| 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 | 40.4 | Very low | 42.3 | Very low | 244 Ų | 244 | 156.4 Ų | 156.4 | 100% | 1.202 | 83% | 0.829 | S | S | * | * | 0 | 116.4 | 0 | -72.8 | -79.1 | -90.7 | 0 | 0 | 108.4 | |||||
| 2 | G | 44.6 | Very low | 42.1 | Very low | 76 Ų | 76 | 152.8 Ų | 152.8 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | trans | 69.3 | 107.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 3 | K | 48.7 | Very low | 41.5 | Very low | 193 Ų | 193 | 154.2 Ų | 154.2 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | cis | 50.9 | 125.5 | 45.3 | -71.2 | -168.2 | -174.7 | 178.2 | 0 | 110.7 | ||||
| 4 | N | 43.6 | Very low | 40.9 | Very low | 115 Ų | 115 | 158.2 Ų | 158.2 | 62% | 0.615 | 82% | 0.818 | S | S | * | * | cis | -176.8 | 143.9 | 23.7 | -89.7 | -19.5 | 0 | 0 | 0 | 108.7 | ||||
| 5 | K | 47.8 | Very low | 40.7 | Very low | 169 Ų | 169 | 159.8 Ų | 159.8 | 74% | 0.735 | 82% | 0.82 | S | S | * | * | 85.1 | 123.7 | 108.3 | -71.9 | -176.6 | 176.7 | -178.3 | 0 | 119.5 | |||||
| 6 | T | 40 | Very low | 40.4 | Very low | 136 Ų | 136 | 155.3 Ų | 155.3 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | 61.2 | 143.1 | 129.1 | 65.1 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 7 | G | 39.9 | Very low | 39.9 | Very low | 68 Ų | 68 | 157.2 Ų | 157.2 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | cis | 174.4 | 175.7 | 7.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 8 | K | 42.3 | Very low | 39.9 | Very low | 196 Ų | 196 | 158.7 Ų | 158.7 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | trans | 51.1 | 106.8 | 141.7 | -74.2 | -177.4 | 175.7 | -178.8 | 0 | 119.4 | ||||
| 9 | T | 41 | Very low | 39.4 | Very low | 125 Ų | 125 | 157.9 Ų | 157.9 | 77% | 0.767 | 82% | 0.821 | S | S | * | * | 63.9 | 128.4 | 95.5 | 49.3 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 10 | K | 39.2 | Very low | 39.1 | Very low | 210 Ų | 210 | 153.5 Ų | 153.5 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | -170.3 | 135.7 | 122.5 | -101 | 172.1 | -171.9 | -172.3 | 0 | 112.7 | |||||
| 11 | E | 37.5 | Very low | 39.1 | Very low | 188 Ų | 188 | 155.1 Ų | 155.1 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -71.7 | 160.4 | 170.5 | -57.7 | 170.9 | 125.6 | 0 | 0 | 112.5 | ||||
| 12 | S | 40 | Very low | 39.1 | Very low | 114 Ų | 114 | 151.2 Ų | 151.2 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | 180 | 115.4 | 125.4 | 35 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 13 | K | 34 | Very low | 39.2 | Very low | 170 Ų | 170 | 155 Ų | 155 | 74% | 0.739 | 80% | 0.804 | S | S | * | * | 70 | 110.7 | 83 | -106.2 | -171.6 | 178.4 | 168.7 | 0 | 115.2 | |||||
| 14 | R | 34.1 | Very low | 38.8 | Very low | 211 Ų | 211 | 150.4 Ų | 150.4 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | trans | 67.4 | 146.7 | 143.3 | -59.9 | 176.6 | 175.8 | -170.9 | -3 | 115.4 | ||||
| 15 | Q | 38 | Very low | 38.9 | Very low | 182 Ų | 182 | 155 Ų | 155 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | cis | -150 | 161.7 | 35.7 | -74.6 | 177.5 | -30.9 | 0 | 0 | 112 | ||||
| 16 | A | 35.8 | Very low | 38.6 | Very low | 88 Ų | 88 | 156.1 Ų | 156.1 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -64.7 | 151.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 17 | E | 30.9 | Very low | 38.7 | Very low | 187 Ų | 187 | 159 Ų | 159 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | -179.5 | 160.2 | 118 | -97.2 | -175.7 | -170.4 | 0 | 0 | 113.1 | |||||
| 18 | K | 39.9 | Very low | 39 | Very low | 184 Ų | 184 | 163.6 Ų | 163.6 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | trans | -57.8 | 152.6 | -169.3 | -62.6 | 149.4 | 176.6 | 171.8 | 0 | 113.1 | ||||
| 19 | T | 29.9 | Very low | 39.2 | Very low | 145 Ų | 145 | 163.8 Ų | 163.8 | 89% | 0.89 | 82% | 0.824 | S | S | * | * | 176.9 | 132.1 | 121.3 | 27.3 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 20 | G | 35 | Very low | 39 | Very low | 69 Ų | 69 | 161 Ų | 161 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | trans | -75.3 | 150.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 21 | Q | 39.3 | Very low | 39.4 | Very low | 188 Ų | 188 | 159.4 Ų | 159.4 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | trans | -160.8 | 122.5 | 151 | -108.6 | 169.7 | 23 | 0 | 0 | 110.2 | ||||
| 22 | N | 39.1 | Very low | 39.6 | Very low | 162 Ų | 162 | 153.5 Ų | 153.5 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | -64.4 | 132.3 | 169 | -71.4 | -68.4 | 0 | 0 | 0 | 110.1 | ||||
| 23 | L | 47.3 | Very low | 40.1 | Very low | 155 Ų | 155 | 157.9 Ų | 157.9 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | trans | -135.8 | 96.3 | 160.2 | -74.9 | 175.4 | 0 | 0 | 0 | 111.7 | ||||
| 24 | S | 40.6 | Very low | 40.8 | Very low | 96 Ų | 96 | 155 Ų | 155 | 67% | 0.671 | 81% | 0.813 | S | S | * | * | trans | 42.1 | 115.9 | 135.2 | 62.9 | 0 | 0 | 0 | 0 | 119.9 | K26 | S24-K26 PolarHBondContact O-N 3.41Å; S24-K26 VanDerWaalsContact O-N 3.1Å | ||
| 25 | K | 45.6 | Very low | 41.5 | Very low | 211 Ų | 211 | 153.5 Ų | 153.5 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | trans | -53.1 | 105.4 | 159.1 | -64.5 | 168.7 | -179.2 | 169.8 | 0 | 111.1 | ||||
| 26 | K | 41.1 | Very low | 42.2 | Very low | 194 Ų | 194 | 152.9 Ų | 152.9 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -92.2 | 108.4 | 156.8 | -97.3 | 179.8 | 176.9 | 175.6 | 0 | 108.7 | S24 I28 | S24-K26 PolarHBondContact O-N 3.41Å; S24-K26 VanDerWaalsContact O-N 3.1Å; K26-I28 PolarHBondContact O-N 3.3Å | ||
| 27 | K | 41.8 | Very low | 42.8 | Very low | 197 Ų | 197 | 153.7 Ų | 153.7 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -74.1 | 111.9 | 166.3 | -72.1 | -170.3 | 178.3 | -178.1 | 0 | 108.1 | K29 | K27-K29 PolarHBondContact O-N 3.49Š| ||
| 28 | I | 47.2 | Very low | 43.5 | Very low | 163 Ų | 163 | 148.7 Ų | 148.7 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -83.7 | 109.2 | 162 | -63.9 | 171.2 | 0 | 0 | 0 | 106.1 | K26 | K26-I28 PolarHBondContact O-N 3.3Š| ||
| 29 | K | 45.9 | Very low | 44.2 | Very low | 201 Ų | 201 | 146.3 Ų | 146.3 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -73.3 | 122.2 | 161.3 | -74.9 | -177.3 | 175.3 | -178.5 | 0 | 106.6 | K27 | K27-K29 PolarHBondContact O-N 3.49Š| ||
| 30 | G | 37.6 | Very low | 45.5 | Very low | 66 Ų | 66 | 146 Ų | 146 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | trans | -149.3 | 98.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | G32 | G30-G32 PolarHBondContact O-N 2.93Š| ||
| 31 | D | 47.3 | Very low | 46.8 | Very low | 177 Ų | 177 | 147.1 Ų | 147.1 | 95% | 0.947 | 76% | 0.756 | S | S | * | * | trans | -65.2 | 111.1 | 168.1 | -72.5 | -61.5 | 0 | 0 | 0 | 108.8 | ||||
| 32 | G | 41.7 | Very low | 48.2 | Very low | 63 Ų | 63 | 144 Ų | 144 | 65% | 0.649 | 74% | 0.741 | S | S | * | * | trans | -171.5 | 94.7 | 178 | 0 | 0 | 0 | 0 | 0 | 110.2 | G30 P34 | G30-G32 PolarHBondContact O-N 2.93Å; G32-P34 WeakPolarHBondContact O-CD 3.27Å | ||
| 33 | K | 49.9 | Very low | 49.8 | Very low | 206 Ų | 206 | 138.9 Ų | 138.9 | 90% | 0.896 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 121 | 172.6 | -68.3 | 172 | -179.4 | 171.9 | 0 | 108.9 | K35 | K33-K35 PolarHBondContact O-N 3.16Š|
| 34 | P | 48.9 | Very low | 51.3 | Low | 109 Ų | 109 | 137.5 Ų | 137.5 | 71% | 0.708 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 128 | 169.9 | 26.6 | -30.3 | 0 | 0 | 0 | 109 | G32 K36 | G32-P34 WeakPolarHBondContact O-CD 3.27Å; P34-K36 PolarHBondContact O-N 3.39Å |
| 35 | K | 49.3 | Very low | 53.2 | Low | 180 Ų | 180 | 140.5 Ų | 140.5 | 78% | 0.783 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -49 | 119.1 | 171.6 | -108.1 | 171.5 | 173.5 | 174.3 | 0 | 109.3 | K33 T37 | K33-K35 PolarHBondContact O-N 3.16Å; K35-T37 PolarHBondContact O-N 2.89Å; K35-T37 VanDerWaalsContact O-N 3.09Å |
| 36 | K | 51.4 | Low | 55 | Low | 170 Ų | 170 | 132.7 Ų | 132.7 | 74% | 0.739 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 3.6 | 179.7 | -76.2 | -176.4 | 176 | -178.8 | 0 | 114.7 | P34 | P34-K36 PolarHBondContact O-N 3.39Š|
| 37 | T | 49.3 | Very low | 57.6 | Low | 105 Ų | 105 | 127.9 Ų | 127.9 | 64% | 0.644 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -13.7 | -172.1 | 52.8 | 0 | 0 | 0 | 0 | 113.9 | K35 | K35-T37 PolarHBondContact O-N 2.89Å; K35-T37 VanDerWaalsContact O-N 3.09Å |
| 38 | T | 44.9 | Very low | 59.8 | Low | 82 Ų | 82 | 125.5 Ų | 125.5 | 50% | 0.503 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.9 | -22.7 | -179.8 | -45.5 | 0 | 0 | 0 | 0 | 112.9 | E40 H42 | T38-E40 PolarHBondContact O-N 3.43Å; T38-H42 PolarHBondContact O-CD2 3.34Å; T38-H42 PolarHBondContact O-NE2 3.4Å |
| 39 | Q | 54.1 | Low | 61.9 | Low | 133 Ų | 133 | 127.2 Ų | 127.2 | 62% | 0.621 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.6 | -32.2 | -177 | -72.5 | -174 | -14.1 | 0 | 0 | 113 | D41 L43 | Q39-D41 VanDerWaalsContact C-N 3.29Å; Q39-D41 PolarHBondContact O-N 3.21Å; Q39-L43 WeakPolarHBondContact O-CD1 3.34Å |
| 40 | E | 57.9 | Low | 64 | Low | 139 Ų | 139 | 122 Ų | 122 | 65% | 0.65 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.2 | -29.3 | -179 | -66.1 | -172.2 | 168 | 0 | 0 | 112.6 | T38 L43 Q44 | T38-E40 PolarHBondContact O-N 3.43Å; E40-L43 PolarHBondContact O-N 2.99Å; E40-Q44 WeakPolarHBondContact O-CG 3.48Å |
| 41 | D | 63.2 | Low | 66.6 | Low | 93 Ų | 93 | 121.8 Ų | 121.8 | 50% | 0.497 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -73.5 | -38 | -172.6 | -139.1 | 2.8 | 0 | 0 | 0 | 112.5 | Q39 L43 Q44 H45 | Q39-D41 VanDerWaalsContact C-N 3.29Å; Q39-D41 PolarHBondContact O-N 3.21Å; D41-L43 VanDerWaalsContact C-N 3.34Å; D41-L43 PolarHBondContact O-N 3.45Å; D41-Q44 PolarHBondContact O-N 3.12Å; D41-H45 PolarHBondContact O-ND1 3.36Å |
| 42 | H | 68.6 | Low | 68.7 | Low | 123 Ų | 123 | 118.7 Ų | 118.7 | 57% | 0.569 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -72.2 | -27.8 | 176.3 | -53.9 | -53.8 | 0 | 0 | 0 | 112.7 | T38 Q44 H45 I46 | T38-H42 PolarHBondContact O-CD2 3.34Å; T38-H42 PolarHBondContact O-NE2 3.4Å; H42-Q44 VanDerWaalsContact C-N 3.27Å; H42-Q44 PolarHBondContact O-N 3.06Å; H42-H45 PolarHBondContact O-N 3.32Å; H42-I46 WeakPolarHBondContact O-CG1 3.45Å |
| 43 | L | 72.2 | Confident | 71.2 | Confident | 53 Ų | 53 | 120.2 Ų | 120.2 | 28% | 0.277 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.3 | -26.5 | 176.8 | -80 | 149.8 | 0 | 0 | 0 | 112 | Q39 E40 D41 H45 I46 R51 | Q39-L43 WeakPolarHBondContact O-CD1 3.34Å; E40-L43 PolarHBondContact O-N 2.99Å; D41-L43 VanDerWaalsContact C-N 3.34Å; D41-L43 PolarHBondContact O-N 3.45Å; L43-H45 VanDerWaalsContact C-N 3.33Å; L43-I46 HydrophobicContact CD2-CD1 4.43Å; L43-I46 PolarHBondContact O-N 3.12Å; L43-R51 HydrophobicContact CD2-CG 4.15Å; L43-R51 PolarHBondContact O-NE 3.22Å; L43-R51 PolarHBondContact O-NH2 3.25Å |
| 44 | Q | 78.3 | Confident | 73.1 | Confident | 127 Ų | 127 | 114.3 Ų | 114.3 | 59% | 0.593 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.2 | -30 | 179.3 | -61.6 | -164.7 | 21.2 | 0 | 0 | 112.9 | E40 D41 H42 I46 R51 | E40-Q44 WeakPolarHBondContact O-CG 3.48Å; D41-Q44 PolarHBondContact O-N 3.12Å; H42-Q44 VanDerWaalsContact C-N 3.27Å; H42-Q44 PolarHBondContact O-N 3.06Å; Q44-I46 VanDerWaalsContact C-N 3.35Å; Q44-R51 VanDerWaalsContact C-NH2 3.31Å; Q44-R51 VanDerWaalsContact CA-NH2 3.33Å; Q44-R51 PolarHBondContact O-NH2 3.42Å |
| 45 | H | 81.4 | Confident | 75.1 | Confident | 159 Ų | 159 | 114.5 Ų | 114.5 | 74% | 0.736 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -82 | -13.9 | 177.2 | -65.3 | 81.1 | 0 | 0 | 0 | 113.1 | D41 H42 L43 | D41-H45 PolarHBondContact O-ND1 3.36Å; H42-H45 PolarHBondContact O-N 3.32Å; L43-H45 VanDerWaalsContact C-N 3.33Å |
| 46 | I | 83.4 | Confident | 77 | Confident | 46 Ų | 46 | 109.2 Ų | 109.2 | 24% | 0.236 | 53% | 0.532 | C | S | . | . | S | Bend | trans | -79.6 | 133.1 | 175.3 | -63.8 | 171.3 | 0 | 0 | 0 | 109.3 | H42 L43 Q44 F48 L50 R51 | H42-I46 WeakPolarHBondContact O-CG1 3.45Å; L43-I46 HydrophobicContact CD2-CD1 4.43Å; L43-I46 PolarHBondContact O-N 3.12Å; Q44-I46 VanDerWaalsContact C-N 3.35Å; I46-F48 PolarHBondContact O-N 2.87Å; I46-L50 HydrophobicContact CG2-CB 3.84Å; I46-L50 HydrophobicContact CG2-CD2 3.95Å; I46-L50 HydrophobicContact CG2-CG 3.95Å; I46-R51 HydrophobicContact CG2-CB 4.46Å; I46-R51 PolarHBondContact O-NH2 3.47Å |
| 47 | P | 94.8 | Very high | 78.8 | Confident | 94 Ų | 94 | 107.4 Ų | 107.4 | 61% | 0.61 | 52% | 0.524 | S | S | * | . | trans | -50.3 | 137.1 | 174.8 | -28.8 | 35 | 0 | 0 | 0 | 112.8 | R49 L50 R51 | P47-R49 VanDerWaalsContact C-N 3.27Å; P47-R49 PolarHBondContact O-N 3.05Å; P47-R49 VanDerWaalsContact O-N 3.1Å; P47-L50 PolarHBondContact O-N 2.9Å; P47-R51 PolarHBondContact O-N 3.37Å | ||
| 48 | F | 89 | Confident | 80.6 | Confident | 147 Ų | 147 | 106.4 Ų | 106.4 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -48.2 | -45.3 | -171.6 | 177.1 | -94.7 | 0 | 0 | 0 | 113.7 | I46 L50 R51 E52 | I46-F48 PolarHBondContact O-N 2.87Å; F48-L50 VanDerWaalsContact C-N 3.34Å; F48-L50 PolarHBondContact O-N 3.44Å; F48-R51 WeakPolarHBondContact O-CB 3.4Å; F48-R51 PolarHBondContact O-N 2.69Å; F48-E52 WeakPolarHBondContact CE1-OE2 3.18Å; F48-E52 PolarHBondContact O-N 3.47Å |
| 49 | R | 91.4 | Very high | 82.5 | Confident | 199 Ų | 199 | 108.9 Ų | 108.9 | 75% | 0.751 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.2 | -38.8 | -178.5 | -166.5 | 170.6 | -174.2 | 168.5 | 1.2 | 112.7 | P47 I53 | P47-R49 VanDerWaalsContact C-N 3.27Å; P47-R49 PolarHBondContact O-N 3.05Å; P47-R49 VanDerWaalsContact O-N 3.1Å; R49-I53 HydrophobicContact CG-CD1 4.29Å; R49-I53 WeakPolarHBondContact O-CD1 3.33Å; R49-I53 WeakPolarHBondContact O-CG1 3.34Å; R49-I53 PolarHBondContact O-N 3.43Å; R49-I53 VanDerWaalsContact O-N 3.15Å |
| 50 | L | 90.4 | Very high | 83.6 | Confident | 90 Ų | 90 | 108.4 Ų | 108.4 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -73.9 | -38.3 | 178.3 | -174.5 | 58.8 | 0 | 0 | 0 | 111 | I46 P47 F48 E52 I53 M54 | I46-L50 HydrophobicContact CG2-CB 3.84Å; I46-L50 HydrophobicContact CG2-CD2 3.95Å; I46-L50 HydrophobicContact CG2-CG 3.95Å; P47-L50 PolarHBondContact O-N 2.9Å; F48-L50 VanDerWaalsContact C-N 3.34Å; F48-L50 PolarHBondContact O-N 3.44Å; L50-E52 VanDerWaalsContact C-N 3.32Å; L50-E52 PolarHBondContact O-N 2.9Å; L50-I53 PolarHBondContact O-N 3.04Å; L50-M54 HydrophobicContact CG-SD 4.38Å; L50-M54 VanDerWaalsContact O-CG 3.31Å; L50-M54 WeakPolarHBondContact O-CG 3.4Å; L50-M54 PolarHBondContact O-N 2.88Å |
| 51 | R | 91.7 | Very high | 84.8 | Confident | 62 Ų | 62 | 107.6 Ų | 107.6 | 23% | 0.234 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -57.2 | -44.2 | 172.7 | -174.4 | -168.4 | -53.5 | 177.5 | 9.2 | 111.7 | L43 Q44 I46 P47 F48 K55 | L43-R51 HydrophobicContact CD2-CG 4.15Å; L43-R51 PolarHBondContact O-NE 3.22Å; L43-R51 PolarHBondContact O-NH2 3.25Å; Q44-R51 VanDerWaalsContact C-NH2 3.31Å; Q44-R51 VanDerWaalsContact CA-NH2 3.33Å; Q44-R51 PolarHBondContact O-NH2 3.42Å; I46-R51 HydrophobicContact CG2-CB 4.46Å; I46-R51 PolarHBondContact O-NH2 3.47Å; P47-R51 PolarHBondContact O-N 3.37Å; F48-R51 WeakPolarHBondContact O-CB 3.4Å; F48-R51 PolarHBondContact O-N 2.69Å; R51-K55 WeakPolarHBondContact O-CB 3.47Å; R51-K55 WeakPolarHBondContact O-CG 3.47Å; R51-K55 PolarHBondContact O-N 3.2Å |
| 52 | E | 91.5 | Very high | 85.4 | Confident | 112 Ų | 112 | 108.7 Ų | 108.7 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68 | -42.8 | 179.7 | -169.8 | 175.9 | -165.1 | 0 | 0 | 112.3 | F48 L50 M54 K55 S56 | F48-E52 WeakPolarHBondContact CE1-OE2 3.18Å; F48-E52 PolarHBondContact O-N 3.47Å; L50-E52 VanDerWaalsContact C-N 3.32Å; L50-E52 PolarHBondContact O-N 2.9Å; E52-M54 PolarHBondContact O-N 3.23Å; E52-K55 PolarHBondContact O-N 2.9Å; E52-S56 WeakPolarHBondContact O-CB 3.35Å; E52-S56 PolarHBondContact O-N 3.04Å |
| 53 | I | 93.4 | Very high | 85.2 | Confident | 95 Ų | 95 | 109 Ų | 109 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 175.6 | -68.3 | 164.3 | 0 | 0 | 0 | 111 | R49 L50 S56 K57 | R49-I53 HydrophobicContact CG-CD1 4.29Å; R49-I53 WeakPolarHBondContact O-CD1 3.33Å; R49-I53 WeakPolarHBondContact O-CG1 3.34Å; R49-I53 PolarHBondContact O-N 3.43Å; R49-I53 VanDerWaalsContact O-N 3.15Å; L50-I53 PolarHBondContact O-N 3.04Å; I53-S56 PolarHBondContact O-N 3.41Å; I53-K57 WeakPolarHBondContact O-CB 3.44Å; I53-K57 PolarHBondContact O-N 3.5Å |
| 54 | M | 90.5 | Very high | 84.6 | Confident | 82 Ų | 82 | 110.7 Ų | 110.7 | 40% | 0.404 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 177.1 | -70.9 | 179.6 | 71.5 | 0 | 0 | 111.3 | L50 E52 S56 K57 D58 | L50-M54 HydrophobicContact CG-SD 4.38Å; L50-M54 VanDerWaalsContact O-CG 3.31Å; L50-M54 WeakPolarHBondContact O-CG 3.4Å; L50-M54 PolarHBondContact O-N 2.88Å; E52-M54 PolarHBondContact O-N 3.23Å; M54-S56 VanDerWaalsContact C-N 3.32Å; M54-S56 PolarHBondContact O-N 2.96Å; M54-K57 PolarHBondContact O-N 2.91Å; M54-D58 PolarHBondContact O-N 2.78Å |
| 55 | K | 90.4 | Very high | 83.6 | Confident | 114 Ų | 114 | 111.6 Ų | 111.6 | 50% | 0.496 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57.8 | -42.4 | 175.9 | -77 | -177.6 | 177.1 | -171.2 | 0 | 112.5 | R51 E52 K59 | R51-K55 WeakPolarHBondContact O-CB 3.47Å; R51-K55 WeakPolarHBondContact O-CG 3.47Å; R51-K55 PolarHBondContact O-N 3.2Å; E52-K55 PolarHBondContact O-N 2.9Å; K55-K59 VanDerWaalsContact O-CG 3.3Å; K55-K59 WeakPolarHBondContact O-CG 3.41Å; K55-K59 PolarHBondContact O-N 3.38Å; K55-K59 VanDerWaalsContact O-N 3.14Å |
| 56 | S | 89.4 | Confident | 82.3 | Confident | 69 Ų | 69 | 106.2 Ų | 106.2 | 48% | 0.483 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 177.1 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | E52 I53 M54 D58 K59 M60 | E52-S56 WeakPolarHBondContact O-CB 3.35Å; E52-S56 PolarHBondContact O-N 3.04Å; I53-S56 PolarHBondContact O-N 3.41Å; M54-S56 VanDerWaalsContact C-N 3.32Å; M54-S56 PolarHBondContact O-N 2.96Å; S56-D58 VanDerWaalsContact C-N 3.33Å; S56-D58 PolarHBondContact O-N 3.41Å; S56-K59 WeakPolarHBondContact O-CB 3.32Å; S56-K59 PolarHBondContact O-N 2.87Å; S56-M60 WeakPolarHBondContact O-CG 3.44Å; S56-M60 PolarHBondContact O-N 3.21Å |
| 57 | K | 90 | Very high | 80.9 | Confident | 132 Ų | 132 | 105.8 Ų | 105.8 | 57% | 0.574 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.4 | -37.6 | 178.6 | -167 | 173 | -178 | 180 | 0 | 112.6 | I53 M54 K61 | I53-K57 WeakPolarHBondContact O-CB 3.44Å; I53-K57 PolarHBondContact O-N 3.5Å; M54-K57 PolarHBondContact O-N 2.91Å; K57-K61 WeakPolarHBondContact O-CG 3.32Å; K57-K61 PolarHBondContact O-N 3.24Å |
| 58 | D | 85.6 | Confident | 79.1 | Confident | 83 Ų | 83 | 110.7 Ų | 110.7 | 44% | 0.444 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -70.3 | -38.7 | 176.4 | -67.7 | -26.6 | 0 | 0 | 0 | 112 | M54 S56 K61 N62 | M54-D58 PolarHBondContact O-N 2.78Å; S56-D58 VanDerWaalsContact C-N 3.33Å; S56-D58 PolarHBondContact O-N 3.41Å; D58-K61 PolarHBondContact O-N 2.83Å; D58-N62 WeakPolarHBondContact O-CB 3.29Å; D58-N62 VanDerWaalsContact O-CG 3.23Å; D58-N62 PolarHBondContact O-N 3.15Å; D58-N62 PolarHBondContact O-ND2 3.48Å; D58-N62 VanDerWaalsContact O-ND2 3.14Å |
| 59 | K | 85.3 | Confident | 77.3 | Confident | 135 Ų | 135 | 112.8 Ų | 112.8 | 59% | 0.587 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59 | -48.4 | 172 | -70.8 | 173.6 | -178.9 | -169.9 | 0 | 111.4 | K55 S56 K61 N62 E63 | K55-K59 VanDerWaalsContact O-CG 3.3Å; K55-K59 WeakPolarHBondContact O-CG 3.41Å; K55-K59 PolarHBondContact O-N 3.38Å; K55-K59 VanDerWaalsContact O-N 3.14Å; S56-K59 WeakPolarHBondContact O-CB 3.32Å; S56-K59 PolarHBondContact O-N 2.87Å; K59-K61 VanDerWaalsContact C-N 3.33Å; K59-K61 PolarHBondContact O-N 2.93Å; K59-N62 PolarHBondContact O-N 3.14Å; K59-E63 WeakPolarHBondContact O-CB 3.32Å; K59-E63 WeakPolarHBondContact O-CG 3.4Å; K59-E63 PolarHBondContact O-N 3Å |
| 60 | M | 78 | Confident | 75.5 | Confident | 122 Ų | 122 | 109.5 Ų | 109.5 | 60% | 0.601 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.8 | -39.6 | 177.7 | -68.5 | -65.5 | -63.7 | 0 | 0 | 112.7 | S56 S64 | S56-M60 WeakPolarHBondContact O-CG 3.44Å; S56-M60 PolarHBondContact O-N 3.21Å; M60-S64 PolarHBondContact O-N 2.93Å; M60-S64 VanDerWaalsContact O-N 3.16Å |
| 61 | K | 82.8 | Confident | 73.6 | Confident | 122 Ų | 122 | 113.6 Ų | 113.6 | 53% | 0.53 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.7 | -43.3 | 175.6 | -80.7 | -178.8 | 173.6 | -174.8 | 0 | 111.9 | K57 D58 K59 S64 | K57-K61 WeakPolarHBondContact O-CG 3.32Å; K57-K61 PolarHBondContact O-N 3.24Å; D58-K61 PolarHBondContact O-N 2.83Å; K59-K61 VanDerWaalsContact C-N 3.33Å; K59-K61 PolarHBondContact O-N 2.93Å; K61-S64 PolarHBondContact O-N 3.06Å; K61-S64 PolarHBondContact O-OG 3.04Å |
| 62 | N | 74.4 | Confident | 71.6 | Confident | 116 Ų | 116 | 119 Ų | 119 | 62% | 0.62 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.3 | -37 | -178.9 | -66.8 | -27.9 | 0 | 0 | 0 | 112.4 | D58 K59 S64 L65 | D58-N62 WeakPolarHBondContact O-CB 3.29Å; D58-N62 VanDerWaalsContact O-CG 3.23Å; D58-N62 PolarHBondContact O-N 3.15Å; D58-N62 PolarHBondContact O-ND2 3.48Å; D58-N62 VanDerWaalsContact O-ND2 3.14Å; K59-N62 PolarHBondContact O-N 3.14Å; N62-S64 VanDerWaalsContact C-N 3.34Å; N62-S64 PolarHBondContact O-N 3.23Å; N62-L65 PolarHBondContact O-N 3.27Å |
| 63 | E | 64.9 | Low | 69.4 | Low | 130 Ų | 130 | 117.6 Ų | 117.6 | 61% | 0.607 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.3 | -36.9 | 174.7 | -75.6 | 168 | -167.6 | 0 | 0 | 112.2 | K59 L65 G66 | K59-E63 WeakPolarHBondContact O-CB 3.32Å; K59-E63 WeakPolarHBondContact O-CG 3.4Å; K59-E63 PolarHBondContact O-N 3Å; E63-L65 PolarHBondContact O-N 3.1Å; E63-G66 PolarHBondContact O-N 3.16Å |
| 64 | S | 59.8 | Low | 67.3 | Low | 88 Ų | 88 | 120.3 Ų | 120.3 | 62% | 0.615 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.4 | -24.1 | 178.4 | 77.1 | 0 | 0 | 0 | 0 | 114.1 | M60 K61 N62 | M60-S64 PolarHBondContact O-N 2.93Å; M60-S64 VanDerWaalsContact O-N 3.16Å; K61-S64 PolarHBondContact O-N 3.06Å; K61-S64 PolarHBondContact O-OG 3.04Å; N62-S64 VanDerWaalsContact C-N 3.34Å; N62-S64 PolarHBondContact O-N 3.23Å |
| 65 | L | 57.8 | Low | 65.2 | Low | 147 Ų | 147 | 121.1 Ų | 121.1 | 77% | 0.77 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -12.8 | -179.8 | -63.4 | 174.2 | 0 | 0 | 0 | 113.3 | N62 E63 | N62-L65 PolarHBondContact O-N 3.27Å; E63-L65 PolarHBondContact O-N 3.1Å |
| 66 | G | 54.1 | Low | 63.3 | Low | 46 Ų | 46 | 122.9 Ų | 122.9 | 47% | 0.474 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93 | -10.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | E63 K68 | E63-G66 PolarHBondContact O-N 3.16Å; G66-K68 VanDerWaalsContact C-N 3.29Å; G66-K68 PolarHBondContact O-N 2.87Å; G66-K68 VanDerWaalsContact O-N 3.14Å |
| 67 | G | 54.6 | Low | 61.3 | Low | 36 Ų | 36 | 127.8 Ų | 127.8 | 37% | 0.371 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -70.1 | -10 | -167.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 68 | K | 55.6 | Low | 59.2 | Low | 198 Ų | 198 | 127.2 Ų | 127.2 | 86% | 0.861 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -77.4 | -22.1 | -177.1 | -71.6 | -177.2 | 179.7 | 179.3 | 0 | 114.1 | G66 | G66-K68 VanDerWaalsContact C-N 3.29Å; G66-K68 PolarHBondContact O-N 2.87Å; G66-K68 VanDerWaalsContact O-N 3.14Å |
| 69 | K | 52.1 | Low | 57.5 | Low | 190 Ų | 190 | 132.1 Ų | 132.1 | 83% | 0.826 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -88.7 | -26 | -179.3 | -66.6 | -166.1 | 178.9 | -174.4 | 0 | 113.8 | ||
| 70 | L | 53.5 | Low | 55.6 | Low | 131 Ų | 131 | 131.6 Ų | 131.6 | 69% | 0.686 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -79.6 | -27.1 | -178.8 | -74.3 | 163.9 | 0 | 0 | 0 | 113.4 | K72 A73 | L70-K72 PolarHBondContact O-N 2.99Å; L70-A73 PolarHBondContact O-N 3.22Å |
| 71 | K | 50.7 | Low | 54.2 | Low | 175 Ų | 175 | 132.6 Ų | 132.6 | 76% | 0.761 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -19.6 | 177.5 | -71.6 | -165 | 174.7 | -168.3 | 0 | 114.2 | ||
| 72 | K | 49.4 | Very low | 53 | Low | 177 Ų | 177 | 134.5 Ų | 134.5 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -20.1 | -178.6 | -137.8 | 175.4 | -175 | -177.7 | 0 | 113.3 | L70 | L70-K72 PolarHBondContact O-N 2.99Š|
| 73 | A | 45.5 | Very low | 51.8 | Low | 81 Ų | 81 | 132.6 Ų | 132.6 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -21.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L70 | L70-A73 PolarHBondContact O-N 3.22Š|
| 74 | L | 48 | Very low | 51.3 | Low | 153 Ų | 153 | 133 Ų | 133 | 80% | 0.801 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -90.9 | -6.1 | -179.6 | -70.1 | 165.1 | 0 | 0 | 0 | 113.8 | ||
| 75 | S | 47.8 | Very low | 51.3 | Low | 98 Ų | 98 | 137.4 Ų | 137.4 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -92 | 1.3 | -174.1 | -175.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 76 | L | 49.2 | Very low | 51.6 | Low | 151 Ų | 151 | 132 Ų | 132 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -111 | 19 | -169.7 | -74.8 | 176.2 | 0 | 0 | 0 | 115.3 | ||
| 77 | Q | 49.1 | Very low | 52.7 | Low | 172 Ų | 172 | 134.8 Ų | 134.8 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -129.3 | 123.1 | 177.3 | -70.6 | -91.2 | -23.6 | 0 | 0 | 110.7 | ||
| 78 | S | 45.7 | Very low | 54 | Low | 120 Ų | 120 | 134.7 Ų | 134.7 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | trans | 79.9 | 123.4 | 167.7 | 73.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 79 | K | 48.2 | Very low | 55.3 | Low | 186 Ų | 186 | 129 Ų | 129 | 81% | 0.809 | 71% | 0.711 | S | S | * | * | trans | -66.2 | 147 | 164.2 | -64.9 | -175.9 | 175.1 | -175.1 | 0 | 109.2 | N81 | K79-N81 PolarHBondContact O-N 3.24Š| ||
| 80 | P | 45.7 | Very low | 56.7 | Low | 125 Ų | 125 | 125.9 Ų | 125.9 | 81% | 0.812 | 71% | 0.708 | S | S | * | * | trans | -79.9 | 110.9 | 176.3 | 32.7 | -28.8 | 0 | 0 | 0 | 108.4 | ||||
| 81 | N | 49.9 | Very low | 58.2 | Low | 142 Ų | 142 | 121.6 Ų | 121.6 | 76% | 0.759 | 69% | 0.687 | S | S | * | * | trans | -117.9 | 111.1 | 160 | -80.7 | -32.1 | 0 | 0 | 0 | 106.6 | K79 A83 | K79-N81 PolarHBondContact O-N 3.24Å; N81-A83 PolarHBondContact O-N 2.97Å | ||
| 82 | D | 55.9 | Low | 60 | Low | 162 Ų | 162 | 124.7 Ų | 124.7 | 87% | 0.866 | 69% | 0.694 | S | S | * | * | trans | 41.8 | 52.7 | 157.6 | -56.2 | -28.5 | 0 | 0 | 0 | 117.6 | L84 | D82-L84 PolarHBondContact O-N 3.11Š| ||
| 83 | A | 51.3 | Low | 61.7 | Low | 76 Ų | 76 | 119.2 Ų | 119.2 | 63% | 0.628 | 67% | 0.671 | S | S | * | * | trans | -84.9 | 102.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | N81 D85 | N81-A83 PolarHBondContact O-N 2.97Å; A83-D85 PolarHBondContact O-N 3.28Å | ||
| 84 | L | 54 | Low | 63.8 | Low | 140 Ų | 140 | 125.5 Ų | 125.5 | 73% | 0.733 | 68% | 0.677 | S | S | * | * | trans | -54.7 | 136.7 | 162.2 | -66.3 | 177.2 | 0 | 0 | 0 | 108.3 | D82 G86 D87 | D82-L84 PolarHBondContact O-N 3.11Å; L84-G86 PolarHBondContact O-N 3.11Å; L84-D87 PolarHBondContact O-N 3.28Å | ||
| 85 | D | 59.7 | Low | 65.9 | Low | 179 Ų | 179 | 123.9 Ų | 123.9 | 96% | 0.957 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | 98.8 | -166.9 | -160.4 | 17.8 | 0 | 0 | 0 | 111.5 | A83 | A83-D85 PolarHBondContact O-N 3.28Š|
| 86 | G | 64.4 | Low | 67.8 | Low | 34 Ų | 34 | 120.6 Ų | 120.6 | 35% | 0.351 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 126.6 | -9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | L84 Q122 R125 | L84-G86 PolarHBondContact O-N 3.11Å; G86-Q122 PolarHBondContact O-NE2 3.36Å; G86-Q122 VanDerWaalsContact O-NE2 3.13Å; G86-R125 PolarHBondContact O-NH2 3.05Å |
| 87 | D | 76.9 | Confident | 69.7 | Low | 105 Ų | 105 | 124.1 Ų | 124.1 | 56% | 0.561 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 137.5 | -179.2 | -77.1 | -11.8 | 0 | 0 | 0 | 112.8 | L84 A89 R125 | L84-D87 PolarHBondContact O-N 3.28Å; D87-A89 PolarHBondContact O-N 3.36Å; D87-R125 IonicContact OD1-NH1 3.37Å |
| 88 | I | 81.2 | Confident | 71.7 | Confident | 34 Ų | 34 | 123 Ų | 123 | 17% | 0.174 | 66% | 0.659 | C | S | . | * | P | Polyproline II helix | trans | -72.7 | 118.3 | -179.3 | -57.2 | 167.6 | 0 | 0 | 0 | 108.2 | V90 V115 L118 T119 Q122 | I88-V90 PolarHBondContact O-N 3.02Å; I88-V115 HydrophobicContact CG2-CG1 4.04Å; I88-V115 HydrophobicContact CG2-CG2 4.34Å; I88-L118 HydrophobicContact CD1-CB 3.73Å; I88-L118 HydrophobicContact CG1-CB 4.08Å; I88-L118 HydrophobicContact CG2-CB 4.23Å; I88-L118 HydrophobicContact CG2-CD1 4.03Å; I88-T119 VanDerWaalsContact CD1-CA 3.41Å; I88-T119 VanDerWaalsContact CD1-OG1 3.26Å; I88-T119 WeakPolarHBondContact CD1-OG1 3.43Å; I88-Q122 HydrophobicContact CD1-CG 4.1Å |
| 89 | A | 82.9 | Confident | 73.9 | Confident | 79 Ų | 79 | 118.9 Ų | 118.9 | 65% | 0.653 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 120.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | D87 P91 | D87-A89 PolarHBondContact O-N 3.36Å; A89-P91 VanDerWaalsContact O-CD 3.26Å; A89-P91 WeakPolarHBondContact O-CD 3.31Å |
| 90 | V | 82.6 | Confident | 76.2 | Confident | 124 Ų | 124 | 113.6 Ų | 113.6 | 75% | 0.752 | 61% | 0.614 | S | S | * | * | trans | -81.2 | 114.3 | 178.4 | 180 | 0 | 0 | 0 | 0 | 109.5 | I88 | I88-V90 PolarHBondContact O-N 3.02Š| ||
| 91 | P | 84.9 | Confident | 78.4 | Confident | 40 Ų | 40 | 112.1 Ų | 112.1 | 26% | 0.26 | 60% | 0.602 | S | S | . | * | trans | -67.3 | 136.1 | 179.8 | -18.9 | 33 | 0 | 0 | 0 | 111.7 | A89 F93 E111 V115 | A89-P91 VanDerWaalsContact O-CD 3.26Å; A89-P91 WeakPolarHBondContact O-CD 3.31Å; P91-F93 HydrophobicContact CB-CE1 4.15Å; P91-F93 HydrophobicContact CB-CE2 4.18Å; P91-F93 HydrophobicContact CB-CZ 3.81Å; P91-F93 HydrophobicContact CG-CZ 4.34Å; P91-E111 VanDerWaalsContact CB-OE2 3.24Å; P91-E111 WeakPolarHBondContact CB-OE2 3.48Å; P91-E111 HydrophobicContact CG-CB 4.36Å; P91-V115 HydrophobicContact CG-CG2 3.8Å | ||
| 92 | R | 87.1 | Confident | 80.6 | Confident | 240 Ų | 240 | 107.5 Ų | 107.5 | 91% | 0.906 | 59% | 0.587 | S | S | * | * | trans | -98.7 | 102.6 | 174.2 | -66.1 | -174.4 | -179.9 | -160.7 | 0.3 | 109.2 | R94 | R92-R94 PolarHBondContact O-N 3.23Š| ||
| 93 | F | 86.1 | Confident | 82.4 | Confident | 62 Ų | 62 | 101.9 Ų | 101.9 | 27% | 0.272 | 56% | 0.564 | S | S | . | * | trans | -77.6 | 123.1 | -178.4 | -59.4 | -71.8 | 0 | 0 | 0 | 112.1 | P91 Y104 M108 E111 | P91-F93 HydrophobicContact CB-CE1 4.15Å; P91-F93 HydrophobicContact CB-CE2 4.18Å; P91-F93 HydrophobicContact CB-CZ 3.81Å; P91-F93 HydrophobicContact CG-CZ 4.34Å; F93-Y104 HydrophobicContact CB-CE2 4.21Å; F93-Y104 WeakPolarHBondContact CB-OH 3.21Å; F93-M108 HydrophobicContact CD1-CB 4.07Å; F93-M108 HydrophobicContact CD1-CG 4.03Å; F93-M108 HydrophobicContact CD2-CG 4.01Å; F93-M108 HydrophobicContact CE1-CB 4.11Å; F93-M108 HydrophobicContact CE1-CG 4.08Å; F93-M108 HydrophobicContact CE2-CG 4.07Å; F93-M108 HydrophobicContact CG-CB 4.47Å; F93-M108 HydrophobicContact CG-CG 3.99Å; F93-M108 HydrophobicContact CZ-CG 4.1Å; F93-E111 HydrophobicContact CE1-CB 3.63Å; F93-E111 HydrophobicContact CE1-CG 4.17Å; F93-E111 WeakPolarHBondContact CE1-OE2 3.36Å; F93-E111 HydrophobicContact CZ-CB 3.62Å | ||
| 94 | R | 89.8 | Confident | 84.5 | Confident | 213 Ų | 213 | 100.9 Ų | 100.9 | 80% | 0.804 | 54% | 0.544 | S | S | * | . | trans | -135.7 | 144.9 | 167.6 | -68.8 | -171.2 | 172.7 | -169.1 | -2.6 | 109.5 | R92 G96 R107 | R92-R94 PolarHBondContact O-N 3.23Å; R94-G96 PolarHBondContact O-N 2.97Å; R94-R107 PolarHBondContact O-NH2 3.43Å | ||
| 95 | K | 90.7 | Very high | 86.4 | Confident | 119 Ų | 119 | 97.3 Ų | 97.3 | 52% | 0.517 | 53% | 0.528 | S | S | . | . | trans | -72.8 | 123.4 | 178.1 | -165.7 | -171.5 | 171.9 | -172.6 | 0 | 110.4 | E99 Y104 | K95-E99 WeakPolarHBondContact CA-OE1 3.45Å; K95-E99 HydrophobicContact CD-CG 4.49Å; K95-E99 WeakPolarHBondContact CE-O 3.41Å; K95-E99 HydrophobicContact CG-CG 3.62Å; K95-E99 WeakPolarHBondContact CG-OE1 3.42Å; K95-Y104 HydrophobicContact CB-CD2 4.24Å; K95-Y104 HydrophobicContact CB-CE2 4.43Å; K95-Y104 HydrophobicContact CG-CD2 4.39Å; K95-Y104 HydrophobicContact CG-CG 4.34Å | ||
| 96 | G | 87.8 | Confident | 88.1 | Confident | 30 Ų | 30 | 97.4 Ų | 97.4 | 31% | 0.309 | 52% | 0.515 | S | S | . | . | trans | -63.9 | 152.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R94 T98 E99 | R94-G96 PolarHBondContact O-N 2.97Å; G96-T98 VanDerWaalsContact C-N 3.27Å; G96-T98 PolarHBondContact O-N 2.9Å; G96-E99 PolarHBondContact N-OE1 3.12Å; G96-E99 PolarHBondContact N-OE2 3.02Å; G96-E99 WeakPolarHBondContact O-CG 3.17Å | ||
| 97 | K | 90.6 | Very high | 89.5 | Confident | 224 Ų | 224 | 99.4 Ų | 99.4 | 97% | 0.974 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -30.9 | -176.9 | -64.1 | -179.6 | -179.9 | -177.3 | 0 | 113.3 | ||
| 98 | T | 91.4 | Very high | 90.3 | Very high | 148 Ų | 148 | 97.6 Ų | 97.6 | 91% | 0.908 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.2 | 3.7 | -173.4 | 52.9 | 0 | 0 | 0 | 0 | 113.6 | G96 | G96-T98 VanDerWaalsContact C-N 3.27Å; G96-T98 PolarHBondContact O-N 2.9Å |
| 99 | E | 91.5 | Very high | 90.9 | Very high | 35 Ų | 35 | 100.6 Ų | 100.6 | 16% | 0.164 | 51% | 0.514 | C | S | . | . | trans | -90.9 | 142 | -176.4 | 76.9 | -169.2 | -166.6 | 0 | 0 | 112.7 | K95 G96 Y104 R107 | K95-E99 WeakPolarHBondContact CA-OE1 3.45Å; K95-E99 HydrophobicContact CD-CG 4.49Å; K95-E99 WeakPolarHBondContact CE-O 3.41Å; K95-E99 HydrophobicContact CG-CG 3.62Å; K95-E99 WeakPolarHBondContact CG-OE1 3.42Å; G96-E99 PolarHBondContact N-OE1 3.12Å; G96-E99 PolarHBondContact N-OE2 3.02Å; G96-E99 WeakPolarHBondContact O-CG 3.17Å; E99-Y104 WeakPolarHBondContact OE1-CB 3.26Å; E99-Y104 WeakPolarHBondContact OE1-CD2 3.47Å; E99-R107 VanDerWaalsContact CD-NH2 3.28Å; E99-R107 IonicContact OE1-CZ 3.09Å; E99-R107 IonicContact OE1-NH1 3.42Å; E99-R107 IonicContact OE1-NH2 3.44Å; E99-R107 PolarHBondContact OE1-NH2 3.09Å; E99-R107 IonicContact OE2-CZ 3.77Å; E99-R107 IonicContact OE2-NH1 2.71Å; E99-R107 PolarHBondContact OE2-NH1 3.35Å; E99-R107 IonicContact OE2-NH2 3.53Å; E99-R107 PolarHBondContact OE2-NH2 3.39Å | ||
| 100 | S | 94.9 | Very high | 91.5 | Very high | 75 Ų | 75 | 101.7 Ų | 101.7 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | trans | -71.4 | 156.3 | 170.3 | 70.8 | 0 | 0 | 0 | 0 | 110.6 | G102 A103 Y104 | S100-G102 VanDerWaalsContact C-N 3.28Å; S100-G102 PolarHBondContact O-N 3.01Å; S100-A103 PolarHBondContact O-N 3.42Å; S100-A103 WeakPolarHBondContact OG-CB 3.42Å; S100-A103 PolarHBondContact OG-N 3.14Å; S100-Y104 PolarHBondContact O-N 2.87Å; S100-Y104 VanDerWaalsContact O-N 3.09Å | ||
| 101 | V | 92.8 | Very high | 92 | Very high | 94 Ų | 94 | 98.8 Ų | 98.8 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.9 | -42 | 178.3 | 178 | 0 | 0 | 0 | 0 | 110.9 | A103 Y104 V105 | V101-A103 PolarHBondContact O-N 3.16Å; V101-Y104 WeakPolarHBondContact O-CB 3.18Å; V101-Y104 PolarHBondContact O-N 3.2Å; V101-V105 WeakPolarHBondContact O-CG2 3.4Å; V101-V105 PolarHBondContact O-N 3.03Å; V101-V105 VanDerWaalsContact O-N 3.1Å |
| 102 | G | 95.6 | Very high | 92.3 | Very high | 44 Ų | 44 | 100.4 Ų | 100.4 | 45% | 0.454 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S100 R106 | S100-G102 VanDerWaalsContact C-N 3.28Å; S100-G102 PolarHBondContact O-N 3.01Å; G102-R106 WeakPolarHBondContact O-CG 3.42Å; G102-R106 PolarHBondContact O-N 2.85Å; G102-R106 VanDerWaalsContact O-N 3.11Å |
| 103 | A | 94 | Very high | 92.6 | Very high | 44 Ų | 44 | 94.1 Ų | 94.1 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.1 | -37.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S100 V101 R107 | S100-A103 PolarHBondContact O-N 3.42Å; S100-A103 WeakPolarHBondContact OG-CB 3.42Å; S100-A103 PolarHBondContact OG-N 3.14Å; V101-A103 PolarHBondContact O-N 3.16Å; A103-R107 PolarHBondContact O-N 2.76Å |
| 104 | Y | 94.7 | Very high | 92.9 | Very high | 55 Ų | 55 | 96.5 Ų | 96.5 | 22% | 0.216 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -59.6 | -51.1 | 173.3 | 173.2 | -109.5 | 0 | 0 | 0 | 111.9 | F93 K95 E99 S100 V101 R106 R107 M108 | F93-Y104 HydrophobicContact CB-CE2 4.21Å; F93-Y104 WeakPolarHBondContact CB-OH 3.21Å; K95-Y104 HydrophobicContact CB-CD2 4.24Å; K95-Y104 HydrophobicContact CB-CE2 4.43Å; K95-Y104 HydrophobicContact CG-CD2 4.39Å; K95-Y104 HydrophobicContact CG-CG 4.34Å; E99-Y104 WeakPolarHBondContact OE1-CB 3.26Å; E99-Y104 WeakPolarHBondContact OE1-CD2 3.47Å; S100-Y104 PolarHBondContact O-N 2.87Å; S100-Y104 VanDerWaalsContact O-N 3.09Å; V101-Y104 WeakPolarHBondContact O-CB 3.18Å; V101-Y104 PolarHBondContact O-N 3.2Å; Y104-R106 VanDerWaalsContact C-N 3.34Å; Y104-R106 PolarHBondContact O-N 2.95Å; Y104-R107 PolarHBondContact O-N 2.75Å; Y104-M108 PolarHBondContact O-N 3.21Å |
| 105 | V | 95.3 | Very high | 93 | Very high | 66 Ų | 66 | 88 Ų | 88 | 40% | 0.4 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | -178.7 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | V101 R107 M108 E109 | V101-V105 WeakPolarHBondContact O-CG2 3.4Å; V101-V105 PolarHBondContact O-N 3.03Å; V101-V105 VanDerWaalsContact O-N 3.1Å; V105-R107 PolarHBondContact O-N 3.37Å; V105-M108 WeakPolarHBondContact O-CB 3.5Å; V105-M108 PolarHBondContact O-N 3Å; V105-E109 WeakPolarHBondContact O-CB 3.46Å; V105-E109 PolarHBondContact O-N 3.4Å |
| 106 | R | 94.9 | Very high | 93 | Very high | 180 Ų | 180 | 87 Ų | 87 | 68% | 0.679 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.6 | -41.2 | 176.7 | -73.1 | 178.3 | -178.9 | -172.7 | 1 | 112.8 | G102 Y104 E109 N110 | G102-R106 WeakPolarHBondContact O-CG 3.42Å; G102-R106 PolarHBondContact O-N 2.85Å; G102-R106 VanDerWaalsContact O-N 3.11Å; Y104-R106 VanDerWaalsContact C-N 3.34Å; Y104-R106 PolarHBondContact O-N 2.95Å; R106-E109 PolarHBondContact O-N 2.96Å; R106-N110 WeakPolarHBondContact O-CB 3.47Å; R106-N110 PolarHBondContact O-N 3.44Å; R106-N110 PolarHBondContact O-ND2 3.36Å |
| 107 | R | 94.1 | Very high | 93.2 | Very high | 76 Ų | 76 | 91.5 Ų | 91.5 | 29% | 0.287 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 175.4 | 180 | 177.1 | 64.1 | -109.9 | 8.2 | 110.7 | R94 E99 A103 Y104 V105 E109 N110 E111 | R94-R107 PolarHBondContact O-NH2 3.43Å; E99-R107 VanDerWaalsContact CD-NH2 3.28Å; E99-R107 IonicContact OE1-CZ 3.09Å; E99-R107 IonicContact OE1-NH1 3.42Å; E99-R107 IonicContact OE1-NH2 3.44Å; E99-R107 PolarHBondContact OE1-NH2 3.09Å; E99-R107 IonicContact OE2-CZ 3.77Å; E99-R107 IonicContact OE2-NH1 2.71Å; E99-R107 PolarHBondContact OE2-NH1 3.35Å; E99-R107 IonicContact OE2-NH2 3.53Å; E99-R107 PolarHBondContact OE2-NH2 3.39Å; A103-R107 PolarHBondContact O-N 2.76Å; Y104-R107 PolarHBondContact O-N 2.75Å; V105-R107 PolarHBondContact O-N 3.37Å; R107-E109 VanDerWaalsContact C-N 3.33Å; R107-E109 PolarHBondContact O-N 3.16Å; R107-N110 PolarHBondContact O-N 3.24Å; R107-E111 WeakPolarHBondContact CD-OE1 3.48Å; R107-E111 HydrophobicContact CG-CG 4.42Å; R107-E111 WeakPolarHBondContact CG-OE1 3.47Å; R107-E111 WeakPolarHBondContact O-CB 3.49Å; R107-E111 WeakPolarHBondContact O-CG 3.47Å; R107-E111 PolarHBondContact O-N 3.1Å |
| 108 | M | 93.8 | Very high | 93.2 | Very high | 67 Ų | 67 | 83.8 Ų | 83.8 | 33% | 0.33 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 178.4 | -174.2 | -159.5 | 71.2 | 0 | 0 | 111.6 | F93 Y104 V105 T112 | F93-M108 HydrophobicContact CD1-CB 4.07Å; F93-M108 HydrophobicContact CD1-CG 4.03Å; F93-M108 HydrophobicContact CD2-CG 4.01Å; F93-M108 HydrophobicContact CE1-CB 4.11Å; F93-M108 HydrophobicContact CE1-CG 4.08Å; F93-M108 HydrophobicContact CE2-CG 4.07Å; F93-M108 HydrophobicContact CG-CB 4.47Å; F93-M108 HydrophobicContact CG-CG 3.99Å; F93-M108 HydrophobicContact CZ-CG 4.1Å; Y104-M108 PolarHBondContact O-N 3.21Å; V105-M108 WeakPolarHBondContact O-CB 3.5Å; V105-M108 PolarHBondContact O-N 3Å; M108-T112 VanDerWaalsContact O-CB 3.27Å; M108-T112 WeakPolarHBondContact O-CB 3.3Å; M108-T112 PolarHBondContact O-N 2.92Å; M108-T112 PolarHBondContact O-OG1 3.17Å |
| 109 | E | 94.6 | Very high | 92.9 | Very high | 98 Ų | 98 | 80.1 Ų | 80.1 | 46% | 0.458 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 177.9 | -175.1 | 171.3 | -160 | 0 | 0 | 112 | V105 R106 R107 E111 T112 Q113 | V105-E109 WeakPolarHBondContact O-CB 3.46Å; V105-E109 PolarHBondContact O-N 3.4Å; R106-E109 PolarHBondContact O-N 2.96Å; R107-E109 VanDerWaalsContact C-N 3.33Å; R107-E109 PolarHBondContact O-N 3.16Å; E109-E111 PolarHBondContact O-N 2.98Å; E109-T112 PolarHBondContact O-N 2.82Å; E109-Q113 WeakPolarHBondContact O-CB 3.48Å; E109-Q113 VanDerWaalsContact O-CG 3.31Å; E109-Q113 WeakPolarHBondContact O-CG 3.38Å; E109-Q113 PolarHBondContact O-N 3.42Å |
| 110 | N | 93.8 | Very high | 92.7 | Very high | 102 Ų | 102 | 83.9 Ų | 83.9 | 55% | 0.545 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 179.3 | -69 | -17.4 | 0 | 0 | 0 | 112.4 | R106 R107 T112 Q113 H114 | R106-N110 WeakPolarHBondContact O-CB 3.47Å; R106-N110 PolarHBondContact O-N 3.44Å; R106-N110 PolarHBondContact O-ND2 3.36Å; R107-N110 PolarHBondContact O-N 3.24Å; N110-T112 VanDerWaalsContact C-N 3.34Å; N110-Q113 PolarHBondContact O-N 3.46Å; N110-H114 WeakPolarHBondContact O-CB 3.45Å; N110-H114 PolarHBondContact O-N 2.92Å |
| 111 | E | 93 | Very high | 92.2 | Very high | 63 Ų | 63 | 85.3 Ų | 85.3 | 29% | 0.294 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.9 | -37.2 | 178.4 | -74.4 | 179.1 | -151.1 | 0 | 0 | 111.3 | P91 F93 R107 E109 H114 V115 | P91-E111 VanDerWaalsContact CB-OE2 3.24Å; P91-E111 WeakPolarHBondContact CB-OE2 3.48Å; P91-E111 HydrophobicContact CG-CB 4.36Å; F93-E111 HydrophobicContact CE1-CB 3.63Å; F93-E111 HydrophobicContact CE1-CG 4.17Å; F93-E111 WeakPolarHBondContact CE1-OE2 3.36Å; F93-E111 HydrophobicContact CZ-CB 3.62Å; R107-E111 WeakPolarHBondContact CD-OE1 3.48Å; R107-E111 HydrophobicContact CG-CG 4.42Å; R107-E111 WeakPolarHBondContact CG-OE1 3.47Å; R107-E111 WeakPolarHBondContact O-CB 3.49Å; R107-E111 WeakPolarHBondContact O-CG 3.47Å; R107-E111 PolarHBondContact O-N 3.1Å; E109-E111 PolarHBondContact O-N 2.98Å; E111-H114 PolarHBondContact O-N 3.28Å; E111-V115 WeakPolarHBondContact O-CG2 3.39Å; E111-V115 PolarHBondContact O-N 3.06Å |
| 112 | T | 92.9 | Very high | 91.5 | Very high | 73 Ų | 73 | 84.1 Ų | 84.1 | 45% | 0.448 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 175.2 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | M108 E109 N110 H114 V115 L116 | M108-T112 VanDerWaalsContact O-CB 3.27Å; M108-T112 WeakPolarHBondContact O-CB 3.3Å; M108-T112 PolarHBondContact O-N 2.92Å; M108-T112 PolarHBondContact O-OG1 3.17Å; E109-T112 PolarHBondContact O-N 2.82Å; N110-T112 VanDerWaalsContact C-N 3.34Å; T112-H114 VanDerWaalsContact C-N 3.28Å; T112-H114 PolarHBondContact O-N 3.49Å; T112-V115 PolarHBondContact O-N 2.97Å; T112-L116 WeakPolarHBondContact O-CB 3.2Å; T112-L116 PolarHBondContact O-N 3.36Å |
| 113 | Q | 93.4 | Very high | 90.3 | Very high | 109 Ų | 109 | 86.9 Ų | 86.9 | 51% | 0.509 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 175 | -73 | 178 | 1.8 | 0 | 0 | 111.6 | E109 N110 L116 F117 | E109-Q113 WeakPolarHBondContact O-CB 3.48Å; E109-Q113 VanDerWaalsContact O-CG 3.31Å; E109-Q113 WeakPolarHBondContact O-CG 3.38Å; E109-Q113 PolarHBondContact O-N 3.42Å; N110-Q113 PolarHBondContact O-N 3.46Å; Q113-L116 PolarHBondContact O-N 2.95Å; Q113-F117 WeakPolarHBondContact O-CB 3.49Å; Q113-F117 PolarHBondContact O-N 3.45Å |
| 114 | H | 91.4 | Very high | 89.1 | Confident | 112 Ų | 112 | 92 Ų | 92 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.2 | -45.9 | 177.8 | 179.2 | -111.8 | 0 | 0 | 0 | 112.3 | N110 E111 T112 F117 L118 | N110-H114 WeakPolarHBondContact O-CB 3.45Å; N110-H114 PolarHBondContact O-N 2.92Å; E111-H114 PolarHBondContact O-N 3.28Å; T112-H114 VanDerWaalsContact C-N 3.28Å; T112-H114 PolarHBondContact O-N 3.49Å; H114-F117 WeakPolarHBondContact O-CB 3.43Å; H114-F117 PolarHBondContact O-N 3.19Å; H114-L118 WeakPolarHBondContact O-CG 3.37Å; H114-L118 PolarHBondContact O-N 2.88Å |
| 115 | V | 91.4 | Very high | 87.9 | Confident | 33 Ų | 33 | 95.4 Ų | 95.4 | 20% | 0.2 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -61 | -46.6 | 174.7 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | I88 P91 E111 T112 F117 L118 T119 | I88-V115 HydrophobicContact CG2-CG1 4.04Å; I88-V115 HydrophobicContact CG2-CG2 4.34Å; P91-V115 HydrophobicContact CG-CG2 3.8Å; E111-V115 WeakPolarHBondContact O-CG2 3.39Å; E111-V115 PolarHBondContact O-N 3.06Å; T112-V115 PolarHBondContact O-N 2.97Å; V115-F117 VanDerWaalsContact C-N 3.3Å; V115-F117 PolarHBondContact O-N 3.33Å; V115-L118 PolarHBondContact O-N 3.2Å; V115-L118 VanDerWaalsContact O-N 3.13Å; V115-T119 PolarHBondContact O-N 3.35Å; V115-T119 PolarHBondContact O-OG1 3.01Å |
| 116 | L | 91.3 | Very high | 86.6 | Confident | 98 Ų | 98 | 97.6 Ų | 97.6 | 51% | 0.513 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59 | -42.6 | 177 | -179.5 | 61.6 | 0 | 0 | 0 | 111.9 | T112 Q113 T119 N120 | T112-L116 WeakPolarHBondContact O-CB 3.2Å; T112-L116 PolarHBondContact O-N 3.36Å; Q113-L116 PolarHBondContact O-N 2.95Å; L116-T119 PolarHBondContact O-N 2.91Å; L116-N120 WeakPolarHBondContact O-CB 3.37Å; L116-N120 PolarHBondContact O-N 3.36Å; L116-N120 PolarHBondContact O-ND2 3.47Å |
| 117 | F | 92 | Very high | 85.2 | Confident | 126 Ų | 126 | 94.3 Ų | 94.3 | 55% | 0.553 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.9 | -47.4 | 174.1 | 172.7 | -95.9 | 0 | 0 | 0 | 111.4 | Q113 H114 V115 T119 N120 N121 | Q113-F117 WeakPolarHBondContact O-CB 3.49Å; Q113-F117 PolarHBondContact O-N 3.45Å; H114-F117 WeakPolarHBondContact O-CB 3.43Å; H114-F117 PolarHBondContact O-N 3.19Å; V115-F117 VanDerWaalsContact C-N 3.3Å; V115-F117 PolarHBondContact O-N 3.33Å; F117-T119 VanDerWaalsContact C-N 3.34Å; F117-T119 PolarHBondContact O-N 3.03Å; F117-N120 PolarHBondContact O-N 2.92Å; F117-N121 WeakPolarHBondContact CD2-ND2 3.37Å; F117-N121 WeakPolarHBondContact CE1-ND2 3.42Å; F117-N121 WeakPolarHBondContact CE2-ND2 3.47Å; F117-N121 WeakPolarHBondContact CZ-ND2 3.37Å; F117-N121 PolarHBondContact O-N 2.96Å; F117-N121 PolarHBondContact O-ND2 3.49Å |
| 118 | L | 89.8 | Confident | 84 | Confident | 62 Ų | 62 | 99.5 Ų | 99.5 | 33% | 0.325 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 177.2 | -68.5 | 177.1 | 0 | 0 | 0 | 111 | I88 H114 V115 N120 N121 Q122 | I88-L118 HydrophobicContact CD1-CB 3.73Å; I88-L118 HydrophobicContact CG1-CB 4.08Å; I88-L118 HydrophobicContact CG2-CB 4.23Å; I88-L118 HydrophobicContact CG2-CD1 4.03Å; H114-L118 WeakPolarHBondContact O-CG 3.37Å; H114-L118 PolarHBondContact O-N 2.88Å; V115-L118 PolarHBondContact O-N 3.2Å; V115-L118 VanDerWaalsContact O-N 3.13Å; L118-N120 PolarHBondContact O-N 3.39Å; L118-N121 PolarHBondContact O-N 3.1Å; L118-N121 VanDerWaalsContact O-N 3.13Å; L118-Q122 WeakPolarHBondContact O-CG 3.48Å; L118-Q122 PolarHBondContact O-N 2.96Å |
| 119 | T | 86.1 | Confident | 82.6 | Confident | 70 Ų | 70 | 100 Ų | 100 | 43% | 0.429 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 178.9 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | I88 V115 L116 F117 N121 Q122 | I88-T119 VanDerWaalsContact CD1-CA 3.41Å; I88-T119 VanDerWaalsContact CD1-OG1 3.26Å; I88-T119 WeakPolarHBondContact CD1-OG1 3.43Å; V115-T119 PolarHBondContact O-N 3.35Å; V115-T119 PolarHBondContact O-OG1 3.01Å; L116-T119 PolarHBondContact O-N 2.91Å; F117-T119 VanDerWaalsContact C-N 3.34Å; F117-T119 PolarHBondContact O-N 3.03Å; T119-N121 PolarHBondContact O-N 3.07Å; T119-Q122 PolarHBondContact O-N 3.45Å |
| 120 | N | 87.8 | Confident | 81.1 | Confident | 115 Ų | 115 | 101.8 Ų | 101.8 | 62% | 0.615 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.7 | -23.5 | 180 | -69.2 | -17.1 | 0 | 0 | 0 | 113.2 | L116 F117 L118 | L116-N120 WeakPolarHBondContact O-CB 3.37Å; L116-N120 PolarHBondContact O-N 3.36Å; L116-N120 PolarHBondContact O-ND2 3.47Å; F117-N120 PolarHBondContact O-N 2.92Å; L118-N120 PolarHBondContact O-N 3.39Å |
| 121 | N | 83.7 | Confident | 79.5 | Confident | 105 Ų | 105 | 101 Ų | 101 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -91.4 | -6 | 176.5 | -72.4 | -68 | 0 | 0 | 0 | 113.1 | F117 L118 T119 | F117-N121 WeakPolarHBondContact CD2-ND2 3.37Å; F117-N121 WeakPolarHBondContact CE1-ND2 3.42Å; F117-N121 WeakPolarHBondContact CE2-ND2 3.47Å; F117-N121 WeakPolarHBondContact CZ-ND2 3.37Å; F117-N121 PolarHBondContact O-N 2.96Å; F117-N121 PolarHBondContact O-ND2 3.49Å; L118-N121 PolarHBondContact O-N 3.1Å; L118-N121 VanDerWaalsContact O-N 3.13Å; T119-N121 PolarHBondContact O-N 3.07Å |
| 122 | Q | 78.8 | Confident | 77.9 | Confident | 68 Ų | 68 | 103.4 Ų | 103.4 | 32% | 0.318 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -77.2 | 139 | 172 | -64.9 | -161.9 | -18 | 0 | 0 | 110 | G86 I88 L118 T119 E124 | G86-Q122 PolarHBondContact O-NE2 3.36Å; G86-Q122 VanDerWaalsContact O-NE2 3.13Å; I88-Q122 HydrophobicContact CD1-CG 4.1Å; L118-Q122 WeakPolarHBondContact O-CG 3.48Å; L118-Q122 PolarHBondContact O-N 2.96Å; T119-Q122 PolarHBondContact O-N 3.45Å; Q122-E124 PolarHBondContact O-N 3.19Å |
| 123 | V | 69.6 | Low | 76.3 | Confident | 103 Ų | 103 | 106.2 Ų | 106.2 | 62% | 0.624 | 53% | 0.533 | S | S | * | . | trans | -64.8 | 132.7 | 167.4 | 179.8 | 0 | 0 | 0 | 0 | 107.1 | R125 | V123-R125 PolarHBondContact O-N 3.46Š| ||
| 124 | E | 69.7 | Low | 74.5 | Confident | 151 Ų | 151 | 104 Ų | 104 | 71% | 0.706 | 52% | 0.523 | S | S | * | . | trans | -49.5 | 105.2 | 172.2 | -76.7 | -176.5 | 179.9 | 0 | 0 | 109.2 | Q122 K126 | Q122-E124 PolarHBondContact O-N 3.19Å; E124-K126 PolarHBondContact O-N 3.44Å | ||
| 125 | R | 68.3 | Low | 72.8 | Confident | 127 Ų | 127 | 106 Ų | 106 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | trans | -72.7 | 118.8 | 172.2 | -68.7 | -167.3 | -170 | 90.8 | -2.1 | 106.4 | G86 D87 V123 P127 | G86-R125 PolarHBondContact O-NH2 3.05Å; D87-R125 IonicContact OD1-NH1 3.37Å; V123-R125 PolarHBondContact O-N 3.46Å; R125-P127 WeakPolarHBondContact O-CD 3.44Å | ||
| 126 | K | 67.8 | Low | 71.1 | Confident | 112 Ų | 112 | 111.1 Ų | 111.1 | 49% | 0.487 | 55% | 0.552 | S | S | . | * | trans | -103.6 | 79.1 | 170.6 | -64.8 | -171.3 | -179.4 | -174.3 | 0 | 107.1 | E124 E128 L129 Q134 | E124-K126 PolarHBondContact O-N 3.44Å; K126-E128 PolarHBondContact O-N 2.76Å; K126-L129 HydrophobicContact CB-CB 4.09Å; K126-L129 WeakPolarHBondContact O-CB 3.49Å; K126-L129 PolarHBondContact O-N 2.98Å; K126-Q134 PolarHBondContact O-OE1 3.49Å | ||
| 127 | P | 66 | Low | 69.3 | Low | 110 Ų | 110 | 109.5 Ų | 109.5 | 71% | 0.714 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -20.4 | -176.2 | 25.7 | -35.1 | 0 | 0 | 0 | 112.7 | R125 L129 | R125-P127 WeakPolarHBondContact O-CD 3.44Å; P127-L129 VanDerWaalsContact C-N 3.27Å; P127-L129 PolarHBondContact O-N 3.18Å |
| 128 | E | 69.1 | Low | 67.6 | Low | 185 Ų | 185 | 106.9 Ų | 106.9 | 86% | 0.864 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -3.9 | 175.6 | -53.7 | -60.6 | 151.3 | 0 | 0 | 114.4 | K126 | K126-E128 PolarHBondContact O-N 2.76Š|
| 129 | L | 64.1 | Low | 65.9 | Low | 77 Ų | 77 | 107.2 Ų | 107.2 | 40% | 0.403 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -109.9 | 128.2 | -174.2 | -151.8 | 88.1 | 0 | 0 | 0 | 111.2 | K126 P127 K133 | K126-L129 HydrophobicContact CB-CB 4.09Å; K126-L129 WeakPolarHBondContact O-CB 3.49Å; K126-L129 PolarHBondContact O-N 2.98Å; P127-L129 VanDerWaalsContact C-N 3.27Å; P127-L129 PolarHBondContact O-N 3.18Å; L129-K133 HydrophobicContact CD2-CB 3.51Å; L129-K133 HydrophobicContact CG-CB 4.11Å |
| 130 | E | 63.5 | Low | 64.6 | Low | 136 Ų | 136 | 109.4 Ų | 109.4 | 64% | 0.636 | 57% | 0.57 | S | S | * | * | trans | -43.3 | 135.3 | 173.2 | -75.1 | -74.5 | 167.6 | 0 | 0 | 112.9 | D132 K133 | E130-D132 PolarHBondContact O-N 2.99Å; E130-K133 PolarHBondContact O-N 3.06Å | ||
| 131 | P | 59 | Low | 63.8 | Low | 86 Ų | 86 | 106.4 Ų | 106.4 | 56% | 0.558 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -57.1 | -33.3 | -167.8 | 22.2 | -33.4 | 0 | 0 | 0 | 113.3 | K133 Q134 E135 | P131-K133 PolarHBondContact O-N 2.82Å; P131-Q134 PolarHBondContact O-N 3.34Å; P131-E135 PolarHBondContact O-N 3.38Å |
| 132 | D | 59.6 | Low | 62.9 | Low | 114 Ų | 114 | 110.7 Ų | 110.7 | 61% | 0.61 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.7 | -20.7 | 178.8 | -76.3 | -6.5 | 0 | 0 | 0 | 114.8 | E130 K136 | E130-D132 PolarHBondContact O-N 2.99Å; D132-K136 VanDerWaalsContact O-CD 3.23Å; D132-K136 WeakPolarHBondContact O-CD 3.36Å; D132-K136 WeakPolarHBondContact O-CE 3.31Å; D132-K136 WeakPolarHBondContact O-CG 3.35Å |
| 133 | K | 59.7 | Low | 62.8 | Low | 132 Ų | 132 | 110.4 Ų | 110.4 | 57% | 0.574 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -95.6 | -21.3 | -179.9 | -66.9 | 178.6 | -176.8 | 171.2 | 0 | 112.1 | L129 E130 P131 | L129-K133 HydrophobicContact CD2-CB 3.51Å; L129-K133 HydrophobicContact CG-CB 4.11Å; E130-K133 PolarHBondContact O-N 3.06Å; P131-K133 PolarHBondContact O-N 2.82Å |
| 134 | Q | 56.7 | Low | 63.4 | Low | 61 Ų | 61 | 108.4 Ų | 108.4 | 29% | 0.285 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -79.8 | -41.7 | -178 | -165.5 | 159.4 | -11.7 | 0 | 0 | 112 | K126 P131 K136 A137 | K126-Q134 PolarHBondContact O-OE1 3.49Å; P131-Q134 PolarHBondContact O-N 3.34Å; Q134-K136 VanDerWaalsContact C-N 3.28Å; Q134-K136 PolarHBondContact O-N 3.23Å; Q134-A137 PolarHBondContact O-N 2.96Å |
| 135 | E | 55 | Low | 64.1 | Low | 156 Ų | 156 | 108.9 Ų | 108.9 | 73% | 0.729 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.4 | -35.3 | 173.8 | -66.6 | -166.4 | 159.4 | 0 | 0 | 112.5 | P131 A137 A138 A139 | P131-E135 PolarHBondContact O-N 3.38Å; E135-A137 VanDerWaalsContact C-N 3.27Å; E135-A137 PolarHBondContact O-N 3.41Å; E135-A138 PolarHBondContact O-N 2.96Å; E135-A139 PolarHBondContact O-N 2.93Å |
| 136 | K | 55.1 | Low | 65.2 | Low | 139 Ų | 139 | 110.7 Ų | 110.7 | 60% | 0.604 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.1 | -26.1 | 178.6 | -72.9 | 176 | -171.1 | 157.9 | 0 | 113.1 | D132 Q134 K140 | D132-K136 VanDerWaalsContact O-CD 3.23Å; D132-K136 WeakPolarHBondContact O-CD 3.36Å; D132-K136 WeakPolarHBondContact O-CE 3.31Å; D132-K136 WeakPolarHBondContact O-CG 3.35Å; Q134-K136 VanDerWaalsContact C-N 3.28Å; Q134-K136 PolarHBondContact O-N 3.23Å; K136-K140 WeakPolarHBondContact O-CE 3.37Å; K136-K140 WeakPolarHBondContact O-CG 3.34Å |
| 137 | A | 54.8 | Low | 66.2 | Low | 65 Ų | 65 | 112 Ų | 112 | 54% | 0.537 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -78.6 | -36.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q134 E135 A139 | Q134-A137 PolarHBondContact O-N 2.96Å; E135-A137 VanDerWaalsContact C-N 3.27Å; E135-A137 PolarHBondContact O-N 3.41Å; A137-A139 VanDerWaalsContact C-N 3.34Å; A137-A139 PolarHBondContact O-N 3.41Å |
| 138 | A | 55.3 | Low | 67.4 | Low | 70 Ų | 70 | 112 Ų | 112 | 58% | 0.579 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.4 | -28.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E135 | E135-A138 PolarHBondContact O-N 2.96Å |
| 139 | A | 55.3 | Low | 68.6 | Low | 70 Ų | 70 | 110.3 Ų | 110.3 | 58% | 0.579 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -0.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E135 A137 G141 | E135-A139 PolarHBondContact O-N 2.93Å; A137-A139 VanDerWaalsContact C-N 3.34Å; A137-A139 PolarHBondContact O-N 3.41Å; A139-G141 PolarHBondContact O-N 2.9Å |
| 140 | K | 57.6 | Low | 70 | Confident | 115 Ų | 115 | 109.3 Ų | 109.3 | 50% | 0.5 | 57% | 0.566 | S | S | . | * | trans | -71.4 | 6.7 | -178.7 | -62.4 | -156.9 | 162.8 | -160.2 | 0 | 115.1 | K136 E144 | K136-K140 WeakPolarHBondContact O-CE 3.37Å; K136-K140 WeakPolarHBondContact O-CG 3.34Å; K140-E144 WeakPolarHBondContact CA-OE2 3.45Å; K140-E144 WeakPolarHBondContact CB-OE2 3.38Å; K140-E144 WeakPolarHBondContact CD-OE2 3.23Å; K140-E144 WeakPolarHBondContact CG-OE2 3.34Å; K140-E144 IonicContact NZ-OE1 3.76Å | ||
| 141 | G | 70.4 | Confident | 71.6 | Confident | 52 Ų | 52 | 110.3 Ų | 110.3 | 54% | 0.536 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -72.3 | 137.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A139 S143 | A139-G141 PolarHBondContact O-N 2.9Å; G141-S143 PolarHBondContact O-N 2.61Å; G141-S143 PolarHBondContact O-OG 3.17Å |
| 142 | K | 66.3 | Low | 73.3 | Confident | 196 Ų | 196 | 111.3 Ų | 111.3 | 85% | 0.852 | 57% | 0.567 | S | S | * | * | S | Bend | trans | 45 | -43.5 | 168.7 | -62.2 | -179.1 | -176.1 | 174.8 | 0 | 118.6 | K146 | K142-K146 PolarHBondContact O-N 3.2Š|
| 143 | S | 75.4 | Confident | 75.1 | Confident | 61 Ų | 61 | 114.5 Ų | 114.5 | 43% | 0.427 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.6 | -39.8 | 175.8 | 72.9 | 0 | 0 | 0 | 0 | 113.1 | G141 K146 K147 | G141-S143 PolarHBondContact O-N 2.61Å; G141-S143 PolarHBondContact O-OG 3.17Å; S143-K146 PolarHBondContact O-N 2.99Å; S143-K147 WeakPolarHBondContact O-CG 3.42Å; S143-K147 PolarHBondContact O-N 3.37Å |
| 144 | E | 82.1 | Confident | 76.9 | Confident | 61 Ų | 61 | 113 Ų | 113 | 29% | 0.285 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.5 | -45.7 | 178.5 | -165.6 | 171.6 | -164.7 | 0 | 0 | 111.1 | K140 K146 K147 E148 | K140-E144 WeakPolarHBondContact CA-OE2 3.45Å; K140-E144 WeakPolarHBondContact CB-OE2 3.38Å; K140-E144 WeakPolarHBondContact CD-OE2 3.23Å; K140-E144 WeakPolarHBondContact CG-OE2 3.34Å; K140-E144 IonicContact NZ-OE1 3.76Å; E144-K146 PolarHBondContact O-N 3.15Å; E144-K147 CarbonylContact O-C 3.56Å; E144-K147 WeakPolarHBondContact O-CA 3.4Å; E144-K147 WeakPolarHBondContact O-CB 3.45Å; E144-K147 PolarHBondContact O-N 2.91Å; E144-E148 WeakPolarHBondContact O-CG 3.41Å; E144-E148 PolarHBondContact O-N 3.42Å |
| 145 | K | 85.6 | Confident | 78.7 | Confident | 162 Ų | 162 | 112.4 Ų | 112.4 | 70% | 0.704 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -57.1 | -36.8 | 173.2 | -168.3 | 168.8 | -173 | 169.5 | 0 | 112.8 | Y149 | K145-Y149 WeakPolarHBondContact O-CB 3.3Å; K145-Y149 PolarHBondContact O-N 2.98Å |
| 146 | K | 90 | Very high | 80.7 | Confident | 164 Ų | 164 | 111 Ų | 111 | 71% | 0.713 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.8 | -38.8 | 174.2 | -172 | 175 | -179.5 | -179.8 | 0 | 111.9 | K142 S143 E144 A150 | K142-K146 PolarHBondContact O-N 3.2Å; S143-K146 PolarHBondContact O-N 2.99Å; E144-K146 PolarHBondContact O-N 3.15Å; K146-A150 WeakPolarHBondContact O-CB 3.5Å; K146-A150 PolarHBondContact O-N 2.94Å |
| 147 | K | 90 | Very high | 82.7 | Confident | 140 Ų | 140 | 109 Ų | 109 | 61% | 0.609 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.2 | -43.7 | 174.5 | -72.3 | 174.8 | -179.3 | 179.5 | 0 | 111.2 | S143 E144 A150 K151 | S143-K147 WeakPolarHBondContact O-CG 3.42Å; S143-K147 PolarHBondContact O-N 3.37Å; E144-K147 CarbonylContact O-C 3.56Å; E144-K147 WeakPolarHBondContact O-CA 3.4Å; E144-K147 WeakPolarHBondContact O-CB 3.45Å; E144-K147 PolarHBondContact O-N 2.91Å; K147-A150 PolarHBondContact O-N 3.47Å; K147-K151 WeakPolarHBondContact O-CG 3.38Å; K147-K151 PolarHBondContact O-N 3.02Å |
| 148 | E | 91.4 | Very high | 84.6 | Confident | 110 Ų | 110 | 111.1 Ų | 111.1 | 51% | 0.514 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.7 | -45.9 | 175 | -71.5 | 173.9 | 179.6 | 0 | 0 | 111.6 | E144 A150 K151 M152 | E144-E148 WeakPolarHBondContact O-CG 3.41Å; E144-E148 PolarHBondContact O-N 3.42Å; E148-A150 VanDerWaalsContact C-N 3.31Å; E148-A150 PolarHBondContact O-N 3.41Å; E148-K151 PolarHBondContact O-N 3.17Å; E148-M152 WeakPolarHBondContact O-CB 3.36Å; E148-M152 PolarHBondContact O-N 3.34Å |
| 149 | Y | 93.4 | Very high | 86.5 | Confident | 149 Ų | 149 | 113.3 Ų | 113.3 | 58% | 0.584 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.5 | -40.9 | 176.2 | -176.1 | -95.1 | 0 | 0 | 0 | 112.2 | K145 M152 R153 | K145-Y149 WeakPolarHBondContact O-CB 3.3Å; K145-Y149 PolarHBondContact O-N 2.98Å; Y149-M152 HydrophobicContact CD2-CE 3.69Å; Y149-M152 HydrophobicContact CE2-CE 3.79Å; Y149-M152 PolarHBondContact O-N 3.48Å; Y149-R153 WeakPolarHBondContact O-CB 3.49Å; Y149-R153 PolarHBondContact O-N 3.01Å |
| 150 | A | 94.8 | Very high | 88.5 | Confident | 57 Ų | 57 | 115.4 Ų | 115.4 | 47% | 0.471 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | K146 K147 E148 R153 L154 | K146-A150 WeakPolarHBondContact O-CB 3.5Å; K146-A150 PolarHBondContact O-N 2.94Å; K147-A150 PolarHBondContact O-N 3.47Å; E148-A150 VanDerWaalsContact C-N 3.31Å; E148-A150 PolarHBondContact O-N 3.41Å; A150-R153 PolarHBondContact O-N 2.97Å; A150-L154 PolarHBondContact O-N 3.42Å |
| 151 | K | 95.9 | Very high | 90.3 | Very high | 157 Ų | 157 | 116.2 Ų | 116.2 | 68% | 0.683 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.6 | -47.1 | 175.3 | -73.3 | 179.1 | 179 | -174.7 | 0 | 111.8 | K147 E148 R153 L154 S155 | K147-K151 WeakPolarHBondContact O-CG 3.38Å; K147-K151 PolarHBondContact O-N 3.02Å; E148-K151 PolarHBondContact O-N 3.17Å; K151-R153 VanDerWaalsContact C-N 3.32Å; K151-R153 PolarHBondContact O-N 3.38Å; K151-L154 WeakPolarHBondContact O-CB 3.27Å; K151-L154 PolarHBondContact O-N 3.36Å; K151-S155 PolarHBondContact O-N 3.15Å; K151-S155 PolarHBondContact O-OG 2.89Å |
| 152 | M | 95.7 | Very high | 91.5 | Very high | 107 Ų | 107 | 118.5 Ų | 118.5 | 53% | 0.527 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.3 | -40 | 177.1 | -176.7 | -166.1 | 68.9 | 0 | 0 | 111.8 | E148 Y149 L154 S155 K156 | E148-M152 WeakPolarHBondContact O-CB 3.36Å; E148-M152 PolarHBondContact O-N 3.34Å; Y149-M152 HydrophobicContact CD2-CE 3.69Å; Y149-M152 HydrophobicContact CE2-CE 3.79Å; Y149-M152 PolarHBondContact O-N 3.48Å; M152-L154 VanDerWaalsContact C-N 3.34Å; M152-S155 PolarHBondContact O-OG 2.82Å; M152-K156 WeakPolarHBondContact O-CB 3.29Å; M152-K156 PolarHBondContact O-N 3.25Å |
| 153 | R | 97.3 | Very high | 92.7 | Very high | 180 Ų | 180 | 113 Ų | 113 | 68% | 0.679 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65 | -39.7 | 175.9 | -174.6 | 178.9 | 174.9 | -168.3 | -1.1 | 111.6 | Y149 A150 K151 L157 | Y149-R153 WeakPolarHBondContact O-CB 3.49Å; Y149-R153 PolarHBondContact O-N 3.01Å; A150-R153 PolarHBondContact O-N 2.97Å; K151-R153 VanDerWaalsContact C-N 3.32Å; K151-R153 PolarHBondContact O-N 3.38Å; R153-L157 PolarHBondContact O-N 3.41Å; R153-L157 VanDerWaalsContact O-N 3.16Å |
| 154 | L | 96.6 | Very high | 93.7 | Very high | 100 Ų | 100 | 116.7 Ų | 116.7 | 52% | 0.524 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.2 | -47.3 | 177.4 | -178.1 | 63.2 | 0 | 0 | 0 | 111.6 | A150 K151 M152 K156 L157 Q158 | A150-L154 PolarHBondContact O-N 3.42Å; K151-L154 WeakPolarHBondContact O-CB 3.27Å; K151-L154 PolarHBondContact O-N 3.36Å; M152-L154 VanDerWaalsContact C-N 3.34Å; L154-K156 VanDerWaalsContact C-N 3.34Å; L154-K156 PolarHBondContact O-N 2.95Å; L154-L157 WeakPolarHBondContact O-CB 3.48Å; L154-L157 PolarHBondContact O-N 3.26Å; L154-L157 VanDerWaalsContact O-N 3.12Å; L154-Q158 PolarHBondContact O-N 2.8Å |
| 155 | S | 94.9 | Very high | 94.2 | Very high | 49 Ų | 49 | 119.5 Ų | 119.5 | 34% | 0.343 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.7 | -42.1 | 178.8 | 63.4 | 0 | 0 | 0 | 0 | 111.7 | K151 M152 L157 Q158 Q159 | K151-S155 PolarHBondContact O-N 3.15Å; K151-S155 PolarHBondContact O-OG 2.89Å; M152-S155 PolarHBondContact O-OG 2.82Å; S155-L157 VanDerWaalsContact C-N 3.28Å; S155-L157 PolarHBondContact O-N 3.02Å; S155-Q158 PolarHBondContact O-N 3.47Å; S155-Q158 VanDerWaalsContact O-N 3.16Å; S155-Q159 WeakPolarHBondContact O-CG 3.45Å; S155-Q159 PolarHBondContact O-N 3Å |
| 156 | K | 97.2 | Very high | 94.2 | Very high | 127 Ų | 127 | 117.2 Ų | 117.2 | 55% | 0.552 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.5 | -34 | 175.4 | -169.1 | 169.1 | -170.4 | 167 | 0 | 112.8 | M152 L154 K160 | M152-K156 WeakPolarHBondContact O-CB 3.29Å; M152-K156 PolarHBondContact O-N 3.25Å; L154-K156 VanDerWaalsContact C-N 3.34Å; L154-K156 PolarHBondContact O-N 2.95Å; K156-K160 WeakPolarHBondContact O-CB 3.35Å; K156-K160 VanDerWaalsContact O-CG 3.3Å; K156-K160 WeakPolarHBondContact O-CG 3.21Å; K156-K160 PolarHBondContact O-N 2.81Å; K156-K160 VanDerWaalsContact O-N 3.1Å |
| 157 | L | 96.3 | Very high | 94.1 | Very high | 96 Ų | 96 | 112.5 Ų | 112.5 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.1 | -38.1 | 176 | -174.7 | 64.6 | 0 | 0 | 0 | 111.6 | R153 L154 S155 K161 | R153-L157 PolarHBondContact O-N 3.41Å; R153-L157 VanDerWaalsContact O-N 3.16Å; L154-L157 WeakPolarHBondContact O-CB 3.48Å; L154-L157 PolarHBondContact O-N 3.26Å; L154-L157 VanDerWaalsContact O-N 3.12Å; S155-L157 VanDerWaalsContact C-N 3.28Å; S155-L157 PolarHBondContact O-N 3.02Å; L157-K161 WeakPolarHBondContact O-CG 3.35Å; L157-K161 PolarHBondContact O-N 3.11Å |
| 158 | Q | 95.6 | Very high | 94.1 | Very high | 110 Ų | 110 | 112.3 Ų | 112.3 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.1 | -48 | 175 | -70.8 | 173.2 | -19.4 | 0 | 0 | 111.1 | L154 S155 K160 K161 L162 | L154-Q158 PolarHBondContact O-N 2.8Å; S155-Q158 PolarHBondContact O-N 3.47Å; S155-Q158 VanDerWaalsContact O-N 3.16Å; Q158-K160 PolarHBondContact O-N 3.42Å; Q158-K161 WeakPolarHBondContact O-CB 3.43Å; Q158-K161 PolarHBondContact O-N 3.5Å; Q158-L162 PolarHBondContact O-N 3.36Å; Q158-L162 VanDerWaalsContact O-N 3.14Å |
| 159 | Q | 95.4 | Very high | 93.9 | Very high | 116 Ų | 116 | 111.5 Ų | 111.5 | 54% | 0.542 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -54.8 | -51.1 | 174.8 | -74.2 | 175.6 | -21.7 | 0 | 0 | 111.5 | S155 K161 L162 D163 | S155-Q159 WeakPolarHBondContact O-CG 3.45Å; S155-Q159 PolarHBondContact O-N 3Å; Q159-K161 PolarHBondContact O-N 3.09Å; Q159-L162 WeakPolarHBondContact O-CA 3.47Å; Q159-L162 WeakPolarHBondContact O-CB 3.39Å; Q159-L162 PolarHBondContact O-N 3.18Å; Q159-D163 PolarHBondContact O-N 3.23Å |
| 160 | K | 96.6 | Very high | 93.5 | Very high | 114 Ų | 114 | 105.1 Ų | 105.1 | 50% | 0.496 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58 | -25 | 176.5 | -77.3 | -177 | 175.1 | -165.2 | 0 | 114.8 | K156 Q158 K164 | K156-K160 WeakPolarHBondContact O-CB 3.35Å; K156-K160 VanDerWaalsContact O-CG 3.3Å; K156-K160 WeakPolarHBondContact O-CG 3.21Å; K156-K160 PolarHBondContact O-N 2.81Å; K156-K160 VanDerWaalsContact O-N 3.1Å; Q158-K160 PolarHBondContact O-N 3.42Å; K160-K164 WeakPolarHBondContact O-CB 3.35Å; K160-K164 WeakPolarHBondContact O-CD 3.47Å; K160-K164 WeakPolarHBondContact O-CG 3.36Å; K160-K164 PolarHBondContact O-N 3.38Å |
| 161 | K | 96.1 | Very high | 93.1 | Very high | 133 Ų | 133 | 108.4 Ų | 108.4 | 58% | 0.578 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -77 | -41.8 | 174.7 | -74.9 | -179.6 | 178.2 | -172.5 | 0 | 110.8 | L157 Q158 Q159 K164 Q165 | L157-K161 WeakPolarHBondContact O-CG 3.35Å; L157-K161 PolarHBondContact O-N 3.11Å; Q158-K161 WeakPolarHBondContact O-CB 3.43Å; Q158-K161 PolarHBondContact O-N 3.5Å; Q159-K161 PolarHBondContact O-N 3.09Å; K161-K164 PolarHBondContact O-N 3.07Å; K161-Q165 WeakPolarHBondContact O-CG 2.93Å; K161-Q165 PolarHBondContact O-N 2.96Å |
| 162 | L | 94.4 | Very high | 92.5 | Very high | 100 Ų | 100 | 107.3 Ų | 107.3 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -49.7 | 175.2 | -62.4 | -179.6 | 0 | 0 | 0 | 110.6 | Q158 Q159 K164 Q165 E166 | Q158-L162 PolarHBondContact O-N 3.36Å; Q158-L162 VanDerWaalsContact O-N 3.14Å; Q159-L162 WeakPolarHBondContact O-CA 3.47Å; Q159-L162 WeakPolarHBondContact O-CB 3.39Å; Q159-L162 PolarHBondContact O-N 3.18Å; L162-K164 PolarHBondContact O-N 3.47Å; L162-Q165 WeakPolarHBondContact O-CA 3.45Å; L162-Q165 WeakPolarHBondContact O-CB 3.04Å; L162-Q165 PolarHBondContact O-N 3.2Å; L162-E166 PolarHBondContact O-N 3.48Å |
| 163 | D | 92.7 | Very high | 91.7 | Very high | 80 Ų | 80 | 107 Ų | 107 | 43% | 0.428 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.9 | -41.2 | 177.7 | -53.7 | -19.6 | 0 | 0 | 0 | 111.4 | Q159 Q165 E166 D167 | Q159-D163 PolarHBondContact O-N 3.23Å; D163-Q165 PolarHBondContact O-N 3.45Å; D163-E166 PolarHBondContact O-N 2.89Å; D163-D167 WeakPolarHBondContact O-CB 3.42Å; D163-D167 VanDerWaalsContact O-CG 3.31Å; D163-D167 PolarHBondContact O-N 2.95Å |
| 164 | K | 94.9 | Very high | 90.5 | Very high | 139 Ų | 139 | 100 Ų | 100 | 60% | 0.604 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.7 | -33.5 | 176.2 | -79.7 | 177.2 | -177.8 | -171.7 | 0 | 113.3 | K160 K161 L162 K168 | K160-K164 WeakPolarHBondContact O-CB 3.35Å; K160-K164 WeakPolarHBondContact O-CD 3.47Å; K160-K164 WeakPolarHBondContact O-CG 3.36Å; K160-K164 PolarHBondContact O-N 3.38Å; K161-K164 PolarHBondContact O-N 3.07Å; L162-K164 PolarHBondContact O-N 3.47Å; K164-K168 VanDerWaalsContact O-CG 3.26Å; K164-K168 WeakPolarHBondContact O-CG 3.43Å; K164-K168 PolarHBondContact O-N 2.95Å; K164-K168 VanDerWaalsContact O-N 3.15Å |
| 165 | Q | 92.8 | Very high | 89.2 | Confident | 119 Ų | 119 | 102.2 Ų | 102.2 | 56% | 0.556 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70.2 | -44.4 | 175.4 | -77.4 | -175.3 | -27.2 | 0 | 0 | 110 | K161 L162 D163 K168 I169 | K161-Q165 WeakPolarHBondContact O-CG 2.93Å; K161-Q165 PolarHBondContact O-N 2.96Å; L162-Q165 WeakPolarHBondContact O-CA 3.45Å; L162-Q165 WeakPolarHBondContact O-CB 3.04Å; L162-Q165 PolarHBondContact O-N 3.2Å; D163-Q165 PolarHBondContact O-N 3.45Å; Q165-K168 PolarHBondContact O-N 3.44Å; Q165-I169 WeakPolarHBondContact O-CG1 3.07Å; Q165-I169 PolarHBondContact O-N 3.35Å |
| 166 | E | 86.9 | Confident | 87.9 | Confident | 115 Ų | 115 | 104.6 Ų | 104.6 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.6 | -49 | 173.6 | -68 | -179.3 | 175.5 | 0 | 0 | 111.2 | L162 D163 K168 I169 E170 | L162-E166 PolarHBondContact O-N 3.48Å; D163-E166 PolarHBondContact O-N 2.89Å; E166-K168 VanDerWaalsContact C-N 3.25Å; E166-K168 PolarHBondContact O-N 3.34Å; E166-I169 PolarHBondContact O-N 2.94Å; E166-E170 WeakPolarHBondContact O-CB 3.35Å; E166-E170 WeakPolarHBondContact O-CG 2.97Å; E166-E170 PolarHBondContact O-N 2.9Å |
| 167 | D | 88.1 | Confident | 86.4 | Confident | 64 Ų | 64 | 104.4 Ų | 104.4 | 34% | 0.342 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.1 | -33.5 | 177.4 | -78.1 | -20.4 | 0 | 0 | 0 | 112.9 | D163 K171 R246 | D163-D167 WeakPolarHBondContact O-CB 3.42Å; D163-D167 VanDerWaalsContact O-CG 3.31Å; D163-D167 PolarHBondContact O-N 2.95Å; D167-K171 WeakPolarHBondContact O-CB 3.49Å; D167-K171 WeakPolarHBondContact O-CD 3.47Å; D167-K171 WeakPolarHBondContact O-CG 3.48Å; D167-K171 PolarHBondContact O-N 2.71Å; D167-R246 IonicContact OD1-NH2 2.67Å; D167-R246 PolarHBondContact OD1-NH2 3.41Å; D167-R246 VanDerWaalsContact OD1-NH2 3.09Å |
| 168 | K | 90 | Very high | 85.1 | Confident | 136 Ų | 136 | 107.2 Ų | 107.2 | 59% | 0.591 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.8 | -48 | 176.1 | -79.6 | 176.9 | 177.5 | -165.5 | 0 | 111.3 | K164 Q165 E166 E170 K171 E172 | K164-K168 VanDerWaalsContact O-CG 3.26Å; K164-K168 WeakPolarHBondContact O-CG 3.43Å; K164-K168 PolarHBondContact O-N 2.95Å; K164-K168 VanDerWaalsContact O-N 3.15Å; Q165-K168 PolarHBondContact O-N 3.44Å; E166-K168 VanDerWaalsContact C-N 3.25Å; E166-K168 PolarHBondContact O-N 3.34Å; K168-E170 VanDerWaalsContact C-N 3.26Å; K168-E170 PolarHBondContact O-N 3.34Å; K168-K171 WeakPolarHBondContact O-CB 3.3Å; K168-K171 PolarHBondContact O-N 3.45Å; K168-K171 VanDerWaalsContact O-N 3.14Å; K168-E172 WeakPolarHBondContact O-CG 3.47Å; K168-E172 PolarHBondContact O-N 3.44Å |
| 169 | I | 87 | Confident | 83.8 | Confident | 93 Ų | 93 | 106.2 Ų | 106.2 | 48% | 0.477 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 176.2 | -68 | 165.9 | 0 | 0 | 0 | 109.5 | Q165 E166 K171 E172 L173 | Q165-I169 WeakPolarHBondContact O-CG1 3.07Å; Q165-I169 PolarHBondContact O-N 3.35Å; E166-I169 PolarHBondContact O-N 2.94Å; I169-K171 PolarHBondContact O-N 3.31Å; I169-E172 PolarHBondContact O-N 2.93Å; I169-L173 HydrophobicContact CG2-CD1 3.54Å; I169-L173 HydrophobicContact CG2-CG 4.19Å; I169-L173 VanDerWaalsContact O-CB 3.29Å; I169-L173 WeakPolarHBondContact O-CB 3.42Å; I169-L173 WeakPolarHBondContact O-CG 3.28Å; I169-L173 PolarHBondContact O-N 3.46Å |
| 170 | E | 84.5 | Confident | 82.7 | Confident | 16 Ų | 16 | 106 Ų | 106 | 8% | 0.075 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 176.2 | -74 | -171.5 | 174.3 | 0 | 0 | 112.2 | E166 K168 F174 R246 | E166-E170 WeakPolarHBondContact O-CB 3.35Å; E166-E170 WeakPolarHBondContact O-CG 2.97Å; E166-E170 PolarHBondContact O-N 2.9Å; K168-E170 VanDerWaalsContact C-N 3.26Å; K168-E170 PolarHBondContact O-N 3.34Å; E170-F174 HydrophobicContact CB-CD2 3.86Å; E170-F174 HydrophobicContact CB-CE2 4.31Å; E170-F174 HydrophobicContact CG-CD2 4Å; E170-F174 HydrophobicContact CG-CE2 3.96Å; E170-F174 WeakPolarHBondContact O-CA 3.37Å; E170-F174 WeakPolarHBondContact O-CB 3.34Å; E170-F174 VanDerWaalsContact O-CD2 3.31Å; E170-F174 WeakPolarHBondContact O-CD2 3.33Å; E170-F174 PolarHBondContact O-N 3.16Å; E170-R246 IonicContact OE1-CZ 2.88Å; E170-R246 IonicContact OE1-NE 2.86Å; E170-R246 PolarHBondContact OE1-NE 2.79Å; E170-R246 IonicContact OE2-CZ 3.21Å; E170-R246 IonicContact OE2-NE 3.77Å; E170-R246 PolarHBondContact OE2-NE 3.2Å; E170-R246 IonicContact OE2-NH2 3.78Å; E170-R246 PolarHBondContact OE2-NH2 3.34Å |
| 171 | K | 85.9 | Confident | 81.2 | Confident | 125 Ų | 125 | 111.1 Ų | 111.1 | 54% | 0.543 | 55% | 0.549 | S | S | . | . | I | π-helix | trans | -60.4 | -49.2 | 174 | -77.6 | 168.6 | -178.2 | 176.4 | 0 | 112.6 | D167 K168 I169 F175 V176 | D167-K171 WeakPolarHBondContact O-CB 3.49Å; D167-K171 WeakPolarHBondContact O-CD 3.47Å; D167-K171 WeakPolarHBondContact O-CG 3.48Å; D167-K171 PolarHBondContact O-N 2.71Å; K168-K171 WeakPolarHBondContact O-CB 3.3Å; K168-K171 PolarHBondContact O-N 3.45Å; K168-K171 VanDerWaalsContact O-N 3.14Å; I169-K171 PolarHBondContact O-N 3.31Å; K171-F175 HydrophobicContact CG-CD2 4.15Å; K171-F175 WeakPolarHBondContact O-CA 3.42Å; K171-F175 WeakPolarHBondContact O-CB 3.41Å; K171-F175 PolarHBondContact O-N 2.9Å; K171-V176 PolarHBondContact O-N 3.49Å |
| 172 | E | 83.3 | Confident | 79.9 | Confident | 135 Ų | 135 | 108.2 Ų | 108.2 | 63% | 0.631 | 56% | 0.557 | S | S | * | * | I | π-helix | trans | -66.7 | -41.5 | -178.8 | -70.5 | 170.4 | -165.7 | 0 | 0 | 111.8 | K168 I169 | K168-E172 WeakPolarHBondContact O-CG 3.47Å; K168-E172 PolarHBondContact O-N 3.44Å; I169-E172 PolarHBondContact O-N 2.93Å |
| 173 | L | 79.6 | Confident | 78.8 | Confident | 100 Ų | 100 | 112.4 Ų | 112.4 | 52% | 0.524 | 57% | 0.574 | S | S | . | * | I | π-helix | trans | -84.4 | -30.2 | -176.8 | -66.4 | 178.7 | 0 | 0 | 0 | 114.6 | I169 Q253 | I169-L173 HydrophobicContact CG2-CD1 3.54Å; I169-L173 HydrophobicContact CG2-CG 4.19Å; I169-L173 VanDerWaalsContact O-CB 3.29Å; I169-L173 WeakPolarHBondContact O-CB 3.42Å; I169-L173 WeakPolarHBondContact O-CG 3.28Å; I169-L173 PolarHBondContact O-N 3.46Å; L173-Q253 PolarHBondContact O-NE2 3.28Å |
| 174 | F | 71.6 | Confident | 77.6 | Confident | 32 Ų | 32 | 113.6 Ų | 113.6 | 14% | 0.14 | 58% | 0.583 | C | S | . | * | I | π-helix | trans | -114.6 | -26.7 | -171.5 | -59.1 | -69.8 | 0 | 0 | 0 | 115.1 | E170 K249 K250 Q253 | E170-F174 HydrophobicContact CB-CD2 3.86Å; E170-F174 HydrophobicContact CB-CE2 4.31Å; E170-F174 HydrophobicContact CG-CD2 4Å; E170-F174 HydrophobicContact CG-CE2 3.96Å; E170-F174 WeakPolarHBondContact O-CA 3.37Å; E170-F174 WeakPolarHBondContact O-CB 3.34Å; E170-F174 VanDerWaalsContact O-CD2 3.31Å; E170-F174 WeakPolarHBondContact O-CD2 3.33Å; E170-F174 PolarHBondContact O-N 3.16Å; F174-K249 HydrophobicContact CD1-CB 4.31Å; F174-K249 HydrophobicContact CD1-CD 4.44Å; F174-K249 HydrophobicContact CD1-CG 3.36Å; F174-K249 HydrophobicContact CE1-CB 4.28Å; F174-K249 HydrophobicContact CE1-CG 3.69Å; F174-K249 HydrophobicContact CG-CG 4.25Å; F174-K250 HydrophobicContact CE1-CG 4.45Å; F174-K250 HydrophobicContact CE2-CG 4.49Å; F174-K250 HydrophobicContact CZ-CG 3.71Å; F174-Q253 HydrophobicContact CD1-CG 4.37Å; F174-Q253 HydrophobicContact CE1-CG 3.88Å; F174-Q253 VanDerWaalsContact CE1-NE2 3.34Å |
| 175 | F | 69.4 | Low | 76.1 | Confident | 147 Ų | 147 | 111.5 Ų | 111.5 | 65% | 0.645 | 59% | 0.586 | S | S | * | * | I | π-helix | trans | -106.4 | -14.4 | -173.7 | -69.9 | -76 | 0 | 0 | 0 | 113.7 | K171 D177 | K171-F175 HydrophobicContact CG-CD2 4.15Å; K171-F175 WeakPolarHBondContact O-CA 3.42Å; K171-F175 WeakPolarHBondContact O-CB 3.41Å; K171-F175 PolarHBondContact O-N 2.9Å; F175-D177 PolarHBondContact O-N 3.37Å |
| 176 | V | 68.6 | Low | 75.1 | Confident | 100 Ų | 100 | 114.2 Ų | 114.2 | 61% | 0.606 | 60% | 0.601 | S | S | * | * | trans | -94.6 | 86.5 | 171.5 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | K171 N178 | K171-V176 PolarHBondContact O-N 3.49Å; V176-N178 PolarHBondContact O-N 3.04Å | ||
| 177 | D | 64.9 | Low | 74.3 | Confident | 122 Ų | 122 | 111.9 Ų | 111.9 | 65% | 0.652 | 60% | 0.601 | S | S | * | * | trans | -76.2 | 113.6 | 165.6 | -82.2 | -21.8 | 0 | 0 | 0 | 108.1 | F175 V179 | F175-D177 PolarHBondContact O-N 3.37Å; D177-V179 VanDerWaalsContact C-N 3.32Å; D177-V179 HydrophobicContact CB-CG2 4.18Å; D177-V179 PolarHBondContact O-N 3.34Å | ||
| 178 | N | 69.3 | Low | 73.8 | Confident | 155 Ų | 155 | 114.2 Ų | 114.2 | 83% | 0.829 | 62% | 0.62 | S | S | * | * | trans | -76.9 | 86.4 | 175.3 | -161.6 | -42.6 | 0 | 0 | 0 | 108.8 | V176 | V176-N178 PolarHBondContact O-N 3.04Š| ||
| 179 | V | 68.3 | Low | 73.1 | Confident | 90 Ų | 90 | 112.8 Ų | 112.8 | 55% | 0.545 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -94.5 | 128.2 | 174.5 | -176.1 | 0 | 0 | 0 | 0 | 108.2 | D177 F181 | D177-V179 VanDerWaalsContact C-N 3.32Å; D177-V179 HydrophobicContact CB-CG2 4.18Å; D177-V179 PolarHBondContact O-N 3.34Å; V179-F181 PolarHBondContact O-N 3.18Å |
| 180 | P | 72.4 | Confident | 72.5 | Confident | 111 Ų | 111 | 113.9 Ų | 113.9 | 72% | 0.721 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -60 | 134.4 | 179.3 | 24.4 | -33.2 | 0 | 0 | 0 | 111.1 | G182 | P180-G182 PolarHBondContact O-N 3Š|
| 181 | F | 64 | Low | 71.8 | Confident | 221 Ų | 221 | 120.3 Ų | 120.3 | 97% | 0.969 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 118.8 | -177 | -174.9 | -97.5 | 0 | 0 | 0 | 110.7 | V179 | V179-F181 PolarHBondContact O-N 3.18Š|
| 182 | G | 69.8 | Low | 71.2 | Confident | 73 Ų | 73 | 118 Ų | 118 | 75% | 0.753 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 158.4 | -25.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | P180 | P180-G182 PolarHBondContact O-N 3Š|
| 183 | E | 70.3 | Confident | 70.9 | Confident | 188 Ų | 188 | 117 Ų | 117 | 88% | 0.879 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -117.1 | -15.2 | -173.7 | -82.9 | -173.5 | 151.7 | 0 | 0 | 116.3 | ||
| 184 | V | 68.1 | Low | 70.5 | Confident | 104 Ų | 104 | 121.6 Ų | 121.6 | 63% | 0.63 | 71% | 0.706 | S | S | * | * | trans | -132.8 | 120.3 | -174.1 | -171.1 | 0 | 0 | 0 | 0 | 111.8 | M186 | V184-M186 PolarHBondContact O-N 3.26Š| ||
| 185 | S | 63.7 | Low | 70.8 | Confident | 95 Ų | 95 | 124.9 Ų | 124.9 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | trans | -70.6 | 110 | 168 | -161 | 0 | 0 | 0 | 0 | 109 | A187 | S185-A187 PolarHBondContact O-N 3Å; S185-A187 VanDerWaalsContact O-N 3.12Å; S185-A187 PolarHBondContact OG-O 3.14Å | ||
| 186 | M | 70.7 | Confident | 70.9 | Confident | 176 Ų | 176 | 128.3 Ų | 128.3 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -61.3 | -19.7 | -173.6 | -70.9 | -65.5 | -70.6 | 0 | 0 | 114.6 | V184 | V184-M186 PolarHBondContact O-N 3.26Š|
| 187 | A | 70.9 | Confident | 70.9 | Confident | 66 Ų | 66 | 132.8 Ų | 132.8 | 55% | 0.545 | 76% | 0.756 | S | S | . | * | S | Bend | trans | -152.2 | 139.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | S185 | S185-A187 PolarHBondContact O-N 3Å; S185-A187 VanDerWaalsContact O-N 3.12Å; S185-A187 PolarHBondContact OG-O 3.14Å |
| 188 | P | 77.4 | Confident | 70.6 | Confident | 113 Ų | 113 | 129.8 Ų | 129.8 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | -58.7 | 135.8 | 169 | 25.4 | -32 | 0 | 0 | 0 | 108.7 | S190 | P188-S190 PolarHBondContact O-N 3.36Å; P188-S190 VanDerWaalsContact O-N 3.12Å | ||
| 189 | P | 75.8 | Confident | 70.4 | Confident | 107 Ų | 107 | 127 Ų | 127 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | trans | -57.2 | 122.8 | 177.7 | 23.2 | -32.7 | 0 | 0 | 0 | 109.3 | L191 | P189-L191 PolarHBondContact O-N 3.14Š| ||
| 190 | S | 73.1 | Confident | 70.1 | Confident | 116 Ų | 116 | 129.1 Ų | 129.1 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | -71.8 | 103.3 | 177.2 | 60.6 | 0 | 0 | 0 | 0 | 109 | P188 G192 | P188-S190 PolarHBondContact O-N 3.36Å; P188-S190 VanDerWaalsContact O-N 3.12Å; S190-G192 VanDerWaalsContact C-N 3.26Å; S190-G192 PolarHBondContact O-N 2.82Å | ||
| 191 | L | 69.9 | Low | 69.4 | Low | 150 Ų | 150 | 131.3 Ų | 131.3 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -71 | 83.2 | 173 | -62.5 | 178.1 | 0 | 0 | 0 | 109.3 | P189 T193 | P189-L191 PolarHBondContact O-N 3.14Å; L191-T193 PolarHBondContact O-N 3.03Å | ||
| 192 | G | 74.9 | Confident | 69.1 | Low | 78 Ų | 78 | 127 Ų | 127 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -70.9 | -6.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | S190 | S190-G192 VanDerWaalsContact C-N 3.26Å; S190-G192 PolarHBondContact O-N 2.82Å | ||
| 193 | T | 76.1 | Confident | 68.5 | Low | 113 Ų | 113 | 130.1 Ų | 130.1 | 69% | 0.693 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -87.4 | 119.7 | 179.6 | 47.3 | 0 | 0 | 0 | 0 | 111 | L191 | L191-T193 PolarHBondContact O-N 3.03Š|
| 194 | K | 71.1 | Confident | 67.7 | Low | 196 Ų | 196 | 129.8 Ų | 129.8 | 85% | 0.852 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 129.7 | 167.9 | -65.1 | -179 | -178.6 | 177.7 | 0 | 108.7 | K196 | K194-K196 PolarHBondContact O-N 3.45Š|
| 195 | P | 78.8 | Confident | 67 | Low | 101 Ų | 101 | 133 Ų | 133 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 125.9 | 175.2 | 21.5 | -30.6 | 0 | 0 | 0 | 109.7 | K197 A198 | P195-K197 PolarHBondContact O-N 3.08Å; P195-A198 HydrophobicContact CG-CB 4.02Å; P195-A198 PolarHBondContact O-N 3.2Å; P195-A198 VanDerWaalsContact O-N 3.16Å |
| 196 | K | 71.4 | Confident | 66.7 | Low | 220 Ų | 220 | 131.5 Ų | 131.5 | 96% | 0.957 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | -14.6 | -174 | -109.8 | 175.4 | 171.1 | 178.1 | 0 | 115.2 | K194 | K194-K196 PolarHBondContact O-N 3.45Š|
| 197 | K | 67.8 | Low | 66.2 | Low | 193 Ų | 193 | 127.8 Ų | 127.8 | 84% | 0.839 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123 | 9.5 | -172 | -68.3 | -85.7 | -173.4 | 170.9 | 0 | 113.8 | P195 P199 | P195-K197 PolarHBondContact O-N 3.08Å; K197-P199 WeakPolarHBondContact O-CD 3.48Å |
| 198 | A | 59.2 | Low | 65.9 | Low | 59 Ų | 59 | 133.8 Ų | 133.8 | 49% | 0.488 | 74% | 0.739 | S | S | . | * | trans | -66.6 | 117.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | P195 V200 | P195-A198 HydrophobicContact CG-CB 4.02Å; P195-A198 PolarHBondContact O-N 3.2Å; P195-A198 VanDerWaalsContact O-N 3.16Å; A198-V200 PolarHBondContact O-N 2.82Å | ||
| 199 | P | 64.4 | Low | 65.5 | Low | 96 Ų | 96 | 134.2 Ų | 134.2 | 62% | 0.623 | 73% | 0.732 | S | S | * | * | trans | -62.7 | 124.5 | 171.6 | 26.2 | -31.7 | 0 | 0 | 0 | 107.8 | K197 K201 | K197-P199 WeakPolarHBondContact O-CD 3.48Å; P199-K201 HydrophobicContact CB-CG 4.3Å; P199-K201 HydrophobicContact CG-CG 4.35Å; P199-K201 PolarHBondContact O-N 3.34Å | ||
| 200 | V | 61.8 | Low | 65.6 | Low | 136 Ų | 136 | 134.9 Ų | 134.9 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | trans | -68.3 | 78 | 168.3 | -178 | 0 | 0 | 0 | 0 | 106.6 | A198 T202 | A198-V200 PolarHBondContact O-N 2.82Å; V200-T202 PolarHBondContact O-N 3.49Å | ||
| 201 | K | 58.8 | Low | 65.9 | Low | 157 Ų | 157 | 136.2 Ų | 136.2 | 68% | 0.683 | 73% | 0.726 | S | S | * | * | trans | -69.3 | 101.7 | 172.8 | -73.4 | -173.4 | 177.8 | -175.8 | 0 | 106.7 | P199 Q203 | P199-K201 HydrophobicContact CB-CG 4.3Å; P199-K201 HydrophobicContact CG-CG 4.35Å; P199-K201 PolarHBondContact O-N 3.34Å; K201-Q203 HydrophobicContact CB-CB 4.43Å; K201-Q203 PolarHBondContact O-N 2.98Å | ||
| 202 | T | 57.2 | Low | 66.4 | Low | 131 Ų | 131 | 133.6 Ų | 133.6 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | trans | -65.7 | 63.6 | 154.2 | 51 | 0 | 0 | 0 | 0 | 108.3 | V200 K204 | V200-T202 PolarHBondContact O-N 3.49Å; T202-K204 VanDerWaalsContact C-N 3.35Å; T202-K204 PolarHBondContact O-N 3.39Å; T202-K204 VanDerWaalsContact O-N 3.11Å | ||
| 203 | Q | 56.3 | Low | 66.5 | Low | 138 Ų | 138 | 132 Ų | 132 | 65% | 0.645 | 69% | 0.685 | S | S | * | * | trans | -80.1 | 96.7 | 169.7 | -166.9 | 150.8 | -28.9 | 0 | 0 | 105.9 | K201 Q205 | K201-Q203 HydrophobicContact CB-CB 4.43Å; K201-Q203 PolarHBondContact O-N 2.98Å; Q203-Q205 PolarHBondContact O-N 2.71Å | ||
| 204 | K | 54.2 | Low | 66.6 | Low | 181 Ų | 181 | 131.5 Ų | 131.5 | 79% | 0.787 | 69% | 0.686 | S | S | * | * | trans | -41.8 | 139.3 | 158.6 | -69.5 | 178.5 | 177.8 | 179.1 | 0 | 108.6 | T202 A206 | T202-K204 VanDerWaalsContact C-N 3.35Å; T202-K204 PolarHBondContact O-N 3.39Å; T202-K204 VanDerWaalsContact O-N 3.11Å; K204-A206 PolarHBondContact O-N 3.42Å | ||
| 205 | Q | 53.9 | Low | 67.2 | Low | 171 Ų | 171 | 128.6 Ų | 128.6 | 80% | 0.799 | 68% | 0.679 | S | S | * | * | trans | -23.5 | 84.6 | 176.2 | -63.1 | 94.5 | -37 | 0 | 0 | 115 | Q203 | Q203-Q205 PolarHBondContact O-N 2.71Š| ||
| 206 | A | 56.8 | Low | 67.6 | Low | 64 Ų | 64 | 128.4 Ų | 128.4 | 53% | 0.529 | 67% | 0.672 | S | S | . | * | trans | -81.1 | 126 | 143.2 | 0 | 0 | 0 | 0 | 0 | 104.5 | K204 K208 | K204-A206 PolarHBondContact O-N 3.42Å; A206-K208 PolarHBondContact O-N 3.16Å; A206-K208 VanDerWaalsContact O-N 3.08Å | ||
| 207 | S | 60.9 | Low | 67.7 | Low | 98 Ų | 98 | 121.1 Ų | 121.1 | 69% | 0.685 | 66% | 0.659 | S | S | * | * | trans | -39.1 | 115.5 | -173.2 | 38.2 | 0 | 0 | 0 | 0 | 111.5 | E209 | S207-E209 PolarHBondContact O-N 3.37Š| ||
| 208 | K | 63.8 | Low | 67.7 | Low | 192 Ų | 192 | 117.3 Ų | 117.3 | 84% | 0.835 | 64% | 0.644 | S | S | * | * | trans | -74.8 | 45.5 | 179.5 | -63.1 | 174.5 | 179.9 | 172.9 | 0 | 110.8 | A206 | A206-K208 PolarHBondContact O-N 3.16Å; A206-K208 VanDerWaalsContact O-N 3.08Å | ||
| 209 | E | 69.1 | Low | 67.8 | Low | 122 Ų | 122 | 119.8 Ų | 119.8 | 57% | 0.57 | 66% | 0.658 | S | S | * | * | trans | -101.9 | 124 | 178.9 | -65.8 | -175.5 | -179.2 | 0 | 0 | 107.6 | S207 L211 | S207-E209 PolarHBondContact O-N 3.37Å; E209-L211 PolarHBondContact O-N 3.47Å | ||
| 210 | L | 77.7 | Confident | 67.5 | Low | 121 Ų | 121 | 120 Ų | 120 | 63% | 0.634 | 65% | 0.652 | S | S | * | * | trans | -61.8 | 136.2 | 174 | -61.4 | 173.5 | 0 | 0 | 0 | 107.6 | L212 N213 | L210-L212 PolarHBondContact O-N 3.07Å; L210-N213 VanDerWaalsContact O-CB 3.32Å; L210-N213 WeakPolarHBondContact O-CB 3.46Å; L210-N213 PolarHBondContact O-N 3.34Å | ||
| 211 | L | 80.3 | Confident | 67.5 | Low | 143 Ų | 143 | 118 Ų | 118 | 75% | 0.749 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -52.1 | -31.2 | 175 | -178.8 | 145.6 | 0 | 0 | 0 | 111.8 | E209 N213 S214 L215 | E209-L211 PolarHBondContact O-N 3.47Å; L211-N213 VanDerWaalsContact C-N 3.3Å; L211-N213 PolarHBondContact O-N 3.14Å; L211-S214 WeakPolarHBondContact O-CB 3.37Å; L211-S214 PolarHBondContact O-N 3.29Å; L211-S214 VanDerWaalsContact O-N 3.16Å; L211-L215 PolarHBondContact O-N 2.87Å |
| 212 | L | 80 | Confident | 67.5 | Low | 96 Ų | 96 | 115.1 Ų | 115.1 | 50% | 0.503 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -60.1 | -35.5 | 174.2 | -172.8 | 65.2 | 0 | 0 | 0 | 113.3 | L210 S214 L215 L216 | L210-L212 PolarHBondContact O-N 3.07Å; L212-S214 VanDerWaalsContact C-N 3.28Å; L212-S214 PolarHBondContact O-N 3.14Å; L212-L215 PolarHBondContact O-N 3.11Å; L212-L216 VanDerWaalsContact O-CB 3.26Å; L212-L216 WeakPolarHBondContact O-CB 3.38Å; L212-L216 PolarHBondContact O-N 3.38Å |
| 213 | N | 77.6 | Confident | 67.7 | Low | 44 Ų | 44 | 115.2 Ų | 115.2 | 24% | 0.235 | 65% | 0.65 | C | S | . | * | H | α-helix | trans | -65.9 | -35.3 | 177.5 | -64.6 | -10.3 | 0 | 0 | 0 | 111.2 | L210 L211 G217 H218 | L210-N213 VanDerWaalsContact O-CB 3.32Å; L210-N213 WeakPolarHBondContact O-CB 3.46Å; L210-N213 PolarHBondContact O-N 3.34Å; L211-N213 VanDerWaalsContact C-N 3.3Å; L211-N213 PolarHBondContact O-N 3.14Å; N213-G217 PolarHBondContact O-N 3.18Å; N213-H218 WeakPolarHBondContact CB-O 3.48Å; N213-H218 PolarHBondContact O-N 3.31Å; N213-H218 VanDerWaalsContact O-N 3.15Å |
| 214 | S | 76.7 | Confident | 68.6 | Low | 103 Ų | 103 | 111.6 Ų | 111.6 | 72% | 0.72 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66.8 | -40.4 | 172.1 | 151.8 | 0 | 0 | 0 | 0 | 111.7 | L211 L212 | L211-S214 WeakPolarHBondContact O-CB 3.37Å; L211-S214 PolarHBondContact O-N 3.29Å; L211-S214 VanDerWaalsContact O-N 3.16Å; L212-S214 VanDerWaalsContact C-N 3.28Å; L212-S214 PolarHBondContact O-N 3.14Å |
| 215 | L | 85.3 | Confident | 69.8 | Low | 134 Ų | 134 | 112.7 Ų | 112.7 | 70% | 0.702 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73.8 | -38.3 | -178.6 | -175 | 62.9 | 0 | 0 | 0 | 112.8 | L211 L212 G217 | L211-L215 PolarHBondContact O-N 2.87Å; L212-L215 PolarHBondContact O-N 3.11Å; L215-G217 VanDerWaalsContact C-N 3.31Å |
| 216 | L | 85.6 | Confident | 71.2 | Confident | 98 Ų | 98 | 107.1 Ų | 107.1 | 51% | 0.513 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | 1.2 | -175.5 | -139.6 | 62.5 | 0 | 0 | 0 | 112.5 | L212 H218 | L212-L216 VanDerWaalsContact O-CB 3.26Å; L212-L216 WeakPolarHBondContact O-CB 3.38Å; L212-L216 PolarHBondContact O-N 3.38Å; L216-H218 WeakPolarHBondContact CD2-CE1 3.19Å; L216-H218 WeakPolarHBondContact CD2-ND1 3.36Å; L216-H218 VanDerWaalsContact CG-CE1 3.48Å; L216-H218 WeakPolarHBondContact CG-CE1 3.26Å; L216-H218 PolarHBondContact O-N 3.09Å; L216-H218 VanDerWaalsContact O-N 3.1Å |
| 217 | G | 75.3 | Confident | 72.7 | Confident | 66 Ų | 66 | 107.7 Ų | 107.7 | 68% | 0.68 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.1 | 12.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N213 L215 S219 | N213-G217 PolarHBondContact O-N 3.18Å; L215-G217 VanDerWaalsContact C-N 3.31Å; G217-S219 PolarHBondContact O-N 2.83Å; G217-S219 VanDerWaalsContact O-N 3.17Å |
| 218 | H | 67.6 | Low | 74.2 | Confident | 113 Ų | 113 | 108.6 Ų | 108.6 | 52% | 0.523 | 62% | 0.622 | S | S | . | * | trans | -86.1 | 91.4 | -179.1 | -63.3 | 144.6 | 0 | 0 | 0 | 109.4 | N213 L216 M220 | N213-H218 WeakPolarHBondContact CB-O 3.48Å; N213-H218 PolarHBondContact O-N 3.31Å; N213-H218 VanDerWaalsContact O-N 3.15Å; L216-H218 WeakPolarHBondContact CD2-CE1 3.19Å; L216-H218 WeakPolarHBondContact CD2-ND1 3.36Å; L216-H218 VanDerWaalsContact CG-CE1 3.48Å; L216-H218 WeakPolarHBondContact CG-CE1 3.26Å; L216-H218 PolarHBondContact O-N 3.09Å; L216-H218 VanDerWaalsContact O-N 3.1Å; H218-M220 PolarHBondContact O-N 3.1Å | ||
| 219 | S | 60.3 | Low | 75.6 | Confident | 111 Ų | 111 | 102.4 Ų | 102.4 | 78% | 0.776 | 61% | 0.607 | S | S | * | * | trans | -55.2 | 136.1 | 161.3 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | G217 A221 | G217-S219 PolarHBondContact O-N 2.83Å; G217-S219 VanDerWaalsContact O-N 3.17Å; S219-A221 PolarHBondContact O-N 2.92Å | ||
| 220 | M | 59.4 | Low | 76.6 | Confident | 102 Ų | 102 | 103.2 Ų | 103.2 | 50% | 0.502 | 61% | 0.605 | S | S | . | * | trans | -40.6 | 109.1 | -172.9 | -71.2 | -154.2 | 64 | 0 | 0 | 111 | H218 S222 T223 | H218-M220 PolarHBondContact O-N 3.1Å; M220-S222 PolarHBondContact O-N 2.9Å; M220-T223 HydrophobicContact CE-CG2 4.41Å | ||
| 221 | A | 59.9 | Low | 77.3 | Confident | 93 Ų | 93 | 100.9 Ų | 100.9 | 77% | 0.769 | 59% | 0.591 | S | S | * | * | trans | -51.4 | 116.9 | 171 | 0 | 0 | 0 | 0 | 0 | 106.4 | S219 T223 | S219-A221 PolarHBondContact O-N 2.92Å; A221-T223 PolarHBondContact O-N 3.47Å; A221-T223 VanDerWaalsContact O-N 3.1Å | ||
| 222 | S | 59 | Low | 77.9 | Confident | 97 Ų | 97 | 102.1 Ų | 102.1 | 68% | 0.678 | 59% | 0.585 | S | S | * | * | trans | -43 | 121.9 | -171.2 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | M220 A224 | M220-S222 PolarHBondContact O-N 2.9Å; S222-A224 PolarHBondContact O-N 3.19Å; S222-A224 VanDerWaalsContact O-N 3.09Å; S222-A224 WeakPolarHBondContact OG-CB 3.5Å; S222-A224 PolarHBondContact OG-N 3.06Å | ||
| 223 | T | 61.1 | Low | 78.5 | Confident | 133 Ų | 133 | 102.9 Ų | 102.9 | 82% | 0.816 | 59% | 0.588 | S | S | * | * | trans | -69.3 | -0.6 | 174.6 | 58.6 | 0 | 0 | 0 | 0 | 111.8 | M220 A221 | M220-T223 HydrophobicContact CE-CG2 4.41Å; A221-T223 PolarHBondContact O-N 3.47Å; A221-T223 VanDerWaalsContact O-N 3.1Å | ||
| 224 | A | 76 | Confident | 79.2 | Confident | 62 Ų | 62 | 104.3 Ų | 104.3 | 51% | 0.512 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -63.4 | 137.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | S222 | S222-A224 PolarHBondContact O-N 3.19Å; S222-A224 VanDerWaalsContact O-N 3.09Å; S222-A224 WeakPolarHBondContact OG-CB 3.5Å; S222-A224 PolarHBondContact OG-N 3.06Å |
| 225 | K | 79.1 | Confident | 79.9 | Confident | 203 Ų | 203 | 103.8 Ų | 103.8 | 88% | 0.883 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 128.4 | 172.5 | -64.1 | 176.3 | -177.7 | 176 | 0 | 108.1 | ||
| 226 | P | 83.7 | Confident | 80.4 | Confident | 54 Ų | 54 | 101.9 Ų | 101.9 | 35% | 0.351 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 153.6 | 177.9 | 27.7 | -36.5 | 0 | 0 | 0 | 109.9 | R230 Q231 M234 | P226-R230 HydrophobicContact CB-CB 4.09Å; P226-R230 HydrophobicContact CB-CG 4.12Å; P226-Q231 HydrophobicContact CG-CB 4.39Å; P226-M234 HydrophobicContact CB-CE 4.05Å; P226-M234 HydrophobicContact CG-CE 3.65Å |
| 227 | S | 89.1 | Confident | 80.8 | Confident | 77 Ų | 77 | 103.4 Ų | 103.4 | 54% | 0.538 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 151.6 | 173.3 | 69.1 | 0 | 0 | 0 | 0 | 110.6 | A229 R230 Q231 | S227-A229 PolarHBondContact O-N 3.44Å; S227-A229 VanDerWaalsContact O-N 3.11Å; S227-R230 WeakPolarHBondContact O-CA 3.32Å; S227-R230 PolarHBondContact O-N 3.16Å; S227-R230 WeakPolarHBondContact OG-CB 3.36Å; S227-R230 PolarHBondContact OG-N 2.82Å; S227-Q231 PolarHBondContact O-N 3.37Å |
| 228 | M | 91.9 | Very high | 81.8 | Confident | 116 Ų | 116 | 109 Ų | 109 | 57% | 0.571 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -53.3 | -35.7 | 179.5 | -80.2 | -59.2 | -51.2 | 0 | 0 | 113 | R232 | M228-R232 WeakPolarHBondContact O-CG 3.02Å; M228-R232 PolarHBondContact O-N 3.06Å; M228-R232 VanDerWaalsContact O-N 3.14Å |
| 229 | A | 92.9 | Very high | 83.1 | Confident | 63 Ų | 63 | 109.2 Ų | 109.2 | 52% | 0.521 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.7 | -44.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S227 Q231 R232 M233 | S227-A229 PolarHBondContact O-N 3.44Å; S227-A229 VanDerWaalsContact O-N 3.11Å; A229-Q231 VanDerWaalsContact C-N 3.35Å; A229-R232 PolarHBondContact O-N 3.25Å; A229-M233 PolarHBondContact O-N 3.45Å; A229-M233 VanDerWaalsContact O-N 3.16Å |
| 230 | R | 90.4 | Very high | 84.8 | Confident | 139 Ų | 139 | 111.7 Ų | 111.7 | 53% | 0.525 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.6 | -37.3 | 177.4 | -170.6 | 176.8 | -150.1 | -79.5 | -1 | 112.2 | P226 S227 R232 M233 M234 | P226-R230 HydrophobicContact CB-CB 4.09Å; P226-R230 HydrophobicContact CB-CG 4.12Å; S227-R230 WeakPolarHBondContact O-CA 3.32Å; S227-R230 PolarHBondContact O-N 3.16Å; S227-R230 WeakPolarHBondContact OG-CB 3.36Å; S227-R230 PolarHBondContact OG-N 2.82Å; R230-R232 VanDerWaalsContact C-N 3.34Å; R230-M233 HydrophobicContact CB-CE 4.33Å; R230-M233 HydrophobicContact CG-CE 4.41Å; R230-M233 PolarHBondContact O-N 3.26Å; R230-M234 PolarHBondContact NH1-SD 2.83Å; R230-M234 VanDerWaalsContact NH1-SD 3.38Å; R230-M234 WeakPolarHBondContact O-CG 3.48Å; R230-M234 PolarHBondContact O-N 3.41Å |
| 231 | Q | 91.3 | Very high | 86.5 | Confident | 72 Ų | 72 | 109.9 Ų | 109.9 | 34% | 0.336 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60 | -44.8 | 174 | -175.8 | 176.5 | -8.2 | 0 | 0 | 111.4 | P226 S227 A229 M233 M234 E235 | P226-Q231 HydrophobicContact CG-CB 4.39Å; S227-Q231 PolarHBondContact O-N 3.37Å; A229-Q231 VanDerWaalsContact C-N 3.35Å; Q231-M233 PolarHBondContact O-N 2.89Å; Q231-M234 PolarHBondContact O-N 3.28Å; Q231-E235 HydrophobicContact CG-CG 4.37Å; Q231-E235 VanDerWaalsContact CG-OE1 3.28Å; Q231-E235 WeakPolarHBondContact CG-OE1 3.45Å; Q231-E235 PolarHBondContact NE2-OE1 3.06Å; Q231-E235 WeakPolarHBondContact O-CB 3.26Å; Q231-E235 WeakPolarHBondContact O-CG 3.4Å; Q231-E235 PolarHBondContact O-N 3.13Å |
| 232 | R | 94.8 | Very high | 88.1 | Confident | 168 Ų | 168 | 108.1 Ų | 108.1 | 63% | 0.634 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.2 | -44.5 | 176.6 | -71.9 | 174.1 | -173.6 | 164.4 | 2.2 | 112.5 | M228 A229 R230 E235 E236 | M228-R232 WeakPolarHBondContact O-CG 3.02Å; M228-R232 PolarHBondContact O-N 3.06Å; M228-R232 VanDerWaalsContact O-N 3.14Å; A229-R232 PolarHBondContact O-N 3.25Å; R230-R232 VanDerWaalsContact C-N 3.34Å; R232-E235 PolarHBondContact O-N 2.8Å; R232-E236 WeakPolarHBondContact O-CB 3.18Å; R232-E236 PolarHBondContact O-N 3.17Å |
| 233 | M | 91.8 | Very high | 89.7 | Confident | 113 Ų | 113 | 108.8 Ų | 108.8 | 56% | 0.557 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.5 | -47.2 | 177.6 | -68.9 | -172.1 | -63.6 | 0 | 0 | 111.6 | A229 R230 Q231 E235 E236 E237 | A229-M233 PolarHBondContact O-N 3.45Å; A229-M233 VanDerWaalsContact O-N 3.16Å; R230-M233 HydrophobicContact CB-CE 4.33Å; R230-M233 HydrophobicContact CG-CE 4.41Å; R230-M233 PolarHBondContact O-N 3.26Å; Q231-M233 PolarHBondContact O-N 2.89Å; M233-E235 PolarHBondContact O-N 3.46Å; M233-E236 PolarHBondContact O-N 3.25Å; M233-E237 WeakPolarHBondContact O-CG 3.37Å; M233-E237 PolarHBondContact O-N 3.36Å |
| 234 | M | 92.5 | Very high | 91.4 | Very high | 74 Ų | 74 | 105.2 Ų | 105.2 | 37% | 0.365 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -37 | 178.5 | -67 | -171.9 | -51.7 | 0 | 0 | 112.7 | P226 R230 Q231 R238 | P226-M234 HydrophobicContact CB-CE 4.05Å; P226-M234 HydrophobicContact CG-CE 3.65Å; R230-M234 PolarHBondContact NH1-SD 2.83Å; R230-M234 VanDerWaalsContact NH1-SD 3.38Å; R230-M234 WeakPolarHBondContact O-CG 3.48Å; R230-M234 PolarHBondContact O-N 3.41Å; Q231-M234 PolarHBondContact O-N 3.28Å; M234-R238 VanDerWaalsContact O-CB 3.29Å; M234-R238 WeakPolarHBondContact O-CB 3.19Å; M234-R238 PolarHBondContact O-N 2.93Å |
| 235 | E | 91.9 | Very high | 92.3 | Very high | 91 Ų | 91 | 108.7 Ų | 108.7 | 43% | 0.425 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 175.9 | -76.7 | 173.9 | -172.4 | 0 | 0 | 111.6 | Q231 R232 M233 R238 Q239 | Q231-E235 HydrophobicContact CG-CG 4.37Å; Q231-E235 VanDerWaalsContact CG-OE1 3.28Å; Q231-E235 WeakPolarHBondContact CG-OE1 3.45Å; Q231-E235 PolarHBondContact NE2-OE1 3.06Å; Q231-E235 WeakPolarHBondContact O-CB 3.26Å; Q231-E235 WeakPolarHBondContact O-CG 3.4Å; Q231-E235 PolarHBondContact O-N 3.13Å; R232-E235 PolarHBondContact O-N 2.8Å; M233-E235 PolarHBondContact O-N 3.46Å; E235-R238 PolarHBondContact O-N 3.15Å; E235-Q239 WeakPolarHBondContact O-CB 3.42Å; E235-Q239 VanDerWaalsContact O-CG 3.3Å; E235-Q239 WeakPolarHBondContact O-CG 3.33Å; E235-Q239 PolarHBondContact O-N 3.17Å |
| 236 | E | 94.5 | Very high | 92.9 | Very high | 94 Ų | 94 | 103.1 Ų | 103.1 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 174.7 | -171.4 | -176.5 | 162 | 0 | 0 | 111.5 | R232 M233 R238 Q239 R240 | R232-E236 WeakPolarHBondContact O-CB 3.18Å; R232-E236 PolarHBondContact O-N 3.17Å; M233-E236 PolarHBondContact O-N 3.25Å; E236-R238 VanDerWaalsContact C-N 3.31Å; E236-R238 PolarHBondContact O-N 3.4Å; E236-Q239 WeakPolarHBondContact O-CB 3.43Å; E236-Q239 PolarHBondContact O-N 3.24Å; E236-Q239 VanDerWaalsContact O-N 3.15Å; E236-R240 WeakPolarHBondContact O-CG 3.46Å; E236-R240 PolarHBondContact O-N 3.24Å; E236-R240 IonicContact OE1-CZ 2.76Å; E236-R240 IonicContact OE1-NE 2.75Å; E236-R240 PolarHBondContact OE1-NE 3.2Å; E236-R240 IonicContact OE1-NH2 3.06Å; E236-R240 PolarHBondContact OE1-NH2 3.44Å |
| 237 | E | 94.1 | Very high | 93.4 | Very high | 131 Ų | 131 | 106.3 Ų | 106.3 | 61% | 0.612 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.3 | -44.3 | 174.9 | -74.9 | 175.8 | 178.3 | 0 | 0 | 111.6 | M233 Q239 R240 A241 | M233-E237 WeakPolarHBondContact O-CG 3.37Å; M233-E237 PolarHBondContact O-N 3.36Å; E237-Q239 VanDerWaalsContact C-N 3.34Å; E237-Q239 PolarHBondContact O-N 3.32Å; E237-R240 PolarHBondContact O-N 3.13Å; E237-A241 WeakPolarHBondContact O-CB 3.26Å; E237-A241 PolarHBondContact O-N 2.95Å |
| 238 | R | 95.9 | Very high | 93.7 | Very high | 182 Ų | 182 | 107.8 Ų | 107.8 | 69% | 0.687 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.4 | -44.1 | 175.4 | -178.6 | -169.8 | 136.4 | 96.4 | 5.4 | 111.2 | M234 E235 E236 A241 V242 | M234-R238 VanDerWaalsContact O-CB 3.29Å; M234-R238 WeakPolarHBondContact O-CB 3.19Å; M234-R238 PolarHBondContact O-N 2.93Å; E235-R238 PolarHBondContact O-N 3.15Å; E236-R238 VanDerWaalsContact C-N 3.31Å; E236-R238 PolarHBondContact O-N 3.4Å; R238-A241 PolarHBondContact O-N 3.1Å; R238-V242 VanDerWaalsContact O-CG2 3.27Å; R238-V242 WeakPolarHBondContact O-CG2 3.34Å; R238-V242 PolarHBondContact O-N 3.39Å |
| 239 | Q | 95.1 | Very high | 93.5 | Very high | 119 Ų | 119 | 104.8 Ų | 104.8 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.7 | -47.5 | 177.1 | -76.9 | 174.1 | -3.7 | 0 | 0 | 111.2 | E235 E236 E237 A241 V242 E243 | E235-Q239 WeakPolarHBondContact O-CB 3.42Å; E235-Q239 VanDerWaalsContact O-CG 3.3Å; E235-Q239 WeakPolarHBondContact O-CG 3.33Å; E235-Q239 PolarHBondContact O-N 3.17Å; E236-Q239 WeakPolarHBondContact O-CB 3.43Å; E236-Q239 PolarHBondContact O-N 3.24Å; E236-Q239 VanDerWaalsContact O-N 3.15Å; E237-Q239 VanDerWaalsContact C-N 3.34Å; E237-Q239 PolarHBondContact O-N 3.32Å; Q239-A241 VanDerWaalsContact C-N 3.33Å; Q239-A241 PolarHBondContact O-N 3.17Å; Q239-V242 PolarHBondContact O-N 3.29Å; Q239-E243 WeakPolarHBondContact O-CG 3.33Å; Q239-E243 PolarHBondContact O-N 2.88Å |
| 240 | R | 95.9 | Very high | 93.4 | Very high | 163 Ų | 163 | 106.4 Ų | 106.4 | 62% | 0.615 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -57.3 | -44.3 | 176.2 | -70.3 | -175.7 | -172.2 | -164.9 | 4.6 | 112.4 | E236 E237 E243 A244 | E236-R240 WeakPolarHBondContact O-CG 3.46Å; E236-R240 PolarHBondContact O-N 3.24Å; E236-R240 IonicContact OE1-CZ 2.76Å; E236-R240 IonicContact OE1-NE 2.75Å; E236-R240 PolarHBondContact OE1-NE 3.2Å; E236-R240 IonicContact OE1-NH2 3.06Å; E236-R240 PolarHBondContact OE1-NH2 3.44Å; E237-R240 PolarHBondContact O-N 3.13Å; R240-E243 PolarHBondContact O-N 3.45Å; R240-A244 WeakPolarHBondContact O-CB 3.32Å; R240-A244 PolarHBondContact O-N 3.13Å |
| 241 | A | 95.9 | Very high | 93.4 | Very high | 64 Ų | 64 | 105.1 Ų | 105.1 | 53% | 0.529 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E237 R238 Q239 Y245 | E237-A241 WeakPolarHBondContact O-CB 3.26Å; E237-A241 PolarHBondContact O-N 2.95Å; R238-A241 PolarHBondContact O-N 3.1Å; Q239-A241 VanDerWaalsContact C-N 3.33Å; Q239-A241 PolarHBondContact O-N 3.17Å; A241-Y245 WeakPolarHBondContact O-CB 2.97Å; A241-Y245 PolarHBondContact O-N 2.94Å |
| 242 | V | 93.6 | Very high | 93.3 | Very high | 55 Ų | 55 | 106.8 Ų | 106.8 | 33% | 0.333 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 177 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | R238 Q239 Y245 R246 | R238-V242 VanDerWaalsContact O-CG2 3.27Å; R238-V242 WeakPolarHBondContact O-CG2 3.34Å; R238-V242 PolarHBondContact O-N 3.39Å; Q239-V242 PolarHBondContact O-N 3.29Å; V242-Y245 PolarHBondContact O-N 3.35Å; V242-R246 WeakPolarHBondContact O-CB 3.24Å; V242-R246 WeakPolarHBondContact O-CG 3.12Å; V242-R246 PolarHBondContact O-N 3.19Å |
| 243 | E | 93.1 | Very high | 92.8 | Very high | 112 Ų | 112 | 100.7 Ų | 100.7 | 52% | 0.523 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 176.8 | -73 | 176.3 | -179.1 | 0 | 0 | 111.7 | Q239 R240 Y245 R246 L247 | Q239-E243 WeakPolarHBondContact O-CG 3.33Å; Q239-E243 PolarHBondContact O-N 2.88Å; R240-E243 PolarHBondContact O-N 3.45Å; E243-Y245 VanDerWaalsContact C-N 3.31Å; E243-Y245 PolarHBondContact O-N 2.73Å; E243-R246 WeakPolarHBondContact O-CB 3.27Å; E243-R246 PolarHBondContact O-N 2.89Å; E243-L247 WeakPolarHBondContact O-CG 3.34Å; E243-L247 PolarHBondContact O-N 3Å |
| 244 | A | 96.2 | Very high | 92.6 | Very high | 58 Ų | 58 | 101.4 Ų | 101.4 | 48% | 0.479 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R240 L247 L248 | R240-A244 WeakPolarHBondContact O-CB 3.32Å; R240-A244 PolarHBondContact O-N 3.13Å; A244-L247 PolarHBondContact O-N 3.33Å; A244-L248 WeakPolarHBondContact O-CB 3.48Å; A244-L248 PolarHBondContact O-N 3.3Å |
| 245 | Y | 95 | Very high | 92.3 | Very high | 134 Ų | 134 | 101.5 Ų | 101.5 | 53% | 0.525 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 175.7 | -180 | -99.4 | 0 | 0 | 0 | 112.2 | A241 V242 E243 L247 L248 K249 | A241-Y245 WeakPolarHBondContact O-CB 2.97Å; A241-Y245 PolarHBondContact O-N 2.94Å; V242-Y245 PolarHBondContact O-N 3.35Å; E243-Y245 VanDerWaalsContact C-N 3.31Å; E243-Y245 PolarHBondContact O-N 2.73Å; Y245-L247 PolarHBondContact O-N 2.91Å; Y245-L248 PolarHBondContact O-N 2.93Å; Y245-K249 WeakPolarHBondContact O-CB 3.47Å; Y245-K249 PolarHBondContact O-N 2.88Å |
| 246 | R | 92.1 | Very high | 91.9 | Very high | 87 Ų | 87 | 101.8 Ų | 101.8 | 33% | 0.328 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58 | -46.3 | 175.4 | -80 | 173.5 | 163.5 | 174.4 | -8.9 | 111.5 | D167 E170 V242 E243 K249 K250 | D167-R246 IonicContact OD1-NH2 2.67Å; D167-R246 PolarHBondContact OD1-NH2 3.41Å; D167-R246 VanDerWaalsContact OD1-NH2 3.09Å; E170-R246 IonicContact OE1-CZ 2.88Å; E170-R246 IonicContact OE1-NE 2.86Å; E170-R246 PolarHBondContact OE1-NE 2.79Å; E170-R246 IonicContact OE2-CZ 3.21Å; E170-R246 IonicContact OE2-NE 3.77Å; E170-R246 PolarHBondContact OE2-NE 3.2Å; E170-R246 IonicContact OE2-NH2 3.78Å; E170-R246 PolarHBondContact OE2-NH2 3.34Å; V242-R246 WeakPolarHBondContact O-CB 3.24Å; V242-R246 WeakPolarHBondContact O-CG 3.12Å; V242-R246 PolarHBondContact O-N 3.19Å; E243-R246 WeakPolarHBondContact O-CB 3.27Å; E243-R246 PolarHBondContact O-N 2.89Å; R246-K249 PolarHBondContact O-N 3.38Å; R246-K250 WeakPolarHBondContact O-CB 3.31Å; R246-K250 WeakPolarHBondContact O-CG 3.43Å; R246-K250 PolarHBondContact O-N 2.68Å |
| 247 | L | 94.6 | Very high | 91.4 | Very high | 120 Ų | 120 | 103.4 Ų | 103.4 | 63% | 0.628 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.7 | -47.4 | 178 | -69.1 | 174.7 | 0 | 0 | 0 | 111.8 | E243 A244 Y245 K249 K250 Q251 | E243-L247 WeakPolarHBondContact O-CG 3.34Å; E243-L247 PolarHBondContact O-N 3Å; A244-L247 PolarHBondContact O-N 3.33Å; Y245-L247 PolarHBondContact O-N 2.91Å; L247-K249 VanDerWaalsContact C-N 3.32Å; L247-K249 PolarHBondContact O-N 3.49Å; L247-K250 WeakPolarHBondContact O-CB 3.48Å; L247-K250 PolarHBondContact O-N 3.31Å; L247-Q251 PolarHBondContact O-N 3.38Å |
| 248 | L | 93.9 | Very high | 91 | Very high | 109 Ų | 109 | 101.7 Ų | 101.7 | 57% | 0.571 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.2 | -40.2 | 179.5 | -172.2 | 145.5 | 0 | 0 | 0 | 111.7 | A244 Y245 Q251 K252 | A244-L248 WeakPolarHBondContact O-CB 3.48Å; A244-L248 PolarHBondContact O-N 3.3Å; Y245-L248 PolarHBondContact O-N 2.93Å; L248-Q251 PolarHBondContact O-N 3.42Å; L248-K252 PolarHBondContact O-N 3.35Å |
| 249 | K | 88.4 | Confident | 90.3 | Very high | 53 Ų | 53 | 100.5 Ų | 100.5 | 23% | 0.23 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -68.6 | -39.4 | 176.9 | -167.3 | 76 | -177.6 | -164.2 | 0 | 111.9 | F174 Y245 R246 L247 K252 Q253 | F174-K249 HydrophobicContact CD1-CB 4.31Å; F174-K249 HydrophobicContact CD1-CD 4.44Å; F174-K249 HydrophobicContact CD1-CG 3.36Å; F174-K249 HydrophobicContact CE1-CB 4.28Å; F174-K249 HydrophobicContact CE1-CG 3.69Å; F174-K249 HydrophobicContact CG-CG 4.25Å; Y245-K249 WeakPolarHBondContact O-CB 3.47Å; Y245-K249 PolarHBondContact O-N 2.88Å; R246-K249 PolarHBondContact O-N 3.38Å; L247-K249 VanDerWaalsContact C-N 3.32Å; L247-K249 PolarHBondContact O-N 3.49Å; K249-K252 PolarHBondContact O-N 3.44Å; K249-Q253 PolarHBondContact O-N 2.87Å |
| 250 | K | 90.1 | Very high | 89.6 | Confident | 97 Ų | 97 | 100.1 Ų | 100.1 | 42% | 0.422 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 172.5 | -80.1 | 177.5 | -178.5 | -179.9 | 0 | 111.6 | F174 R246 L247 Q253 Q254 | F174-K250 HydrophobicContact CE1-CG 4.45Å; F174-K250 HydrophobicContact CE2-CG 4.49Å; F174-K250 HydrophobicContact CZ-CG 3.71Å; R246-K250 WeakPolarHBondContact O-CB 3.31Å; R246-K250 WeakPolarHBondContact O-CG 3.43Å; R246-K250 PolarHBondContact O-N 2.68Å; L247-K250 WeakPolarHBondContact O-CB 3.48Å; L247-K250 PolarHBondContact O-N 3.31Å; K250-Q253 PolarHBondContact O-N 3.27Å; K250-Q254 PolarHBondContact O-N 3.48Å; K250-Q254 VanDerWaalsContact O-N 3.11Å |
| 251 | Q | 91.2 | Very high | 88.8 | Confident | 111 Ų | 111 | 95.3 Ų | 95.3 | 52% | 0.519 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.8 | -48 | 176.7 | -176.4 | -175.9 | -12.7 | 0 | 0 | 111.5 | L247 L248 Q253 Q254 E255 | L247-Q251 PolarHBondContact O-N 3.38Å; L248-Q251 PolarHBondContact O-N 3.42Å; Q251-Q253 VanDerWaalsContact C-N 3.27Å; Q251-Q253 PolarHBondContact O-N 3.45Å; Q251-Q254 PolarHBondContact O-N 3.2Å; Q251-Q254 VanDerWaalsContact O-N 3.11Å; Q251-E255 WeakPolarHBondContact CG-OE1 3.48Å; Q251-E255 PolarHBondContact NE2-OE1 2.97Å; Q251-E255 WeakPolarHBondContact O-CG 3.5Å; Q251-E255 PolarHBondContact O-N 2.88Å |
| 252 | K | 89.1 | Confident | 87.8 | Confident | 108 Ų | 108 | 96.1 Ų | 96.1 | 47% | 0.47 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.9 | -35.7 | 178.8 | -171.2 | 173 | -179.1 | 174.2 | 0 | 112.7 | L248 K249 Q256 | L248-K252 PolarHBondContact O-N 3.35Å; K249-K252 PolarHBondContact O-N 3.44Å; K252-Q256 WeakPolarHBondContact O-CG 3.11Å; K252-Q256 PolarHBondContact O-N 2.67Å |
| 253 | Q | 83.8 | Confident | 86.8 | Confident | 40 Ų | 40 | 100.1 Ų | 100.1 | 19% | 0.187 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -68 | -42.1 | 174.6 | -78.5 | -165.4 | -15.5 | 0 | 0 | 112.5 | L173 F174 K249 K250 Q251 E255 Q256 Q257 | L173-Q253 PolarHBondContact O-NE2 3.28Å; F174-Q253 HydrophobicContact CD1-CG 4.37Å; F174-Q253 HydrophobicContact CE1-CG 3.88Å; F174-Q253 VanDerWaalsContact CE1-NE2 3.34Å; K249-Q253 PolarHBondContact O-N 2.87Å; K250-Q253 PolarHBondContact O-N 3.27Å; Q251-Q253 VanDerWaalsContact C-N 3.27Å; Q251-Q253 PolarHBondContact O-N 3.45Å; Q253-E255 VanDerWaalsContact C-N 3.32Å; Q253-E255 PolarHBondContact O-N 2.93Å; Q253-Q256 PolarHBondContact O-N 3.47Å; Q253-Q257 WeakPolarHBondContact O-CG 3.12Å; Q253-Q257 PolarHBondContact O-N 3Å |
| 254 | Q | 87.5 | Confident | 85.1 | Confident | 127 Ų | 127 | 98 Ų | 98 | 59% | 0.593 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.8 | -43.5 | 175 | -70.5 | 178.6 | -7.1 | 0 | 0 | 111.2 | K250 Q251 Q256 Q257 T258 | K250-Q254 PolarHBondContact O-N 3.48Å; K250-Q254 VanDerWaalsContact O-N 3.11Å; Q251-Q254 PolarHBondContact O-N 3.2Å; Q251-Q254 VanDerWaalsContact O-N 3.11Å; Q254-Q256 VanDerWaalsContact C-N 3.32Å; Q254-Q256 PolarHBondContact O-N 3.42Å; Q254-Q257 PolarHBondContact O-N 2.86Å; Q254-T258 WeakPolarHBondContact O-CG2 3.48Å; Q254-T258 PolarHBondContact O-N 3.27Å; Q254-T258 PolarHBondContact O-OG1 3.07Å |
| 255 | E | 87.1 | Confident | 83 | Confident | 76 Ų | 76 | 106.9 Ų | 106.9 | 36% | 0.355 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.7 | -37.9 | 175.4 | -69.9 | 173.8 | -166.7 | 0 | 0 | 112.8 | Q251 Q253 T258 R259 | Q251-E255 WeakPolarHBondContact CG-OE1 3.48Å; Q251-E255 PolarHBondContact NE2-OE1 2.97Å; Q251-E255 WeakPolarHBondContact O-CG 3.5Å; Q251-E255 PolarHBondContact O-N 2.88Å; Q253-E255 VanDerWaalsContact C-N 3.32Å; Q253-E255 PolarHBondContact O-N 2.93Å; E255-T258 WeakPolarHBondContact CA-OG1 3.37Å; E255-T258 PolarHBondContact O-OG1 3.47Å; E255-R259 WeakPolarHBondContact O-CB 3.42Å; E255-R259 WeakPolarHBondContact O-CG 3.35Å; E255-R259 PolarHBondContact O-N 3.41Å |
| 256 | Q | 83.4 | Confident | 82.4 | Confident | 98 Ų | 98 | 105.6 Ų | 105.6 | 46% | 0.458 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 174.4 | -75.1 | 178 | -15.9 | 0 | 0 | 111.9 | K252 Q253 Q254 R259 N260 | K252-Q256 WeakPolarHBondContact O-CG 3.11Å; K252-Q256 PolarHBondContact O-N 2.67Å; Q253-Q256 PolarHBondContact O-N 3.47Å; Q254-Q256 VanDerWaalsContact C-N 3.32Å; Q254-Q256 PolarHBondContact O-N 3.42Å; Q256-R259 PolarHBondContact O-N 2.88Å; Q256-N260 WeakPolarHBondContact O-CB 3.41Å; Q256-N260 PolarHBondContact O-N 3.46Å; Q256-N260 PolarHBondContact O-ND2 3.33Å |
| 257 | Q | 84 | Confident | 81.9 | Confident | 128 Ų | 128 | 106.5 Ų | 106.5 | 60% | 0.598 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.2 | -44 | 176.5 | -72.5 | 176.2 | 3.1 | 0 | 0 | 111.9 | Q253 Q254 N260 A261 | Q253-Q257 WeakPolarHBondContact O-CG 3.12Å; Q253-Q257 PolarHBondContact O-N 3Å; Q254-Q257 PolarHBondContact O-N 2.86Å; Q257-N260 PolarHBondContact O-N 2.96Å; Q257-A261 VanDerWaalsContact O-CB 3.27Å; Q257-A261 WeakPolarHBondContact O-CB 3.44Å; Q257-A261 PolarHBondContact O-N 3.3Å |
| 258 | T | 84.6 | Confident | 81.1 | Confident | 94 Ų | 94 | 105.8 Ų | 105.8 | 58% | 0.577 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.4 | -41.8 | 177.1 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | Q254 E255 A261 S262 | Q254-T258 WeakPolarHBondContact O-CG2 3.48Å; Q254-T258 PolarHBondContact O-N 3.27Å; Q254-T258 PolarHBondContact O-OG1 3.07Å; E255-T258 WeakPolarHBondContact CA-OG1 3.37Å; E255-T258 PolarHBondContact O-OG1 3.47Å; T258-A261 PolarHBondContact O-N 3.09Å; T258-S262 WeakPolarHBondContact O-CB 3.04Å; T258-S262 PolarHBondContact O-N 3.19Å; T258-S262 PolarHBondContact O-OG 3.2Å |
| 259 | R | 82.2 | Confident | 80.4 | Confident | 157 Ų | 157 | 105.6 Ų | 105.6 | 59% | 0.592 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61 | -48.7 | 174.2 | -75.4 | 175.3 | -176.7 | -175.7 | 4 | 112 | E255 Q256 A261 S262 L263 | E255-R259 WeakPolarHBondContact O-CB 3.42Å; E255-R259 WeakPolarHBondContact O-CG 3.35Å; E255-R259 PolarHBondContact O-N 3.41Å; Q256-R259 PolarHBondContact O-N 2.88Å; R259-A261 VanDerWaalsContact C-N 3.33Å; R259-A261 PolarHBondContact O-N 3.31Å; R259-S262 WeakPolarHBondContact CA-OG 3.02Å; R259-S262 PolarHBondContact O-N 3.37Å; R259-S262 VanDerWaalsContact O-N 3.16Å; R259-S262 PolarHBondContact O-OG 3.44Å; R259-L263 WeakPolarHBondContact O-CG 3.38Å; R259-L263 PolarHBondContact O-N 3.28Å |
| 260 | N | 79.3 | Confident | 79.9 | Confident | 111 Ų | 111 | 108.9 Ų | 108.9 | 59% | 0.594 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.4 | -38.6 | 178.1 | -69.2 | -14.7 | 0 | 0 | 0 | 111.9 | Q256 Q257 S262 L263 G264 | Q256-N260 WeakPolarHBondContact O-CB 3.41Å; Q256-N260 PolarHBondContact O-N 3.46Å; Q256-N260 PolarHBondContact O-ND2 3.33Å; Q257-N260 PolarHBondContact O-N 2.96Å; N260-S262 VanDerWaalsContact C-N 3.32Å; N260-S262 PolarHBondContact O-N 3.1Å; N260-L263 PolarHBondContact O-N 3.11Å; N260-G264 PolarHBondContact O-N 2.79Å |
| 261 | A | 80.3 | Confident | 79.2 | Confident | 63 Ų | 63 | 109.7 Ų | 109.7 | 52% | 0.521 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68 | -29.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q257 T258 R259 | Q257-A261 VanDerWaalsContact O-CB 3.27Å; Q257-A261 WeakPolarHBondContact O-CB 3.44Å; Q257-A261 PolarHBondContact O-N 3.3Å; T258-A261 PolarHBondContact O-N 3.09Å; R259-A261 VanDerWaalsContact C-N 3.33Å; R259-A261 PolarHBondContact O-N 3.31Å |
| 262 | S | 74.1 | Confident | 78.4 | Confident | 80 Ų | 80 | 109.6 Ų | 109.6 | 56% | 0.559 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -76.6 | -26.6 | 174.7 | 67.8 | 0 | 0 | 0 | 0 | 113.9 | T258 R259 N260 | T258-S262 WeakPolarHBondContact O-CB 3.04Å; T258-S262 PolarHBondContact O-N 3.19Å; T258-S262 PolarHBondContact O-OG 3.2Å; R259-S262 WeakPolarHBondContact CA-OG 3.02Å; R259-S262 PolarHBondContact O-N 3.37Å; R259-S262 VanDerWaalsContact O-N 3.16Å; R259-S262 PolarHBondContact O-OG 3.44Å; N260-S262 VanDerWaalsContact C-N 3.32Å; N260-S262 PolarHBondContact O-N 3.1Å |
| 263 | L | 73.1 | Confident | 77.5 | Confident | 140 Ų | 140 | 109.7 Ų | 109.7 | 73% | 0.733 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -86.5 | -16 | 178.7 | -74.7 | 161.9 | 0 | 0 | 0 | 113.4 | R259 N260 | R259-L263 WeakPolarHBondContact O-CG 3.38Å; R259-L263 PolarHBondContact O-N 3.28Å; N260-L263 PolarHBondContact O-N 3.11Å |
| 264 | G | 58.1 | Low | 77 | Confident | 68 Ų | 68 | 115.5 Ų | 115.5 | 70% | 0.701 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 12.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | N260 | N260-G264 PolarHBondContact O-N 2.79Š|
| 265 | K | 50.7 | Low | 76.1 | Confident | 244 Ų | 244 | 114.5 Ų | 114.5 | 100% | 1.061 | 61% | 0.614 | S | S | * | * | trans | -113.3 | 0 | 170.2 | -71.1 | -173.7 | 179 | -173.9 | 0 | 109.1 |
Retrieved 265 of 265 residues in 60 ms
(Link to these results)