 PolarHBondContact O-N 3.14Å; L203-L205 PolarHBondContact O-N 3.48Å; L203-K206 PolarHBondContact O-N 3.38Å; L203-L207 WeakPolarHBondContact O-CD1 3.31Å |
| 204 | H | 76.1 | Confident | 78 | Confident | 118 Ų | 118 | 110.3 Ų | 110.3 | 55% | 0.546 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.3 | -20.6 | 175.4 | -71.9 | 173.5 | 0 | 0 | 0 | 114 | L200 K201 K206 | L200-H204 PolarHBondContact O-N 2.94Å; K201-H204 PolarHBondContact O-N 3.24Å; H204-K206 VanDerWaalsContact C-N 3.3Å |
| 205 | L | 73.4 | Confident | 77.2 | Confident | 148 Ų | 148 | 110.4 Ų | 110.4 | 78% | 0.775 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 0.9 | 174 | -75.7 | 161.7 | 0 | 0 | 0 | 113.8 | K201 L203 | K201-L205 WeakPolarHBondContact O-CG 3.25Å; K201-L205 PolarHBondContact O-N 3.47Å; K201-L205 VanDerWaalsContact O-N 3.1Å; L203-L205 PolarHBondContact O-N 3.48Å |
| 206 | K | 65.6 | Low | 76.3 | Confident | 174 Ų | 174 | 115.4 Ų | 115.4 | 76% | 0.757 | 59% | 0.587 | S | S | * | * | trans | -123.7 | 1.3 | -174.4 | -74.5 | -176.4 | 175.7 | -178.6 | 0 | 114.8 | L203 H204 | L203-K206 PolarHBondContact O-N 3.38Å; H204-K206 VanDerWaalsContact C-N 3.3Å | ||
| 207 | L | 54.2 | Low | 75.6 | Confident | 210 Ų | 210 | 118 Ų | 118 | 100% | 1.099 | 59% | 0.589 | S | S | * | * | trans | -110.4 | 0 | 168 | -79.4 | 97.7 | 0 | 0 | 0 | 109.9 | L203 | L203-L207 WeakPolarHBondContact O-CD1 3.31Š|
Retrieved 207 of 207 residues in 63.1 ms
(Link to these results)