| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.3 | Very low | 33.5 | Very low | 244 Ų | 244 | 171.4 Ų | 171.4 | 100% | 1.202 | 86% | 0.863 | S | S | * | * | 0 | 106.1 | 0 | -90.6 | 161 | 150.6 | 0 | 0 | 108.8 | |||||
| 2 | T | 33.2 | Very low | 33.2 | Very low | 140 Ų | 140 | 167.1 Ų | 167.1 | 86% | 0.859 | 85% | 0.852 | S | S | * | * | trans | -2.8 | 118.4 | 169.2 | -22.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 3 | K | 34.1 | Very low | 33.1 | Very low | 202 Ų | 202 | 164.2 Ų | 164.2 | 88% | 0.878 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 125.5 | 156.9 | -73.8 | 179 | 175.2 | 178.4 | 0 | 108.1 | ||
| 4 | M | 35.1 | Very low | 32.9 | Very low | 175 Ų | 175 | 158.6 Ų | 158.6 | 86% | 0.862 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 116.1 | 178.5 | -155.4 | -174.6 | 76.4 | 0 | 0 | 109.4 | ||
| 5 | L | 36.5 | Very low | 33 | Very low | 144 Ų | 144 | 158.6 Ų | 158.6 | 75% | 0.754 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 138.8 | 163.6 | -80.9 | 152.2 | 0 | 0 | 0 | 108.9 | F7 | L5-F7 HydrophobicContact CB-CD2 4.33Å; L5-F7 HydrophobicContact CB-CE2 4.26Å; L5-F7 HydrophobicContact CD1-CE2 4.39Å; L5-F7 HydrophobicContact CD2-CE2 4.39Å |
| 6 | A | 34.7 | Very low | 32.7 | Very low | 94 Ų | 94 | 159 Ų | 159 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | trans | -123.4 | 113.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 7 | F | 32.4 | Very low | 32.6 | Very low | 164 Ų | 164 | 159.3 Ų | 159.3 | 72% | 0.719 | 83% | 0.826 | S | S | * | * | trans | -89.3 | 152 | 176.4 | -85.7 | -96.2 | 0 | 0 | 0 | 111.1 | L5 | L5-F7 HydrophobicContact CB-CD2 4.33Å; L5-F7 HydrophobicContact CB-CE2 4.26Å; L5-F7 HydrophobicContact CD1-CE2 4.39Å; L5-F7 HydrophobicContact CD2-CE2 4.39Å | ||
| 8 | Q | 30 | Very low | 32.4 | Very low | 176 Ų | 176 | 159.4 Ų | 159.4 | 82% | 0.822 | 83% | 0.828 | S | S | * | * | trans | 70.8 | 138.1 | 150.7 | -76.5 | 169.9 | -27.1 | 0 | 0 | 117.8 | ||||
| 9 | T | 30.9 | Very low | 32.5 | Very low | 131 Ų | 131 | 154.6 Ų | 154.6 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | cis | -152 | 128.3 | 46.3 | 41.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 10 | L | 32.6 | Very low | 32.7 | Very low | 172 Ų | 172 | 152.2 Ų | 152.2 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | trans | -91.1 | 124.1 | 161.6 | -82.7 | 159.8 | 0 | 0 | 0 | 107.6 | V12 | L10-V12 PolarHBondContact O-N 3.27Š| ||
| 11 | R | 29.3 | Very low | 32.6 | Very low | 243 Ų | 243 | 149.8 Ų | 149.8 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | trans | -73 | 109.5 | 168.3 | -87.3 | -174 | 177.5 | -180 | -0.1 | 108.5 | ||||
| 12 | V | 29.7 | Very low | 32.2 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -66.8 | 125.4 | 166 | 176 | 0 | 0 | 0 | 0 | 108.3 | L10 | L10-V12 PolarHBondContact O-N 3.27Š| ||
| 13 | V | 32.1 | Very low | 32 | Very low | 129 Ų | 129 | 145 Ų | 145 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | trans | -114.4 | 97.7 | 157 | -178.2 | 0 | 0 | 0 | 0 | 105.9 | L15 | V13-L15 PolarHBondContact O-N 3.28Š| ||
| 14 | S | 29.7 | Very low | 32.4 | Very low | 86 Ų | 86 | 143.6 Ų | 143.6 | 60% | 0.601 | 79% | 0.794 | S | S | * | * | trans | -63.6 | 125.1 | 166.1 | -69 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 15 | L | 34.1 | Very low | 32.1 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -115.4 | 97.2 | 159 | -154.2 | 71.7 | 0 | 0 | 0 | 107.3 | V13 I17 | V13-L15 PolarHBondContact O-N 3.28Å; L15-I17 PolarHBondContact O-N 2.65Å | ||
| 16 | E | 28.8 | Very low | 31.8 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | trans | -52.1 | 114.7 | 170.8 | -66.6 | -72.3 | 150.7 | 0 | 0 | 109.3 | L18 | E16-L18 PolarHBondContact O-N 2.95Š| ||
| 17 | I | 30.7 | Very low | 32.2 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -79.8 | 96.8 | 169.7 | -61.3 | 174.7 | 0 | 0 | 0 | 106.3 | L15 G19 | L15-I17 PolarHBondContact O-N 2.65Å; I17-G19 PolarHBondContact O-N 3.27Å | ||
| 18 | L | 30 | Very low | 32 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -72 | 96.8 | 168.8 | -157.1 | 84.8 | 0 | 0 | 0 | 108.2 | E16 S20 | E16-L18 PolarHBondContact O-N 2.95Å; L18-S20 PolarHBondContact O-N 2.8Å | ||
| 19 | G | 33.5 | Very low | 32.5 | Very low | 67 Ų | 67 | 140.4 Ų | 140.4 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | -57.9 | 130.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | I17 | I17-G19 PolarHBondContact O-N 3.27Š| ||
| 20 | S | 37.3 | Very low | 32.6 | Very low | 106 Ų | 106 | 144 Ų | 144 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -111 | 138.2 | 169.4 | -119.4 | 0 | 0 | 0 | 0 | 109.7 | L18 | L18-S20 PolarHBondContact O-N 2.8Š| ||
| 21 | P | 30.7 | Very low | 32.6 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | trans | -76.3 | 138.5 | -175.6 | 30.1 | -31.5 | 0 | 0 | 0 | 111.1 | N23 | P21-N23 PolarHBondContact O-N 2.87Š| ||
| 22 | C | 31.6 | Very low | 32.8 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 91% | 0.912 | 78% | 0.776 | S | S | * | * | trans | -57.3 | 116.8 | 167.9 | -72 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 23 | N | 28.7 | Very low | 33 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -114.7 | 117.2 | 160.3 | -76.9 | -51.2 | 0 | 0 | 0 | 108.6 | P21 L25 | P21-N23 PolarHBondContact O-N 2.87Å; N23-L25 PolarHBondContact O-N 2.95Å | ||
| 24 | L | 41.3 | Very low | 33.2 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | trans | -54.4 | 123 | 162.1 | -85.1 | 136.3 | 0 | 0 | 0 | 109.2 | ||||
| 25 | L | 29.8 | Very low | 33.5 | Very low | 169 Ų | 169 | 146 Ų | 146 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | trans | -172.2 | 134.3 | 140.5 | -103.9 | 161.5 | 0 | 0 | 0 | 112.5 | N23 | N23-L25 PolarHBondContact O-N 2.95Š| ||
| 26 | A | 30.5 | Very low | 33.4 | Very low | 78 Ų | 78 | 144.1 Ų | 144.1 | 65% | 0.645 | 79% | 0.793 | S | S | * | * | trans | 62.1 | 107.6 | 145.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | N28 | A26-N28 PolarHBondContact O-N 3.02Š| ||
| 27 | N | 42.5 | Very low | 34 | Very low | 167 Ų | 167 | 142 Ų | 142 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | 10.1 | 94.1 | 139.8 | -62.4 | -25 | 0 | 0 | 0 | 115 | ||||
| 28 | N | 28.8 | Very low | 34.3 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | -151.7 | 134.2 | 155.8 | -126.5 | -28.6 | 0 | 0 | 0 | 111.3 | A26 Y30 | A26-N28 PolarHBondContact O-N 3.02Å; N28-Y30 WeakPolarHBondContact O-CD2 3.12Å; N28-Y30 PolarHBondContact O-N 3.02Å; N28-Y30 VanDerWaalsContact O-N 3.13Å | ||
| 29 | V | 40.9 | Very low | 35 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -65.8 | 105.3 | -179.1 | 175.2 | 0 | 0 | 0 | 0 | 108.5 | S31 | V29-S31 PolarHBondContact O-N 3.26Š| ||
| 30 | Y | 32.1 | Very low | 35.3 | Very low | 208 Ų | 208 | 143.5 Ų | 143.5 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | trans | -80.8 | 102.1 | 171.3 | -80.7 | -84.1 | 0 | 0 | 0 | 109.6 | N28 I32 | N28-Y30 WeakPolarHBondContact O-CD2 3.12Å; N28-Y30 PolarHBondContact O-N 3.02Å; N28-Y30 VanDerWaalsContact O-N 3.13Å; Y30-I32 PolarHBondContact O-N 3.45Å | ||
| 31 | S | 33 | Very low | 35.6 | Very low | 100 Ų | 100 | 146.8 Ų | 146.8 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | trans | -80.1 | 100.8 | 161.9 | 46.3 | 0 | 0 | 0 | 0 | 108.6 | V29 T33 | V29-S31 PolarHBondContact O-N 3.26Å; S31-T33 PolarHBondContact O-N 3.06Å | ||
| 32 | I | 33.3 | Very low | 36.1 | Very low | 138 Ų | 138 | 148.8 Ų | 148.8 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | trans | -87 | 94.8 | 171.8 | -59.6 | 177.5 | 0 | 0 | 0 | 107.6 | Y30 K34 | Y30-I32 PolarHBondContact O-N 3.45Å; I32-K34 HydrophobicContact CG2-CG 4.19Å; I32-K34 PolarHBondContact O-N 3.13Å | ||
| 33 | T | 33.5 | Very low | 36.5 | Very low | 124 Ų | 124 | 147.7 Ų | 147.7 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | trans | -83.4 | 87.9 | 173 | -23.8 | 0 | 0 | 0 | 0 | 109 | S31 | S31-T33 PolarHBondContact O-N 3.06Š| ||
| 34 | K | 36.7 | Very low | 37.3 | Very low | 185 Ų | 185 | 147.2 Ų | 147.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -86.2 | 112 | 163.1 | -80.7 | -167.1 | 177.6 | -176.8 | 0 | 108.6 | I32 C36 | I32-K34 HydrophobicContact CG2-CG 4.19Å; I32-K34 PolarHBondContact O-N 3.13Å; K34-C36 PolarHBondContact O-N 3.45Å | ||
| 35 | R | 34.8 | Very low | 37.3 | Very low | 245 Ų | 245 | 146.2 Ų | 146.2 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | trans | -70.7 | 111.4 | 171.6 | -73.5 | -176.5 | -174.5 | -178.3 | 1.9 | 109 | ||||
| 36 | C | 32.5 | Very low | 37.9 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -114.2 | 116.8 | 162.7 | -85.2 | 0 | 0 | 0 | 0 | 108.3 | K34 L38 | K34-C36 PolarHBondContact O-N 3.45Å; C36-L38 PolarHBondContact O-N 3.12Å | ||
| 37 | S | 42.1 | Very low | 38.7 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -86.7 | 89.2 | 173.9 | 51 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 38 | L | 37.7 | Very low | 38.8 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | -138.1 | 123.1 | 163.7 | -70.8 | 176.8 | 0 | 0 | 0 | 110 | C36 S40 | C36-L38 PolarHBondContact O-N 3.12Å; L38-S40 PolarHBondContact O-N 2.9Å; L38-S40 VanDerWaalsContact O-N 3.12Å | ||
| 39 | I | 44.8 | Very low | 39.4 | Very low | 179 Ų | 179 | 145.4 Ų | 145.4 | 92% | 0.918 | 77% | 0.766 | S | S | * | * | trans | -67 | 104.7 | 178.3 | -62.1 | 163.1 | 0 | 0 | 0 | 107 | ||||
| 40 | S | 39.9 | Very low | 39.6 | Very low | 86 Ų | 86 | 142.9 Ų | 142.9 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | trans | -115.2 | 119.5 | 168 | 175.3 | 0 | 0 | 0 | 0 | 107.4 | L38 Q42 | L38-S40 PolarHBondContact O-N 2.9Å; L38-S40 VanDerWaalsContact O-N 3.12Å; S40-Q42 PolarHBondContact O-N 2.8Å | ||
| 41 | L | 42.2 | Very low | 40.2 | Very low | 175 Ų | 175 | 138.9 Ų | 138.9 | 92% | 0.916 | 76% | 0.756 | S | S | * | * | trans | -66 | 79.9 | 167 | -81.3 | 157.2 | 0 | 0 | 0 | 107.5 | S43 | L41-S43 PolarHBondContact O-N 2.58Š| ||
| 42 | Q | 42 | Very low | 41 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 67% | 0.673 | 76% | 0.755 | S | S | * | * | trans | -73.3 | 111 | 171.1 | -74.3 | -180 | -39.5 | 0 | 0 | 107.5 | S40 Q44 | S40-Q42 PolarHBondContact O-N 2.8Å; Q42-Q44 HydrophobicContact CB-CG 4.29Å; Q42-Q44 PolarHBondContact O-N 3.43Å | ||
| 43 | S | 40.6 | Very low | 42.2 | Very low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -60.2 | 93.2 | 153.8 | 45.8 | 0 | 0 | 0 | 0 | 106.9 | L41 I45 | L41-S43 PolarHBondContact O-N 2.58Å; S43-I45 PolarHBondContact O-N 3.06Å | ||
| 44 | Q | 43.9 | Very low | 43.2 | Very low | 137 Ų | 137 | 143.7 Ų | 143.7 | 64% | 0.64 | 76% | 0.755 | S | S | * | * | trans | -69.8 | 90.8 | -179.3 | -70 | 178.1 | 23 | 0 | 0 | 108.8 | Q42 L46 | Q42-Q44 HydrophobicContact CB-CG 4.29Å; Q42-Q44 PolarHBondContact O-N 3.43Å; Q44-L46 HydrophobicContact CB-CD1 4.38Å; Q44-L46 HydrophobicContact CB-CG 4.15Å; Q44-L46 PolarHBondContact O-N 2.98Å | ||
| 45 | I | 42.2 | Very low | 44.5 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | -76 | 80.7 | 153.2 | -56.2 | 178.3 | 0 | 0 | 0 | 105 | S43 R47 | S43-I45 PolarHBondContact O-N 3.06Å; I45-R47 PolarHBondContact O-N 2.89Å | ||
| 46 | L | 41.4 | Very low | 45.9 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | trans | -66.5 | 100.4 | 167.2 | -78.2 | 160.2 | 0 | 0 | 0 | 106.3 | Q44 P48 | Q44-L46 HydrophobicContact CB-CD1 4.38Å; Q44-L46 HydrophobicContact CB-CG 4.15Å; Q44-L46 PolarHBondContact O-N 2.98Å; L46-P48 VanDerWaalsContact O-CD 3.24Å; L46-P48 WeakPolarHBondContact O-CD 3.24Å | ||
| 47 | R | 47.6 | Very low | 47.5 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 48% | 0.479 | 72% | 0.723 | S | S | . | * | trans | -64.1 | 116.1 | 159 | -68.2 | -172.2 | -172.7 | -159.7 | 8.1 | 105.5 | I45 L49 E129 | I45-R47 PolarHBondContact O-N 2.89Å; R47-L49 PolarHBondContact O-N 2.99Å; R47-E129 IonicContact CZ-OE1 3.15Å; R47-E129 IonicContact CZ-OE2 2.99Å; R47-E129 IonicContact NE-OE2 3.53Å; R47-E129 IonicContact NH1-OE1 2.8Å; R47-E129 PolarHBondContact NH1-OE1 2.96Å; R47-E129 IonicContact NH1-OE2 2.58Å; R47-E129 PolarHBondContact NH1-OE2 2.79Å; R47-E129 VanDerWaalsContact NH2-CD 3.35Å; R47-E129 IonicContact NH2-OE1 2.9Å; R47-E129 PolarHBondContact NH2-OE1 3.47Å; R47-E129 IonicContact NH2-OE2 3.51Å | ||
| 48 | P | 44.3 | Very low | 48.7 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 75% | 0.753 | 71% | 0.705 | S | S | * | * | trans | -60.8 | 115.7 | 174.6 | 23.2 | -28.9 | 0 | 0 | 0 | 107 | L46 S50 | L46-P48 VanDerWaalsContact O-CD 3.24Å; L46-P48 WeakPolarHBondContact O-CD 3.24Å; P48-S50 PolarHBondContact O-N 3.45Å | ||
| 49 | L | 42.5 | Very low | 50.2 | Low | 160 Ų | 160 | 128.5 Ų | 128.5 | 84% | 0.838 | 69% | 0.694 | S | S | * | * | trans | -54.1 | 99.4 | 162.4 | -100.6 | 147.7 | 0 | 0 | 0 | 106 | R47 S51 | R47-L49 PolarHBondContact O-N 2.99Å; L49-S51 PolarHBondContact O-N 2.8Å | ||
| 50 | S | 45.5 | Very low | 51.6 | Low | 79 Ų | 79 | 129.2 Ų | 129.2 | 55% | 0.552 | 69% | 0.69 | S | S | * | * | trans | -61.7 | 108.4 | -174.4 | -178 | 0 | 0 | 0 | 0 | 108.3 | P48 H52 | P48-S50 PolarHBondContact O-N 3.45Å; S50-H52 PolarHBondContact O-N 3.07Å; S50-H52 WeakPolarHBondContact OG-CB 3.41Å; S50-H52 PolarHBondContact OG-N 2.77Å | ||
| 51 | S | 44.5 | Very low | 53.6 | Low | 125 Ų | 125 | 130 Ų | 130 | 87% | 0.874 | 69% | 0.691 | S | S | * | * | trans | -76.4 | 9.9 | 170.3 | 64.2 | 0 | 0 | 0 | 0 | 112.1 | L49 | L49-S51 PolarHBondContact O-N 2.8Š| ||
| 52 | H | 48.9 | Very low | 55.2 | Low | 146 Ų | 146 | 126.2 Ų | 126.2 | 68% | 0.676 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -70.2 | 134 | 174.5 | -88.1 | -75.3 | 0 | 0 | 0 | 110.1 | S50 H54 | S50-H52 PolarHBondContact O-N 3.07Å; S50-H52 WeakPolarHBondContact OG-CB 3.41Å; S50-H52 PolarHBondContact OG-N 2.77Å; H52-H54 VanDerWaalsContact C-N 3.27Å; H52-H54 PolarHBondContact O-N 3Å |
| 53 | Q | 58.8 | Low | 56.7 | Low | 178 Ų | 178 | 123.9 Ų | 123.9 | 83% | 0.832 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -52.5 | 93.8 | 163.2 | -76 | 176.7 | -48.2 | 0 | 0 | 109.1 | ||
| 54 | H | 55.1 | Low | 58.2 | Low | 138 Ų | 138 | 129.6 Ų | 129.6 | 64% | 0.639 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 61.2 | 143.2 | -176.9 | -54.1 | -75.1 | 0 | 0 | 0 | 115.1 | H52 V58 | H52-H54 VanDerWaalsContact C-N 3.27Å; H52-H54 PolarHBondContact O-N 3Å; H54-V58 HydrophobicContact CB-CB 4.44Å |
| 55 | N | 63.1 | Low | 59.9 | Low | 91 Ų | 91 | 130.6 Ų | 130.6 | 49% | 0.487 | 68% | 0.682 | S | S | . | * | trans | -55.2 | 133.6 | 170.3 | 179.9 | -41.5 | 0 | 0 | 0 | 108.3 | K57 V58 | N55-K57 PolarHBondContact O-N 3.24Å; N55-K57 VanDerWaalsContact OD1-CB 3.3Å; N55-K57 WeakPolarHBondContact OD1-CB 3.48Å; N55-K57 PolarHBondContact OD1-N 3.28Å; N55-V58 HydrophobicContact CB-CG2 4.08Å; N55-V58 WeakPolarHBondContact O-CB 3.3Å; N55-V58 PolarHBondContact O-N 3.38Å | ||
| 56 | P | 64.9 | Low | 61.8 | Low | 126 Ų | 126 | 128.9 Ų | 128.9 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -17.8 | -178.7 | 23.6 | -34.7 | 0 | 0 | 0 | 113.8 | V58 | P56-V58 VanDerWaalsContact C-N 3.3Š|
| 57 | K | 65.3 | Low | 63.9 | Low | 127 Ų | 127 | 124.8 Ų | 124.8 | 55% | 0.552 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -5.8 | 172.8 | -59.4 | -167.7 | 174.4 | -162.2 | 0 | 113.9 | N55 D117 V121 | N55-K57 PolarHBondContact O-N 3.24Å; N55-K57 VanDerWaalsContact OD1-CB 3.3Å; N55-K57 WeakPolarHBondContact OD1-CB 3.48Å; N55-K57 PolarHBondContact OD1-N 3.28Å; K57-D117 PolarHBondContact NZ-O 2.91Å; K57-V121 VanDerWaalsContact NZ-CG2 3.33Å |
| 58 | V | 67.4 | Low | 65.8 | Low | 74 Ų | 74 | 121.6 Ų | 121.6 | 45% | 0.448 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -94.9 | 121 | 174 | 179 | 0 | 0 | 0 | 0 | 108.8 | H54 N55 P56 K60 | H54-V58 HydrophobicContact CB-CB 4.44Å; N55-V58 HydrophobicContact CB-CG2 4.08Å; N55-V58 WeakPolarHBondContact O-CB 3.3Å; N55-V58 PolarHBondContact O-N 3.38Å; P56-V58 VanDerWaalsContact C-N 3.3Å; V58-K60 PolarHBondContact O-N 3.26Å |
| 59 | P | 69 | Low | 67.9 | Low | 93 Ų | 93 | 121.2 Ų | 121.2 | 60% | 0.604 | 65% | 0.645 | S | S | * | * | trans | -59.9 | 134.2 | 177.4 | -23.2 | 33.4 | 0 | 0 | 0 | 111.9 | V61 | P59-V61 VanDerWaalsContact C-N 3.28Å; P59-V61 WeakPolarHBondContact CB-O 3.37Å; P59-V61 PolarHBondContact O-N 3.31Å | ||
| 60 | K | 75.4 | Confident | 70.2 | Confident | 194 Ų | 194 | 121.7 Ų | 121.7 | 84% | 0.843 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -74.9 | -17.9 | 178.4 | -65.8 | -175.7 | 179.5 | -179.3 | 0 | 113.6 | V58 | V58-K60 PolarHBondContact O-N 3.26Š|
| 61 | V | 80.6 | Confident | 72.2 | Confident | 101 Ų | 101 | 123.7 Ų | 123.7 | 61% | 0.612 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -134.2 | 140.4 | 179 | 179.9 | 0 | 0 | 0 | 0 | 106.4 | P59 T63 | P59-V61 VanDerWaalsContact C-N 3.28Å; P59-V61 WeakPolarHBondContact CB-O 3.37Å; P59-V61 PolarHBondContact O-N 3.31Å; V61-T63 PolarHBondContact O-N 3.17Å; V61-T63 VanDerWaalsContact O-N 3.11Å |
| 62 | P | 77 | Confident | 74.3 | Confident | 96 Ų | 96 | 118.6 Ų | 118.6 | 62% | 0.623 | 61% | 0.606 | S | S | * | * | trans | -62.1 | 114.9 | 176.7 | 25 | -34.3 | 0 | 0 | 0 | 110.2 | ||||
| 63 | T | 73.4 | Confident | 76.3 | Confident | 95 Ų | 95 | 114 Ų | 114 | 58% | 0.583 | 59% | 0.589 | S | S | * | * | trans | -102 | 103.8 | 173 | -56.5 | 0 | 0 | 0 | 0 | 107.5 | V61 E65 | V61-T63 PolarHBondContact O-N 3.17Å; V61-T63 VanDerWaalsContact O-N 3.11Å; T63-E65 VanDerWaalsContact C-N 3.25Å; T63-E65 HydrophobicContact CG2-CB 4.04Å; T63-E65 HydrophobicContact CG2-CG 3.94Å; T63-E65 PolarHBondContact O-N 3.38Å | ||
| 64 | W | 70.9 | Confident | 77.9 | Confident | 232 Ų | 232 | 113.3 Ų | 113.3 | 88% | 0.879 | 59% | 0.586 | S | S | * | * | trans | -91.4 | 25.3 | 178.7 | -63.4 | 106.4 | 0 | 0 | 0 | 112.7 | ||||
| 65 | E | 80.1 | Confident | 79.6 | Confident | 158 Ų | 158 | 110.4 Ų | 110.4 | 74% | 0.738 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 126.4 | -178 | -66.8 | -178.9 | -178.6 | 0 | 0 | 109.8 | T63 | T63-E65 VanDerWaalsContact C-N 3.25Å; T63-E65 HydrophobicContact CG2-CB 4.04Å; T63-E65 HydrophobicContact CG2-CG 3.94Å; T63-E65 PolarHBondContact O-N 3.38Å |
| 66 | P | 82 | Confident | 80.8 | Confident | 117 Ų | 117 | 109.1 Ų | 109.1 | 76% | 0.76 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 141.8 | 175.8 | 27.3 | -32.4 | 0 | 0 | 0 | 109.9 | ||
| 67 | V | 85.1 | Confident | 81.9 | Confident | 48 Ų | 48 | 112 Ų | 112 | 29% | 0.291 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 129.1 | 177.3 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | L72 Q112 V115 | V67-L72 HydrophobicContact CG1-CD1 4.41Å; V67-L72 HydrophobicContact CG1-CD2 3.86Å; V67-L72 HydrophobicContact CG1-CG 4.06Å; V67-Q112 HydrophobicContact CG2-CB 4.49Å; V67-Q112 HydrophobicContact CG2-CG 4.45Å; V67-V115 HydrophobicContact CG1-CB 4.47Å; V67-V115 HydrophobicContact CG1-CG2 3.69Å |
| 68 | P | 88.4 | Confident | 83.1 | Confident | 59 Ų | 59 | 106.9 Ų | 106.9 | 38% | 0.383 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 136.4 | 176.5 | -23.2 | 32.2 | 0 | 0 | 0 | 112.4 | E70 Q71 | P68-E70 VanDerWaalsContact CB-OE2 3.28Å; P68-E70 WeakPolarHBondContact CB-OE2 3.49Å; P68-E70 PolarHBondContact O-N 3.2Å; P68-Q71 HydrophobicContact CB-CG 4.36Å; P68-Q71 PolarHBondContact O-N 3.25Å |
| 69 | E | 88.7 | Confident | 84.3 | Confident | 109 Ų | 109 | 106.9 Ų | 106.9 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | G | 310 helix | trans | -62.5 | -27.8 | -176.7 | -170.2 | 71.3 | -175.5 | 0 | 0 | 112 | Q71 L72 R108 | E69-Q71 VanDerWaalsContact C-N 3.27Å; E69-Q71 PolarHBondContact O-N 3.36Å; E69-L72 PolarHBondContact O-N 3.28Å; E69-R108 IonicContact OE1-CZ 3.64Å; E69-R108 IonicContact OE1-NE 3.69Å; E69-R108 IonicContact OE1-NH2 2.76Å; E69-R108 PolarHBondContact OE1-NH2 3.3Å; E69-R108 IonicContact OE2-CZ 3.28Å; E69-R108 IonicContact OE2-NE 2.72Å; E69-R108 IonicContact OE2-NH2 3.4Å; E69-R108 PolarHBondContact OE2-NH2 3.49Å |
| 70 | E | 89.3 | Confident | 85.1 | Confident | 169 Ų | 169 | 104.5 Ų | 104.5 | 79% | 0.79 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -70.2 | -22.5 | -179 | -56 | 77.7 | -167.6 | 0 | 0 | 113.3 | P68 | P68-E70 VanDerWaalsContact CB-OE2 3.28Å; P68-E70 WeakPolarHBondContact CB-OE2 3.49Å; P68-E70 PolarHBondContact O-N 3.2Å |
| 71 | Q | 87.4 | Confident | 85.9 | Confident | 122 Ų | 122 | 99.5 Ų | 99.5 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -87.7 | -14.9 | 179.2 | -64.8 | -177.7 | -26.6 | 0 | 0 | 112.5 | P68 E69 V115 | P68-Q71 HydrophobicContact CB-CG 4.36Å; P68-Q71 PolarHBondContact O-N 3.25Å; E69-Q71 VanDerWaalsContact C-N 3.27Å; E69-Q71 PolarHBondContact O-N 3.36Å; Q71-V115 HydrophobicContact CB-CG2 4.19Å |
| 72 | L | 89.8 | Confident | 86.4 | Confident | 17 Ų | 17 | 98.1 Ų | 98.1 | 9% | 0.089 | 51% | 0.514 | C | S | . | . | S | Bend | trans | -88 | 151.9 | -176.2 | -65.8 | 177.3 | 0 | 0 | 0 | 110.9 | V67 E69 D111 Q112 V115 | V67-L72 HydrophobicContact CG1-CD1 4.41Å; V67-L72 HydrophobicContact CG1-CD2 3.86Å; V67-L72 HydrophobicContact CG1-CG 4.06Å; E69-L72 PolarHBondContact O-N 3.28Å; L72-D111 HydrophobicContact CD2-CB 4.5Å; L72-Q112 HydrophobicContact CD2-CG 4.28Å; L72-V115 HydrophobicContact CD2-CG2 3.91Å |
| 73 | P | 91.2 | Very high | 87 | Confident | 50 Ų | 50 | 93.7 Ų | 93.7 | 33% | 0.325 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 162.8 | 171 | 28.1 | -36.1 | 0 | 0 | 0 | 110.9 | R108 D111 | P73-R108 PolarHBondContact O-NH1 3.34Å; P73-D111 HydrophobicContact CG-CB 3.75Å |
| 74 | Q | 91.7 | Very high | 87.7 | Confident | 164 Ų | 164 | 90.6 Ų | 90.6 | 77% | 0.766 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 138.8 | 176.8 | -67.6 | -63.9 | -44.7 | 0 | 0 | 110.6 | T76 | Q74-T76 PolarHBondContact O-N 3.11Š|
| 75 | P | 90.1 | Very high | 88.6 | Confident | 77 Ų | 77 | 86.2 Ų | 86.2 | 50% | 0.5 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 127 | 177.5 | -28 | 34.9 | 0 | 0 | 0 | 111.9 | K77 | P75-K77 PolarHBondContact O-N 3.47Š|
| 76 | T | 88.4 | Confident | 89.2 | Confident | 63 Ų | 63 | 81.7 Ų | 81.7 | 39% | 0.387 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 121.7 | -176.5 | -64.7 | 0 | 0 | 0 | 0 | 110.2 | Q74 I78 I107 | Q74-T76 PolarHBondContact O-N 3.11Å; T76-I78 HydrophobicContact CG2-CG1 4.31Å; T76-I107 HydrophobicContact CG2-CD1 4.31Å |
| 77 | K | 89.4 | Confident | 89.6 | Confident | 186 Ų | 186 | 76.7 Ų | 76.7 | 81% | 0.809 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -93.8 | 123.7 | 168.7 | -65.2 | -175.4 | -179 | -179.2 | 0 | 109.2 | P75 P79 | P75-K77 PolarHBondContact O-N 3.47Å; K77-P79 VanDerWaalsContact O-CD 3.27Å; K77-P79 WeakPolarHBondContact O-CD 3.36Å |
| 78 | I | 90.3 | Very high | 89.7 | Confident | 21 Ų | 21 | 82.6 Ų | 82.6 | 11% | 0.108 | 42% | 0.416 | C | S | . | . | trans | -92.8 | 109.9 | -174.3 | -53.1 | -178.4 | 0 | 0 | 0 | 109.1 | T76 L82 V83 L100 L103 E104 I107 | T76-I78 HydrophobicContact CG2-CG1 4.31Å; I78-L82 HydrophobicContact CG2-CB 4.32Å; I78-L82 HydrophobicContact CG2-CD2 4.11Å; I78-L82 HydrophobicContact CG2-CG 4.3Å; I78-V83 HydrophobicContact CG2-CG2 3.63Å; I78-L100 HydrophobicContact CB-CD2 4.44Å; I78-L100 HydrophobicContact CG2-CD2 4.43Å; I78-L103 HydrophobicContact CD1-CB 4.12Å; I78-L103 HydrophobicContact CD1-CD2 3.45Å; I78-L103 VanDerWaalsContact CD1-CD2 3.45Å; I78-L103 HydrophobicContact CD1-CG 3.51Å; I78-E104 HydrophobicContact CD1-CG 3.72Å; I78-E104 HydrophobicContact CG1-CG 3.99Å; I78-I107 HydrophobicContact CD1-CD1 3.89Å; I78-I107 HydrophobicContact CG1-CD1 4.45Å | ||
| 79 | P | 91.6 | Very high | 89.8 | Confident | 74 Ų | 74 | 86.6 Ų | 86.6 | 48% | 0.481 | 43% | 0.434 | S | S | . | . | trans | -70.4 | 149.2 | 176 | 30.2 | -34 | 0 | 0 | 0 | 110.1 | K77 D81 L82 V83 | K77-P79 VanDerWaalsContact O-CD 3.27Å; K77-P79 WeakPolarHBondContact O-CD 3.36Å; P79-D81 PolarHBondContact O-N 3.28Å; P79-D81 VanDerWaalsContact O-N 3.13Å; P79-L82 HydrophobicContact CG-CB 3.77Å; P79-L82 WeakPolarHBondContact O-CB 3.4Å; P79-L82 PolarHBondContact O-N 3.5Å; P79-V83 PolarHBondContact O-N 3.13Å | ||
| 80 | A | 87.3 | Confident | 89.9 | Confident | 43 Ų | 43 | 84.3 Ų | 84.3 | 36% | 0.355 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -55.9 | -33.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L82 V83 D84 | A80-L82 VanDerWaalsContact C-N 3.25Å; A80-L82 PolarHBondContact O-N 2.99Å; A80-V83 WeakPolarHBondContact O-CB 3.32Å; A80-V83 PolarHBondContact O-N 3.32Å; A80-D84 PolarHBondContact O-N 3.23Å |
| 81 | D | 90.3 | Very high | 89.9 | Confident | 88 Ų | 88 | 83.7 Ų | 83.7 | 47% | 0.471 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.8 | -29.2 | 177.4 | -60.9 | 2.4 | 0 | 0 | 0 | 112.6 | P79 K85 R173 | P79-D81 PolarHBondContact O-N 3.28Å; P79-D81 VanDerWaalsContact O-N 3.13Å; D81-K85 VanDerWaalsContact O-CG 3.32Å; D81-K85 WeakPolarHBondContact O-CG 3.28Å; D81-K85 PolarHBondContact O-N 3.44Å; D81-R173 IonicContact OD1-CZ 2.7Å; D81-R173 IonicContact OD1-NH1 2.72Å; D81-R173 PolarHBondContact OD1-NH1 2.76Å; D81-R173 IonicContact OD1-NH2 2.96Å |
| 82 | L | 91.7 | Very high | 89.9 | Confident | 72 Ų | 72 | 82 Ų | 82 | 38% | 0.377 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -74.6 | -39.8 | 174.8 | 179.8 | 59.1 | 0 | 0 | 0 | 110.4 | I78 P79 A80 D84 K85 L86 | I78-L82 HydrophobicContact CG2-CB 4.32Å; I78-L82 HydrophobicContact CG2-CD2 4.11Å; I78-L82 HydrophobicContact CG2-CG 4.3Å; P79-L82 HydrophobicContact CG-CB 3.77Å; P79-L82 WeakPolarHBondContact O-CB 3.4Å; P79-L82 PolarHBondContact O-N 3.5Å; A80-L82 VanDerWaalsContact C-N 3.25Å; A80-L82 PolarHBondContact O-N 2.99Å; L82-D84 VanDerWaalsContact C-N 3.35Å; L82-D84 PolarHBondContact O-N 3.07Å; L82-K85 PolarHBondContact O-N 2.76Å; L82-L86 HydrophobicContact CD1-CD1 4.37Å; L82-L86 HydrophobicContact CD1-CG 4.23Å; L82-L86 HydrophobicContact CG-CD1 4.05Å; L82-L86 HydrophobicContact CG-CG 4.37Å; L82-L86 WeakPolarHBondContact O-CB 3.45Å; L82-L86 VanDerWaalsContact O-CG 3.31Å; L82-L86 WeakPolarHBondContact O-CG 3.32Å; L82-L86 PolarHBondContact O-N 3.22Å |
| 83 | V | 90.8 | Very high | 89.7 | Confident | 4 Ų | 4 | 86 Ų | 86 | 2% | 0.024 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -56.9 | -50.4 | 172.9 | -175.4 | 0 | 0 | 0 | 0 | 110 | I78 P79 A80 K85 L86 E87 F94 R95 L100 | I78-V83 HydrophobicContact CG2-CG2 3.63Å; P79-V83 PolarHBondContact O-N 3.13Å; A80-V83 WeakPolarHBondContact O-CB 3.32Å; A80-V83 PolarHBondContact O-N 3.32Å; V83-K85 PolarHBondContact O-N 2.72Å; V83-L86 PolarHBondContact O-N 3.06Å; V83-L86 VanDerWaalsContact O-N 3.1Å; V83-E87 HydrophobicContact CG1-CG 4.24Å; V83-E87 WeakPolarHBondContact O-CG 3.27Å; V83-E87 PolarHBondContact O-N 3.22Å; V83-F94 HydrophobicContact CG1-CD2 4.4Å; V83-F94 HydrophobicContact CG1-CE2 3.84Å; V83-F94 HydrophobicContact CG1-CZ 4.16Å; V83-R95 HydrophobicContact CG1-CB 4.4Å; V83-R95 HydrophobicContact CG1-CG 4.36Å; V83-L100 HydrophobicContact CG2-CD2 3.68Å |
| 84 | D | 87 | Confident | 89.5 | Confident | 30 Ų | 30 | 85.6 Ų | 85.6 | 16% | 0.16 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -52.5 | -41.4 | 177.5 | -72.1 | 4.2 | 0 | 0 | 0 | 112.6 | A80 L82 R88 R95 R173 | A80-D84 PolarHBondContact O-N 3.23Å; L82-D84 VanDerWaalsContact C-N 3.35Å; L82-D84 PolarHBondContact O-N 3.07Å; D84-R88 WeakPolarHBondContact O-CB 3.46Å; D84-R88 PolarHBondContact O-N 3.44Å; D84-R95 IonicContact OD1-CZ 3.61Å; D84-R95 IonicContact OD1-NH1 2.63Å; D84-R95 PolarHBondContact OD1-NH1 2.92Å; D84-R95 IonicContact OD1-NH2 3.57Å; D84-R95 PolarHBondContact OD1-NH2 3.01Å; D84-R173 WeakPolarHBondContact OD2-CD 3.5Å |
| 85 | K | 91 | Very high | 89.1 | Confident | 139 Ų | 139 | 80.1 Ų | 80.1 | 60% | 0.604 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -71.4 | -44.7 | 179.8 | -72.7 | 172.1 | -174.9 | 179.7 | 0 | 111.6 | D81 L82 V83 R88 L89 | D81-K85 VanDerWaalsContact O-CG 3.32Å; D81-K85 WeakPolarHBondContact O-CG 3.28Å; D81-K85 PolarHBondContact O-N 3.44Å; L82-K85 PolarHBondContact O-N 2.76Å; V83-K85 PolarHBondContact O-N 2.72Å; K85-R88 PolarHBondContact O-N 3.42Å; K85-L89 WeakPolarHBondContact O-CG 3.37Å; K85-L89 PolarHBondContact O-N 3.12Å |
| 86 | L | 92.6 | Very high | 89 | Confident | 63 Ų | 63 | 79.7 Ų | 79.7 | 33% | 0.33 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | -179.5 | -73.2 | 174.8 | 0 | 0 | 0 | 111.5 | L82 V83 R88 L89 A90 F94 L103 | L82-L86 HydrophobicContact CD1-CD1 4.37Å; L82-L86 HydrophobicContact CD1-CG 4.23Å; L82-L86 HydrophobicContact CG-CD1 4.05Å; L82-L86 HydrophobicContact CG-CG 4.37Å; L82-L86 WeakPolarHBondContact O-CB 3.45Å; L82-L86 VanDerWaalsContact O-CG 3.31Å; L82-L86 WeakPolarHBondContact O-CG 3.32Å; L82-L86 PolarHBondContact O-N 3.22Å; V83-L86 PolarHBondContact O-N 3.06Å; V83-L86 VanDerWaalsContact O-N 3.1Å; L86-R88 VanDerWaalsContact C-N 3.29Å; L86-R88 PolarHBondContact O-N 3.27Å; L86-L89 PolarHBondContact O-N 2.89Å; L86-A90 WeakPolarHBondContact O-CB 3.39Å; L86-A90 PolarHBondContact O-N 3.04Å; L86-F94 HydrophobicContact CB-CE1 4.04Å; L86-F94 HydrophobicContact CB-CZ 3.62Å; L86-F94 HydrophobicContact CD1-CZ 4.24Å; L86-L103 HydrophobicContact CD1-CD2 4.09Å |
| 87 | E | 89.3 | Confident | 89 | Confident | 12 Ų | 12 | 84.1 Ų | 84.1 | 6% | 0.056 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59 | -42.4 | 175.6 | -71 | -176 | 154.2 | 0 | 0 | 111.9 | V83 L89 L91 V92 F94 R95 | V83-E87 HydrophobicContact CG1-CG 4.24Å; V83-E87 WeakPolarHBondContact O-CG 3.27Å; V83-E87 PolarHBondContact O-N 3.22Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 3.33Å; E87-L91 VanDerWaalsContact O-CA 3.31Å; E87-L91 WeakPolarHBondContact O-CA 3.47Å; E87-L91 PolarHBondContact O-N 2.87Å; E87-V92 VanDerWaalsContact CA-O 3.24Å; E87-V92 WeakPolarHBondContact CA-O 3.49Å; E87-V92 WeakPolarHBondContact CB-O 3.41Å; E87-V92 VanDerWaalsContact CG-O 3.26Å; E87-V92 WeakPolarHBondContact CG-O 3.34Å; E87-V92 PolarHBondContact O-N 3.45Å; E87-F94 HydrophobicContact CB-CE1 4.23Å; E87-F94 HydrophobicContact CG-CD1 3.57Å; E87-F94 HydrophobicContact CG-CE1 3.35Å; E87-F94 HydrophobicContact CG-CG 4.32Å; E87-F94 HydrophobicContact CG-CZ 3.93Å; E87-F94 PolarHBondContact OE1-N 3.29Å; E87-R95 VanDerWaalsContact OE1-CB 3.31Å; E87-R95 WeakPolarHBondContact OE1-CB 3.36Å; E87-R95 PolarHBondContact OE1-N 3.39Å; E87-R95 IonicContact OE2-CZ 3.7Å; E87-R95 IonicContact OE2-NE 3.57Å; E87-R95 IonicContact OE2-NH2 3.44Å; E87-R95 PolarHBondContact OE2-NH2 3.31Å |
| 88 | R | 87 | Confident | 89.1 | Confident | 172 Ų | 172 | 82.9 Ų | 82.9 | 65% | 0.649 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66 | -36 | 177.8 | 177.2 | 178.8 | 140.3 | 164.7 | -3.1 | 112.6 | D84 K85 L86 L91 L170 | D84-R88 WeakPolarHBondContact O-CB 3.46Å; D84-R88 PolarHBondContact O-N 3.44Å; K85-R88 PolarHBondContact O-N 3.42Å; L86-R88 VanDerWaalsContact C-N 3.29Å; L86-R88 PolarHBondContact O-N 3.27Å; R88-L91 WeakPolarHBondContact O-CD2 3.32Å; R88-L170 HydrophobicContact CB-CD1 4.41Å; R88-L170 HydrophobicContact CG-CD1 4.01Å |
| 89 | L | 91.4 | Very high | 89.1 | Confident | 143 Ų | 143 | 82.6 Ų | 82.6 | 75% | 0.749 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -76.1 | -40.3 | 178.2 | -71.5 | 173.5 | 0 | 0 | 0 | 111.9 | K85 L86 E87 | K85-L89 WeakPolarHBondContact O-CG 3.37Å; K85-L89 PolarHBondContact O-N 3.12Å; L86-L89 PolarHBondContact O-N 2.89Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 3.33Å |
| 90 | A | 91.3 | Very high | 89.1 | Confident | 62 Ų | 62 | 81.2 Ų | 81.2 | 51% | 0.512 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -80.3 | -18.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L86 V92 | L86-A90 WeakPolarHBondContact O-CB 3.39Å; L86-A90 PolarHBondContact O-N 3.04Å; A90-V92 HydrophobicContact CB-CB 4.31Å; A90-V92 HydrophobicContact CB-CG2 4.41Å; A90-V92 PolarHBondContact O-N 3.27Å |
| 91 | L | 88.3 | Confident | 89.4 | Confident | 156 Ų | 156 | 83.9 Ų | 83.9 | 82% | 0.817 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 37.2 | -169.9 | -53.1 | 176.1 | 0 | 0 | 0 | 112.3 | E87 R88 | E87-L91 VanDerWaalsContact O-CA 3.31Å; E87-L91 WeakPolarHBondContact O-CA 3.47Å; E87-L91 PolarHBondContact O-N 2.87Å; R88-L91 WeakPolarHBondContact O-CD2 3.32Å |
| 92 | V | 88.4 | Confident | 89.5 | Confident | 85 Ų | 85 | 83.7 Ų | 83.7 | 52% | 0.515 | 43% | 0.427 | S | S | . | . | trans | -131.6 | 140.3 | -179 | 175.4 | 0 | 0 | 0 | 0 | 108.9 | E87 A90 | E87-V92 VanDerWaalsContact CA-O 3.24Å; E87-V92 WeakPolarHBondContact CA-O 3.49Å; E87-V92 WeakPolarHBondContact CB-O 3.41Å; E87-V92 VanDerWaalsContact CG-O 3.26Å; E87-V92 WeakPolarHBondContact CG-O 3.34Å; E87-V92 PolarHBondContact O-N 3.45Å; A90-V92 HydrophobicContact CB-CB 4.31Å; A90-V92 HydrophobicContact CB-CG2 4.41Å; A90-V92 PolarHBondContact O-N 3.27Å | ||
| 93 | D | 85.4 | Confident | 89.7 | Confident | 103 Ų | 103 | 82.5 Ų | 82.5 | 55% | 0.551 | 42% | 0.421 | S | S | * | . | trans | -92.1 | 123 | 169 | -171.4 | -12.3 | 0 | 0 | 0 | 109.2 | R95 | D93-R95 PolarHBondContact OD1-N 3.45Š| ||
| 94 | F | 85.7 | Confident | 89.8 | Confident | 40 Ų | 40 | 86 Ų | 86 | 18% | 0.175 | 44% | 0.437 | C | S | . | . | trans | -139.5 | 19.3 | 178.2 | 65.3 | -93.6 | 0 | 0 | 0 | 112.6 | V83 L86 E87 T96 L103 | V83-F94 HydrophobicContact CG1-CD2 4.4Å; V83-F94 HydrophobicContact CG1-CE2 3.84Å; V83-F94 HydrophobicContact CG1-CZ 4.16Å; L86-F94 HydrophobicContact CB-CE1 4.04Å; L86-F94 HydrophobicContact CB-CZ 3.62Å; L86-F94 HydrophobicContact CD1-CZ 4.24Å; E87-F94 HydrophobicContact CB-CE1 4.23Å; E87-F94 HydrophobicContact CG-CD1 3.57Å; E87-F94 HydrophobicContact CG-CE1 3.35Å; E87-F94 HydrophobicContact CG-CG 4.32Å; E87-F94 HydrophobicContact CG-CZ 3.93Å; E87-F94 PolarHBondContact OE1-N 3.29Å; F94-T96 PolarHBondContact O-N 2.9Å; F94-L103 HydrophobicContact CE2-CD2 3.71Å; F94-L103 HydrophobicContact CZ-CD2 4.24Å | ||
| 95 | R | 84.9 | Confident | 90.2 | Very high | 49 Ų | 49 | 91.1 Ų | 91.1 | 19% | 0.185 | 46% | 0.458 | C | S | . | . | trans | -74.3 | 43 | 177.6 | -160.6 | -175 | -49.1 | -136.8 | -10 | 113.1 | V83 D84 E87 D93 L180 | V83-R95 HydrophobicContact CG1-CB 4.4Å; V83-R95 HydrophobicContact CG1-CG 4.36Å; D84-R95 IonicContact OD1-CZ 3.61Å; D84-R95 IonicContact OD1-NH1 2.63Å; D84-R95 PolarHBondContact OD1-NH1 2.92Å; D84-R95 IonicContact OD1-NH2 3.57Å; D84-R95 PolarHBondContact OD1-NH2 3.01Å; E87-R95 VanDerWaalsContact OE1-CB 3.31Å; E87-R95 WeakPolarHBondContact OE1-CB 3.36Å; E87-R95 PolarHBondContact OE1-N 3.39Å; E87-R95 IonicContact OE2-CZ 3.7Å; E87-R95 IonicContact OE2-NE 3.57Å; E87-R95 IonicContact OE2-NH2 3.44Å; E87-R95 PolarHBondContact OE2-NH2 3.31Å; D93-R95 PolarHBondContact OD1-N 3.45Å; R95-L180 HydrophobicContact CB-CD1 3.87Å; R95-L180 HydrophobicContact CG-CD1 4.14Å | ||
| 96 | T | 87.9 | Confident | 90.4 | Very high | 68 Ų | 68 | 87.1 Ų | 87.1 | 42% | 0.417 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -102.2 | 154.6 | 169.9 | 63.2 | 0 | 0 | 0 | 0 | 108.6 | F94 Q98 G99 L100 | F94-T96 PolarHBondContact O-N 2.9Å; T96-Q98 PolarHBondContact O-N 3.13Å; T96-G99 PolarHBondContact O-N 3.18Å; T96-G99 VanDerWaalsContact O-N 3.17Å; T96-G99 PolarHBondContact OG1-N 2.63Å; T96-L100 PolarHBondContact O-N 3.2Å |
| 97 | K | 87.9 | Confident | 90.6 | Very high | 157 Ų | 157 | 86.5 Ų | 86.5 | 68% | 0.683 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -55.9 | -42.6 | 175.5 | -66.5 | 178.4 | -175.6 | 168 | 0 | 111.2 | L100 E101 | K97-L100 PolarHBondContact O-N 3.35Å; K97-E101 WeakPolarHBondContact O-CB 3.38Å; K97-E101 WeakPolarHBondContact O-CG 3.31Å; K97-E101 PolarHBondContact O-N 3.34Å |
| 98 | Q | 90.4 | Very high | 90.8 | Very high | 159 Ų | 159 | 88 Ų | 88 | 74% | 0.743 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -65.4 | -41.5 | 177.6 | -173.2 | -178.7 | 2 | 0 | 0 | 112.6 | T96 E101 C102 | T96-Q98 PolarHBondContact O-N 3.13Å; Q98-E101 PolarHBondContact O-N 3.13Å; Q98-C102 VanDerWaalsContact O-CB 3.28Å; Q98-C102 WeakPolarHBondContact O-CB 3.48Å; Q98-C102 PolarHBondContact O-N 3.2Å |
| 99 | G | 90.6 | Very high | 91.1 | Very high | 16 Ų | 16 | 86.8 Ų | 86.8 | 17% | 0.165 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T96 C102 L103 | T96-G99 PolarHBondContact O-N 3.18Å; T96-G99 VanDerWaalsContact O-N 3.17Å; T96-G99 PolarHBondContact OG1-N 2.63Å; G99-C102 PolarHBondContact O-N 3.17Å; G99-L103 WeakPolarHBondContact O-CB 3.41Å; G99-L103 PolarHBondContact O-N 3.34Å |
| 100 | L | 92.3 | Very high | 91.3 | Very high | 45 Ų | 45 | 82.2 Ų | 82.2 | 24% | 0.236 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.2 | -48.9 | 174.3 | -79.8 | 164.2 | 0 | 0 | 0 | 112.4 | I78 V83 T96 K97 C102 L103 E104 | I78-L100 HydrophobicContact CB-CD2 4.44Å; I78-L100 HydrophobicContact CG2-CD2 4.43Å; V83-L100 HydrophobicContact CG2-CD2 3.68Å; T96-L100 PolarHBondContact O-N 3.2Å; K97-L100 PolarHBondContact O-N 3.35Å; L100-C102 VanDerWaalsContact C-N 3.27Å; L100-C102 PolarHBondContact O-N 2.92Å; L100-L103 PolarHBondContact O-N 2.91Å; L100-E104 WeakPolarHBondContact O-CG 3.35Å; L100-E104 PolarHBondContact O-N 2.88Å |
| 101 | E | 92.7 | Very high | 91.5 | Very high | 99 Ų | 99 | 79.8 Ų | 79.8 | 46% | 0.463 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.3 | -39.4 | 176.6 | -77 | 179.6 | -156.2 | 0 | 0 | 112.3 | K97 Q98 K105 | K97-E101 WeakPolarHBondContact O-CB 3.38Å; K97-E101 WeakPolarHBondContact O-CG 3.31Å; K97-E101 PolarHBondContact O-N 3.34Å; Q98-E101 PolarHBondContact O-N 3.13Å; E101-K105 WeakPolarHBondContact O-CB 3.48Å; E101-K105 WeakPolarHBondContact O-CD 3.41Å; E101-K105 WeakPolarHBondContact O-CG 3.36Å; E101-K105 PolarHBondContact O-N 2.89Å; E101-K105 IonicContact OE2-NZ 3.56Å |
| 102 | C | 93.7 | Very high | 91.6 | Very high | 83 Ų | 83 | 76 Ų | 76 | 56% | 0.561 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.4 | -45.4 | 176.8 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | Q98 G99 L100 K105 A106 | Q98-C102 VanDerWaalsContact O-CB 3.28Å; Q98-C102 WeakPolarHBondContact O-CB 3.48Å; Q98-C102 PolarHBondContact O-N 3.2Å; G99-C102 PolarHBondContact O-N 3.17Å; L100-C102 VanDerWaalsContact C-N 3.27Å; L100-C102 PolarHBondContact O-N 2.92Å; C102-K105 PolarHBondContact O-N 2.97Å; C102-A106 WeakPolarHBondContact O-CB 3.4Å; C102-A106 PolarHBondContact O-N 3.03Å |
| 103 | L | 94.3 | Very high | 91.7 | Very high | 47 Ų | 47 | 78.1 Ų | 78.1 | 25% | 0.246 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.1 | -45 | 178.1 | -178.8 | 58.3 | 0 | 0 | 0 | 111.9 | I78 L86 F94 G99 L100 K105 A106 I107 | I78-L103 HydrophobicContact CD1-CB 4.12Å; I78-L103 HydrophobicContact CD1-CD2 3.45Å; I78-L103 VanDerWaalsContact CD1-CD2 3.45Å; I78-L103 HydrophobicContact CD1-CG 3.51Å; L86-L103 HydrophobicContact CD1-CD2 4.09Å; F94-L103 HydrophobicContact CE2-CD2 3.71Å; F94-L103 HydrophobicContact CZ-CD2 4.24Å; G99-L103 WeakPolarHBondContact O-CB 3.41Å; G99-L103 PolarHBondContact O-N 3.34Å; L100-L103 PolarHBondContact O-N 2.91Å; L103-K105 VanDerWaalsContact C-N 3.35Å; L103-K105 PolarHBondContact O-N 3.1Å; L103-A106 PolarHBondContact O-N 3.25Å; L103-I107 HydrophobicContact CD1-CD1 4.24Å; L103-I107 HydrophobicContact CD1-CG1 4.4Å; L103-I107 HydrophobicContact CG-CD1 4.15Å; L103-I107 WeakPolarHBondContact O-CG1 3.41Å; L103-I107 PolarHBondContact O-N 3.24Å |
| 104 | E | 94.7 | Very high | 92 | Very high | 78 Ų | 78 | 79.7 Ų | 79.7 | 36% | 0.364 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 176.6 | -72.1 | 178.6 | 171.4 | 0 | 0 | 111.6 | I78 L100 I107 R108 | I78-E104 HydrophobicContact CD1-CG 3.72Å; I78-E104 HydrophobicContact CG1-CG 3.99Å; L100-E104 WeakPolarHBondContact O-CG 3.35Å; L100-E104 PolarHBondContact O-N 2.88Å; E104-I107 PolarHBondContact O-N 3.47Å; E104-R108 WeakPolarHBondContact O-CB 3.19Å; E104-R108 PolarHBondContact O-N 3.38Å |
| 105 | K | 94.1 | Very high | 92.2 | Very high | 138 Ų | 138 | 80.8 Ų | 80.8 | 60% | 0.6 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.2 | -40.2 | 174.6 | -74.1 | 167.1 | -175.4 | 161.8 | 0 | 112.3 | E101 C102 L103 R108 F109 | E101-K105 WeakPolarHBondContact O-CB 3.48Å; E101-K105 WeakPolarHBondContact O-CD 3.41Å; E101-K105 WeakPolarHBondContact O-CG 3.36Å; E101-K105 PolarHBondContact O-N 2.89Å; E101-K105 IonicContact OE2-NZ 3.56Å; C102-K105 PolarHBondContact O-N 2.97Å; L103-K105 VanDerWaalsContact C-N 3.35Å; L103-K105 PolarHBondContact O-N 3.1Å; K105-R108 PolarHBondContact O-N 2.99Å; K105-F109 WeakPolarHBondContact O-CB 3.39Å; K105-F109 PolarHBondContact O-N 2.6Å |
| 106 | A | 95.9 | Very high | 92.3 | Very high | 54 Ų | 54 | 82.7 Ų | 82.7 | 45% | 0.446 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C102 L103 R108 F109 A110 | C102-A106 WeakPolarHBondContact O-CB 3.4Å; C102-A106 PolarHBondContact O-N 3.03Å; L103-A106 PolarHBondContact O-N 3.25Å; A106-R108 VanDerWaalsContact C-N 3.33Å; A106-F109 PolarHBondContact O-N 2.7Å; A106-A110 PolarHBondContact O-N 2.72Å |
| 107 | I | 95.5 | Very high | 92.3 | Very high | 50 Ų | 50 | 84.4 Ų | 84.4 | 26% | 0.256 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 173 | -66.5 | 167.4 | 0 | 0 | 0 | 109.6 | T76 I78 L103 E104 F109 A110 D111 | T76-I107 HydrophobicContact CG2-CD1 4.31Å; I78-I107 HydrophobicContact CD1-CD1 3.89Å; I78-I107 HydrophobicContact CG1-CD1 4.45Å; L103-I107 HydrophobicContact CD1-CD1 4.24Å; L103-I107 HydrophobicContact CD1-CG1 4.4Å; L103-I107 HydrophobicContact CG-CD1 4.15Å; L103-I107 WeakPolarHBondContact O-CG1 3.41Å; L103-I107 PolarHBondContact O-N 3.24Å; E104-I107 PolarHBondContact O-N 3.47Å; I107-F109 PolarHBondContact O-N 3Å; I107-A110 CarbonylContact O-C 3.57Å; I107-A110 PolarHBondContact O-N 3.18Å; I107-D111 PolarHBondContact O-N 2.9Å |
| 108 | R | 94.1 | Very high | 92.5 | Very high | 44 Ų | 44 | 81.5 Ų | 81.5 | 17% | 0.166 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60.3 | -36.2 | 178.6 | -173.7 | 58.5 | -177.3 | 169.7 | -0.3 | 112.9 | E69 P73 E104 K105 A106 D111 | E69-R108 IonicContact OE1-CZ 3.64Å; E69-R108 IonicContact OE1-NE 3.69Å; E69-R108 IonicContact OE1-NH2 2.76Å; E69-R108 PolarHBondContact OE1-NH2 3.3Å; E69-R108 IonicContact OE2-CZ 3.28Å; E69-R108 IonicContact OE2-NE 2.72Å; E69-R108 IonicContact OE2-NH2 3.4Å; E69-R108 PolarHBondContact OE2-NH2 3.49Å; P73-R108 PolarHBondContact O-NH1 3.34Å; E104-R108 WeakPolarHBondContact O-CB 3.19Å; E104-R108 PolarHBondContact O-N 3.38Å; K105-R108 PolarHBondContact O-N 2.99Å; A106-R108 VanDerWaalsContact C-N 3.33Å; R108-D111 IonicContact NH1-OD2 2.6Å; R108-D111 PolarHBondContact NH1-OD2 3.48Å; R108-D111 WeakPolarHBondContact O-CB 3.31Å |
| 109 | F | 93.8 | Very high | 92.7 | Very high | 146 Ų | 146 | 78.4 Ų | 78.4 | 64% | 0.64 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.9 | -43 | 174 | -179.8 | -111.4 | 0 | 0 | 0 | 111.6 | K105 A106 I107 D111 Q112 | K105-F109 WeakPolarHBondContact O-CB 3.39Å; K105-F109 PolarHBondContact O-N 2.6Å; A106-F109 PolarHBondContact O-N 2.7Å; I107-F109 PolarHBondContact O-N 3Å; F109-D111 VanDerWaalsContact C-N 3.31Å; F109-D111 PolarHBondContact O-N 2.86Å; F109-Q112 WeakPolarHBondContact O-CB 3.42Å; F109-Q112 WeakPolarHBondContact O-CG 3.45Å; F109-Q112 PolarHBondContact O-N 3.17Å |
| 110 | A | 95.6 | Very high | 92.7 | Very high | 47 Ų | 47 | 81.9 Ų | 81.9 | 39% | 0.388 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.4 | -28.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A106 I107 Q112 L113 | A106-A110 PolarHBondContact O-N 2.72Å; I107-A110 CarbonylContact O-C 3.57Å; I107-A110 PolarHBondContact O-N 3.18Å; A110-Q112 PolarHBondContact O-N 2.84Å; A110-Q112 VanDerWaalsContact O-N 3.07Å; A110-L113 VanDerWaalsContact O-CB 3.32Å; A110-L113 WeakPolarHBondContact O-CB 3.33Å; A110-L113 WeakPolarHBondContact O-CG 3.26Å; A110-L113 PolarHBondContact O-N 3.38Å |
| 111 | D | 94.6 | Very high | 92.6 | Very high | 12 Ų | 12 | 83.5 Ų | 83.5 | 6% | 0.064 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -55.3 | -28.2 | 178 | -76 | -23.6 | 0 | 0 | 0 | 112.8 | L72 P73 I107 R108 F109 L113 H114 | L72-D111 HydrophobicContact CD2-CB 4.5Å; P73-D111 HydrophobicContact CG-CB 3.75Å; I107-D111 PolarHBondContact O-N 2.9Å; R108-D111 IonicContact NH1-OD2 2.6Å; R108-D111 PolarHBondContact NH1-OD2 3.48Å; R108-D111 WeakPolarHBondContact O-CB 3.31Å; F109-D111 VanDerWaalsContact C-N 3.31Å; F109-D111 PolarHBondContact O-N 2.86Å; D111-L113 PolarHBondContact O-N 3.31Å; D111-L113 VanDerWaalsContact O-N 3.13Å; D111-H114 WeakPolarHBondContact O-CB 3.2Å; D111-H114 PolarHBondContact O-N 2.98Å; D111-H114 PolarHBondContact O-ND1 3.44Å; D111-H114 VanDerWaalsContact O-ND1 3.07Å |
| 112 | Q | 91.2 | Very high | 92.4 | Very high | 77 Ų | 77 | 86.4 Ų | 86.4 | 36% | 0.36 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -58 | -25.9 | 177 | -60.7 | 177.2 | 22.7 | 0 | 0 | 112.9 | V67 L72 F109 A110 H114 V115 | V67-Q112 HydrophobicContact CG2-CB 4.49Å; V67-Q112 HydrophobicContact CG2-CG 4.45Å; L72-Q112 HydrophobicContact CD2-CG 4.28Å; F109-Q112 WeakPolarHBondContact O-CB 3.42Å; F109-Q112 WeakPolarHBondContact O-CG 3.45Å; F109-Q112 PolarHBondContact O-N 3.17Å; A110-Q112 PolarHBondContact O-N 2.84Å; A110-Q112 VanDerWaalsContact O-N 3.07Å; Q112-H114 PolarHBondContact O-N 3.45Å; Q112-V115 PolarHBondContact O-N 3.34Å |
| 113 | L | 91.4 | Very high | 92.3 | Very high | 128 Ų | 128 | 88.4 Ų | 88.4 | 67% | 0.67 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -66 | -21.2 | 176.8 | -60.8 | 176.9 | 0 | 0 | 0 | 112.7 | A110 D111 V115 V116 | A110-L113 VanDerWaalsContact O-CB 3.32Å; A110-L113 WeakPolarHBondContact O-CB 3.33Å; A110-L113 WeakPolarHBondContact O-CG 3.26Å; A110-L113 PolarHBondContact O-N 3.38Å; D111-L113 PolarHBondContact O-N 3.31Å; D111-L113 VanDerWaalsContact O-N 3.13Å; L113-V115 VanDerWaalsContact C-N 3.26Å; L113-V115 PolarHBondContact O-N 2.91Å; L113-V116 WeakPolarHBondContact O-CB 3.36Å; L113-V116 PolarHBondContact O-N 3.44Å |
| 114 | H | 90.1 | Very high | 92 | Very high | 136 Ų | 136 | 92.6 Ų | 92.6 | 63% | 0.63 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -69.7 | -21.6 | 177.2 | -67.5 | 89.1 | 0 | 0 | 0 | 113.5 | D111 Q112 V116 | D111-H114 WeakPolarHBondContact O-CB 3.2Å; D111-H114 PolarHBondContact O-N 2.98Å; D111-H114 PolarHBondContact O-ND1 3.44Å; D111-H114 VanDerWaalsContact O-ND1 3.07Å; Q112-H114 PolarHBondContact O-N 3.45Å; H114-V116 PolarHBondContact O-N 2.94Å |
| 115 | V | 89.7 | Confident | 91.7 | Very high | 64 Ų | 64 | 96 Ų | 96 | 39% | 0.388 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -73.4 | -19.8 | 176.5 | 180 | 0 | 0 | 0 | 0 | 111.4 | V67 Q71 L72 Q112 L113 D117 | V67-V115 HydrophobicContact CG1-CB 4.47Å; V67-V115 HydrophobicContact CG1-CG2 3.69Å; Q71-V115 HydrophobicContact CB-CG2 4.19Å; L72-V115 HydrophobicContact CD2-CG2 3.91Å; Q112-V115 PolarHBondContact O-N 3.34Å; L113-V115 VanDerWaalsContact C-N 3.26Å; L113-V115 PolarHBondContact O-N 2.91Å; V115-D117 PolarHBondContact O-N 3.4Å |
| 116 | V | 87.8 | Confident | 91.4 | Very high | 88 Ų | 88 | 91.9 Ų | 91.9 | 53% | 0.533 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -79.7 | 119.1 | -179.3 | -175.9 | 0 | 0 | 0 | 0 | 110.1 | L113 H114 T118 | L113-V116 WeakPolarHBondContact O-CB 3.36Å; L113-V116 PolarHBondContact O-N 3.44Å; H114-V116 PolarHBondContact O-N 2.94Å; V116-T118 HydrophobicContact CG1-CG2 4.44Å; V116-T118 PolarHBondContact O-N 3.45Å; V116-T118 VanDerWaalsContact O-N 3.13Å |
| 117 | D | 89 | Confident | 91.1 | Very high | 104 Ų | 104 | 95.1 Ų | 95.1 | 56% | 0.556 | 54% | 0.544 | S | S | * | . | trans | -70.3 | 108.6 | 174 | -178.2 | 24.2 | 0 | 0 | 0 | 111.6 | K57 V115 S119 | K57-D117 PolarHBondContact NZ-O 2.91Å; V115-D117 PolarHBondContact O-N 3.4Å; D117-S119 WeakPolarHBondContact OD1-CB 3.24Å; D117-S119 PolarHBondContact OD1-N 3.4Å; D117-S119 PolarHBondContact OD1-OG 3.48Å | ||
| 118 | T | 91.2 | Very high | 90.7 | Very high | 97 Ų | 97 | 97.3 Ų | 97.3 | 60% | 0.595 | 56% | 0.556 | S | S | * | * | trans | -103.2 | 10 | 177 | 52.2 | 0 | 0 | 0 | 0 | 112.6 | V116 G120 V121 | V116-T118 HydrophobicContact CG1-CG2 4.44Å; V116-T118 PolarHBondContact O-N 3.45Å; V116-T118 VanDerWaalsContact O-N 3.13Å; T118-G120 PolarHBondContact O-N 2.94Å; T118-V121 WeakPolarHBondContact O-CB 3.35Å; T118-V121 PolarHBondContact O-N 2.96Å | ||
| 119 | S | 94 | Very high | 90.1 | Very high | 93 Ų | 93 | 98.7 Ų | 98.7 | 65% | 0.65 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | 126.2 | 178.4 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | D117 V121 | D117-S119 WeakPolarHBondContact OD1-CB 3.24Å; D117-S119 PolarHBondContact OD1-N 3.4Å; D117-S119 PolarHBondContact OD1-OG 3.48Å; S119-V121 PolarHBondContact O-N 3.24Å |
| 120 | G | 92.2 | Very high | 89.7 | Confident | 90 Ų | 90 | 97.7 Ų | 97.7 | 93% | 0.928 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.3 | 9.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | T118 | T118-G120 PolarHBondContact O-N 2.94Š|
| 121 | V | 88.9 | Confident | 89.2 | Confident | 79 Ų | 79 | 103.4 Ų | 103.4 | 48% | 0.479 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -93.2 | 119.6 | 172.6 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | K57 T118 S119 | K57-V121 VanDerWaalsContact NZ-CG2 3.33Å; T118-V121 WeakPolarHBondContact O-CB 3.35Å; T118-V121 PolarHBondContact O-N 2.96Å; S119-V121 PolarHBondContact O-N 3.24Å |
| 122 | E | 88.1 | Confident | 89 | Confident | 160 Ų | 160 | 106.7 Ų | 106.7 | 75% | 0.748 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 134.9 | 172.2 | -66.7 | -161 | 147.5 | 0 | 0 | 110.5 | M124 | E122-M124 PolarHBondContact O-N 2.78Š|
| 123 | P | 91.9 | Very high | 88.9 | Confident | 125 Ų | 125 | 110.7 Ų | 110.7 | 81% | 0.812 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 135.2 | 174.5 | -24.4 | 34.1 | 0 | 0 | 0 | 111.6 | ||
| 124 | M | 89.1 | Confident | 88.8 | Confident | 135 Ų | 135 | 114.6 Ų | 114.6 | 67% | 0.665 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -84 | 124.3 | 176.3 | -173.6 | 175.4 | 65 | 0 | 0 | 110 | E122 S126 V127 | E122-M124 PolarHBondContact O-N 2.78Å; M124-S126 WeakPolarHBondContact CG-O 3.49Å; M124-V127 HydrophobicContact CE-CG2 4.18Å; M124-V127 HydrophobicContact SD-CG2 4.23Å |
| 125 | D | 88.4 | Confident | 89.1 | Confident | 149 Ų | 149 | 115.8 Ų | 115.8 | 80% | 0.797 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -98.9 | -33.3 | 177.1 | 61.7 | -15.6 | 0 | 0 | 0 | 112.4 | ||
| 126 | S | 86.8 | Confident | 89.4 | Confident | 52 Ų | 52 | 121.3 Ų | 121.3 | 36% | 0.364 | 66% | 0.66 | S | S | . | * | trans | -144 | 150.8 | 176.6 | 180 | 0 | 0 | 0 | 0 | 110.6 | M124 L128 E129 | M124-S126 WeakPolarHBondContact CG-O 3.49Å; S126-L128 PolarHBondContact OG-N 3.16Å; S126-E129 WeakPolarHBondContact O-CG 3.28Å | ||
| 127 | V | 89.4 | Confident | 89.7 | Confident | 121 Ų | 121 | 123.2 Ų | 123.2 | 73% | 0.733 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -80.4 | -10.9 | 170.8 | -175.3 | 0 | 0 | 0 | 0 | 111.2 | M124 | M124-V127 HydrophobicContact CE-CG2 4.18Å; M124-V127 HydrophobicContact SD-CG2 4.23Å |
| 128 | L | 87.9 | Confident | 90.1 | Very high | 97 Ų | 97 | 125.7 Ų | 125.7 | 51% | 0.508 | 68% | 0.681 | S | S | . | * | trans | -105.6 | 39.4 | -172.6 | -57.4 | -179.5 | 0 | 0 | 0 | 113 | S126 D130 R131 | S126-L128 PolarHBondContact OG-N 3.16Å; L128-D130 PolarHBondContact O-N 3.47Å; L128-R131 PolarHBondContact O-N 3.03Å; L128-R131 VanDerWaalsContact O-N 3.12Å | ||
| 129 | E | 80.2 | Confident | 90.3 | Very high | 72 Ų | 72 | 125 Ų | 125 | 34% | 0.336 | 68% | 0.677 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.2 | -29.1 | -175.7 | -57.7 | 169.2 | 141.3 | 0 | 0 | 113 | R47 S126 R131 | R47-E129 IonicContact CZ-OE1 3.15Å; R47-E129 IonicContact CZ-OE2 2.99Å; R47-E129 IonicContact NE-OE2 3.53Å; R47-E129 IonicContact NH1-OE1 2.8Å; R47-E129 PolarHBondContact NH1-OE1 2.96Å; R47-E129 IonicContact NH1-OE2 2.58Å; R47-E129 PolarHBondContact NH1-OE2 2.79Å; R47-E129 VanDerWaalsContact NH2-CD 3.35Å; R47-E129 IonicContact NH2-OE1 2.9Å; R47-E129 PolarHBondContact NH2-OE1 3.47Å; R47-E129 IonicContact NH2-OE2 3.51Å; S126-E129 WeakPolarHBondContact O-CG 3.28Å; E129-R131 PolarHBondContact O-N 3Å |
| 130 | D | 85.5 | Confident | 90.3 | Very high | 126 Ų | 126 | 127.5 Ų | 127.5 | 67% | 0.674 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 5.1 | 179.8 | -61.4 | -38.3 | 0 | 0 | 0 | 113.8 | L128 | L128-D130 PolarHBondContact O-N 3.47Š|
| 131 | R | 86.6 | Confident | 90.2 | Very high | 167 Ų | 167 | 128.6 Ų | 128.6 | 63% | 0.63 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -119.7 | 136.5 | -174.5 | -58.4 | -173 | -176 | -149.1 | 0 | 110.7 | L128 E129 | L128-R131 PolarHBondContact O-N 3.03Å; L128-R131 VanDerWaalsContact O-N 3.12Å; E129-R131 PolarHBondContact O-N 3Å |
| 132 | A | 88.8 | Confident | 90.1 | Very high | 81 Ų | 81 | 132.5 Ų | 132.5 | 67% | 0.669 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 141.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y134 | A132-Y134 PolarHBondContact O-N 2.95Š|
| 133 | L | 89.6 | Confident | 90.2 | Very high | 161 Ų | 161 | 127.9 Ų | 127.9 | 84% | 0.843 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 124.4 | 170.2 | -63.9 | 178.5 | 0 | 0 | 0 | 109.2 | L135 | L133-L135 PolarHBondContact O-N 2.93Š|
| 134 | Y | 90.8 | Very high | 90 | Very high | 209 Ų | 209 | 130 Ų | 130 | 82% | 0.82 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 124.1 | 176.7 | -64.5 | -82.6 | 0 | 0 | 0 | 109.5 | A132 | A132-Y134 PolarHBondContact O-N 2.95Š|
| 135 | L | 94.6 | Very high | 90.1 | Very high | 161 Ų | 161 | 125.6 Ų | 125.6 | 84% | 0.843 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 140.9 | 171.1 | -58.2 | -179.1 | 0 | 0 | 0 | 109.1 | L133 | L133-L135 PolarHBondContact O-N 2.93Š|
| 136 | R | 95.8 | Very high | 90.3 | Very high | 181 Ų | 181 | 120.3 Ų | 120.3 | 68% | 0.683 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 135.2 | 168.2 | -174.6 | -173.6 | 66.4 | 81.6 | 1.9 | 108.3 | T139 | R136-T139 PolarHBondContact NH1-O 3.26Š|
| 137 | D | 95.3 | Very high | 90.5 | Very high | 127 Ų | 127 | 126.1 Ų | 126.1 | 68% | 0.679 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 141.5 | 172.5 | -67.2 | -41.3 | 0 | 0 | 0 | 110.6 | T139 | D137-T139 HydrophobicContact CB-CG2 4.35Å; D137-T139 PolarHBondContact O-N 2.94Å |
| 138 | D | 96.4 | Very high | 90.7 | Very high | 157 Ų | 157 | 127.8 Ų | 127.8 | 84% | 0.84 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -79.9 | 65.9 | 178.7 | -169.8 | 27.6 | 0 | 0 | 0 | 111.3 | ||
| 139 | T | 95.9 | Very high | 90.9 | Very high | 83 Ų | 83 | 128.6 Ų | 128.6 | 51% | 0.509 | 67% | 0.673 | S | S | . | * | trans | -125.7 | 140 | 178.4 | 58.5 | 0 | 0 | 0 | 0 | 109.9 | R136 D137 T141 | R136-T139 PolarHBondContact NH1-O 3.26Å; D137-T139 HydrophobicContact CB-CG2 4.35Å; D137-T139 PolarHBondContact O-N 2.94Å; T139-T141 PolarHBondContact O-N 2.99Å | ||
| 140 | V | 93.5 | Very high | 91.7 | Very high | 144 Ų | 144 | 126.5 Ų | 126.5 | 87% | 0.873 | 66% | 0.664 | S | S | * | * | trans | -71.9 | 123 | 173.2 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 141 | T | 90.8 | Very high | 92.1 | Very high | 113 Ų | 113 | 128.9 Ų | 128.9 | 69% | 0.693 | 67% | 0.669 | S | S | * | * | trans | -108.1 | -32.3 | -178.7 | 50.8 | 0 | 0 | 0 | 0 | 113.4 | T139 | T139-T141 PolarHBondContact O-N 2.99Š| ||
| 142 | E | 87.8 | Confident | 92.5 | Very high | 162 Ų | 162 | 128.9 Ų | 128.9 | 76% | 0.757 | 68% | 0.68 | S | S | * | * | trans | -138.9 | 153 | -172.5 | -69.2 | 174.4 | -172.8 | 0 | 0 | 110.9 | ||||
| 143 | G | 88.6 | Confident | 92.8 | Very high | 62 Ų | 62 | 126.3 Ų | 126.3 | 64% | 0.639 | 66% | 0.659 | S | S | * | * | trans | -168.6 | 165 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | C145 | G143-C145 VanDerWaalsContact C-N 3.32Å; G143-C145 PolarHBondContact O-N 2.78Å | ||
| 144 | D | 88.8 | Confident | 93 | Very high | 170 Ų | 170 | 127.8 Ų | 127.8 | 91% | 0.909 | 66% | 0.659 | S | S | * | * | trans | 58.5 | 34.4 | 175.3 | -154.7 | 29.3 | 0 | 0 | 0 | 115.4 | ||||
| 145 | C | 91.4 | Very high | 93.1 | Very high | 42 Ų | 42 | 122.2 Ų | 122.2 | 28% | 0.284 | 64% | 0.643 | S | S | . | * | trans | -99.2 | 21.1 | -179 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | G143 E147 E148 L149 | G143-C145 VanDerWaalsContact C-N 3.32Å; G143-C145 PolarHBondContact O-N 2.78Å; C145-E147 PolarHBondContact O-N 3.17Å; C145-E148 PolarHBondContact O-N 3.22Å; C145-L149 WeakPolarHBondContact O-CG 3.41Å; C145-L149 PolarHBondContact O-N 3.44Å | ||
| 146 | A | 92 | Very high | 93.1 | Very high | 39 Ų | 39 | 117.9 Ų | 117.9 | 32% | 0.322 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -59 | -45.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E148 L149 L150 | A146-E148 VanDerWaalsContact C-N 3.33Å; A146-E148 PolarHBondContact O-N 3.17Å; A146-L149 PolarHBondContact O-N 3.18Å; A146-L150 WeakPolarHBondContact O-CB 3.31Å; A146-L150 VanDerWaalsContact O-CG 3.23Å; A146-L150 WeakPolarHBondContact O-CG 3.33Å; A146-L150 PolarHBondContact O-N 3.31Å |
| 147 | E | 91.6 | Very high | 93.1 | Very high | 173 Ų | 173 | 113.4 Ų | 113.4 | 81% | 0.808 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -60.2 | -41.7 | 178.9 | -63.7 | -171.6 | 174.1 | 0 | 0 | 112.2 | C145 K151 | C145-E147 PolarHBondContact O-N 3.17Å; E147-K151 PolarHBondContact O-N 3.45Å |
| 148 | E | 93.2 | Very high | 93 | Very high | 157 Ų | 157 | 115.3 Ų | 115.3 | 73% | 0.734 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.5 | -41.5 | -179.7 | -62.9 | -173 | 171.3 | 0 | 0 | 111.8 | C145 A146 K151 | C145-E148 PolarHBondContact O-N 3.22Å; A146-E148 VanDerWaalsContact C-N 3.33Å; A146-E148 PolarHBondContact O-N 3.17Å; E148-K151 WeakPolarHBondContact O-CB 3.42Å |
| 149 | L | 92.5 | Very high | 92.9 | Very high | 114 Ų | 114 | 115 Ų | 115 | 60% | 0.597 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68 | -39.4 | 179.1 | -68.4 | 175.5 | 0 | 0 | 0 | 112.4 | C145 A146 K151 | C145-L149 WeakPolarHBondContact O-CG 3.41Å; C145-L149 PolarHBondContact O-N 3.44Å; A146-L149 PolarHBondContact O-N 3.18Å; L149-K151 VanDerWaalsContact C-N 3.33Å |
| 150 | L | 95.4 | Very high | 92.8 | Very high | 27 Ų | 27 | 119 Ų | 119 | 14% | 0.141 | 62% | 0.621 | C | S | . | * | H | α-helix | trans | -80.4 | -14 | -176.6 | -67 | 172 | 0 | 0 | 0 | 113.3 | A146 L152 A153 T156 E159 F161 | A146-L150 WeakPolarHBondContact O-CB 3.31Å; A146-L150 VanDerWaalsContact O-CG 3.23Å; A146-L150 WeakPolarHBondContact O-CG 3.33Å; A146-L150 PolarHBondContact O-N 3.31Å; L150-L152 PolarHBondContact O-N 3Å; L150-L152 VanDerWaalsContact O-N 3.12Å; L150-A153 VanDerWaalsContact O-CB 3.25Å; L150-A153 WeakPolarHBondContact O-CB 3.33Å; L150-A153 PolarHBondContact O-N 2.96Å; L150-T156 HydrophobicContact CB-CG2 4.31Å; L150-T156 HydrophobicContact CD2-CG2 4.02Å; L150-E159 HydrophobicContact CD1-CB 3.98Å; L150-E159 WeakPolarHBondContact CD1-O 3.31Å; L150-F161 HydrophobicContact CD2-CD1 4.06Å; L150-F161 HydrophobicContact CD2-CD2 4.12Å; L150-F161 HydrophobicContact CD2-CE1 3.8Å; L150-F161 HydrophobicContact CD2-CE2 3.85Å; L150-F161 HydrophobicContact CD2-CG 4.23Å; L150-F161 HydrophobicContact CD2-CZ 3.68Å |
| 151 | K | 95.8 | Very high | 92.8 | Very high | 176 Ų | 176 | 118.8 Ų | 118.8 | 77% | 0.765 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -30.8 | -176.8 | -172.5 | 175.4 | 179.3 | 177.3 | 0 | 114.5 | E147 E148 L149 | E147-K151 PolarHBondContact O-N 3.45Å; E148-K151 WeakPolarHBondContact O-CB 3.42Å; L149-K151 VanDerWaalsContact C-N 3.33Å |
| 152 | L | 93.7 | Very high | 93 | Very high | 167 Ų | 167 | 116.8 Ų | 116.8 | 87% | 0.874 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -2.4 | -179.9 | -62.5 | -179.9 | 0 | 0 | 0 | 113.5 | L150 | L150-L152 PolarHBondContact O-N 3Å; L150-L152 VanDerWaalsContact O-N 3.12Å |
| 153 | A | 94.9 | Very high | 93.2 | Very high | 27 Ų | 27 | 112.8 Ų | 112.8 | 22% | 0.223 | 59% | 0.591 | C | S | . | * | trans | -68.4 | 139.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L150 T156 F161 | L150-A153 VanDerWaalsContact O-CB 3.25Å; L150-A153 WeakPolarHBondContact O-CB 3.33Å; L150-A153 PolarHBondContact O-N 2.96Å; A153-T156 HydrophobicContact CB-CG2 3.43Å; A153-T156 VanDerWaalsContact CB-CG2 3.43Å; A153-F161 HydrophobicContact CB-CD1 3.78Å; A153-F161 HydrophobicContact CB-CE1 3.76Å | ||
| 154 | K | 93.7 | Very high | 93.2 | Very high | 192 Ų | 192 | 115 Ų | 115 | 84% | 0.835 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -65.4 | -49.9 | 176.6 | -178.2 | -175.2 | 172.1 | -174.7 | 0 | 111.5 | ||
| 155 | D | 93.8 | Very high | 93 | Very high | 92 Ų | 92 | 111.9 Ų | 111.9 | 49% | 0.492 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -133.5 | 133.4 | -177.1 | -61.5 | -55.8 | 0 | 0 | 0 | 108.2 | V162 | D155-V162 HydrophobicContact CB-CB 3.95Å; D155-V162 HydrophobicContact CB-CG2 4.32Å; D155-V162 PolarHBondContact O-N 3.34Å |
| 156 | T | 95.3 | Very high | 92.1 | Very high | 71 Ų | 71 | 113.2 Ų | 113.2 | 44% | 0.436 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -135.1 | 145.8 | 176.4 | 57 | 0 | 0 | 0 | 0 | 109.8 | L150 A153 Y160 | L150-T156 HydrophobicContact CB-CG2 4.31Å; L150-T156 HydrophobicContact CD2-CG2 4.02Å; A153-T156 HydrophobicContact CB-CG2 3.43Å; A153-T156 VanDerWaalsContact CB-CG2 3.43Å; T156-Y160 VanDerWaalsContact CA-O 3.27Å; T156-Y160 WeakPolarHBondContact CA-O 3.46Å |
| 157 | V | 94.6 | Very high | 90.7 | Very high | 86 Ų | 86 | 119.2 Ų | 119.2 | 52% | 0.521 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -139 | 124.5 | 174.9 | 170.8 | 0 | 0 | 0 | 0 | 107.4 | E159 Y160 V162 | V157-E159 PolarHBondContact O-N 3.19Å; V157-Y160 PolarHBondContact N-O 3.03Å; V157-Y160 VanDerWaalsContact N-O 3.08Å; V157-Y160 WeakPolarHBondContact O-CB 3.45Å; V157-Y160 PolarHBondContact O-N 3.49Å; V157-V162 HydrophobicContact CB-CG2 3.87Å; V157-V162 HydrophobicContact CG2-CG2 3.56Å |
| 158 | E | 93.8 | Very high | 89.6 | Confident | 167 Ų | 167 | 116.9 Ų | 116.9 | 78% | 0.78 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.9 | 42.7 | 177.4 | -60.6 | -178.8 | 175.4 | 0 | 0 | 113.3 | Y160 | E158-Y160 HydrophobicContact CB-CD2 4.2Å; E158-Y160 HydrophobicContact CB-CE2 4.47Å; E158-Y160 WeakPolarHBondContact O-CD2 3.36Å; E158-Y160 WeakPolarHBondContact O-CE2 3.49Å; E158-Y160 PolarHBondContact O-N 3.04Å |
| 159 | E | 93.2 | Very high | 88.3 | Confident | 150 Ų | 150 | 114.6 Ų | 114.6 | 70% | 0.701 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.9 | 14.5 | -178.1 | -51 | 175.5 | 166 | 0 | 0 | 115.1 | L150 V157 | L150-E159 HydrophobicContact CD1-CB 3.98Å; L150-E159 WeakPolarHBondContact CD1-O 3.31Å; V157-E159 PolarHBondContact O-N 3.19Å |
| 160 | Y | 93.7 | Very high | 87.1 | Confident | 167 Ų | 167 | 113.8 Ų | 113.8 | 66% | 0.655 | 62% | 0.617 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 147.8 | 172 | -61.4 | -85.4 | 0 | 0 | 0 | 112.1 | T156 V157 E158 | T156-Y160 VanDerWaalsContact CA-O 3.27Å; T156-Y160 WeakPolarHBondContact CA-O 3.46Å; V157-Y160 PolarHBondContact N-O 3.03Å; V157-Y160 VanDerWaalsContact N-O 3.08Å; V157-Y160 WeakPolarHBondContact O-CB 3.45Å; V157-Y160 PolarHBondContact O-N 3.49Å; E158-Y160 HydrophobicContact CB-CD2 4.2Å; E158-Y160 HydrophobicContact CB-CE2 4.47Å; E158-Y160 WeakPolarHBondContact O-CD2 3.36Å; E158-Y160 WeakPolarHBondContact O-CE2 3.49Å; E158-Y160 PolarHBondContact O-N 3.04Å |
| 161 | F | 95 | Very high | 86 | Confident | 140 Ų | 140 | 114.9 Ų | 114.9 | 61% | 0.614 | 63% | 0.625 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.9 | 130.7 | 164.8 | -65 | -80.3 | 0 | 0 | 0 | 109.8 | L150 A153 | L150-F161 HydrophobicContact CD2-CD1 4.06Å; L150-F161 HydrophobicContact CD2-CD2 4.12Å; L150-F161 HydrophobicContact CD2-CE1 3.8Å; L150-F161 HydrophobicContact CD2-CE2 3.85Å; L150-F161 HydrophobicContact CD2-CG 4.23Å; L150-F161 HydrophobicContact CD2-CZ 3.68Å; A153-F161 HydrophobicContact CB-CD1 3.78Å; A153-F161 HydrophobicContact CB-CE1 3.76Å |
| 162 | V | 94.6 | Very high | 85 | Confident | 72 Ų | 72 | 113.1 Ų | 113.1 | 44% | 0.436 | 62% | 0.618 | S | S | . | * | trans | -90.4 | 123.7 | 175.7 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | D155 V157 | D155-V162 HydrophobicContact CB-CB 3.95Å; D155-V162 HydrophobicContact CB-CG2 4.32Å; D155-V162 PolarHBondContact O-N 3.34Å; V157-V162 HydrophobicContact CB-CG2 3.87Å; V157-V162 HydrophobicContact CG2-CG2 3.56Å | ||
| 163 | A | 91.7 | Very high | 83.9 | Confident | 78 Ų | 78 | 110.7 Ų | 110.7 | 65% | 0.645 | 60% | 0.597 | S | S | * | * | trans | -110.4 | 146.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 164 | P | 88.2 | Confident | 83.1 | Confident | 107 Ų | 107 | 116.5 Ų | 116.5 | 70% | 0.695 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 154.3 | 165.5 | -23.1 | 33.6 | 0 | 0 | 0 | 110.7 | G166 | P164-G166 PolarHBondContact O-N 3.26Š|
| 165 | P | 84.8 | Confident | 82.2 | Confident | 105 Ų | 105 | 111.9 Ų | 111.9 | 68% | 0.682 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 118 | 179.7 | 21.7 | -32.6 | 0 | 0 | 0 | 110.3 | ||
| 166 | G | 73.1 | Confident | 81.2 | Confident | 70 Ų | 70 | 110.1 Ų | 110.1 | 72% | 0.722 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -67.1 | 162.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P164 | P164-G166 PolarHBondContact O-N 3.26Š|
| 167 | N | 62.8 | Low | 80 | Confident | 166 Ų | 166 | 108.9 Ų | 108.9 | 89% | 0.888 | 58% | 0.584 | S | S | * | * | trans | 72.6 | 30.6 | -179.4 | -157.9 | 42.5 | 0 | 0 | 0 | 115.5 | P169 | N167-P169 WeakPolarHBondContact O-CD 3.45Š| ||
| 168 | I | 68.3 | Low | 78.8 | Confident | 124 Ų | 124 | 106 Ų | 106 | 64% | 0.636 | 57% | 0.57 | S | S | * | * | trans | -72.1 | 116 | 162.8 | -59.1 | 170.6 | 0 | 0 | 0 | 106.9 | L170 | I168-L170 PolarHBondContact O-N 3.38Š| ||
| 169 | P | 65.4 | Low | 77.5 | Confident | 109 Ų | 109 | 103 Ų | 103 | 71% | 0.708 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 129.4 | 176.1 | 24.9 | -31.9 | 0 | 0 | 0 | 108.2 | N167 | N167-P169 WeakPolarHBondContact O-CD 3.45Š|
| 170 | L | 66.9 | Low | 75.8 | Confident | 97 Ų | 97 | 97.2 Ų | 97.2 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 141.8 | 175.6 | -68.4 | 172.9 | 0 | 0 | 0 | 108.9 | R88 I168 K172 R176 | R88-L170 HydrophobicContact CB-CD1 4.41Å; R88-L170 HydrophobicContact CG-CD1 4.01Å; I168-L170 PolarHBondContact O-N 3.38Å; L170-K172 PolarHBondContact O-N 3.15Å; L170-R176 VanDerWaalsContact CB-NH2 3.28Å |
| 171 | P | 72.6 | Confident | 74.3 | Confident | 49 Ų | 49 | 97.8 Ų | 97.8 | 32% | 0.318 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 144.8 | 178 | -21.7 | 29.3 | 0 | 0 | 0 | 110.2 | E175 R176 | P171-E175 WeakPolarHBondContact CA-OE2 3.27Å; P171-E175 HydrophobicContact CB-CB 3.97Å; P171-R176 HydrophobicContact CB-CG 3.88Å; P171-R176 HydrophobicContact CG-CG 4.48Å; P171-R176 VanDerWaalsContact O-CZ 3.31Å; P171-R176 PolarHBondContact O-NE 3.35Å; P171-R176 PolarHBondContact O-NH2 3.47Å |
| 172 | K | 75.3 | Confident | 72.4 | Confident | 139 Ų | 139 | 97.7 Ų | 97.7 | 60% | 0.604 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 158.2 | 177.3 | -68 | -179.6 | -177.9 | 174.6 | 0 | 109.7 | L170 E174 E175 R176 | L170-K172 PolarHBondContact O-N 3.15Å; K172-E174 PolarHBondContact O-N 3.11Å; K172-E174 VanDerWaalsContact O-N 3.16Å; K172-E175 HydrophobicContact CB-CG 4.37Å; K172-E175 PolarHBondContact N-OE2 3.27Å; K172-E175 WeakPolarHBondContact O-CB 3.32Å; K172-E175 PolarHBondContact O-N 2.88Å; K172-R176 PolarHBondContact O-N 3.43Å |
| 173 | R | 71.1 | Confident | 70.4 | Confident | 117 Ų | 117 | 97.8 Ų | 97.8 | 44% | 0.442 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -53.4 | -39.3 | -178.4 | -178.1 | -179.3 | 170.9 | 177.2 | 2.6 | 112.5 | D81 D84 E175 R176 A177 | D81-R173 IonicContact OD1-CZ 2.7Å; D81-R173 IonicContact OD1-NH1 2.72Å; D81-R173 PolarHBondContact OD1-NH1 2.76Å; D81-R173 IonicContact OD1-NH2 2.96Å; D84-R173 WeakPolarHBondContact OD2-CD 3.5Å; R173-E175 VanDerWaalsContact C-N 3.35Å; R173-R176 PolarHBondContact O-N 3.06Å; R173-A177 WeakPolarHBondContact O-CB 3.2Å; R173-A177 PolarHBondContact O-N 3.41Å |
| 174 | E | 77.6 | Confident | 68.5 | Low | 148 Ų | 148 | 101.1 Ų | 101.1 | 69% | 0.692 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.1 | -40.5 | 176.8 | -62.9 | 121.4 | -162.9 | 0 | 0 | 112.3 | K172 A177 A178 | K172-E174 PolarHBondContact O-N 3.11Å; K172-E174 VanDerWaalsContact O-N 3.16Å; E174-A177 PolarHBondContact O-N 3.32Å; E174-A178 PolarHBondContact O-N 3.25Å |
| 175 | E | 75.3 | Confident | 66.2 | Low | 96 Ų | 96 | 108 Ų | 108 | 45% | 0.449 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.5 | -41.4 | 179.5 | -64.2 | 164.3 | -172.5 | 0 | 0 | 111 | P171 K172 R173 A178 I179 | P171-E175 WeakPolarHBondContact CA-OE2 3.27Å; P171-E175 HydrophobicContact CB-CB 3.97Å; K172-E175 HydrophobicContact CB-CG 4.37Å; K172-E175 PolarHBondContact N-OE2 3.27Å; K172-E175 WeakPolarHBondContact O-CB 3.32Å; K172-E175 PolarHBondContact O-N 2.88Å; R173-E175 VanDerWaalsContact C-N 3.35Å; E175-A178 WeakPolarHBondContact O-CB 3Å; E175-A178 PolarHBondContact O-N 3.03Å; E175-I179 VanDerWaalsContact O-CG1 3.31Å; E175-I179 WeakPolarHBondContact O-CG1 3.4Å; E175-I179 PolarHBondContact O-N 3.3Å |
| 176 | R | 71.4 | Confident | 65.2 | Low | 54 Ų | 54 | 108.2 Ų | 108.2 | 20% | 0.204 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -64.2 | -42 | 175 | -61.4 | -172.7 | -148.3 | 169.7 | 10.4 | 112.2 | L170 P171 K172 R173 A178 I179 L180 | L170-R176 VanDerWaalsContact CB-NH2 3.28Å; P171-R176 HydrophobicContact CB-CG 3.88Å; P171-R176 HydrophobicContact CG-CG 4.48Å; P171-R176 VanDerWaalsContact O-CZ 3.31Å; P171-R176 PolarHBondContact O-NE 3.35Å; P171-R176 PolarHBondContact O-NH2 3.47Å; K172-R176 PolarHBondContact O-N 3.43Å; R173-R176 PolarHBondContact O-N 3.06Å; R176-A178 PolarHBondContact O-N 3.09Å; R176-I179 PolarHBondContact O-N 3.29Å; R176-L180 WeakPolarHBondContact O-CG 3.39Å; R176-L180 PolarHBondContact O-N 3.34Å |
| 177 | A | 69.9 | Low | 64.8 | Low | 45 Ų | 45 | 110.2 Ų | 110.2 | 37% | 0.372 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.2 | -30.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R173 E174 R181 | R173-A177 WeakPolarHBondContact O-CB 3.2Å; R173-A177 PolarHBondContact O-N 3.41Å; E174-A177 PolarHBondContact O-N 3.32Å; A177-R181 WeakPolarHBondContact O-CG 3.25Å; A177-R181 PolarHBondContact O-N 3.23Å |
| 178 | A | 71.2 | Confident | 64.9 | Low | 27 Ų | 27 | 107.1 Ų | 107.1 | 22% | 0.223 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -69.9 | -47.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E174 E175 R176 L180 R181 H182 | E174-A178 PolarHBondContact O-N 3.25Å; E175-A178 WeakPolarHBondContact O-CB 3Å; E175-A178 PolarHBondContact O-N 3.03Å; R176-A178 PolarHBondContact O-N 3.09Å; A178-L180 VanDerWaalsContact C-N 3.31Å; A178-L180 PolarHBondContact O-N 3.06Å; A178-R181 WeakPolarHBondContact O-CB 3.37Å; A178-R181 PolarHBondContact O-N 3.39Å; A178-R181 VanDerWaalsContact O-N 3.15Å; A178-H182 PolarHBondContact O-CD2 3.08Å; A178-H182 PolarHBondContact O-N 3.15Å; A178-H182 PolarHBondContact O-NE2 2.88Å |
| 179 | I | 64.5 | Low | 64.7 | Low | 102 Ų | 102 | 106.1 Ų | 106.1 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -55.9 | -45.3 | 178.8 | -66.6 | 162.4 | 0 | 0 | 0 | 111.4 | E175 R176 R181 H182 S183 | E175-I179 VanDerWaalsContact O-CG1 3.31Å; E175-I179 WeakPolarHBondContact O-CG1 3.4Å; E175-I179 PolarHBondContact O-N 3.3Å; R176-I179 PolarHBondContact O-N 3.29Å; I179-R181 PolarHBondContact O-N 2.98Å; I179-H182 WeakPolarHBondContact O-CB 3.23Å; I179-H182 PolarHBondContact O-N 3.28Å; I179-H182 VanDerWaalsContact O-N 3.09Å; I179-S183 PolarHBondContact O-N 3.32Å |
| 180 | L | 59.4 | Low | 64.7 | Low | 30 Ų | 30 | 105.9 Ų | 105.9 | 16% | 0.157 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -67.3 | -34.1 | 179.9 | -70.3 | 168.2 | 0 | 0 | 0 | 113.2 | R95 R176 A178 H182 S183 E184 | R95-L180 HydrophobicContact CB-CD1 3.87Å; R95-L180 HydrophobicContact CG-CD1 4.14Å; R176-L180 WeakPolarHBondContact O-CG 3.39Å; R176-L180 PolarHBondContact O-N 3.34Å; A178-L180 VanDerWaalsContact C-N 3.31Å; A178-L180 PolarHBondContact O-N 3.06Å; L180-H182 PolarHBondContact O-N 3.12Å; L180-H182 VanDerWaalsContact O-N 3.15Å; L180-S183 WeakPolarHBondContact CA-OG 3.47Å; L180-S183 PolarHBondContact O-N 3.39Å; L180-S183 VanDerWaalsContact O-N 3.11Å; L180-S183 PolarHBondContact O-OG 2.99Å; L180-S183 VanDerWaalsContact O-OG 3.06Å; L180-E184 PolarHBondContact O-N 3.24Å |
| 181 | R | 61.7 | Low | 64.5 | Low | 179 Ų | 179 | 106.5 Ų | 106.5 | 68% | 0.675 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.4 | -19.9 | 172.9 | -77.9 | -169 | -64.7 | 159.3 | -1.4 | 113.1 | A177 A178 I179 | A177-R181 WeakPolarHBondContact O-CG 3.25Å; A177-R181 PolarHBondContact O-N 3.23Å; A178-R181 WeakPolarHBondContact O-CB 3.37Å; A178-R181 PolarHBondContact O-N 3.39Å; A178-R181 VanDerWaalsContact O-N 3.15Å; I179-R181 PolarHBondContact O-N 2.98Å |
| 182 | H | 55.4 | Low | 64 | Low | 137 Ų | 137 | 110.6 Ų | 110.6 | 63% | 0.634 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -96.3 | -12.6 | 178.2 | -53.9 | -47 | 0 | 0 | 0 | 112.9 | A178 I179 L180 | A178-H182 PolarHBondContact O-CD2 3.08Å; A178-H182 PolarHBondContact O-N 3.15Å; A178-H182 PolarHBondContact O-NE2 2.88Å; I179-H182 WeakPolarHBondContact O-CB 3.23Å; I179-H182 PolarHBondContact O-N 3.28Å; I179-H182 VanDerWaalsContact O-N 3.09Å; L180-H182 PolarHBondContact O-N 3.12Å; L180-H182 VanDerWaalsContact O-N 3.15Å |
| 183 | S | 52.1 | Low | 63.1 | Low | 75 Ų | 75 | 108.4 Ų | 108.4 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -98.5 | -1.7 | 178.3 | 69.7 | 0 | 0 | 0 | 0 | 114.1 | I179 L180 F185 | I179-S183 PolarHBondContact O-N 3.32Å; L180-S183 WeakPolarHBondContact CA-OG 3.47Å; L180-S183 PolarHBondContact O-N 3.39Å; L180-S183 VanDerWaalsContact O-N 3.11Å; L180-S183 PolarHBondContact O-OG 2.99Å; L180-S183 VanDerWaalsContact O-OG 3.06Å; S183-F185 PolarHBondContact O-N 3.18Å |
| 184 | E | 50.8 | Low | 62.4 | Low | 148 Ų | 148 | 107.7 Ų | 107.7 | 69% | 0.692 | 52% | 0.52 | S | S | * | . | trans | -82.1 | 19.9 | 173.7 | -69.3 | -163.7 | 157.3 | 0 | 0 | 113.4 | L180 | L180-E184 PolarHBondContact O-N 3.24Š| ||
| 185 | F | 39.9 | Very low | 61.1 | Low | 251 Ų | 251 | 104 Ų | 104 | 100% | 1.101 | 51% | 0.505 | S | S | * | . | trans | -102 | 0 | 167.4 | -78.9 | -76.2 | 0 | 0 | 0 | 111.5 | S183 | S183-F185 PolarHBondContact O-N 3.18Š|
Retrieved 185 of 185 residues in 102.6 ms
(Link to these results)