| 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 | 39.1 | Very low | 42.4 | Very low | 246 Ų | 246 | 160.1 Ų | 160.1 | 100% | 1.212 | 88% | 0.884 | S | S | * | * | 0 | 91 | 0 | -71.5 | 164.6 | 166 | 0 | 0 | 106.2 | |||||
| 2 | G | 40.1 | Very low | 43.1 | Very low | 82 Ų | 82 | 161.1 Ų | 161.1 | 85% | 0.845 | 89% | 0.886 | S | S | * | * | 89.6 | 53.1 | 54.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 3 | L | 37 | Very low | 43.6 | Very low | 181 Ų | 181 | 162.2 Ų | 162.2 | 95% | 0.948 | 89% | 0.888 | S | S | * | * | trans | -101.9 | 108.6 | 179.6 | -128.1 | 80.2 | 0 | 0 | 0 | 110.3 | ||||
| 4 | R | 38.8 | Very low | 44.2 | Very low | 235 Ų | 235 | 162.6 Ų | 162.6 | 89% | 0.887 | 89% | 0.888 | S | S | * | * | trans | -86.6 | 135.2 | 174.1 | -94.6 | 178 | 169.1 | 179.4 | -3.7 | 110.3 | ||||
| 5 | S | 41.3 | Very low | 44.6 | Very low | 100 Ų | 100 | 161.2 Ų | 161.2 | 70% | 0.699 | 88% | 0.878 | S | S | * | * | trans | 56.4 | 101.4 | 132 | -178.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 6 | H | 38.8 | Very low | 44.9 | Very low | 188 Ų | 188 | 164.1 Ų | 164.1 | 87% | 0.87 | 88% | 0.88 | S | S | * | * | trans | -143 | 82.2 | 147.2 | -74.7 | -72.2 | 0 | 0 | 0 | 110.9 | ||||
| 7 | H | 43.8 | Very low | 45.4 | Very low | 183 Ų | 183 | 164.8 Ų | 164.8 | 85% | 0.847 | 88% | 0.882 | S | S | * | * | trans | -129.1 | 83.9 | 162.5 | -85.2 | -67.5 | 0 | 0 | 0 | 108.1 | ||||
| 8 | L | 46.7 | Very low | 45.4 | Very low | 173 Ų | 173 | 163.2 Ų | 163.2 | 91% | 0.906 | 87% | 0.873 | S | S | * | * | trans | -172 | 86.4 | 169.1 | -105.9 | 133.8 | 0 | 0 | 0 | 109 | ||||
| 9 | S | 45.7 | Very low | 45.5 | Very low | 115 Ų | 115 | 160.2 Ų | 160.2 | 80% | 0.804 | 86% | 0.863 | S | S | * | * | trans | 179.8 | 61.4 | 160.6 | 40.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 10 | L | 45.5 | Very low | 45.6 | Very low | 187 Ų | 187 | 157.2 Ų | 157.2 | 98% | 0.979 | 86% | 0.861 | S | S | * | * | S | Bend | trans | -154.2 | 39.2 | 167.8 | -128 | 121.3 | 0 | 0 | 0 | 113.6 | ||
| 11 | G | 50.1 | Low | 45.6 | Very low | 71 Ų | 71 | 156.9 Ų | 156.9 | 73% | 0.732 | 85% | 0.854 | S | S | * | * | S | Bend | trans | -139.9 | 30.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 12 | L | 50.8 | Low | 45.8 | Very low | 172 Ų | 172 | 151.4 Ų | 151.4 | 90% | 0.901 | 84% | 0.839 | S | S | * | * | trans | -152.5 | 53.9 | 179.5 | -141.9 | 91.5 | 0 | 0 | 0 | 114.6 | ||||
| 13 | L | 49.1 | Very low | 46.4 | Very low | 175 Ų | 175 | 154.6 Ų | 154.6 | 92% | 0.916 | 84% | 0.835 | S | S | * | * | trans | -148.7 | 47.2 | 171.4 | -119.9 | 141.4 | 0 | 0 | 0 | 112.3 | ||||
| 14 | L | 51.8 | Low | 47.3 | Very low | 168 Ų | 168 | 149.2 Ų | 149.2 | 88% | 0.88 | 82% | 0.824 | S | S | * | * | trans | -145.1 | 61.1 | 176.8 | -124 | 145.8 | 0 | 0 | 0 | 109.6 | ||||
| 15 | L | 50.5 | Low | 48.4 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | -161.2 | 54.4 | 174.9 | -122.2 | 138.5 | 0 | 0 | 0 | 113.1 | ||||
| 16 | F | 49.8 | Very low | 49.9 | Very low | 208 Ų | 208 | 141.6 Ų | 141.6 | 91% | 0.912 | 79% | 0.793 | S | S | * | * | trans | -144.9 | 45.4 | 165.1 | -80.2 | -65.1 | 0 | 0 | 0 | 113.2 | ||||
| 17 | L | 52.3 | Low | 51.8 | Low | 175 Ų | 175 | 135.5 Ų | 135.5 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | trans | -135.6 | 65.4 | 158.6 | -72.4 | 172.9 | 0 | 0 | 0 | 107.9 | ||||
| 18 | L | 46.1 | Very low | 53.8 | Low | 137 Ų | 137 | 136.4 Ų | 136.4 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | trans | -73.6 | 126.9 | 157.7 | -75.7 | 167.6 | 0 | 0 | 0 | 106.5 | ||||
| 19 | P | 46.8 | Very low | 55.8 | Low | 105 Ų | 105 | 130.4 Ų | 130.4 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | trans | -57.2 | 143.9 | 168.8 | 26.8 | -31.2 | 0 | 0 | 0 | 107.4 | E21 | P19-E21 VanDerWaalsContact C-N 3.34Å; P19-E21 PolarHBondContact O-N 3.33Å | ||
| 20 | A | 47.5 | Very low | 57.8 | Low | 100 Ų | 100 | 126.5 Ų | 126.5 | 83% | 0.826 | 72% | 0.72 | S | S | * | * | trans | -51 | 103.7 | 171 | 0 | 0 | 0 | 0 | 0 | 108.1 | C22 | A20-C22 PolarHBondContact O-N 3.44Å; A20-C22 VanDerWaalsContact O-N 3.11Å | ||
| 21 | E | 45.6 | Very low | 60 | Low | 151 Ų | 151 | 123.5 Ų | 123.5 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | trans | -58.9 | 117.5 | 167.5 | -70.3 | -177.7 | 157.9 | 0 | 0 | 105.1 | P19 L23 | P19-E21 VanDerWaalsContact C-N 3.34Å; P19-E21 PolarHBondContact O-N 3.33Å; E21-L23 HydrophobicContact CB-CD1 4.23Å; E21-L23 PolarHBondContact O-N 3Å | ||
| 22 | C | 43.8 | Very low | 62 | Low | 132 Ų | 132 | 125 Ų | 125 | 89% | 0.892 | 69% | 0.691 | S | S | * | * | trans | -61.2 | 89.5 | 164 | -82 | 0 | 0 | 0 | 0 | 106.9 | A20 G24 | A20-C22 PolarHBondContact O-N 3.44Å; A20-C22 VanDerWaalsContact O-N 3.11Å; C22-G24 PolarHBondContact O-N 3.29Å | ||
| 23 | L | 52.8 | Low | 64.1 | Low | 149 Ų | 149 | 116.9 Ų | 116.9 | 78% | 0.78 | 65% | 0.649 | S | S | * | * | trans | -62.6 | 101.4 | 167.3 | -91.6 | 90 | 0 | 0 | 0 | 106.8 | E21 A25 | E21-L23 HydrophobicContact CB-CD1 4.23Å; E21-L23 PolarHBondContact O-N 3Å; L23-A25 PolarHBondContact O-N 3.38Å | ||
| 24 | G | 55.9 | Low | 66.2 | Low | 68 Ų | 68 | 112 Ų | 112 | 70% | 0.701 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 136.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | C22 E26 | C22-G24 PolarHBondContact O-N 3.29Å; G24-E26 PolarHBondContact O-N 3.47Å |
| 25 | A | 62.5 | Low | 68.3 | Low | 37 Ų | 37 | 112.7 Ų | 112.7 | 31% | 0.306 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -54.9 | 140.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L23 G27 G99 L101 | L23-A25 PolarHBondContact O-N 3.38Å; A25-G27 PolarHBondContact O-N 3.45Å; A25-G99 WeakPolarHBondContact CB-O 3.24Å; A25-L101 HydrophobicContact CB-CD1 3.48Å; A25-L101 VanDerWaalsContact CB-CD1 3.48Å; A25-L101 HydrophobicContact CB-CG 3.59Å |
| 26 | E | 72.8 | Confident | 70.4 | Confident | 137 Ų | 137 | 108.9 Ų | 108.9 | 64% | 0.64 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 131.4 | 174.5 | -70.1 | -175.7 | 167.6 | 0 | 0 | 110.4 | G24 R28 L29 | G24-E26 PolarHBondContact O-N 3.47Å; E26-R28 PolarHBondContact O-N 3.08Å; E26-L29 HydrophobicContact CB-CG 4.49Å; E26-L29 WeakPolarHBondContact O-CB 3.31Å; E26-L29 PolarHBondContact O-N 3.17Å |
| 27 | G | 78.1 | Confident | 72.5 | Confident | 60 Ų | 60 | 100 Ų | 100 | 62% | 0.619 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -56.1 | -21.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A25 L29 A30 L31 | A25-G27 PolarHBondContact O-N 3.45Å; G27-L29 VanDerWaalsContact C-N 3.35Å; G27-A30 PolarHBondContact O-N 2.98Å; G27-L31 PolarHBondContact O-N 3.26Å; G27-L31 VanDerWaalsContact O-N 3.11Å |
| 28 | R | 85.6 | Confident | 74.5 | Confident | 202 Ų | 202 | 93.6 Ų | 93.6 | 76% | 0.762 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.4 | -37.1 | 172.3 | -170.5 | -179 | -177.6 | -169.1 | 1.4 | 112.7 | E26 L31 K32 | E26-R28 PolarHBondContact O-N 3.08Å; R28-L31 PolarHBondContact O-N 2.93Å; R28-K32 WeakPolarHBondContact O-CB 3.33Å; R28-K32 PolarHBondContact O-N 3.47Å |
| 29 | L | 89.1 | Confident | 76.8 | Confident | 47 Ų | 47 | 90.4 Ų | 90.4 | 25% | 0.246 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -71.3 | -36.9 | 177.5 | -65.4 | 174.3 | 0 | 0 | 0 | 111.4 | E26 G27 K32 L33 L101 | E26-L29 HydrophobicContact CB-CG 4.49Å; E26-L29 WeakPolarHBondContact O-CB 3.31Å; E26-L29 PolarHBondContact O-N 3.17Å; G27-L29 VanDerWaalsContact C-N 3.35Å; L29-K32 PolarHBondContact O-N 3.05Å; L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 PolarHBondContact O-N 3.46Å; L29-L101 HydrophobicContact CB-CD1 4.13Å |
| 30 | A | 87.9 | Confident | 78.8 | Confident | 33 Ų | 33 | 93.4 Ų | 93.4 | 27% | 0.273 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | G27 L33 F34 L101 | G27-A30 PolarHBondContact O-N 2.98Å; A30-L33 PolarHBondContact O-N 3.42Å; A30-F34 WeakPolarHBondContact O-CB 3.27Å; A30-F34 PolarHBondContact O-N 2.8Å; A30-L101 HydrophobicContact CB-CD1 4Å; A30-L101 HydrophobicContact CB-CD2 4.3Å |
| 31 | L | 90.6 | Very high | 81.1 | Confident | 124 Ų | 124 | 90.3 Ų | 90.3 | 65% | 0.649 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.1 | -40.7 | 175.5 | -176.2 | 66.7 | 0 | 0 | 0 | 112.1 | G27 R28 F34 R35 | G27-L31 PolarHBondContact O-N 3.26Å; G27-L31 VanDerWaalsContact O-N 3.11Å; R28-L31 PolarHBondContact O-N 2.93Å; L31-F34 PolarHBondContact O-N 3.49Å; L31-R35 PolarHBondContact O-N 3.18Å |
| 32 | K | 93.3 | Very high | 83.3 | Confident | 104 Ų | 104 | 86.8 Ų | 86.8 | 45% | 0.452 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.8 | -50.2 | 174.5 | -175.4 | -170 | 171.7 | -166.5 | 0 | 110.7 | R28 L29 F34 R35 D36 Y98 | R28-K32 WeakPolarHBondContact O-CB 3.33Å; R28-K32 PolarHBondContact O-N 3.47Å; L29-K32 PolarHBondContact O-N 3.05Å; K32-F34 VanDerWaalsContact C-N 3.33Å; K32-F34 PolarHBondContact O-N 3.32Å; K32-R35 PolarHBondContact O-N 3.39Å; K32-R35 VanDerWaalsContact O-N 3.14Å; K32-D36 WeakPolarHBondContact O-CB 3.32Å; K32-D36 PolarHBondContact O-N 3.43Å; K32-Y98 HydrophobicContact CD-CE1 4.33Å; K32-Y98 HydrophobicContact CG-CE1 4.36Å |
| 33 | L | 94.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -54.4 | -49.2 | 176.5 | 175.3 | 62.6 | 0 | 0 | 0 | 111.3 | L29 A30 R35 D36 L37 W93 Y98 I104 | L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 PolarHBondContact O-N 3.46Å; A30-L33 PolarHBondContact O-N 3.42Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.39Å; L33-D36 PolarHBondContact O-N 3.29Å; L33-L37 HydrophobicContact CD1-CD1 3.75Å; L33-L37 HydrophobicContact CD1-CD2 4.38Å; L33-L37 HydrophobicContact CD1-CG 3.82Å; L33-L37 HydrophobicContact CG-CD1 3.85Å; L33-L37 HydrophobicContact CG-CG 4.3Å; L33-L37 WeakPolarHBondContact O-CB 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.31Å; L33-L37 PolarHBondContact O-N 2.95Å; L33-W93 HydrophobicContact CD1-CB 3.71Å; L33-W93 HydrophobicContact CD1-CD2 3.79Å; L33-W93 HydrophobicContact CD1-CE3 4.31Å; L33-W93 HydrophobicContact CD1-CG 3.5Å; L33-W93 HydrophobicContact CD2-CD2 3.92Å; L33-W93 HydrophobicContact CD2-CG 4.21Å; L33-W93 HydrophobicContact CD2-CZ2 4.01Å; L33-W93 HydrophobicContact CG-CD2 4.43Å; L33-Y98 HydrophobicContact CB-CD1 3.61Å; L33-Y98 HydrophobicContact CB-CE1 3.8Å; L33-Y98 HydrophobicContact CB-CG 4.15Å; L33-Y98 HydrophobicContact CD1-CD1 4.09Å; L33-Y98 HydrophobicContact CD1-CD2 3.86Å; L33-Y98 HydrophobicContact CD1-CE1 3.98Å; L33-Y98 HydrophobicContact CD1-CE2 3.75Å; L33-Y98 HydrophobicContact CD1-CG 4.03Å; L33-Y98 HydrophobicContact CG-CD1 4.38Å; L33-Y98 HydrophobicContact CG-CG 4.5Å; L33-I104 HydrophobicContact CD2-CG2 3.9Å |
| 34 | F | 94.1 | Very high | 87.5 | Confident | 72 Ų | 72 | 79.7 Ų | 79.7 | 32% | 0.316 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 177.7 | -180 | -93.6 | 0 | 0 | 0 | 111.7 | A30 L31 K32 D36 F38 I106 L110 | A30-F34 WeakPolarHBondContact O-CB 3.27Å; A30-F34 PolarHBondContact O-N 2.8Å; L31-F34 PolarHBondContact O-N 3.49Å; K32-F34 VanDerWaalsContact C-N 3.33Å; K32-F34 PolarHBondContact O-N 3.32Å; F34-D36 PolarHBondContact O-N 3.34Å; F34-F38 AromaticContact CD2-CD2 3.64Å; F34-F38 HydrophobicContact CD2-CD2 3.64Å; F34-F38 AromaticContact CD2-CE2 3.76Å; F34-F38 HydrophobicContact CD2-CE2 3.76Å; F34-F38 AromaticContact CE2-CD2 3.58Å; F34-F38 HydrophobicContact CE2-CD2 3.58Å; F34-F38 AromaticContact CE2-CE2 3.68Å; F34-F38 HydrophobicContact CE2-CE2 3.68Å; F34-F38 HydrophobicContact CE2-CG 4.3Å; F34-F38 HydrophobicContact CE2-CZ 4.46Å; F34-F38 HydrophobicContact CG-CD2 4.19Å; F34-F38 HydrophobicContact CZ-CD2 4.08Å; F34-F38 HydrophobicContact CZ-CG 4.42Å; F34-F38 WeakPolarHBondContact O-CB 3.34Å; F34-F38 VanDerWaalsContact O-CD2 3.3Å; F34-F38 WeakPolarHBondContact O-CD2 3.28Å; F34-F38 PolarHBondContact O-N 3.13Å; F34-F38 VanDerWaalsContact O-N 3.1Å; F34-I106 HydrophobicContact CD2-CG2 3.95Å; F34-I106 HydrophobicContact CE2-CG2 3.94Å; F34-L110 HydrophobicContact CE2-CD1 3.9Å; F34-L110 HydrophobicContact CZ-CD1 3.79Å |
| 35 | R | 94.2 | Very high | 89.2 | Confident | 184 Ų | 184 | 82.3 Ų | 82.3 | 69% | 0.694 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.6 | -40.4 | 178 | -164.4 | -176.3 | 76.1 | 172.3 | 7 | 112.3 | L31 K32 L33 A39 | L31-R35 PolarHBondContact O-N 3.18Å; K32-R35 PolarHBondContact O-N 3.39Å; K32-R35 VanDerWaalsContact O-N 3.14Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.39Å; R35-A39 WeakPolarHBondContact O-CB 3.31Å; R35-A39 PolarHBondContact O-N 3.25Å |
| 36 | D | 94.6 | Very high | 90.7 | Very high | 62 Ų | 62 | 82.4 Ų | 82.4 | 33% | 0.332 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.3 | -44.6 | -178.8 | -65.9 | -12.5 | 0 | 0 | 0 | 111 | K32 L33 F34 Y98 | K32-D36 WeakPolarHBondContact O-CB 3.32Å; K32-D36 PolarHBondContact O-N 3.43Å; L33-D36 PolarHBondContact O-N 3.29Å; F34-D36 PolarHBondContact O-N 3.34Å; D36-Y98 PolarHBondContact OD2-OH 3.32Å |
| 37 | L | 94.3 | Very high | 91.7 | Very high | 21 Ų | 21 | 76 Ų | 76 | 11% | 0.11 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 178 | -71.3 | 175.8 | 0 | 0 | 0 | 112.5 | L33 L91 W93 I104 L136 | L33-L37 HydrophobicContact CD1-CD1 3.75Å; L33-L37 HydrophobicContact CD1-CD2 4.38Å; L33-L37 HydrophobicContact CD1-CG 3.82Å; L33-L37 HydrophobicContact CG-CD1 3.85Å; L33-L37 HydrophobicContact CG-CG 4.3Å; L33-L37 WeakPolarHBondContact O-CB 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.31Å; L33-L37 PolarHBondContact O-N 2.95Å; L37-L91 HydrophobicContact CB-CD2 4.25Å; L37-W93 HydrophobicContact CD1-CE3 3.82Å; L37-W93 HydrophobicContact CD1-CZ3 4.06Å; L37-W93 HydrophobicContact CD2-CE3 4.27Å; L37-I104 HydrophobicContact CD1-CD1 4.16Å; L37-L136 HydrophobicContact CD1-CD2 4.2Å |
| 38 | F | 95.3 | Very high | 92.5 | Very high | 40 Ų | 40 | 73.8 Ų | 73.8 | 18% | 0.175 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -93.1 | 2.1 | -171.8 | -72.8 | -84 | 0 | 0 | 0 | 114.6 | F34 N40 Y41 L91 I106 L110 V111 | F34-F38 AromaticContact CD2-CD2 3.64Å; F34-F38 HydrophobicContact CD2-CD2 3.64Å; F34-F38 AromaticContact CD2-CE2 3.76Å; F34-F38 HydrophobicContact CD2-CE2 3.76Å; F34-F38 AromaticContact CE2-CD2 3.58Å; F34-F38 HydrophobicContact CE2-CD2 3.58Å; F34-F38 AromaticContact CE2-CE2 3.68Å; F34-F38 HydrophobicContact CE2-CE2 3.68Å; F34-F38 HydrophobicContact CE2-CG 4.3Å; F34-F38 HydrophobicContact CE2-CZ 4.46Å; F34-F38 HydrophobicContact CG-CD2 4.19Å; F34-F38 HydrophobicContact CZ-CD2 4.08Å; F34-F38 HydrophobicContact CZ-CG 4.42Å; F34-F38 WeakPolarHBondContact O-CB 3.34Å; F34-F38 VanDerWaalsContact O-CD2 3.3Å; F34-F38 WeakPolarHBondContact O-CD2 3.28Å; F34-F38 PolarHBondContact O-N 3.13Å; F34-F38 VanDerWaalsContact O-N 3.1Å; F38-N40 VanDerWaalsContact C-N 3.32Å; F38-N40 PolarHBondContact O-N 2.69Å; F38-Y41 AromaticContact CD1-CD1 3.75Å; F38-Y41 HydrophobicContact CD1-CD1 3.75Å; F38-Y41 HydrophobicContact CD1-CG 4.18Å; F38-Y41 AromaticContact CE1-CD1 3.67Å; F38-Y41 HydrophobicContact CE1-CD1 3.67Å; F38-Y41 HydrophobicContact CE1-CE1 4.03Å; F38-Y41 HydrophobicContact CE1-CG 4.27Å; F38-L91 HydrophobicContact CE1-CD2 4.34Å; F38-L91 HydrophobicContact CE2-CD2 4.46Å; F38-L91 HydrophobicContact CZ-CD1 4.46Å; F38-L91 HydrophobicContact CZ-CD2 4.08Å; F38-I106 HydrophobicContact CE1-CD1 4.47Å; F38-I106 HydrophobicContact CE2-CD1 3.81Å; F38-I106 HydrophobicContact CZ-CD1 3.38Å; F38-L110 HydrophobicContact CE1-CB 4.19Å; F38-L110 WeakPolarHBondContact CE1-O 3.46Å; F38-V111 HydrophobicContact CE1-CG1 4.36Å; F38-V111 HydrophobicContact CZ-CG1 4.12Å |
| 39 | A | 93 | Very high | 92.6 | Very high | 71 Ų | 71 | 67.8 Ų | 67.8 | 59% | 0.587 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -61.5 | -37.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.2 | R35 | R35-A39 WeakPolarHBondContact O-CB 3.31Å; R35-A39 PolarHBondContact O-N 3.25Å |
| 40 | N | 90 | Very high | 92.7 | Very high | 168 Ų | 168 | 69.1 Ų | 69.1 | 90% | 0.898 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -127.1 | 21.4 | -177.4 | -67.4 | -33.2 | 0 | 0 | 0 | 112.7 | F38 | F38-N40 VanDerWaalsContact C-N 3.32Å; F38-N40 PolarHBondContact O-N 2.69Å |
| 41 | Y | 94.8 | Very high | 92.7 | Very high | 35 Ų | 35 | 72.6 Ų | 72.6 | 14% | 0.137 | 40% | 0.401 | C | S | . | . | trans | -94 | 141.3 | -178.7 | -177.9 | -94.2 | 0 | 0 | 0 | 111.3 | F38 D88 L91 L110 W112 | F38-Y41 AromaticContact CD1-CD1 3.75Å; F38-Y41 HydrophobicContact CD1-CD1 3.75Å; F38-Y41 HydrophobicContact CD1-CG 4.18Å; F38-Y41 AromaticContact CE1-CD1 3.67Å; F38-Y41 HydrophobicContact CE1-CD1 3.67Å; F38-Y41 HydrophobicContact CE1-CE1 4.03Å; F38-Y41 HydrophobicContact CE1-CG 4.27Å; Y41-D88 VanDerWaalsContact CE2-OD2 3.29Å; Y41-D88 WeakPolarHBondContact CE2-OD2 3.39Å; Y41-D88 PolarHBondContact OH-OD2 2.93Å; Y41-L91 HydrophobicContact CD2-CD1 4.45Å; Y41-L91 HydrophobicContact CD2-CD2 3.61Å; Y41-L91 HydrophobicContact CD2-CG 3.92Å; Y41-L91 HydrophobicContact CE2-CD1 3.78Å; Y41-L91 HydrophobicContact CE2-CD2 3.79Å; Y41-L91 HydrophobicContact CE2-CG 3.58Å; Y41-L91 HydrophobicContact CG-CD2 4.06Å; Y41-L110 WeakPolarHBondContact CE1-O 3.35Å; Y41-W112 PolarHBondContact OH-N 3.18Å | ||
| 42 | T | 93.3 | Very high | 92.7 | Very high | 77 Ų | 77 | 73.2 Ų | 73.2 | 47% | 0.472 | 41% | 0.405 | S | S | . | . | trans | -127.6 | 130.8 | 170 | -179.6 | 0 | 0 | 0 | 0 | 110.2 | A44 L45 | T42-A44 PolarHBondContact O-N 3.38Å; T42-A44 PolarHBondContact OG1-N 2.84Å; T42-L45 HydrophobicContact CG2-CB 4.48Å; T42-L45 HydrophobicContact CG2-CD1 4.26Å; T42-L45 HydrophobicContact CG2-CG 4.39Å | ||
| 43 | S | 92.9 | Very high | 92.6 | Very high | 51 Ų | 51 | 73.2 Ų | 73.2 | 36% | 0.357 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -1.8 | 176 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | W112 | S43-W112 WeakPolarHBondContact O-CA 3.42Å; S43-W112 VanDerWaalsContact O-CD1 3.27Å |
| 44 | A | 91.3 | Very high | 92.6 | Very high | 80 Ų | 80 | 76 Ų | 76 | 66% | 0.661 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -21.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T42 | T42-A44 PolarHBondContact O-N 3.38Å; T42-A44 PolarHBondContact OG1-N 2.84Å |
| 45 | L | 91.9 | Very high | 92.7 | Very high | 123 Ų | 123 | 73.1 Ų | 73.1 | 64% | 0.644 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -113.4 | 150 | -175.3 | -63.5 | 176.1 | 0 | 0 | 0 | 111.1 | T42 W112 | T42-L45 HydrophobicContact CG2-CB 4.48Å; T42-L45 HydrophobicContact CG2-CD1 4.26Å; T42-L45 HydrophobicContact CG2-CG 4.39Å; L45-W112 VanDerWaalsContact C-CD1 3.44Å |
| 46 | R | 94.1 | Very high | 92.7 | Very high | 39 Ų | 39 | 68.3 Ų | 68.3 | 15% | 0.147 | 40% | 0.399 | C | S | . | . | trans | -60.8 | 131.6 | 177.7 | -147.4 | -163.9 | -35.9 | 121.8 | 8.4 | 109.6 | V48 T51 Q53 L55 W112 Q181 | R46-V48 VanDerWaalsContact C-N 3.25Å; R46-V48 PolarHBondContact O-N 2.94Å; R46-T51 PolarHBondContact NH1-O 3.26Å; R46-Q53 PolarHBondContact NH1-O 3.48Å; R46-L55 HydrophobicContact CG-CD2 4.21Å; R46-W112 HydrophobicContact CB-CZ2 4.46Å; R46-W112 HydrophobicContact CG-CH2 4.1Å; R46-W112 HydrophobicContact CG-CZ2 3.7Å; R46-Q181 WeakPolarHBondContact CD-O 3.35Å | ||
| 47 | P | 94.2 | Very high | 92.9 | Very high | 4 Ų | 4 | 65.3 Ų | 65.3 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | trans | -85.2 | 62.5 | -170.4 | 34.6 | -38.7 | 0 | 0 | 0 | 112.7 | L55 D88 A89 Y90 W112 | P47-L55 HydrophobicContact CG-CD2 4.44Å; P47-D88 HydrophobicContact CB-CB 3.91Å; P47-D88 VanDerWaalsContact CB-OD1 3.28Å; P47-D88 WeakPolarHBondContact CB-OD1 3.25Å; P47-D88 VanDerWaalsContact CB-OD2 3.23Å; P47-D88 WeakPolarHBondContact CB-OD2 3.32Å; P47-D88 HydrophobicContact CG-CB 4.2Å; P47-A89 PolarHBondContact O-N 3.26Å; P47-Y90 HydrophobicContact CB-CD2 4.34Å; P47-W112 VanDerWaalsContact CD-CE3 3.41Å; P47-W112 HydrophobicContact CG-CB 4.44Å; P47-W112 HydrophobicContact CG-CD2 4.19Å; P47-W112 HydrophobicContact CG-CE3 3.81Å; P47-W112 HydrophobicContact CG-CG 4.49Å; P47-W112 HydrophobicContact CG-CZ3 4.42Å | ||
| 48 | V | 93.4 | Very high | 93 | Very high | 13 Ų | 13 | 66 Ų | 66 | 8% | 0.079 | 39% | 0.389 | C | S | . | . | trans | -113 | 143.5 | 178.1 | -66.6 | 0 | 0 | 0 | 0 | 110.2 | R46 D50 L55 Y90 | R46-V48 VanDerWaalsContact C-N 3.25Å; R46-V48 PolarHBondContact O-N 2.94Å; V48-D50 VanDerWaalsContact C-N 3.3Å; V48-D50 WeakPolarHBondContact CB-O 3.46Å; V48-D50 WeakPolarHBondContact CG2-O 3.38Å; V48-L55 HydrophobicContact CG1-CB 4.17Å; V48-L55 HydrophobicContact CG1-CD1 4.24Å; V48-Y90 PolarHBondContact O-OH 3.39Å; V48-Y90 VanDerWaalsContact O-OH 3.05Å | ||
| 49 | A | 88.9 | Confident | 93.1 | Very high | 76 Ų | 76 | 64.2 Ų | 64.2 | 63% | 0.628 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -67.5 | -34.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | A89 | A49-A89 HydrophobicContact CB-CB 4.38Š|
| 50 | D | 90.6 | Very high | 93.3 | Very high | 75 Ų | 75 | 63 Ų | 63 | 40% | 0.401 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -128 | 135.3 | 177.1 | -173.9 | -11.5 | 0 | 0 | 0 | 108.9 | V48 D52 Q53 | V48-D50 VanDerWaalsContact C-N 3.3Å; V48-D50 WeakPolarHBondContact CB-O 3.46Å; V48-D50 WeakPolarHBondContact CG2-O 3.38Å; D50-D52 PolarHBondContact O-N 3.48Å; D50-D52 PolarHBondContact OD1-N 2.96Å; D50-Q53 HydrophobicContact CB-CG 4.09Å; D50-Q53 WeakPolarHBondContact O-CB 3.49Å; D50-Q53 PolarHBondContact O-N 3.47Å; D50-Q53 VanDerWaalsContact O-N 3.09Å |
| 51 | T | 88.6 | Confident | 93.5 | Very high | 106 Ų | 106 | 55.1 Ų | 55.1 | 65% | 0.65 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -25.6 | -176.2 | 47.6 | 0 | 0 | 0 | 0 | 113.3 | R46 Q53 | R46-T51 PolarHBondContact NH1-O 3.26Å; T51-Q53 VanDerWaalsContact C-N 3.26Å; T51-Q53 PolarHBondContact O-N 3.27Å |
| 52 | D | 89.3 | Confident | 93.6 | Very high | 137 Ų | 137 | 54 Ų | 54 | 73% | 0.733 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -13.1 | 178.4 | -69.6 | -12.7 | 0 | 0 | 0 | 112.7 | D50 | D50-D52 PolarHBondContact O-N 3.48Å; D50-D52 PolarHBondContact OD1-N 2.96Å |
| 53 | Q | 92.4 | Very high | 93.7 | Very high | 103 Ų | 103 | 50.3 Ų | 50.3 | 48% | 0.481 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -79.3 | 132 | 177.1 | -68.4 | 178.9 | 9.5 | 0 | 0 | 111.7 | R46 D50 T51 | R46-Q53 PolarHBondContact NH1-O 3.48Å; D50-Q53 HydrophobicContact CB-CG 4.09Å; D50-Q53 WeakPolarHBondContact O-CB 3.49Å; D50-Q53 PolarHBondContact O-N 3.47Å; D50-Q53 VanDerWaalsContact O-N 3.09Å; T51-Q53 VanDerWaalsContact C-N 3.26Å; T51-Q53 PolarHBondContact O-N 3.27Å |
| 54 | T | 93.1 | Very high | 93.8 | Very high | 59 Ų | 59 | 48.8 Ų | 48.8 | 36% | 0.362 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 128 | 172.5 | -46.5 | 0 | 0 | 0 | 0 | 110.3 | G179 H180 D183 | T54-G179 WeakPolarHBondContact CG2-O 3.24Å; T54-H180 WeakPolarHBondContact CA-O 3.28Å; T54-H180 WeakPolarHBondContact CB-O 3.23Å; T54-H180 PolarHBondContact OG1-O 3.46Å; T54-D183 HydrophobicContact CG2-CB 3.75Å |
| 55 | L | 95.5 | Very high | 94 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 120.8 | 173.3 | -173.9 | 74.7 | 0 | 0 | 0 | 110.1 | R46 P47 V48 V57 W86 T87 W112 Q181 L182 D183 | R46-L55 HydrophobicContact CG-CD2 4.21Å; P47-L55 HydrophobicContact CG-CD2 4.44Å; V48-L55 HydrophobicContact CG1-CB 4.17Å; V48-L55 HydrophobicContact CG1-CD1 4.24Å; L55-V57 HydrophobicContact CD2-CG2 4.32Å; L55-W86 HydrophobicContact CD2-CB 4.48Å; L55-T87 WeakPolarHBondContact CD1-O 3.41Å; L55-W112 HydrophobicContact CD2-CE3 4.17Å; L55-W112 HydrophobicContact CD2-CH2 3.34Å; L55-W112 HydrophobicContact CD2-CZ2 4.39Å; L55-W112 HydrophobicContact CD2-CZ3 3.21Å; L55-Q181 PolarHBondContact N-O 3.2Å; L55-L182 WeakPolarHBondContact O-CA 3.37Å; L55-D183 PolarHBondContact O-N 3.21Å |
| 56 | N | 96.1 | Very high | 94.2 | Very high | 83 Ų | 83 | 43.2 Ų | 43.2 | 44% | 0.444 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 123.3 | 174.7 | -66.8 | -36.6 | 0 | 0 | 0 | 110.3 | ||
| 57 | V | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 115.2 | 174.2 | -179.4 | 0 | 0 | 0 | 0 | 108.5 | L55 W86 P114 I116 L182 D183 V184 R185 | L55-V57 HydrophobicContact CD2-CG2 4.32Å; V57-W86 HydrophobicContact CG2-CB 4.31Å; V57-P114 HydrophobicContact CG1-CB 4.46Å; V57-P114 HydrophobicContact CG1-CG 4.1Å; V57-P114 HydrophobicContact CG2-CB 3.98Å; V57-P114 HydrophobicContact CG2-CG 4.23Å; V57-I116 HydrophobicContact CG1-CG1 4.46Å; V57-L182 HydrophobicContact CB-CD2 4.31Å; V57-L182 HydrophobicContact CG2-CD1 4.17Å; V57-L182 HydrophobicContact CG2-CD2 3.91Å; V57-L182 HydrophobicContact CG2-CG 3.95Å; V57-D183 PolarHBondContact N-O 2.63Å; V57-V184 WeakPolarHBondContact O-CA 3.03Å; V57-R185 PolarHBondContact O-N 2.75Å |
| 58 | T | 97.6 | Very high | 94.2 | Very high | 36 Ų | 36 | 48.4 Ų | 48.4 | 22% | 0.221 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 122.9 | 174.5 | -55.1 | 0 | 0 | 0 | 0 | 109.5 | Q84 E85 R185 R187 | T58-Q84 WeakPolarHBondContact O-CA 3.36Å; T58-E85 PolarHBondContact N-O 3.43Å; T58-E85 PolarHBondContact O-N 3.2Å; T58-R185 CarbonylContact C-O 3.58Å; T58-R185 WeakPolarHBondContact CA-O 3.42Å; T58-R187 HydrophobicContact CG2-CB 3.81Å; T58-R187 HydrophobicContact CG2-CG 4.45Å |
| 59 | L | 97 | Very high | 94.2 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.3 | -179.9 | -173.6 | 66.2 | 0 | 0 | 0 | 110.2 | V61 I82 Q84 F172 V184 R185 P186 R187 V226 F228 | L59-V61 HydrophobicContact CG-CG2 4.4Å; L59-I82 HydrophobicContact CD1-CG2 3.71Å; L59-Q84 HydrophobicContact CD1-CG 3.96Å; L59-F172 HydrophobicContact CD2-CB 3.59Å; L59-F172 HydrophobicContact CD2-CD2 4.33Å; L59-F172 HydrophobicContact CD2-CG 4.03Å; L59-V184 HydrophobicContact CB-CG1 4.19Å; L59-V184 HydrophobicContact CD2-CG1 4.37Å; L59-R185 PolarHBondContact N-O 2.88Å; L59-P186 CarbonylContact O-C 3.56Å; L59-P186 WeakPolarHBondContact O-CA 3.25Å; L59-R187 PolarHBondContact O-N 3.02Å; L59-V226 HydrophobicContact CD2-CB 4.4Å; L59-F228 HydrophobicContact CD2-CE2 3.86Å; L59-F228 HydrophobicContact CG-CE2 4.33Å |
| 60 | E | 96.3 | Very high | 94.4 | Very high | 47 Ų | 47 | 46.7 Ų | 46.7 | 22% | 0.22 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127.2 | 172.8 | -179.9 | -178.9 | -173.1 | 0 | 0 | 108 | R83 R187 | E60-R83 HydrophobicContact CB-CB 4.17Å; E60-R83 PolarHBondContact N-O 2.9Å; E60-R83 PolarHBondContact O-N 2.85Å; E60-R83 IonicContact OE1-NH1 3Å; E60-R83 WeakPolarHBondContact OE2-CD 3.48Å; E60-R83 IonicContact OE2-CZ 3.39Å; E60-R83 IonicContact OE2-NH1 2.8Å; E60-R83 PolarHBondContact OE2-NH1 3.5Å; E60-R187 HydrophobicContact CB-CB 3.91Å; E60-R187 HydrophobicContact CG-CB 4.34Å |
| 61 | V | 95.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 131.8 | 177.5 | 174.8 | 0 | 0 | 0 | 0 | 108 | L59 L80 W81 F172 A191 S192 M207 F228 | L59-V61 HydrophobicContact CG-CG2 4.4Å; V61-L80 HydrophobicContact CG1-CB 4.38Å; V61-L80 HydrophobicContact CG1-CD1 4.11Å; V61-L80 HydrophobicContact CG1-CD2 4.15Å; V61-L80 HydrophobicContact CG1-CG 4.45Å; V61-W81 WeakPolarHBondContact CA-O 3.23Å; V61-F172 HydrophobicContact CG2-CE2 4.33Å; V61-A191 HydrophobicContact CB-CB 4.35Å; V61-A191 HydrophobicContact CG1-CB 4.46Å; V61-A191 CarbonylContact O-C 3.58Å; V61-A191 VanDerWaalsContact O-CA 3.27Å; V61-A191 WeakPolarHBondContact O-CA 3.32Å; V61-A191 WeakPolarHBondContact O-CB 3.26Å; V61-S192 PolarHBondContact O-N 3.35Å; V61-M207 HydrophobicContact CG1-CE 4.26Å; V61-F228 HydrophobicContact CB-CD1 4.33Å; V61-F228 HydrophobicContact CB-CD2 4.42Å; V61-F228 HydrophobicContact CB-CE1 4.02Å; V61-F228 HydrophobicContact CB-CE2 4.13Å; V61-F228 HydrophobicContact CB-CZ 3.91Å; V61-F228 HydrophobicContact CG2-CD2 3.94Å; V61-F228 HydrophobicContact CG2-CE1 4.27Å; V61-F228 HydrophobicContact CG2-CE2 3.48Å; V61-F228 VanDerWaalsContact CG2-CE2 3.48Å; V61-F228 HydrophobicContact CG2-CZ 3.66Å |
| 62 | T | 95.9 | Very high | 94.3 | Very high | 12 Ų | 12 | 46.6 Ų | 46.6 | 7% | 0.074 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124.5 | 170.4 | -54 | 0 | 0 | 0 | 0 | 108.8 | S64 L80 W81 S192 | T62-S64 PolarHBondContact O-N 3.42Å; T62-L80 WeakPolarHBondContact O-CA 3.5Å; T62-W81 PolarHBondContact N-O 3.01Å; T62-W81 PolarHBondContact O-N 3.4Å; T62-S192 WeakPolarHBondContact CA-O 3.37Å |
| 63 | L | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 117.8 | 174 | 177.1 | 64.5 | 0 | 0 | 0 | 108.9 | L78 L80 S192 L193 F196 V204 M207 L230 | L63-L78 HydrophobicContact CD1-CB 4.36Å; L63-L78 HydrophobicContact CD1-CD1 4.24Å; L63-L78 HydrophobicContact CD1-CD2 4.08Å; L63-L78 HydrophobicContact CD1-CG 4.46Å; L63-L80 HydrophobicContact CB-CD2 4.31Å; L63-L80 HydrophobicContact CD1-CD2 3.59Å; L63-S192 PolarHBondContact N-O 2.82Å; L63-L193 HydrophobicContact CB-CD2 3.82Å; L63-L193 HydrophobicContact CD2-CD2 3.89Å; L63-L193 HydrophobicContact CG-CD2 4.43Å; L63-F196 HydrophobicContact CD2-CD2 3.76Å; L63-F196 HydrophobicContact CD2-CE2 3.83Å; L63-F196 HydrophobicContact CG-CD2 3.77Å; L63-F196 HydrophobicContact CG-CE2 4.15Å; L63-V204 HydrophobicContact CD2-CG1 4.49Å; L63-V204 HydrophobicContact CD2-CG2 4.33Å; L63-M207 HydrophobicContact CB-SD 4.27Å; L63-L230 HydrophobicContact CD2-CD1 3.73Å |
| 64 | S | 94.8 | Very high | 94.4 | Very high | 18 Ų | 18 | 43.6 Ų | 43.6 | 13% | 0.126 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -48.4 | 177.3 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | T62 Y79 F196 V197 | T62-S64 PolarHBondContact O-N 3.42Å; S64-Y79 PolarHBondContact N-O 3.46Å; S64-Y79 WeakPolarHBondContact OG-CD1 3.49Å; S64-F196 WeakPolarHBondContact O-CA 3.42Å; S64-V197 PolarHBondContact O-N 3.47Å |
| 65 | Q | 95.3 | Very high | 94.4 | Very high | 79 Ų | 79 | 41.8 Ų | 41.8 | 37% | 0.369 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 153.1 | 174.9 | 56.6 | 176.5 | 7.2 | 0 | 0 | 112 | I67 Y79 V197 | Q65-I67 HydrophobicContact CG-CG1 4.27Å; Q65-Y79 HydrophobicContact CG-CD1 4.29Å; Q65-Y79 HydrophobicContact CG-CG 4.31Å; Q65-Y79 PolarHBondContact N-O 2.85Å; Q65-Y79 PolarHBondContact O-N 2.92Å; Q65-V197 HydrophobicContact CB-CB 4.48Å |
| 66 | I | 96.4 | Very high | 94.4 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 114.3 | 164.2 | -59.4 | 167.1 | 0 | 0 | 0 | 106.2 | L76 L78 F196 N199 W202 V204 L230 L232 | I66-L76 HydrophobicContact CG2-CD1 4.24Å; I66-L78 HydrophobicContact CB-CD2 4.16Å; I66-L78 HydrophobicContact CG1-CD2 3.77Å; I66-L78 HydrophobicContact CG2-CD2 4.19Å; I66-F196 HydrophobicContact CD1-CE2 4.46Å; I66-F196 HydrophobicContact CD1-CZ 4.42Å; I66-F196 HydrophobicContact CG1-CE2 4.3Å; I66-N199 HydrophobicContact CB-CB 4.43Å; I66-N199 HydrophobicContact CD1-CB 4.36Å; I66-N199 PolarHBondContact O-ND2 3.37Å; I66-W202 HydrophobicContact CD1-CB 4.13Å; I66-V204 HydrophobicContact CD1-CG2 3.72Å; I66-L230 HydrophobicContact CD1-CD2 4.45Å; I66-L230 HydrophobicContact CG1-CD2 4.49Å; I66-L232 HydrophobicContact CD1-CD2 3.64Å |
| 67 | I | 93.9 | Very high | 94.4 | Very high | 72 Ų | 72 | 37.7 Ų | 37.7 | 37% | 0.369 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | -50.1 | -180 | -66.1 | 170.2 | 0 | 0 | 0 | 109.3 | Q65 T77 I149 | Q65-I67 HydrophobicContact CG-CG1 4.27Å; I67-T77 HydrophobicContact CB-CG2 3.9Å; I67-T77 HydrophobicContact CD1-CG2 4.06Å; I67-T77 HydrophobicContact CG2-CG2 4.07Å; I67-T77 PolarHBondContact N-O 3.42Å; I67-I149 HydrophobicContact CD1-CD1 4.35Å; I67-I149 HydrophobicContact CD1-CG1 4.04Å; I67-I149 HydrophobicContact CD1-CG2 3.92Å |
| 68 | D | 93.6 | Very high | 94.3 | Very high | 79 Ų | 79 | 37.7 Ų | 37.7 | 42% | 0.422 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 146.3 | -173.5 | -171.3 | 31.7 | 0 | 0 | 0 | 111.2 | T77 | D68-T77 PolarHBondContact N-O 3.18Å; D68-T77 PolarHBondContact O-N 2.87Å |
| 69 | M | 92.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 38.9 Ų | 38.9 | 3% | 0.034 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 103.7 | 168.3 | 178.5 | 72 | 86.3 | 0 | 0 | 106.7 | E71 L76 V156 W202 L232 | M69-E71 HydrophobicContact CG-CG 4.12Å; M69-E71 PolarHBondContact O-N 3.27Å; M69-E71 VanDerWaalsContact O-OE2 3.06Å; M69-L76 HydrophobicContact CB-CD1 4.5Å; M69-L76 HydrophobicContact CE-CB 4.35Å; M69-L76 HydrophobicContact CE-CD1 3.66Å; M69-L76 HydrophobicContact CE-CD2 4.44Å; M69-L76 HydrophobicContact CE-CG 4.35Å; M69-L76 HydrophobicContact SD-CB 3.94Å; M69-L76 HydrophobicContact SD-CD1 3.9Å; M69-L76 HydrophobicContact SD-CG 4.46Å; M69-V156 HydrophobicContact SD-CG2 4.37Å; M69-W202 HydrophobicContact CB-CZ2 4.45Å; M69-W202 HydrophobicContact CG-CZ2 4.05Å; M69-L232 HydrophobicContact CE-CD1 3.44Å; M69-L232 VanDerWaalsContact CE-CD1 3.44Å |
| 70 | D | 92.7 | Very high | 94 | Very high | 46 Ų | 46 | 38.9 Ų | 38.9 | 25% | 0.246 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 92.1 | 175 | -174.7 | -25.1 | 0 | 0 | 0 | 108 | R72 N73 Q74 V75 | D70-R72 VanDerWaalsContact C-N 3.26Å; D70-R72 PolarHBondContact O-N 2.69Å; D70-R72 PolarHBondContact OD1-N 3.42Å; D70-N73 PolarHBondContact OD1-N 2.94Å; D70-N73 PolarHBondContact OD1-ND2 3.34Å; D70-N73 PolarHBondContact OD2-ND2 2.91Å; D70-Q74 WeakPolarHBondContact O-CA 3.38Å; D70-Q74 PolarHBondContact O-N 2.87Å; D70-V75 HydrophobicContact CB-CB 4.39Å; D70-V75 PolarHBondContact N-O 2.85Å; D70-V75 PolarHBondContact O-N 3.48Å |
| 71 | E | 89.8 | Confident | 93.9 | Very high | 29 Ų | 29 | 41.4 Ų | 41.4 | 14% | 0.136 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -35.5 | -178.6 | -62.6 | 95.6 | 154.4 | 0 | 0 | 111.7 | M69 Q74 V156 R234 P290 | M69-E71 HydrophobicContact CG-CG 4.12Å; M69-E71 PolarHBondContact O-N 3.27Å; M69-E71 VanDerWaalsContact O-OE2 3.06Å; E71-Q74 PolarHBondContact O-N 3.4Å; E71-V156 HydrophobicContact CB-CG1 4.44Å; E71-V156 HydrophobicContact CG-CG1 4.07Å; E71-V156 HydrophobicContact CG-CG2 4.42Å; E71-R234 IonicContact OE1-CZ 3.96Å; E71-R234 VanDerWaalsContact OE1-CZ 3.25Å; E71-R234 IonicContact OE1-NH1 3.6Å; E71-R234 PolarHBondContact OE1-NH1 2.85Å; E71-R234 IonicContact OE1-NH2 3.12Å; E71-R234 PolarHBondContact OE1-NH2 3.01Å; E71-P290 WeakPolarHBondContact O-CB 3.39Å; E71-P290 VanDerWaalsContact O-CD 3.26Å; E71-P290 WeakPolarHBondContact O-CD 3.47Å; E71-P290 WeakPolarHBondContact O-CG 3.38Å |
| 72 | R | 88.8 | Confident | 93.8 | Very high | 150 Ų | 150 | 42.2 Ų | 42.2 | 57% | 0.566 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -45.8 | -177.5 | -175.9 | -177.3 | -178.2 | -142.4 | 0.3 | 111.9 | D70 | D70-R72 VanDerWaalsContact C-N 3.26Å; D70-R72 PolarHBondContact O-N 2.69Å; D70-R72 PolarHBondContact OD1-N 3.42Å |
| 73 | N | 90.1 | Very high | 93.8 | Very high | 102 Ų | 102 | 45.1 Ų | 45.1 | 55% | 0.545 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -2.6 | 177.8 | -63.3 | -50 | 0 | 0 | 0 | 113 | D70 V75 | D70-N73 PolarHBondContact OD1-N 2.94Å; D70-N73 PolarHBondContact OD1-ND2 3.34Å; D70-N73 PolarHBondContact OD2-ND2 2.91Å; N73-V75 HydrophobicContact CB-CG2 4.18Å; N73-V75 WeakPolarHBondContact O-CG2 3.35Å; N73-V75 PolarHBondContact O-N 3.3Å |
| 74 | Q | 92.6 | Very high | 93.7 | Very high | 75 Ų | 75 | 45.7 Ų | 45.7 | 35% | 0.35 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 44.4 | -178.7 | -60.3 | -175.3 | -35.2 | 0 | 0 | 112.6 | D70 E71 S153 C154 P290 | D70-Q74 WeakPolarHBondContact O-CA 3.38Å; D70-Q74 PolarHBondContact O-N 2.87Å; E71-Q74 PolarHBondContact O-N 3.4Å; Q74-S153 WeakPolarHBondContact O-CA 3.39Å; Q74-C154 CarbonylContact C-O 3.51Å; Q74-C154 WeakPolarHBondContact CB-O 3.48Å; Q74-C154 PolarHBondContact O-N 3.42Å; Q74-P290 HydrophobicContact CG-CB 4.21Å |
| 75 | V | 94.2 | Very high | 93.9 | Very high | 21 Ų | 21 | 46.1 Ų | 46.1 | 13% | 0.127 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 123.7 | -177.5 | -179 | 0 | 0 | 0 | 0 | 111.1 | D70 N73 A122 R151 S152 | D70-V75 HydrophobicContact CB-CB 4.39Å; D70-V75 PolarHBondContact N-O 2.85Å; D70-V75 PolarHBondContact O-N 3.48Å; N73-V75 HydrophobicContact CB-CG2 4.18Å; N73-V75 WeakPolarHBondContact O-CG2 3.35Å; N73-V75 PolarHBondContact O-N 3.3Å; V75-A122 HydrophobicContact CB-CB 4.45Å; V75-A122 HydrophobicContact CG1-CB 3.92Å; V75-A122 HydrophobicContact CG2-CB 3.72Å; V75-R151 HydrophobicContact CG1-CB 4.17Å; V75-S152 WeakPolarHBondContact CA-O 3.4Å |
| 76 | L | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 125.5 | 172.2 | 175.2 | 62 | 0 | 0 | 0 | 110.2 | I66 M69 L78 R151 S152 C154 C168 L230 | I66-L76 HydrophobicContact CG2-CD1 4.24Å; M69-L76 HydrophobicContact CB-CD1 4.5Å; M69-L76 HydrophobicContact CE-CB 4.35Å; M69-L76 HydrophobicContact CE-CD1 3.66Å; M69-L76 HydrophobicContact CE-CD2 4.44Å; M69-L76 HydrophobicContact CE-CG 4.35Å; M69-L76 HydrophobicContact SD-CB 3.94Å; M69-L76 HydrophobicContact SD-CD1 3.9Å; M69-L76 HydrophobicContact SD-CG 4.46Å; L76-L78 HydrophobicContact CD1-CD2 3.68Å; L76-L78 HydrophobicContact CD1-CG 4.22Å; L76-L78 HydrophobicContact CD2-CD1 3.94Å; L76-L78 HydrophobicContact CD2-CD2 4.06Å; L76-L78 HydrophobicContact CD2-CG 4.02Å; L76-L78 HydrophobicContact CG-CD1 4.33Å; L76-L78 HydrophobicContact CG-CD2 3.87Å; L76-L78 HydrophobicContact CG-CG 3.85Å; L76-R151 WeakPolarHBondContact O-CA 3.28Å; L76-S152 PolarHBondContact N-O 2.99Å; L76-S152 PolarHBondContact O-N 3.41Å; L76-S152 PolarHBondContact O-OG 2.86Å; L76-C154 HydrophobicContact CB-CB 4.18Å; L76-C168 HydrophobicContact CD2-CB 3.48Å; L76-C168 VanDerWaalsContact CD2-CB 3.48Å; L76-L230 HydrophobicContact CD2-CD2 3.95Å |
| 77 | T | 95.1 | Very high | 94 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 115.2 | 176.5 | -51.3 | 0 | 0 | 0 | 0 | 110.8 | I67 D68 I149 T150 R151 | I67-T77 HydrophobicContact CB-CG2 3.9Å; I67-T77 HydrophobicContact CD1-CG2 4.06Å; I67-T77 HydrophobicContact CG2-CG2 4.07Å; I67-T77 PolarHBondContact N-O 3.42Å; D68-T77 PolarHBondContact N-O 3.18Å; D68-T77 PolarHBondContact O-N 2.87Å; T77-I149 HydrophobicContact CG2-CG2 3.83Å; T77-T150 CarbonylContact C-O 3.6Å; T77-T150 VanDerWaalsContact CA-O 3.31Å; T77-T150 WeakPolarHBondContact CA-O 3.46Å; T77-R151 HydrophobicContact CG2-CG 3.68Å; T77-R151 PolarHBondContact OG1-NE 3.45Å |
| 78 | L | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 147.2 | -179.3 | -57.3 | 179.2 | 0 | 0 | 0 | 111.7 | L63 I66 L76 L80 I149 T150 L170 L230 | L63-L78 HydrophobicContact CD1-CB 4.36Å; L63-L78 HydrophobicContact CD1-CD1 4.24Å; L63-L78 HydrophobicContact CD1-CD2 4.08Å; L63-L78 HydrophobicContact CD1-CG 4.46Å; I66-L78 HydrophobicContact CB-CD2 4.16Å; I66-L78 HydrophobicContact CG1-CD2 3.77Å; I66-L78 HydrophobicContact CG2-CD2 4.19Å; L76-L78 HydrophobicContact CD1-CD2 3.68Å; L76-L78 HydrophobicContact CD1-CG 4.22Å; L76-L78 HydrophobicContact CD2-CD1 3.94Å; L76-L78 HydrophobicContact CD2-CD2 4.06Å; L76-L78 HydrophobicContact CD2-CG 4.02Å; L76-L78 HydrophobicContact CG-CD1 4.33Å; L76-L78 HydrophobicContact CG-CD2 3.87Å; L76-L78 HydrophobicContact CG-CG 3.85Å; L78-L80 HydrophobicContact CB-CD1 4.48Å; L78-L80 HydrophobicContact CB-CD2 3.9Å; L78-L80 HydrophobicContact CB-CG 3.97Å; L78-L80 HydrophobicContact CD1-CD2 4.09Å; L78-I149 CarbonylContact O-C 3.55Å; L78-I149 WeakPolarHBondContact O-CA 3.39Å; L78-T150 PolarHBondContact N-O 3.03Å; L78-T150 PolarHBondContact O-N 3.33Å; L78-T150 PolarHBondContact O-OG1 3.26Å; L78-L170 HydrophobicContact CD1-CD1 3.77Å; L78-L170 HydrophobicContact CD1-CD2 3.94Å; L78-L170 HydrophobicContact CD1-CG 4.5Å; L78-L230 HydrophobicContact CD1-CD2 4.04Å; L78-L230 HydrophobicContact CD2-CD2 3.96Å |
| 79 | Y | 94.3 | Very high | 94.2 | Very high | 62 Ų | 62 | 40 Ų | 40 | 24% | 0.243 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 114.8 | 162.7 | -169 | -118.3 | 0 | 0 | 0 | 109.5 | S64 Q65 W81 P147 I149 | S64-Y79 PolarHBondContact N-O 3.46Å; S64-Y79 WeakPolarHBondContact OG-CD1 3.49Å; Q65-Y79 HydrophobicContact CG-CD1 4.29Å; Q65-Y79 HydrophobicContact CG-CG 4.31Å; Q65-Y79 PolarHBondContact N-O 2.85Å; Q65-Y79 PolarHBondContact O-N 2.92Å; Y79-W81 AromaticContact CE1-NE1 3.94Å; Y79-P147 HydrophobicContact CE2-CB 4.06Å; Y79-P147 VanDerWaalsContact OH-CB 3.28Å; Y79-P147 WeakPolarHBondContact OH-CB 3.45Å; Y79-I149 HydrophobicContact CD2-CG1 3.66Å; Y79-I149 HydrophobicContact CE2-CG1 4.22Å |
| 80 | L | 94.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 146.7 | -175.2 | -56.4 | 179.7 | 0 | 0 | 0 | 110.3 | V61 T62 L63 L78 I82 P147 A148 T150 L170 F172 | V61-L80 HydrophobicContact CG1-CB 4.38Å; V61-L80 HydrophobicContact CG1-CD1 4.11Å; V61-L80 HydrophobicContact CG1-CD2 4.15Å; V61-L80 HydrophobicContact CG1-CG 4.45Å; T62-L80 WeakPolarHBondContact O-CA 3.5Å; L63-L80 HydrophobicContact CB-CD2 4.31Å; L63-L80 HydrophobicContact CD1-CD2 3.59Å; L78-L80 HydrophobicContact CB-CD1 4.48Å; L78-L80 HydrophobicContact CB-CD2 3.9Å; L78-L80 HydrophobicContact CB-CG 3.97Å; L78-L80 HydrophobicContact CD1-CD2 4.09Å; L80-I82 HydrophobicContact CB-CG1 4.22Å; L80-P147 CarbonylContact O-C 3.59Å; L80-P147 WeakPolarHBondContact O-CA 3.48Å; L80-A148 PolarHBondContact N-O 3.27Å; L80-A148 PolarHBondContact O-N 3.05Å; L80-T150 HydrophobicContact CD1-CG2 3.99Å; L80-T150 WeakPolarHBondContact CD1-OG1 3.44Å; L80-L170 HydrophobicContact CD1-CD2 4.12Å; L80-F172 HydrophobicContact CD1-CZ 4.28Å |
| 81 | W | 93.8 | Very high | 94.4 | Very high | 101 Ų | 101 | 44.1 Ų | 44.1 | 38% | 0.383 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 118.3 | 160 | -61.6 | 69 | 0 | 0 | 0 | 107.4 | V61 T62 Y79 | V61-W81 WeakPolarHBondContact CA-O 3.23Å; T62-W81 PolarHBondContact N-O 3.01Å; T62-W81 PolarHBondContact O-N 3.4Å; Y79-W81 AromaticContact CE1-NE1 3.94Å |
| 82 | I | 94.3 | Very high | 94.6 | Very high | 17 Ų | 17 | 47.7 Ų | 47.7 | 9% | 0.087 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 109.6 | -179.4 | -55.7 | 178.1 | 0 | 0 | 0 | 107 | L59 L80 Q84 A146 A148 T150 F172 | L59-I82 HydrophobicContact CD1-CG2 3.71Å; L80-I82 HydrophobicContact CB-CG1 4.22Å; I82-Q84 HydrophobicContact CG2-CG 4.26Å; I82-A146 PolarHBondContact N-O 3.22Å; I82-A146 PolarHBondContact O-N 2.91Å; I82-A148 HydrophobicContact CD1-CB 3.75Å; I82-A148 HydrophobicContact CG1-CB 4.31Å; I82-T150 HydrophobicContact CD1-CG2 4.49Å; I82-F172 HydrophobicContact CD1-CE1 3.88Å; I82-F172 HydrophobicContact CD1-CZ 4.23Å |
| 83 | R | 95.1 | Very high | 94.9 | Very high | 74 Ų | 74 | 41.5 Ų | 41.5 | 28% | 0.279 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 126 | 175.9 | -178.7 | -179.1 | -63.7 | 152.1 | 1.3 | 110 | E60 R143 W144 D145 | E60-R83 HydrophobicContact CB-CB 4.17Å; E60-R83 PolarHBondContact N-O 2.9Å; E60-R83 PolarHBondContact O-N 2.85Å; E60-R83 IonicContact OE1-NH1 3Å; E60-R83 WeakPolarHBondContact OE2-CD 3.48Å; E60-R83 IonicContact OE2-CZ 3.39Å; E60-R83 IonicContact OE2-NH1 2.8Å; E60-R83 PolarHBondContact OE2-NH1 3.5Å; R83-R143 HydrophobicContact CG-CG 3.98Å; R83-W144 CarbonylContact C-O 3.51Å; R83-W144 WeakPolarHBondContact CA-O 3.27Å; R83-D145 IonicContact CZ-OD2 2.99Å; R83-D145 VanDerWaalsContact CZ-OD2 3.31Å; R83-D145 IonicContact NE-OD2 2.99Å; R83-D145 PolarHBondContact NE-OD2 3.39Å; R83-D145 IonicContact NH2-OD2 3.64Å; R83-D145 PolarHBondContact NH2-OD2 2.98Å |
| 84 | Q | 96.2 | Very high | 95.2 | Very high | 11 Ų | 11 | 40.8 Ų | 40.8 | 5% | 0.051 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 132.2 | 177.8 | -61.7 | 175 | 66.7 | 0 | 0 | 108.1 | T58 L59 I82 W86 I116 R143 W144 | T58-Q84 WeakPolarHBondContact O-CA 3.36Å; L59-Q84 HydrophobicContact CD1-CG 3.96Å; I82-Q84 HydrophobicContact CG2-CG 4.26Å; Q84-W86 HydrophobicContact CB-CE3 4.27Å; Q84-W86 HydrophobicContact CB-CZ3 4Å; Q84-I116 VanDerWaalsContact OE1-CG1 3.27Å; Q84-R143 WeakPolarHBondContact O-CA 3.47Å; Q84-W144 PolarHBondContact N-O 3.31Å; Q84-W144 PolarHBondContact O-N 3.45Å |
| 85 | E | 97.4 | Very high | 95.3 | Very high | 28 Ų | 28 | 38.3 Ų | 38.3 | 13% | 0.131 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 125.2 | 177.3 | -169.2 | 171.8 | 91.1 | 0 | 0 | 109.6 | T58 T141 V142 R143 R187 | T58-E85 PolarHBondContact N-O 3.43Å; T58-E85 PolarHBondContact O-N 3.2Å; E85-T141 HydrophobicContact CG-CG2 3.71Å; E85-V142 WeakPolarHBondContact CA-O 3.16Å; E85-R143 IonicContact OE2-CZ 3.31Å; E85-R143 IonicContact OE2-NE 2.76Å; E85-R143 PolarHBondContact OE2-NE 3.39Å; E85-R143 IonicContact OE2-NH2 2.94Å; E85-R143 PolarHBondContact OE2-NH2 3.46Å; E85-R187 IonicContact OE1-CZ 3.35Å; E85-R187 VanDerWaalsContact OE1-CZ 3.26Å; E85-R187 IonicContact OE1-NH1 3.37Å; E85-R187 PolarHBondContact OE1-NH1 3.33Å; E85-R187 IonicContact OE1-NH2 3.68Å; E85-R187 PolarHBondContact OE1-NH2 2.94Å; E85-R187 IonicContact OE2-NH2 3.76Å; E85-R187 PolarHBondContact OE2-NH2 3.48Å |
| 86 | W | 97.2 | Very high | 95.3 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 1% | 0.011 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 167.3 | 176.7 | 68.6 | 96 | 0 | 0 | 0 | 109.6 | L55 V57 Q84 V111 W112 P114 V142 W144 | L55-W86 HydrophobicContact CD2-CB 4.48Å; V57-W86 HydrophobicContact CG2-CB 4.31Å; Q84-W86 HydrophobicContact CB-CE3 4.27Å; Q84-W86 HydrophobicContact CB-CZ3 4Å; W86-V111 HydrophobicContact CZ2-CG2 4.37Å; W86-W112 WeakPolarHBondContact CZ2-O 3.38Å; W86-W112 AromaticContact NE1-CE3 3.92Å; W86-P114 HydrophobicContact CE3-CG 4.14Å; W86-P114 HydrophobicContact CZ3-CG 4.33Å; W86-V142 HydrophobicContact CD2-CB 4.03Å; W86-V142 HydrophobicContact CD2-CG1 4.41Å; W86-V142 HydrophobicContact CH2-CB 4.29Å; W86-V142 HydrophobicContact CH2-CG1 3.61Å; W86-V142 HydrophobicContact CZ2-CB 3.76Å; W86-V142 HydrophobicContact CZ2-CG1 3.31Å; W86-V142 HydrophobicContact CZ2-CG2 4.38Å; W86-V142 HydrophobicContact CZ3-CG1 4.26Å; W86-V142 PolarHBondContact N-O 3.41Å; W86-V142 PolarHBondContact O-N 3.31Å; W86-W144 HydrophobicContact CH2-CB 3.86Å; W86-W144 HydrophobicContact CZ3-CB 3.77Å |
| 87 | T | 97 | Very high | 95.1 | Very high | 69 Ų | 69 | 46.8 Ų | 46.8 | 42% | 0.423 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 130.2 | 177.1 | -53.5 | 0 | 0 | 0 | 0 | 109.4 | L55 G140 | L55-T87 WeakPolarHBondContact CD1-O 3.41Å; T87-G140 CarbonylContact C-O 3.59Å; T87-G140 WeakPolarHBondContact CA-O 3.43Å |
| 88 | D | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -103.4 | 116.5 | 175 | -170.7 | -42.5 | 0 | 0 | 0 | 109.4 | Y41 P47 Y90 L91 G140 V142 | Y41-D88 VanDerWaalsContact CE2-OD2 3.29Å; Y41-D88 WeakPolarHBondContact CE2-OD2 3.39Å; Y41-D88 PolarHBondContact OH-OD2 2.93Å; P47-D88 HydrophobicContact CB-CB 3.91Å; P47-D88 VanDerWaalsContact CB-OD1 3.28Å; P47-D88 WeakPolarHBondContact CB-OD1 3.25Å; P47-D88 VanDerWaalsContact CB-OD2 3.23Å; P47-D88 WeakPolarHBondContact CB-OD2 3.32Å; P47-D88 HydrophobicContact CG-CB 4.2Å; D88-Y90 PolarHBondContact O-N 3.33Å; D88-Y90 PolarHBondContact OD1-N 2.91Å; D88-L91 HydrophobicContact CB-CB 4.12Å; D88-L91 HydrophobicContact CB-CD1 4.15Å; D88-L91 HydrophobicContact CB-CG 4.25Å; D88-L91 PolarHBondContact O-N 3.09Å; D88-L91 PolarHBondContact OD1-N 3.25Å; D88-L91 WeakPolarHBondContact OD2-CD1 3.47Å; D88-G140 PolarHBondContact N-O 2.84Å; D88-V142 HydrophobicContact CB-CG2 3.99Å | ||
| 89 | A | 94.5 | Very high | 94.7 | Very high | 37 Ų | 37 | 50 Ų | 50 | 31% | 0.306 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -20.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | P47 A49 | P47-A89 PolarHBondContact O-N 3.26Å; A49-A89 HydrophobicContact CB-CB 4.38Å |
| 90 | Y | 94.4 | Very high | 94.5 | Very high | 139 Ų | 139 | 49.5 Ų | 49.5 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -12.7 | -175.3 | -58.1 | -73.7 | 0 | 0 | 0 | 113.2 | P47 V48 D88 | P47-Y90 HydrophobicContact CB-CD2 4.34Å; V48-Y90 PolarHBondContact O-OH 3.39Å; V48-Y90 VanDerWaalsContact O-OH 3.05Å; D88-Y90 PolarHBondContact O-N 3.33Å; D88-Y90 PolarHBondContact OD1-N 2.91Å |
| 91 | L | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -106 | 52.3 | -175.6 | -63.7 | -179.3 | 0 | 0 | 0 | 112.5 | L37 F38 Y41 D88 V111 L136 G140 | L37-L91 HydrophobicContact CB-CD2 4.25Å; F38-L91 HydrophobicContact CE1-CD2 4.34Å; F38-L91 HydrophobicContact CE2-CD2 4.46Å; F38-L91 HydrophobicContact CZ-CD1 4.46Å; F38-L91 HydrophobicContact CZ-CD2 4.08Å; Y41-L91 HydrophobicContact CD2-CD1 4.45Å; Y41-L91 HydrophobicContact CD2-CD2 3.61Å; Y41-L91 HydrophobicContact CD2-CG 3.92Å; Y41-L91 HydrophobicContact CE2-CD1 3.78Å; Y41-L91 HydrophobicContact CE2-CD2 3.79Å; Y41-L91 HydrophobicContact CE2-CG 3.58Å; Y41-L91 HydrophobicContact CG-CD2 4.06Å; D88-L91 HydrophobicContact CB-CB 4.12Å; D88-L91 HydrophobicContact CB-CD1 4.15Å; D88-L91 HydrophobicContact CB-CG 4.25Å; D88-L91 PolarHBondContact O-N 3.09Å; D88-L91 PolarHBondContact OD1-N 3.25Å; D88-L91 WeakPolarHBondContact OD2-CD1 3.47Å; L91-V111 HydrophobicContact CD1-CG1 3.77Å; L91-L136 HydrophobicContact CB-CD1 3.77Å; L91-L136 HydrophobicContact CB-CD2 3.97Å; L91-L136 HydrophobicContact CD1-CD1 4.21Å; L91-L136 HydrophobicContact CD1-CD2 4.17Å; L91-G140 WeakPolarHBondContact O-CA 3.16Å |
| 92 | Q | 95.4 | Very high | 94.3 | Very high | 104 Ų | 104 | 49.5 Ų | 49.5 | 49% | 0.486 | 28% | 0.28 | S | S | . | . | trans | -115.8 | 147.1 | -179.4 | -59.1 | -177.4 | 14.3 | 0 | 0 | 111.2 | H138 | Q92-H138 WeakPolarHBondContact CA-O 3.39Š| ||
| 93 | W | 95.3 | Very high | 94.4 | Very high | 21 Ų | 21 | 50.6 Ų | 50.6 | 8% | 0.08 | 29% | 0.291 | C | S | . | . | trans | -150.5 | 160.6 | 174.3 | 68.9 | 93.9 | 0 | 0 | 0 | 111.9 | L33 L37 P95 Y98 L101 I104 L136 R137 H138 | L33-W93 HydrophobicContact CD1-CB 3.71Å; L33-W93 HydrophobicContact CD1-CD2 3.79Å; L33-W93 HydrophobicContact CD1-CE3 4.31Å; L33-W93 HydrophobicContact CD1-CG 3.5Å; L33-W93 HydrophobicContact CD2-CD2 3.92Å; L33-W93 HydrophobicContact CD2-CG 4.21Å; L33-W93 HydrophobicContact CD2-CZ2 4.01Å; L33-W93 HydrophobicContact CG-CD2 4.43Å; L37-W93 HydrophobicContact CD1-CE3 3.82Å; L37-W93 HydrophobicContact CD1-CZ3 4.06Å; L37-W93 HydrophobicContact CD2-CE3 4.27Å; W93-P95 WeakPolarHBondContact O-CD 3.2Å; W93-Y98 HydrophobicContact CB-CD2 4.23Å; W93-Y98 HydrophobicContact CB-CE2 4.06Å; W93-Y98 AromaticContact CD1-CD2 3.85Å; W93-Y98 HydrophobicContact CG-CD2 4.32Å; W93-L101 PolarHBondContact NE1-O 3.32Å; W93-I104 HydrophobicContact CH2-CG1 4.26Å; W93-L136 HydrophobicContact CH2-CD2 4.25Å; W93-L136 HydrophobicContact CH2-CG 3.97Å; W93-L136 HydrophobicContact CZ3-CD1 4.45Å; W93-L136 HydrophobicContact CZ3-CD2 3.73Å; W93-L136 HydrophobicContact CZ3-CG 3.71Å; W93-R137 WeakPolarHBondContact CH2-O 3.4Å; W93-R137 WeakPolarHBondContact CZ3-O 3.32Å; W93-H138 HydrophobicContact CD2-CB 3.99Å; W93-H138 HydrophobicContact CG-CB 4.39Å; W93-H138 HydrophobicContact CH2-CB 4.36Å; W93-H138 VanDerWaalsContact CH2-N 3.33Å; W93-H138 VanDerWaalsContact CZ2-CA 3.48Å; W93-H138 HydrophobicContact CZ2-CB 3.78Å; W93-H138 PolarHBondContact N-O 3.49Å | ||
| 94 | D | 95.9 | Very high | 94.3 | Very high | 86 Ų | 86 | 48 Ų | 48 | 46% | 0.46 | 28% | 0.283 | S | S | . | . | trans | -86.1 | 117 | 170.3 | 177.8 | 9.2 | 0 | 0 | 0 | 109.7 | N96 A97 | D94-N96 PolarHBondContact O-N 2.93Å; D94-N96 VanDerWaalsContact O-N 3.14Å; D94-N96 WeakPolarHBondContact OD1-CB 3.29Å; D94-N96 PolarHBondContact OD1-N 3.11Å; D94-N96 PolarHBondContact OD1-ND2 3.35Å; D94-A97 HydrophobicContact CB-CB 4.41Å; D94-A97 PolarHBondContact O-N 3.02Å; D94-A97 VanDerWaalsContact O-N 3.11Å | ||
| 95 | P | 94.5 | Very high | 94.3 | Very high | 24 Ų | 24 | 56.9 Ų | 56.9 | 16% | 0.156 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -53.9 | -33.5 | 177.6 | -27.2 | 35.7 | 0 | 0 | 0 | 113.1 | W93 A97 Y98 G99 G100 H138 | W93-P95 WeakPolarHBondContact O-CD 3.2Å; P95-A97 VanDerWaalsContact C-N 3.28Å; P95-A97 PolarHBondContact O-N 3.3Å; P95-Y98 CarbonylContact O-C 3.56Å; P95-Y98 PolarHBondContact O-N 2.96Å; P95-Y98 VanDerWaalsContact O-N 3.12Å; P95-G99 PolarHBondContact O-N 3.49Å; P95-G100 WeakPolarHBondContact O-CA 3.4Å; P95-G100 PolarHBondContact O-N 3.46Å; P95-H138 HydrophobicContact CG-CB 3.73Å |
| 96 | N | 93.2 | Very high | 94.1 | Very high | 137 Ų | 137 | 56 Ų | 56 | 73% | 0.733 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -65.1 | -32.7 | -177.8 | -59.9 | -57.6 | 0 | 0 | 0 | 112.3 | D94 Y98 | D94-N96 PolarHBondContact O-N 2.93Å; D94-N96 VanDerWaalsContact O-N 3.14Å; D94-N96 WeakPolarHBondContact OD1-CB 3.29Å; D94-N96 PolarHBondContact OD1-N 3.11Å; D94-N96 PolarHBondContact OD1-ND2 3.35Å; N96-Y98 PolarHBondContact O-N 3.3Å |
| 97 | A | 92.5 | Very high | 94 | Very high | 61 Ų | 61 | 58.8 Ų | 58.8 | 50% | 0.504 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -73 | -16.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D94 P95 | D94-A97 HydrophobicContact CB-CB 4.41Å; D94-A97 PolarHBondContact O-N 3.02Å; D94-A97 VanDerWaalsContact O-N 3.11Å; P95-A97 VanDerWaalsContact C-N 3.28Å; P95-A97 PolarHBondContact O-N 3.3Å |
| 98 | Y | 92.9 | Very high | 93.8 | Very high | 35 Ų | 35 | 55.7 Ų | 55.7 | 14% | 0.137 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -124.7 | 30.7 | -175.8 | -62.7 | -84.1 | 0 | 0 | 0 | 112.2 | K32 L33 D36 W93 P95 N96 G100 L101 | K32-Y98 HydrophobicContact CD-CE1 4.33Å; K32-Y98 HydrophobicContact CG-CE1 4.36Å; L33-Y98 HydrophobicContact CB-CD1 3.61Å; L33-Y98 HydrophobicContact CB-CE1 3.8Å; L33-Y98 HydrophobicContact CB-CG 4.15Å; L33-Y98 HydrophobicContact CD1-CD1 4.09Å; L33-Y98 HydrophobicContact CD1-CD2 3.86Å; L33-Y98 HydrophobicContact CD1-CE1 3.98Å; L33-Y98 HydrophobicContact CD1-CE2 3.75Å; L33-Y98 HydrophobicContact CD1-CG 4.03Å; L33-Y98 HydrophobicContact CG-CD1 4.38Å; L33-Y98 HydrophobicContact CG-CG 4.5Å; D36-Y98 PolarHBondContact OD2-OH 3.32Å; W93-Y98 HydrophobicContact CB-CD2 4.23Å; W93-Y98 HydrophobicContact CB-CE2 4.06Å; W93-Y98 AromaticContact CD1-CD2 3.85Å; W93-Y98 HydrophobicContact CG-CD2 4.32Å; P95-Y98 CarbonylContact O-C 3.56Å; P95-Y98 PolarHBondContact O-N 2.96Å; P95-Y98 VanDerWaalsContact O-N 3.12Å; N96-Y98 PolarHBondContact O-N 3.3Å; Y98-G100 PolarHBondContact O-N 2.99Å; Y98-L101 VanDerWaalsContact O-CD1 3.25Å; Y98-L101 WeakPolarHBondContact O-CD1 3.45Å |
| 99 | G | 88 | Confident | 93.5 | Very high | 42 Ų | 42 | 59.4 Ų | 59.4 | 43% | 0.433 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 33.3 | 172 | 0 | 0 | 0 | 0 | 0 | 114.5 | A25 P95 | A25-G99 WeakPolarHBondContact CB-O 3.24Å; P95-G99 PolarHBondContact O-N 3.49Å |
| 100 | G | 91.3 | Very high | 93.5 | Very high | 51 Ų | 51 | 60.8 Ų | 60.8 | 53% | 0.526 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 15.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | P95 Y98 D102 | P95-G100 WeakPolarHBondContact O-CA 3.4Å; P95-G100 PolarHBondContact O-N 3.46Å; Y98-G100 PolarHBondContact O-N 2.99Å; G100-D102 PolarHBondContact O-N 2.91Å |
| 101 | L | 91 | Very high | 93.5 | Very high | 22 Ų | 22 | 54.3 Ų | 54.3 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | trans | -64.3 | 105.3 | 175.6 | -98.5 | 145.2 | 0 | 0 | 0 | 110.6 | A25 L29 A30 W93 Y98 I104 | A25-L101 HydrophobicContact CB-CD1 3.48Å; A25-L101 VanDerWaalsContact CB-CD1 3.48Å; A25-L101 HydrophobicContact CB-CG 3.59Å; L29-L101 HydrophobicContact CB-CD1 4.13Å; A30-L101 HydrophobicContact CB-CD1 4Å; A30-L101 HydrophobicContact CB-CD2 4.3Å; W93-L101 PolarHBondContact NE1-O 3.32Å; Y98-L101 VanDerWaalsContact O-CD1 3.25Å; Y98-L101 WeakPolarHBondContact O-CD1 3.45Å; L101-I104 HydrophobicContact CD2-CG2 3.88Å | ||
| 102 | D | 93.3 | Very high | 93.6 | Very high | 79 Ų | 79 | 55.1 Ų | 55.1 | 42% | 0.422 | 32% | 0.318 | S | S | . | . | trans | -87.8 | -31.7 | 179.4 | -178.2 | 62.8 | 0 | 0 | 0 | 113 | G100 R137 H138 | G100-D102 PolarHBondContact O-N 2.91Å; D102-R137 CarbonylContact O-C 3.42Å; D102-R137 WeakPolarHBondContact O-CA 3.24Å; D102-H138 PolarHBondContact O-N 2.9Å; D102-H138 IonicContact OD1-CD2 3.58Å; D102-H138 PolarHBondContact OD1-CD2 2.89Å; D102-H138 IonicContact OD1-NE2 3.78Å | ||
| 103 | A | 95 | Very high | 93.5 | Very high | 39 Ų | 39 | 54.3 Ų | 54.3 | 32% | 0.322 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 149.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V135 L136 R137 | A103-V135 HydrophobicContact CB-CG1 4.28Å; A103-L136 CarbonylContact C-O 3.58Å; A103-L136 WeakPolarHBondContact CA-O 3.48Å; A103-L136 WeakPolarHBondContact CB-O 3.35Å; A103-R137 HydrophobicContact CB-CG 4.13Å |
| 104 | I | 94.4 | Very high | 93.4 | Very high | 19 Ų | 19 | 53.7 Ų | 53.7 | 10% | 0.097 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 155.9 | 172.4 | 64.7 | 174.2 | 0 | 0 | 0 | 111.1 | L33 L37 W93 L101 I106 L136 | L33-I104 HydrophobicContact CD2-CG2 3.9Å; L37-I104 HydrophobicContact CD1-CD1 4.16Å; W93-I104 HydrophobicContact CH2-CG1 4.26Å; L101-I104 HydrophobicContact CD2-CG2 3.88Å; I104-I106 HydrophobicContact CD1-CG2 4.09Å; I104-I106 HydrophobicContact CG1-CG2 4.35Å; I104-L136 HydrophobicContact CD1-CD2 4.02Å; I104-L136 HydrophobicContact CG1-CB 4.07Å; I104-L136 HydrophobicContact CG1-CD2 4.05Å; I104-L136 HydrophobicContact CG1-CG 4.41Å; I104-L136 PolarHBondContact N-O 3.5Å; I104-L136 PolarHBondContact O-N 3.03Å |
| 105 | R | 94.6 | Very high | 93.2 | Very high | 199 Ų | 199 | 51.3 Ų | 51.3 | 75% | 0.751 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 119.2 | 178 | -68.2 | 171.2 | -178.7 | 151.2 | -0.8 | 109.2 | V134 V135 | R105-V134 WeakPolarHBondContact CA-O 3.32Å; R105-V135 HydrophobicContact CG-CG2 4.28Å |
| 106 | I | 94.2 | Very high | 93.2 | Very high | 9 Ų | 9 | 51.5 Ų | 51.5 | 5% | 0.046 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 154.8 | -175.5 | 59.4 | 176.2 | 0 | 0 | 0 | 110.8 | F34 F38 I104 S108 V111 N133 V134 | F34-I106 HydrophobicContact CD2-CG2 3.95Å; F34-I106 HydrophobicContact CE2-CG2 3.94Å; F38-I106 HydrophobicContact CE1-CD1 4.47Å; F38-I106 HydrophobicContact CE2-CD1 3.81Å; F38-I106 HydrophobicContact CZ-CD1 3.38Å; I104-I106 HydrophobicContact CD1-CG2 4.09Å; I104-I106 HydrophobicContact CG1-CG2 4.35Å; I106-S108 PolarHBondContact O-N 3.42Å; I106-V111 HydrophobicContact CD1-CG1 3.57Å; I106-V111 HydrophobicContact CG1-CG1 4.46Å; I106-N133 CarbonylContact O-C 3.51Å; I106-N133 VanDerWaalsContact O-CA 3.25Å; I106-N133 WeakPolarHBondContact O-CA 3.46Å; I106-N133 WeakPolarHBondContact O-CB 3.4Å; I106-V134 HydrophobicContact CD1-CG2 4.25Å; I106-V134 HydrophobicContact CG1-CG2 3.54Å; I106-V134 PolarHBondContact N-O 3.25Å; I106-V134 VanDerWaalsContact N-O 3.16Å; I106-V134 WeakPolarHBondContact O-CG2 3.45Å; I106-V134 PolarHBondContact O-N 3.44Å |
| 107 | P | 94.3 | Very high | 93.1 | Very high | 61 Ų | 61 | 47.3 Ų | 47.3 | 40% | 0.396 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 134.9 | 173.5 | -26.2 | 34.1 | 0 | 0 | 0 | 112 | S109 L110 N133 | P107-S109 PolarHBondContact O-N 3.45Å; P107-S109 VanDerWaalsContact O-N 3.1Å; P107-L110 HydrophobicContact CB-CD1 4.46Å; P107-L110 HydrophobicContact CB-CG 4.38Å; P107-L110 HydrophobicContact CG-CD1 4.3Å; P107-L110 PolarHBondContact O-N 2.91Å; P107-L110 VanDerWaalsContact O-N 3.12Å; P107-N133 WeakPolarHBondContact CA-OD1 3.13Å |
| 108 | S | 92.8 | Very high | 93.2 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 4% | 0.035 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -62.5 | -18.6 | -178.9 | 61.2 | 0 | 0 | 0 | 0 | 114 | I106 L110 R113 T132 | I106-S108 PolarHBondContact O-N 3.42Å; S108-L110 VanDerWaalsContact C-N 3.28Å; S108-L110 PolarHBondContact O-N 2.9Å; S108-R113 VanDerWaalsContact O-CD 3.24Å; S108-R113 WeakPolarHBondContact O-CD 3.5Å; S108-R113 PolarHBondContact O-NE 2.94Å; S108-R113 PolarHBondContact OG-NH1 3.24Å; S108-T132 WeakPolarHBondContact CB-O 3.48Å; S108-T132 PolarHBondContact N-O 3.26Å; S108-T132 PolarHBondContact OG-O 3.47Å |
| 109 | S | 91.8 | Very high | 93.2 | Very high | 78 Ų | 78 | 46.9 Ų | 46.9 | 55% | 0.545 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -71.9 | -17.4 | 176.3 | 58.4 | 0 | 0 | 0 | 0 | 114.5 | P107 | P107-S109 PolarHBondContact O-N 3.45Å; P107-S109 VanDerWaalsContact O-N 3.1Å |
| 110 | L | 93.7 | Very high | 93.4 | Very high | 66 Ų | 66 | 46.5 Ų | 46.5 | 35% | 0.346 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -85.4 | -18.5 | -177.7 | -63.9 | 179.2 | 0 | 0 | 0 | 113.2 | F34 F38 Y41 P107 S108 | F34-L110 HydrophobicContact CE2-CD1 3.9Å; F34-L110 HydrophobicContact CZ-CD1 3.79Å; F38-L110 HydrophobicContact CE1-CB 4.19Å; F38-L110 WeakPolarHBondContact CE1-O 3.46Å; Y41-L110 WeakPolarHBondContact CE1-O 3.35Å; P107-L110 HydrophobicContact CB-CD1 4.46Å; P107-L110 HydrophobicContact CB-CG 4.38Å; P107-L110 HydrophobicContact CG-CD1 4.3Å; P107-L110 PolarHBondContact O-N 2.91Å; P107-L110 VanDerWaalsContact O-N 3.12Å; S108-L110 VanDerWaalsContact C-N 3.28Å; S108-L110 PolarHBondContact O-N 2.9Å |
| 111 | V | 95.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -107.5 | 155.7 | -179.8 | -62.2 | 0 | 0 | 0 | 0 | 110.7 | F38 W86 L91 I106 R113 V134 | F38-V111 HydrophobicContact CE1-CG1 4.36Å; F38-V111 HydrophobicContact CZ-CG1 4.12Å; W86-V111 HydrophobicContact CZ2-CG2 4.37Å; L91-V111 HydrophobicContact CD1-CG1 3.77Å; I106-V111 HydrophobicContact CD1-CG1 3.57Å; I106-V111 HydrophobicContact CG1-CG1 4.46Å; V111-R113 HydrophobicContact CG2-CG 4.45Å; V111-V134 HydrophobicContact CG1-CG2 4.41Å; V111-V134 HydrophobicContact CG2-CG1 4.2Å; V111-V134 HydrophobicContact CG2-CG2 3.94Å |
| 112 | W | 95.6 | Very high | 93.2 | Very high | 16 Ų | 16 | 48.9 Ų | 48.9 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | trans | -60 | 138.9 | 166.4 | 179.7 | 91.2 | 0 | 0 | 0 | 109.4 | Y41 S43 L45 R46 P47 L55 W86 P114 L182 | Y41-W112 PolarHBondContact OH-N 3.18Å; S43-W112 WeakPolarHBondContact O-CA 3.42Å; S43-W112 VanDerWaalsContact O-CD1 3.27Å; L45-W112 VanDerWaalsContact C-CD1 3.44Å; R46-W112 HydrophobicContact CB-CZ2 4.46Å; R46-W112 HydrophobicContact CG-CH2 4.1Å; R46-W112 HydrophobicContact CG-CZ2 3.7Å; P47-W112 VanDerWaalsContact CD-CE3 3.41Å; P47-W112 HydrophobicContact CG-CB 4.44Å; P47-W112 HydrophobicContact CG-CD2 4.19Å; P47-W112 HydrophobicContact CG-CE3 3.81Å; P47-W112 HydrophobicContact CG-CG 4.49Å; P47-W112 HydrophobicContact CG-CZ3 4.42Å; L55-W112 HydrophobicContact CD2-CE3 4.17Å; L55-W112 HydrophobicContact CD2-CH2 3.34Å; L55-W112 HydrophobicContact CD2-CZ2 4.39Å; L55-W112 HydrophobicContact CD2-CZ3 3.21Å; W86-W112 WeakPolarHBondContact CZ2-O 3.38Å; W86-W112 AromaticContact NE1-CE3 3.92Å; W112-P114 VanDerWaalsContact CH2-CA 3.48Å; W112-P114 HydrophobicContact CH2-CB 3.64Å; W112-P114 HydrophobicContact CZ3-CB 3.82Å; W112-P114 HydrophobicContact CZ3-CG 4.21Å; W112-L182 HydrophobicContact CH2-CD1 4.03Å | ||
| 113 | R | 93.6 | Very high | 92.6 | Very high | 88 Ų | 88 | 47.5 Ų | 47.5 | 33% | 0.332 | 25% | 0.246 | S | C | . | . | trans | -126.4 | 135.6 | 178.2 | -65.7 | 178.6 | -67 | -179.8 | 4.4 | 109.5 | S108 V111 | S108-R113 VanDerWaalsContact O-CD 3.24Å; S108-R113 WeakPolarHBondContact O-CD 3.5Å; S108-R113 PolarHBondContact O-NE 2.94Å; S108-R113 PolarHBondContact OG-NH1 3.24Å; V111-R113 HydrophobicContact CG2-CG 4.45Å | ||
| 114 | P | 94.3 | Very high | 91.1 | Very high | 7 Ų | 7 | 51 Ų | 51 | 5% | 0.045 | 28% | 0.275 | C | S | . | . | trans | -65.3 | 142.9 | 173 | 29.3 | -34.4 | 0 | 0 | 0 | 110 | V57 W86 W112 I116 L182 | V57-P114 HydrophobicContact CG1-CB 4.46Å; V57-P114 HydrophobicContact CG1-CG 4.1Å; V57-P114 HydrophobicContact CG2-CB 3.98Å; V57-P114 HydrophobicContact CG2-CG 4.23Å; W86-P114 HydrophobicContact CE3-CG 4.14Å; W86-P114 HydrophobicContact CZ3-CG 4.33Å; W112-P114 VanDerWaalsContact CH2-CA 3.48Å; W112-P114 HydrophobicContact CH2-CB 3.64Å; W112-P114 HydrophobicContact CZ3-CB 3.82Å; W112-P114 HydrophobicContact CZ3-CG 4.21Å; P114-I116 HydrophobicContact CB-CD1 4.29Å; P114-I116 HydrophobicContact CB-CG1 4.05Å; P114-I116 HydrophobicContact CG-CG1 4.23Å; P114-I116 PolarHBondContact O-N 2.83Å; P114-L182 HydrophobicContact CB-CD1 4Å | ||
| 115 | D | 92.1 | Very high | 89.6 | Confident | 37 Ų | 37 | 57.6 Ų | 57.6 | 20% | 0.198 | 31% | 0.305 | C | S | . | . | trans | -86.1 | 53.5 | -178.4 | 64.1 | -33.5 | 0 | 0 | 0 | 111.5 | V117 S174 W175 T176 H177 | D115-V117 PolarHBondContact O-N 2.91Å; D115-S174 VanDerWaalsContact CG-OG 3.31Å; D115-S174 WeakPolarHBondContact O-CA 3.29Å; D115-S174 PolarHBondContact OD1-OG 2.86Å; D115-S174 PolarHBondContact OD2-OG 2.84Å; D115-W175 PolarHBondContact O-N 3.34Å; D115-W175 PolarHBondContact OD2-N 3.07Å; D115-T176 WeakPolarHBondContact OD2-CB 3.28Å; D115-T176 PolarHBondContact OD2-N 3.49Å; D115-T176 PolarHBondContact OD2-OG1 2.95Å; D115-H177 IonicContact OD1-CE1 2.93Å; D115-H177 IonicContact OD1-ND1 2.73Å; D115-H177 PolarHBondContact OD1-ND1 2.92Å; D115-H177 IonicContact OD2-ND1 2.75Å | ||
| 116 | I | 93.4 | Very high | 87.8 | Confident | 28 Ų | 28 | 58.9 Ų | 58.9 | 14% | 0.144 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 119.5 | 178.1 | -54 | -55.7 | 0 | 0 | 0 | 109.6 | V57 Q84 P114 F172 G173 L182 V184 | V57-I116 HydrophobicContact CG1-CG1 4.46Å; Q84-I116 VanDerWaalsContact OE1-CG1 3.27Å; P114-I116 HydrophobicContact CB-CD1 4.29Å; P114-I116 HydrophobicContact CB-CG1 4.05Å; P114-I116 HydrophobicContact CG-CG1 4.23Å; P114-I116 PolarHBondContact O-N 2.83Å; I116-F172 HydrophobicContact CG2-CB 4.02Å; I116-F172 HydrophobicContact CG2-CD1 4.33Å; I116-G173 WeakPolarHBondContact CA-O 3.39Å; I116-L182 HydrophobicContact CD1-CD2 4.34Å; I116-V184 HydrophobicContact CD1-CG2 3.62Å |
| 117 | V | 92.1 | Very high | 86 | Confident | 49 Ų | 49 | 63.3 Ų | 63.3 | 30% | 0.297 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 155 | -179.1 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | D115 Y119 F172 G173 W175 | D115-V117 PolarHBondContact O-N 2.91Å; V117-Y119 HydrophobicContact CG2-CD1 3.77Å; V117-Y119 HydrophobicContact CG2-CE1 3.67Å; V117-F172 WeakPolarHBondContact O-CA 3.32Å; V117-G173 PolarHBondContact N-O 3.42Å; V117-G173 PolarHBondContact O-N 3.28Å; V117-G173 VanDerWaalsContact O-N 3.12Å; V117-W175 HydrophobicContact CG1-CB 4.33Å; V117-W175 HydrophobicContact CG2-CB 3.9Å; V117-W175 HydrophobicContact CG2-CD2 4.32Å; V117-W175 HydrophobicContact CG2-CE3 3.72Å; V117-W175 HydrophobicContact CG2-CG 4.44Å |
| 118 | L | 93.5 | Very high | 84.3 | Confident | 25 Ų | 25 | 64.2 Ų | 64.2 | 13% | 0.131 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 115.1 | 169.2 | 178.1 | 69.6 | 0 | 0 | 0 | 108.8 | N120 K121 L170 T171 F172 | L118-N120 WeakPolarHBondContact CD1-OD1 3.27Å; L118-K121 HydrophobicContact CD2-CB 4.27Å; L118-K121 HydrophobicContact CG-CB 4.4Å; L118-L170 HydrophobicContact CD1-CB 3.97Å; L118-L170 HydrophobicContact CD1-CD2 4.36Å; L118-T171 WeakPolarHBondContact CA-O 3.37Å; L118-F172 HydrophobicContact CB-CD1 4.41Å; L118-F172 HydrophobicContact CB-CE1 4.17Å; L118-F172 HydrophobicContact CD1-CE1 4.22Å; L118-F172 HydrophobicContact CD1-CE2 4.35Å; L118-F172 HydrophobicContact CD1-CZ 4.12Å |
| 119 | Y | 92.4 | Very high | 82.6 | Confident | 61 Ų | 61 | 67.9 Ų | 67.9 | 24% | 0.239 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -44.2 | -176.4 | -67.2 | -20.4 | 0 | 0 | 0 | 112.9 | V117 K121 T171 S174 W175 D225 | V117-Y119 HydrophobicContact CG2-CD1 3.77Å; V117-Y119 HydrophobicContact CG2-CE1 3.67Å; Y119-K121 PolarHBondContact O-N 3.37Å; Y119-K121 VanDerWaalsContact O-N 3.08Å; Y119-T171 HydrophobicContact CD2-CG2 3.7Å; Y119-T171 HydrophobicContact CE2-CG2 4.34Å; Y119-T171 HydrophobicContact CG-CG2 4.46Å; Y119-T171 PolarHBondContact N-O 3.47Å; Y119-S174 PolarHBondContact OH-O 3.24Å; Y119-W175 HydrophobicContact CD1-CE3 4.18Å; Y119-W175 HydrophobicContact CD1-CZ3 4.19Å; Y119-W175 HydrophobicContact CE1-CE3 4.01Å; Y119-W175 HydrophobicContact CE1-CZ3 4.39Å; Y119-D225 HydrophobicContact CE2-CB 4.06Å |
| 120 | N | 93.6 | Very high | 81.3 | Confident | 34 Ų | 34 | 65.1 Ų | 65.1 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 45.2 | -179.1 | 65.7 | -53.2 | 0 | 0 | 0 | 112.2 | L118 S152 S153 G169 T171 | L118-N120 WeakPolarHBondContact CD1-OD1 3.27Å; N120-S152 CarbonylContact O-C 3.58Å; N120-S152 VanDerWaalsContact O-CA 3.23Å; N120-S152 WeakPolarHBondContact O-CA 3.49Å; N120-S153 PolarHBondContact ND2-O 3.24Å; N120-S153 VanDerWaalsContact ND2-O 3.15Å; N120-S153 PolarHBondContact O-N 3.26Å; N120-S153 PolarHBondContact O-OG 3.42Å; N120-G169 PolarHBondContact ND2-O 3.4Å; N120-T171 PolarHBondContact OD1-N 2.86Å; N120-T171 VanDerWaalsContact OD1-N 3.13Å |
| 121 | K | 91 | Very high | 80.3 | Confident | 79 Ų | 79 | 67.3 Ų | 67.3 | 34% | 0.343 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -77.1 | 132.4 | 179.2 | -173.8 | -177.5 | 176.1 | -167.5 | 0 | 111 | L118 Y119 D123 Q125 R151 | L118-K121 HydrophobicContact CD2-CB 4.27Å; L118-K121 HydrophobicContact CG-CB 4.4Å; Y119-K121 PolarHBondContact O-N 3.37Å; Y119-K121 VanDerWaalsContact O-N 3.08Å; K121-D123 VanDerWaalsContact CE-O 3.25Å; K121-D123 WeakPolarHBondContact CE-O 3.47Å; K121-Q125 PolarHBondContact NZ-O 2.98Å; K121-R151 WeakPolarHBondContact CA-O 3.49Å |
| 122 | A | 87.2 | Confident | 80.1 | Confident | 44 Ų | 44 | 69.1 Ų | 69.1 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | trans | -92.5 | -19.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V75 R151 | V75-A122 HydrophobicContact CB-CB 4.45Å; V75-A122 HydrophobicContact CG1-CB 3.92Å; V75-A122 HydrophobicContact CG2-CB 3.72Å; A122-R151 PolarHBondContact N-O 3Å | ||
| 123 | D | 79.2 | Confident | 80 | Confident | 51 Ų | 51 | 72.7 Ų | 72.7 | 27% | 0.273 | 42% | 0.419 | S | S | . | . | trans | -92.5 | 132.5 | -177.4 | -90 | 22.3 | 0 | 0 | 0 | 113.3 | K121 Q125 R151 | K121-D123 VanDerWaalsContact CE-O 3.25Å; K121-D123 WeakPolarHBondContact CE-O 3.47Å; D123-Q125 VanDerWaalsContact C-N 3.29Å; D123-Q125 PolarHBondContact O-N 3.1Å; D123-R151 HydrophobicContact CB-CB 4.4Å; D123-R151 IonicContact OD1-CZ 2.76Å; D123-R151 IonicContact OD1-NE 2.7Å; D123-R151 IonicContact OD1-NH1 3.7Å; D123-R151 PolarHBondContact OD1-NH1 2.87Å; D123-R151 VanDerWaalsContact OD2-CD 3.22Å; D123-R151 WeakPolarHBondContact OD2-CD 3.04Å; D123-R151 IonicContact OD2-CZ 3.18Å; D123-R151 IonicContact OD2-NE 3.44Å; D123-R151 IonicContact OD2-NH1 2.75Å; D123-R151 PolarHBondContact OD2-NH1 3.16Å | ||
| 124 | A | 63.2 | Low | 80.1 | Confident | 113 Ų | 113 | 68.5 Ų | 68.5 | 93% | 0.934 | 40% | 0.404 | S | S | * | . | trans | -74.1 | -15.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 125 | Q | 63.8 | Low | 80.2 | Confident | 157 Ų | 157 | 70.1 Ų | 70.1 | 73% | 0.734 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -73.4 | 135.9 | -178.1 | -166.7 | 143.9 | 14.2 | 0 | 0 | 110.8 | K121 D123 | K121-Q125 PolarHBondContact NZ-O 2.98Å; D123-Q125 VanDerWaalsContact C-N 3.29Å; D123-Q125 PolarHBondContact O-N 3.1Å |
| 126 | R | 56.5 | Low | 80.4 | Confident | 226 Ų | 226 | 68.3 Ų | 68.3 | 85% | 0.853 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 136.4 | 176.8 | -78.7 | -177.5 | 175.2 | 105.3 | -0.2 | 109.6 | G128 | R126-G128 PolarHBondContact O-N 2.83Å; R126-G128 VanDerWaalsContact O-N 3.15Å |
| 127 | P | 57.5 | Low | 80.6 | Confident | 102 Ų | 102 | 71.3 Ų | 71.3 | 66% | 0.662 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 126 | 177.8 | 22.5 | -30 | 0 | 0 | 0 | 108.7 | S129 | P127-S129 PolarHBondContact O-N 3.18Š|
| 128 | G | 57.9 | Low | 80.8 | Confident | 79 Ų | 79 | 72 Ų | 72 | 81% | 0.814 | 41% | 0.413 | S | S | * | . | trans | -60.4 | 108.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | R126 A130 | R126-G128 PolarHBondContact O-N 2.83Å; R126-G128 VanDerWaalsContact O-N 3.15Å; G128-A130 PolarHBondContact O-N 2.99Å | ||
| 129 | S | 57.3 | Low | 81 | Confident | 82 Ų | 82 | 74.2 Ų | 74.2 | 57% | 0.573 | 43% | 0.425 | S | S | * | . | trans | -62.6 | 109.8 | 174.6 | 162.2 | 0 | 0 | 0 | 0 | 107.7 | P127 S131 | P127-S129 PolarHBondContact O-N 3.18Å; S129-S131 PolarHBondContact O-N 2.94Å | ||
| 130 | A | 64.4 | Low | 81.1 | Confident | 21 Ų | 21 | 71.3 Ų | 71.3 | 17% | 0.174 | 41% | 0.413 | C | S | . | . | trans | -57.6 | 112.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | G128 T132 A146 | G128-A130 PolarHBondContact O-N 2.99Å; A130-T132 HydrophobicContact CB-CG2 4.39Å; A130-T132 PolarHBondContact O-N 3.22Å; A130-A146 HydrophobicContact CB-CB 3.73Å | ||
| 131 | S | 72.1 | Confident | 81.3 | Confident | 111 Ų | 111 | 70.6 Ų | 70.6 | 78% | 0.776 | 41% | 0.41 | S | S | * | . | trans | -81.4 | 43.7 | 178 | 64.3 | 0 | 0 | 0 | 0 | 110.9 | S129 | S129-S131 PolarHBondContact O-N 2.94Š| ||
| 132 | T | 90.5 | Very high | 81.6 | Confident | 41 Ų | 41 | 66.8 Ų | 66.8 | 25% | 0.252 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 157.2 | 176.9 | 58 | 0 | 0 | 0 | 0 | 110.3 | S108 A130 W144 D145 | S108-T132 WeakPolarHBondContact CB-O 3.48Å; S108-T132 PolarHBondContact N-O 3.26Å; S108-T132 PolarHBondContact OG-O 3.47Å; A130-T132 HydrophobicContact CB-CG2 4.39Å; A130-T132 PolarHBondContact O-N 3.22Å; T132-W144 PolarHBondContact OG1-NE1 2.89Å; T132-D145 PolarHBondContact OG1-O 2.91Å |
| 133 | N | 94.4 | Very high | 82.1 | Confident | 91 Ų | 91 | 67.4 Ų | 67.4 | 49% | 0.487 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 150.2 | 174.3 | -68.2 | -16.8 | 0 | 0 | 0 | 110.3 | I106 P107 | I106-N133 CarbonylContact O-C 3.51Å; I106-N133 VanDerWaalsContact O-CA 3.25Å; I106-N133 WeakPolarHBondContact O-CA 3.46Å; I106-N133 WeakPolarHBondContact O-CB 3.4Å; P107-N133 WeakPolarHBondContact CA-OD1 3.13Å |
| 134 | V | 95.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 153 | 167.5 | -62 | 0 | 0 | 0 | 0 | 110.2 | R105 I106 V111 V142 R143 W144 | R105-V134 WeakPolarHBondContact CA-O 3.32Å; I106-V134 HydrophobicContact CD1-CG2 4.25Å; I106-V134 HydrophobicContact CG1-CG2 3.54Å; I106-V134 PolarHBondContact N-O 3.25Å; I106-V134 VanDerWaalsContact N-O 3.16Å; I106-V134 WeakPolarHBondContact O-CG2 3.45Å; I106-V134 PolarHBondContact O-N 3.44Å; V111-V134 HydrophobicContact CG1-CG2 4.41Å; V111-V134 HydrophobicContact CG2-CG1 4.2Å; V111-V134 HydrophobicContact CG2-CG2 3.94Å; V134-V142 HydrophobicContact CB-CG1 3.95Å; V134-V142 HydrophobicContact CG1-CG1 4.22Å; V134-V142 HydrophobicContact CG2-CG1 4.22Å; V134-R143 WeakPolarHBondContact CA-O 3.44Å; V134-W144 HydrophobicContact CG1-CB 3.7Å; V134-W144 HydrophobicContact CG1-CG 3.73Å |
| 135 | V | 96.9 | Very high | 84.3 | Confident | 41 Ų | 41 | 62.6 Ų | 62.6 | 25% | 0.248 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 113.1 | 167.3 | -175.5 | 0 | 0 | 0 | 0 | 107.1 | A103 R105 R143 | A103-V135 HydrophobicContact CB-CG1 4.28Å; R105-V135 HydrophobicContact CG-CG2 4.28Å; V135-R143 PolarHBondContact N-O 3.05Å; V135-R143 PolarHBondContact O-N 3.35Å |
| 136 | L | 96.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 130.2 | 174.6 | 172.6 | 69.7 | 0 | 0 | 0 | 108.4 | L37 L91 W93 A103 I104 V142 | L37-L136 HydrophobicContact CD1-CD2 4.2Å; L91-L136 HydrophobicContact CB-CD1 3.77Å; L91-L136 HydrophobicContact CB-CD2 3.97Å; L91-L136 HydrophobicContact CD1-CD1 4.21Å; L91-L136 HydrophobicContact CD1-CD2 4.17Å; W93-L136 HydrophobicContact CH2-CD2 4.25Å; W93-L136 HydrophobicContact CH2-CG 3.97Å; W93-L136 HydrophobicContact CZ3-CD1 4.45Å; W93-L136 HydrophobicContact CZ3-CD2 3.73Å; W93-L136 HydrophobicContact CZ3-CG 3.71Å; A103-L136 CarbonylContact C-O 3.58Å; A103-L136 WeakPolarHBondContact CA-O 3.48Å; A103-L136 WeakPolarHBondContact CB-O 3.35Å; I104-L136 HydrophobicContact CD1-CD2 4.02Å; I104-L136 HydrophobicContact CG1-CB 4.07Å; I104-L136 HydrophobicContact CG1-CD2 4.05Å; I104-L136 HydrophobicContact CG1-CG 4.41Å; I104-L136 PolarHBondContact N-O 3.5Å; I104-L136 PolarHBondContact O-N 3.03Å; L136-V142 HydrophobicContact CD1-CG2 3.62Å |
| 137 | R | 97.4 | Very high | 87.3 | Confident | 91 Ų | 91 | 46.7 Ų | 46.7 | 34% | 0.343 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 161.2 | 175.5 | -77.7 | -174.6 | 167.3 | 148.2 | -2.4 | 112.2 | W93 D102 A103 D139 G140 T141 | W93-R137 WeakPolarHBondContact CH2-O 3.4Å; W93-R137 WeakPolarHBondContact CZ3-O 3.32Å; D102-R137 CarbonylContact O-C 3.42Å; D102-R137 WeakPolarHBondContact O-CA 3.24Å; A103-R137 HydrophobicContact CB-CG 4.13Å; R137-D139 WeakPolarHBondContact CB-OD1 3.01Å; R137-D139 PolarHBondContact O-N 3.45Å; R137-G140 PolarHBondContact O-N 3.32Å; R137-T141 PolarHBondContact N-O 3.2Å |
| 138 | H | 96.4 | Very high | 88.8 | Confident | 64 Ų | 64 | 43 Ų | 43 | 30% | 0.296 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -27 | -175.2 | 80.6 | 91.2 | 0 | 0 | 0 | 114.2 | Q92 W93 P95 D102 G140 | Q92-H138 WeakPolarHBondContact CA-O 3.39Å; W93-H138 HydrophobicContact CD2-CB 3.99Å; W93-H138 HydrophobicContact CG-CB 4.39Å; W93-H138 HydrophobicContact CH2-CB 4.36Å; W93-H138 VanDerWaalsContact CH2-N 3.33Å; W93-H138 VanDerWaalsContact CZ2-CA 3.48Å; W93-H138 HydrophobicContact CZ2-CB 3.78Å; W93-H138 PolarHBondContact N-O 3.49Å; P95-H138 HydrophobicContact CG-CB 3.73Å; D102-H138 PolarHBondContact O-N 2.9Å; D102-H138 IonicContact OD1-CD2 3.58Å; D102-H138 PolarHBondContact OD1-CD2 2.89Å; D102-H138 IonicContact OD1-NE2 3.78Å; H138-G140 PolarHBondContact O-N 2.95Å |
| 139 | D | 96.3 | Very high | 90.5 | Very high | 70 Ų | 70 | 44.7 Ų | 44.7 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 0.2 | 176.4 | 67.7 | -22.8 | 0 | 0 | 0 | 113.4 | R137 T141 | R137-D139 WeakPolarHBondContact CB-OD1 3.01Å; R137-D139 PolarHBondContact O-N 3.45Å; D139-T141 VanDerWaalsContact C-N 3.31Å; D139-T141 VanDerWaalsContact CG-OG1 3.24Å; D139-T141 VanDerWaalsContact OD1-CB 3.24Å; D139-T141 WeakPolarHBondContact OD1-CB 3.49Å; D139-T141 PolarHBondContact OD1-N 3.45Å; D139-T141 PolarHBondContact OD1-OG1 3.06Å; D139-T141 PolarHBondContact OD2-OG1 3.19Å |
| 140 | G | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 84.2 | 2.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T87 D88 L91 R137 H138 V142 | T87-G140 CarbonylContact C-O 3.59Å; T87-G140 WeakPolarHBondContact CA-O 3.43Å; D88-G140 PolarHBondContact N-O 2.84Å; L91-G140 WeakPolarHBondContact O-CA 3.16Å; R137-G140 PolarHBondContact O-N 3.32Å; H138-G140 PolarHBondContact O-N 2.95Å; G140-V142 PolarHBondContact O-N 3.38Å |
| 141 | T | 97.4 | Very high | 93.5 | Very high | 19 Ų | 19 | 45 Ų | 45 | 12% | 0.117 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 118.5 | 175.3 | -62.6 | 0 | 0 | 0 | 0 | 109.9 | E85 R137 D139 | E85-T141 HydrophobicContact CG-CG2 3.71Å; R137-T141 PolarHBondContact N-O 3.2Å; D139-T141 VanDerWaalsContact C-N 3.31Å; D139-T141 VanDerWaalsContact CG-OG1 3.24Å; D139-T141 VanDerWaalsContact OD1-CB 3.24Å; D139-T141 WeakPolarHBondContact OD1-CB 3.49Å; D139-T141 PolarHBondContact OD1-N 3.45Å; D139-T141 PolarHBondContact OD1-OG1 3.06Å; D139-T141 PolarHBondContact OD2-OG1 3.19Å |
| 142 | V | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 124 | 174.8 | -172 | 0 | 0 | 0 | 0 | 108.9 | E85 W86 D88 V134 L136 G140 | E85-V142 WeakPolarHBondContact CA-O 3.16Å; W86-V142 HydrophobicContact CD2-CB 4.03Å; W86-V142 HydrophobicContact CD2-CG1 4.41Å; W86-V142 HydrophobicContact CH2-CB 4.29Å; W86-V142 HydrophobicContact CH2-CG1 3.61Å; W86-V142 HydrophobicContact CZ2-CB 3.76Å; W86-V142 HydrophobicContact CZ2-CG1 3.31Å; W86-V142 HydrophobicContact CZ2-CG2 4.38Å; W86-V142 HydrophobicContact CZ3-CG1 4.26Å; W86-V142 PolarHBondContact N-O 3.41Å; W86-V142 PolarHBondContact O-N 3.31Å; D88-V142 HydrophobicContact CB-CG2 3.99Å; V134-V142 HydrophobicContact CB-CG1 3.95Å; V134-V142 HydrophobicContact CG1-CG1 4.22Å; V134-V142 HydrophobicContact CG2-CG1 4.22Å; L136-V142 HydrophobicContact CD1-CG2 3.62Å; G140-V142 PolarHBondContact O-N 3.38Å |
| 143 | R | 96.9 | Very high | 94.8 | Very high | 57 Ų | 57 | 40.5 Ų | 40.5 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.6 | 171.2 | -174.6 | -176.5 | -60.8 | 121.8 | 13.1 | 110 | R83 Q84 E85 V134 V135 | R83-R143 HydrophobicContact CG-CG 3.98Å; Q84-R143 WeakPolarHBondContact O-CA 3.47Å; E85-R143 IonicContact OE2-CZ 3.31Å; E85-R143 IonicContact OE2-NE 2.76Å; E85-R143 PolarHBondContact OE2-NE 3.39Å; E85-R143 IonicContact OE2-NH2 2.94Å; E85-R143 PolarHBondContact OE2-NH2 3.46Å; V134-R143 WeakPolarHBondContact CA-O 3.44Å; V135-R143 PolarHBondContact N-O 3.05Å; V135-R143 PolarHBondContact O-N 3.35Å |
| 144 | W | 95.6 | Very high | 94.7 | Very high | 24 Ų | 24 | 36.2 Ų | 36.2 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 116.7 | 173.3 | -172.4 | 29.3 | 0 | 0 | 0 | 110 | R83 Q84 W86 T132 V134 A146 | R83-W144 CarbonylContact C-O 3.51Å; R83-W144 WeakPolarHBondContact CA-O 3.27Å; Q84-W144 PolarHBondContact N-O 3.31Å; Q84-W144 PolarHBondContact O-N 3.45Å; W86-W144 HydrophobicContact CH2-CB 3.86Å; W86-W144 HydrophobicContact CZ3-CB 3.77Å; T132-W144 PolarHBondContact OG1-NE1 2.89Å; V134-W144 HydrophobicContact CG1-CB 3.7Å; V134-W144 HydrophobicContact CG1-CG 3.73Å; W144-A146 HydrophobicContact CZ2-CB 4.15Å |
| 145 | D | 92.6 | Very high | 94.6 | Very high | 39 Ų | 39 | 41 Ų | 41 | 21% | 0.209 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 120.4 | 175.4 | -155.2 | -28.2 | 0 | 0 | 0 | 108.6 | R83 T132 | R83-D145 IonicContact CZ-OD2 2.99Å; R83-D145 VanDerWaalsContact CZ-OD2 3.31Å; R83-D145 IonicContact NE-OD2 2.99Å; R83-D145 PolarHBondContact NE-OD2 3.39Å; R83-D145 IonicContact NH2-OD2 3.64Å; R83-D145 PolarHBondContact NH2-OD2 2.98Å; T132-D145 PolarHBondContact OG1-O 2.91Å |
| 146 | A | 91.9 | Very high | 94.3 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 120.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I82 A130 W144 | I82-A146 PolarHBondContact N-O 3.22Å; I82-A146 PolarHBondContact O-N 2.91Å; A130-A146 HydrophobicContact CB-CB 3.73Å; W144-A146 HydrophobicContact CZ2-CB 4.15Å |
| 147 | P | 92.4 | Very high | 94 | Very high | 41 Ų | 41 | 44 Ų | 44 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 136.2 | 168.3 | 29.8 | -32.4 | 0 | 0 | 0 | 109.8 | Y79 L80 | Y79-P147 HydrophobicContact CE2-CB 4.06Å; Y79-P147 VanDerWaalsContact OH-CB 3.28Å; Y79-P147 WeakPolarHBondContact OH-CB 3.45Å; L80-P147 CarbonylContact O-C 3.59Å; L80-P147 WeakPolarHBondContact O-CA 3.48Å |
| 148 | A | 90 | Very high | 93.6 | Very high | 26 Ų | 26 | 39.8 Ų | 39.8 | 22% | 0.215 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 130.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111 | L80 I82 T150 | L80-A148 PolarHBondContact N-O 3.27Å; L80-A148 PolarHBondContact O-N 3.05Å; I82-A148 HydrophobicContact CD1-CB 3.75Å; I82-A148 HydrophobicContact CG1-CB 4.31Å; A148-T150 HydrophobicContact CB-CG2 4.21Å |
| 149 | I | 91.9 | Very high | 93.2 | Very high | 114 Ų | 114 | 38.5 Ų | 38.5 | 59% | 0.585 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 115.4 | 162.3 | -62.4 | 169.6 | 0 | 0 | 0 | 106.7 | I67 T77 L78 Y79 | I67-I149 HydrophobicContact CD1-CD1 4.35Å; I67-I149 HydrophobicContact CD1-CG1 4.04Å; I67-I149 HydrophobicContact CD1-CG2 3.92Å; T77-I149 HydrophobicContact CG2-CG2 3.83Å; L78-I149 CarbonylContact O-C 3.55Å; L78-I149 WeakPolarHBondContact O-CA 3.39Å; Y79-I149 HydrophobicContact CD2-CG1 3.66Å; Y79-I149 HydrophobicContact CE2-CG1 4.22Å |
| 150 | T | 91.9 | Very high | 92.8 | Very high | 13 Ų | 13 | 37.4 Ų | 37.4 | 8% | 0.08 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 133.7 | -178.9 | 57.7 | 0 | 0 | 0 | 0 | 109.9 | T77 L78 L80 I82 A148 | T77-T150 CarbonylContact C-O 3.6Å; T77-T150 VanDerWaalsContact CA-O 3.31Å; T77-T150 WeakPolarHBondContact CA-O 3.46Å; L78-T150 PolarHBondContact N-O 3.03Å; L78-T150 PolarHBondContact O-N 3.33Å; L78-T150 PolarHBondContact O-OG1 3.26Å; L80-T150 HydrophobicContact CD1-CG2 3.99Å; L80-T150 WeakPolarHBondContact CD1-OG1 3.44Å; I82-T150 HydrophobicContact CD1-CG2 4.49Å; A148-T150 HydrophobicContact CB-CG2 4.21Å |
| 151 | R | 93.4 | Very high | 92.4 | Very high | 97 Ų | 97 | 38 Ų | 38 | 37% | 0.366 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 109.1 | 175.2 | -70.2 | 175.8 | 90.2 | -168.9 | 14.9 | 108 | V75 L76 T77 K121 A122 D123 | V75-R151 HydrophobicContact CG1-CB 4.17Å; L76-R151 WeakPolarHBondContact O-CA 3.28Å; T77-R151 HydrophobicContact CG2-CG 3.68Å; T77-R151 PolarHBondContact OG1-NE 3.45Å; K121-R151 WeakPolarHBondContact CA-O 3.49Å; A122-R151 PolarHBondContact N-O 3Å; D123-R151 HydrophobicContact CB-CB 4.4Å; D123-R151 IonicContact OD1-CZ 2.76Å; D123-R151 IonicContact OD1-NE 2.7Å; D123-R151 IonicContact OD1-NH1 3.7Å; D123-R151 PolarHBondContact OD1-NH1 2.87Å; D123-R151 VanDerWaalsContact OD2-CD 3.22Å; D123-R151 WeakPolarHBondContact OD2-CD 3.04Å; D123-R151 IonicContact OD2-CZ 3.18Å; D123-R151 IonicContact OD2-NE 3.44Å; D123-R151 IonicContact OD2-NH1 2.75Å; D123-R151 PolarHBondContact OD2-NH1 3.16Å |
| 152 | S | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 143.7 | -170.7 | 60.9 | 0 | 0 | 0 | 0 | 110.7 | V75 L76 N120 C154 | V75-S152 WeakPolarHBondContact CA-O 3.4Å; L76-S152 PolarHBondContact N-O 2.99Å; L76-S152 PolarHBondContact O-N 3.41Å; L76-S152 PolarHBondContact O-OG 2.86Å; N120-S152 CarbonylContact O-C 3.58Å; N120-S152 VanDerWaalsContact O-CA 3.23Å; N120-S152 WeakPolarHBondContact O-CA 3.49Å; S152-C154 PolarHBondContact O-N 3.28Å |
| 153 | S | 94.5 | Very high | 91.7 | Very high | 57 Ų | 57 | 40.7 Ų | 40.7 | 40% | 0.399 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 127 | 169.4 | 54.8 | 0 | 0 | 0 | 0 | 109.4 | Q74 N120 | Q74-S153 WeakPolarHBondContact O-CA 3.39Å; N120-S153 PolarHBondContact ND2-O 3.24Å; N120-S153 VanDerWaalsContact ND2-O 3.15Å; N120-S153 PolarHBondContact O-N 3.26Å; N120-S153 PolarHBondContact O-OG 3.42Å |
| 154 | C | 94.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | trans | -135.2 | 111.3 | 175.5 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | Q74 L76 S152 V156 C168 | Q74-C154 CarbonylContact C-O 3.51Å; Q74-C154 WeakPolarHBondContact CB-O 3.48Å; Q74-C154 PolarHBondContact O-N 3.42Å; L76-C154 HydrophobicContact CB-CB 4.18Å; S152-C154 PolarHBondContact O-N 3.28Å; C154-V156 PolarHBondContact O-N 3.36Å; C154-C168 HydrophobicContact CB-CB 3.69Å; C154-C168 WeakPolarHBondContact CB-SG 3.38Å; C154-C168 WeakPolarHBondContact SG-CA 3.43Å; C154-C168 WeakPolarHBondContact SG-CB 3.06Å; C154-C168 CovalentContact SG-SG 2.03Å; C154-C168 PolarHBondContact SG-SG 3.45Å | ||
| 155 | P | 91.8 | Very high | 91.3 | Very high | 99 Ų | 99 | 40 Ų | 40 | 64% | 0.643 | 24% | 0.241 | S | C | * | . | trans | -67.1 | 124 | 173.7 | 28.1 | -32.2 | 0 | 0 | 0 | 109.6 | ||||
| 156 | V | 91.1 | Very high | 91.5 | Very high | 11 Ų | 11 | 38.4 Ų | 38.4 | 7% | 0.067 | 23% | 0.232 | C | C | . | . | trans | -100.1 | 130.4 | -177.9 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | M69 E71 C154 V158 Q166 | M69-V156 HydrophobicContact SD-CG2 4.37Å; E71-V156 HydrophobicContact CB-CG1 4.44Å; E71-V156 HydrophobicContact CG-CG1 4.07Å; E71-V156 HydrophobicContact CG-CG2 4.42Å; C154-V156 PolarHBondContact O-N 3.36Å; V156-V158 HydrophobicContact CG1-CG1 3.97Å; V156-Q166 VanDerWaalsContact CG1-CD 3.43Å; V156-Q166 HydrophobicContact CG1-CG 4.15Å | ||
| 157 | D | 89.8 | Confident | 91.7 | Very high | 94 Ų | 94 | 47.5 Ų | 47.5 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | trans | -94.5 | 109.9 | 172.1 | -178.3 | 2.3 | 0 | 0 | 0 | 110.6 | A159 Q166 | D157-A159 VanDerWaalsContact OD1-CB 3.24Å; D157-A159 WeakPolarHBondContact OD1-CB 3.47Å; D157-A159 PolarHBondContact OD1-N 3.14Å; D157-Q166 PolarHBondContact O-NE2 2.97Å | ||
| 158 | V | 89.3 | Confident | 91.9 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | trans | -97.9 | 7.7 | -177.1 | -64.7 | 0 | 0 | 0 | 0 | 113.7 | V156 A160 F161 P290 A292 P296 | V156-V158 HydrophobicContact CG1-CG1 3.97Å; V158-A160 VanDerWaalsContact C-N 3.26Å; V158-A160 PolarHBondContact O-N 2.89Å; V158-F161 WeakPolarHBondContact O-CB 3.34Å; V158-F161 PolarHBondContact O-N 3.42Å; V158-P290 HydrophobicContact CG1-CG 4.27Å; V158-A292 HydrophobicContact CG2-CB 3.54Å; V158-P296 HydrophobicContact CB-CG 4.25Å; V158-P296 HydrophobicContact CG2-CG 3.9Å; V158-P296 WeakPolarHBondContact O-CA 3.47Å; V158-P296 WeakPolarHBondContact O-CB 3.25Å | ||
| 159 | A | 88 | Confident | 92.2 | Very high | 37 Ų | 37 | 45.4 Ų | 45.4 | 31% | 0.306 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -39.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | D157 L297 | D157-A159 VanDerWaalsContact OD1-CB 3.24Å; D157-A159 WeakPolarHBondContact OD1-CB 3.47Å; D157-A159 PolarHBondContact OD1-N 3.14Å; A159-L297 WeakPolarHBondContact O-CB 3.45Å; A159-L297 PolarHBondContact O-N 3.04Å |
| 160 | A | 88.3 | Confident | 92.4 | Very high | 48 Ų | 48 | 40 Ų | 40 | 40% | 0.397 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 13.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V158 F163 | V158-A160 VanDerWaalsContact C-N 3.26Å; V158-A160 PolarHBondContact O-N 2.89Å; A160-F163 CarbonylContact O-C 3.58Å; A160-F163 WeakPolarHBondContact O-CA 3.44Å; A160-F163 PolarHBondContact O-N 2.92Å |
| 161 | F | 88.3 | Confident | 92.6 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 5% | 0.053 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 137.7 | -179.1 | -179.3 | -82.4 | 0 | 0 | 0 | 112 | V158 Y239 L285 M289 I298 | V158-F161 WeakPolarHBondContact O-CB 3.34Å; V158-F161 PolarHBondContact O-N 3.42Å; F161-Y239 HydrophobicContact CE1-CD1 4.27Å; F161-Y239 HydrophobicContact CE2-CD1 4.4Å; F161-Y239 HydrophobicContact CE2-CE1 4.28Å; F161-Y239 AromaticContact CZ-CD1 3.56Å; F161-Y239 HydrophobicContact CZ-CD1 3.56Å; F161-Y239 AromaticContact CZ-CE1 3.78Å; F161-Y239 HydrophobicContact CZ-CE1 3.78Å; F161-Y239 HydrophobicContact CZ-CG 4.22Å; F161-L285 HydrophobicContact CE1-CD1 4.17Å; F161-M289 HydrophobicContact CB-CE 4.13Å; F161-M289 HydrophobicContact CD1-CE 3.16Å; F161-M289 HydrophobicContact CD2-CE 3.68Å; F161-M289 HydrophobicContact CE1-CE 3.25Å; F161-M289 HydrophobicContact CE2-CE 3.75Å; F161-M289 HydrophobicContact CG-CE 3.37Å; F161-M289 HydrophobicContact CZ-CE 3.53Å; F161-I298 HydrophobicContact CD1-CG2 3.75Å; F161-I298 HydrophobicContact CE1-CG2 4.42Å |
| 162 | P | 89.9 | Confident | 92.7 | Very high | 11 Ų | 11 | 36.2 Ų | 36.2 | 7% | 0.071 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91.4 | 13.9 | 2.6 | 36.3 | -37.5 | 0 | 0 | 0 | 115.4 | D164 R234 A236 Y239 | P162-D164 VanDerWaalsContact C-N 3.29Å; P162-D164 VanDerWaalsContact C-OD1 3.32Å; P162-R234 WeakPolarHBondContact O-CD 3.3Å; P162-A236 HydrophobicContact CB-CB 4.12Å; P162-A236 HydrophobicContact CG-CB 4.07Å; P162-A236 WeakPolarHBondContact O-CB 3.24Å; P162-Y239 HydrophobicContact CB-CD2 4.26Å; P162-Y239 HydrophobicContact CB-CG 4.01Å |
| 163 | F | 89.8 | Confident | 92.7 | Very high | 64 Ų | 64 | 36.2 Ų | 36.2 | 28% | 0.281 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -97.2 | 26.2 | -178.9 | -52.4 | -76.5 | 0 | 0 | 0 | 112.3 | A160 A236 V240 A449 | A160-F163 CarbonylContact O-C 3.58Å; A160-F163 WeakPolarHBondContact O-CA 3.44Å; A160-F163 PolarHBondContact O-N 2.92Å; F163-A236 HydrophobicContact CD1-CB 3.58Å; F163-A236 HydrophobicContact CE1-CB 3.33Å; F163-A236 HydrophobicContact CG-CB 4.46Å; F163-A236 HydrophobicContact CZ-CB 4.02Å; F163-V240 HydrophobicContact CE1-CG2 4.26Å; F163-V240 HydrophobicContact CZ-CG2 3.69Å; F163-A449 HydrophobicContact CE1-CB 4.1Å; F163-A449 WeakPolarHBondContact CE1-O 3.47Å; F163-A449 VanDerWaalsContact CE2-CA 3.4Å; F163-A449 HydrophobicContact CE2-CB 3.48Å; F163-A449 VanDerWaalsContact CE2-CB 3.48Å; F163-A449 HydrophobicContact CZ-CB 3.2Å; F163-A449 WeakPolarHBondContact CZ-O 3.44Å |
| 164 | D | 91 | Very high | 92.7 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | trans | -77.4 | 157.6 | -173.3 | 56.3 | -53.7 | 0 | 0 | 0 | 113 | P162 Q166 H233 R234 | P162-D164 VanDerWaalsContact C-N 3.29Å; P162-D164 VanDerWaalsContact C-OD1 3.32Å; D164-Q166 PolarHBondContact OD2-NE2 2.8Å; D164-H233 PolarHBondContact O-ND1 3.36Å; D164-R234 PolarHBondContact O-N 3Å; D164-R234 WeakPolarHBondContact OD1-CD 3.32Å; D164-R234 IonicContact OD1-CZ 3.02Å; D164-R234 IonicContact OD1-NE 3.89Å; D164-R234 PolarHBondContact OD1-NE 3.49Å; D164-R234 IonicContact OD1-NH2 3.26Å; D164-R234 IonicContact OD2-CZ 3.59Å; D164-R234 IonicContact OD2-NE 2.83Å; D164-R234 PolarHBondContact OD2-NE 3.11Å; D164-R234 IonicContact OD2-NH2 3.84Å; D164-R234 PolarHBondContact OD2-NH2 3.28Å; D164-R234 VanDerWaalsContact OD2-NH2 3.12Å | ||
| 165 | A | 93.3 | Very high | 92.6 | Very high | 63 Ų | 63 | 41.9 Ų | 41.9 | 52% | 0.521 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 133.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | L232 | A165-L232 CarbonylContact C-O 3.52Å; A165-L232 VanDerWaalsContact CA-O 3.25Å; A165-L232 WeakPolarHBondContact CA-O 3.19Å |
| 166 | Q | 95.1 | Very high | 92.5 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.028 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 149.8 | -174.4 | -54.2 | -56.3 | -25.5 | 0 | 0 | 111.4 | V156 D157 D164 W202 L232 | V156-Q166 VanDerWaalsContact CG1-CD 3.43Å; V156-Q166 HydrophobicContact CG1-CG 4.15Å; D157-Q166 PolarHBondContact O-NE2 2.97Å; D164-Q166 PolarHBondContact OD2-NE2 2.8Å; Q166-W202 HydrophobicContact CB-CH2 4.48Å; Q166-W202 HydrophobicContact CB-CZ3 4.35Å; Q166-W202 HydrophobicContact CG-CH2 3.5Å; Q166-W202 HydrophobicContact CG-CZ3 3.68Å; Q166-L232 HydrophobicContact CB-CB 4.25Å; Q166-L232 PolarHBondContact N-O 3.48Å; Q166-L232 PolarHBondContact O-N 3.39Å |
| 167 | R | 96.2 | Very high | 92.5 | Very high | 198 Ų | 198 | 42.2 Ų | 42.2 | 75% | 0.747 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 98.3 | 179.5 | -64.4 | -175.9 | 173 | 172.9 | -1.6 | 109.4 | T229 L231 | R167-T229 HydrophobicContact CB-CG2 4.41Å; R167-L231 HydrophobicContact CG-CD2 3.87Å |
| 168 | C | 96.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 114.3 | -177.4 | -62 | 0 | 0 | 0 | 0 | 111 | L76 C154 T229 L230 | L76-C168 HydrophobicContact CD2-CB 3.48Å; L76-C168 VanDerWaalsContact CD2-CB 3.48Å; C154-C168 HydrophobicContact CB-CB 3.69Å; C154-C168 WeakPolarHBondContact CB-SG 3.38Å; C154-C168 WeakPolarHBondContact SG-CA 3.43Å; C154-C168 WeakPolarHBondContact SG-CB 3.06Å; C154-C168 CovalentContact SG-SG 2.03Å; C154-C168 PolarHBondContact SG-SG 3.45Å; C168-T229 CarbonylContact O-C 3.55Å; C168-T229 WeakPolarHBondContact O-CA 3.5Å; C168-L230 PolarHBondContact N-O 3.27Å; C168-L230 PolarHBondContact O-N 3.48Å |
| 169 | G | 96.3 | Very high | 92.6 | Very high | 23 Ų | 23 | 38.5 Ų | 38.5 | 24% | 0.237 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 135.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N120 F228 | N120-G169 PolarHBondContact ND2-O 3.4Å; G169-F228 CarbonylContact C-O 3.58Å |
| 170 | L | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 111.4 | 166.9 | -63 | 104.7 | 0 | 0 | 0 | 108.7 | L78 L80 L118 F172 M207 T227 F228 | L78-L170 HydrophobicContact CD1-CD1 3.77Å; L78-L170 HydrophobicContact CD1-CD2 3.94Å; L78-L170 HydrophobicContact CD1-CG 4.5Å; L80-L170 HydrophobicContact CD1-CD2 4.12Å; L118-L170 HydrophobicContact CD1-CB 3.97Å; L118-L170 HydrophobicContact CD1-CD2 4.36Å; L170-F172 HydrophobicContact CB-CE2 3.8Å; L170-F172 HydrophobicContact CB-CZ 4.43Å; L170-M207 HydrophobicContact CD1-CE 3.71Å; L170-T227 CarbonylContact O-C 3.58Å; L170-T227 WeakPolarHBondContact O-CA 3.48Å; L170-F228 PolarHBondContact N-O 3.08Å; L170-F228 PolarHBondContact O-N 2.96Å |
| 171 | T | 96.1 | Very high | 92.9 | Very high | 25 Ų | 25 | 43.4 Ų | 43.4 | 15% | 0.153 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 115.1 | -174.9 | -59.9 | 0 | 0 | 0 | 0 | 111 | L118 Y119 N120 D225 T227 | L118-T171 WeakPolarHBondContact CA-O 3.37Å; Y119-T171 HydrophobicContact CD2-CG2 3.7Å; Y119-T171 HydrophobicContact CE2-CG2 4.34Å; Y119-T171 HydrophobicContact CG-CG2 4.46Å; Y119-T171 PolarHBondContact N-O 3.47Å; N120-T171 PolarHBondContact OD1-N 2.86Å; N120-T171 VanDerWaalsContact OD1-N 3.13Å; T171-D225 HydrophobicContact CG2-CB 3.92Å; T171-D225 WeakPolarHBondContact CG2-OD2 3.32Å; T171-T227 PolarHBondContact OG1-OG1 3.19Å; T171-T227 VanDerWaalsContact OG1-OG1 3.08Å |
| 172 | F | 95.9 | Very high | 93.2 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 135.4 | 178 | -64.1 | -87.4 | 0 | 0 | 0 | 111.1 | L59 V61 L80 I82 I116 V117 L118 L170 D225 V226 F228 | L59-F172 HydrophobicContact CD2-CB 3.59Å; L59-F172 HydrophobicContact CD2-CD2 4.33Å; L59-F172 HydrophobicContact CD2-CG 4.03Å; V61-F172 HydrophobicContact CG2-CE2 4.33Å; L80-F172 HydrophobicContact CD1-CZ 4.28Å; I82-F172 HydrophobicContact CD1-CE1 3.88Å; I82-F172 HydrophobicContact CD1-CZ 4.23Å; I116-F172 HydrophobicContact CG2-CB 4.02Å; I116-F172 HydrophobicContact CG2-CD1 4.33Å; V117-F172 WeakPolarHBondContact O-CA 3.32Å; L118-F172 HydrophobicContact CB-CD1 4.41Å; L118-F172 HydrophobicContact CB-CE1 4.17Å; L118-F172 HydrophobicContact CD1-CE1 4.22Å; L118-F172 HydrophobicContact CD1-CE2 4.35Å; L118-F172 HydrophobicContact CD1-CZ 4.12Å; L170-F172 HydrophobicContact CB-CE2 3.8Å; L170-F172 HydrophobicContact CB-CZ 4.43Å; F172-D225 CarbonylContact O-C 3.55Å; F172-D225 WeakPolarHBondContact O-CA 3.41Å; F172-V226 PolarHBondContact N-O 3.4Å; F172-V226 PolarHBondContact O-N 2.87Å; F172-F228 AromaticContact CD2-CD2 3.87Å; F172-F228 HydrophobicContact CD2-CD2 3.87Å; F172-F228 HydrophobicContact CD2-CE2 4.19Å; F172-F228 HydrophobicContact CE2-CD2 4.1Å |
| 173 | G | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 169.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | I116 V117 | I116-G173 WeakPolarHBondContact CA-O 3.39Å; V117-G173 PolarHBondContact N-O 3.42Å; V117-G173 PolarHBondContact O-N 3.28Å; V117-G173 VanDerWaalsContact O-N 3.12Å |
| 174 | S | 94.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 145.3 | 171.1 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | D115 Y119 H177 | D115-S174 VanDerWaalsContact CG-OG 3.31Å; D115-S174 WeakPolarHBondContact O-CA 3.29Å; D115-S174 PolarHBondContact OD1-OG 2.86Å; D115-S174 PolarHBondContact OD2-OG 2.84Å; Y119-S174 PolarHBondContact OH-O 3.24Å; S174-H177 WeakPolarHBondContact OG-CB 3.47Å; S174-H177 PolarHBondContact OG-N 2.88Å; S174-H177 PolarHBondContact OG-ND1 2.86Å |
| 175 | W | 91.2 | Very high | 94 | Very high | 175 Ų | 175 | 45.8 Ų | 45.8 | 66% | 0.663 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -87.1 | -41.2 | 177 | -170 | -107.4 | 0 | 0 | 0 | 112.8 | D115 V117 Y119 | D115-W175 PolarHBondContact O-N 3.34Å; D115-W175 PolarHBondContact OD2-N 3.07Å; V117-W175 HydrophobicContact CG1-CB 4.33Å; V117-W175 HydrophobicContact CG2-CB 3.9Å; V117-W175 HydrophobicContact CG2-CD2 4.32Å; V117-W175 HydrophobicContact CG2-CE3 3.72Å; V117-W175 HydrophobicContact CG2-CG 4.44Å; Y119-W175 HydrophobicContact CD1-CE3 4.18Å; Y119-W175 HydrophobicContact CD1-CZ3 4.19Å; Y119-W175 HydrophobicContact CE1-CE3 4.01Å; Y119-W175 HydrophobicContact CE1-CZ3 4.39Å |
| 176 | T | 90.8 | Very high | 94.2 | Very high | 87 Ų | 87 | 44.4 Ų | 44.4 | 53% | 0.534 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -107.8 | -25 | -170.9 | 59.2 | 0 | 0 | 0 | 0 | 113.8 | D115 | D115-T176 WeakPolarHBondContact OD2-CB 3.28Å; D115-T176 PolarHBondContact OD2-N 3.49Å; D115-T176 PolarHBondContact OD2-OG1 2.95Å |
| 177 | H | 91.3 | Very high | 94.1 | Very high | 30 Ų | 30 | 49.7 Ų | 49.7 | 14% | 0.139 | 23% | 0.228 | C | C | . | . | trans | -96.3 | 125.6 | -176.2 | -56.9 | 87.8 | 0 | 0 | 0 | 111.1 | D115 S174 Q181 L182 | D115-H177 IonicContact OD1-CE1 2.93Å; D115-H177 IonicContact OD1-ND1 2.73Å; D115-H177 PolarHBondContact OD1-ND1 2.92Å; D115-H177 IonicContact OD2-ND1 2.75Å; S174-H177 WeakPolarHBondContact OG-CB 3.47Å; S174-H177 PolarHBondContact OG-N 2.88Å; S174-H177 PolarHBondContact OG-ND1 2.86Å; H177-Q181 HydrophobicContact CB-CB 4.17Å; H177-Q181 PolarHBondContact CD2-OE1 3.47Å; H177-L182 HydrophobicContact CB-CB 3.62Å; H177-L182 HydrophobicContact CB-CD1 4.2Å | ||
| 178 | G | 90.4 | Very high | 94 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | trans | -73.3 | 169.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | H180 Q181 L182 | G178-H180 PolarHBondContact O-N 3.47Å; G178-H180 VanDerWaalsContact O-N 3.13Å; G178-Q181 PolarHBondContact O-N 3.34Å; G178-L182 PolarHBondContact O-N 2.88Å | ||
| 179 | G | 89.7 | Confident | 93.9 | Very high | 17 Ų | 17 | 46.3 Ų | 46.3 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -16 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | T54 P222 P224 | T54-G179 WeakPolarHBondContact CG2-O 3.24Å; G179-P222 VanDerWaalsContact CA-O 3.22Å; G179-P222 WeakPolarHBondContact CA-O 3.23Å; G179-P222 PolarHBondContact N-O 3.43Å; G179-P224 VanDerWaalsContact CA-CD 3.45Å |
| 180 | H | 90.3 | Very high | 93.9 | Very high | 119 Ų | 119 | 48 Ų | 48 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -26 | 171.1 | -63.7 | -61.4 | 0 | 0 | 0 | 112.4 | T54 G178 | T54-H180 WeakPolarHBondContact CA-O 3.28Å; T54-H180 WeakPolarHBondContact CB-O 3.23Å; T54-H180 PolarHBondContact OG1-O 3.46Å; G178-H180 PolarHBondContact O-N 3.47Å; G178-H180 VanDerWaalsContact O-N 3.13Å |
| 181 | Q | 92.7 | Very high | 93.8 | Very high | 69 Ų | 69 | 48.4 Ų | 48.4 | 32% | 0.322 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -37.7 | -176.8 | -64.1 | -178.7 | -16.1 | 0 | 0 | 112.3 | R46 L55 H177 G178 | R46-Q181 WeakPolarHBondContact CD-O 3.35Å; L55-Q181 PolarHBondContact N-O 3.2Å; H177-Q181 HydrophobicContact CB-CB 4.17Å; H177-Q181 PolarHBondContact CD2-OE1 3.47Å; G178-Q181 PolarHBondContact O-N 3.34Å |
| 182 | L | 94.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 124.6 | -176.1 | -167.6 | 159 | 0 | 0 | 0 | 110.3 | L55 V57 W112 P114 I116 H177 G178 V184 P224 | L55-L182 WeakPolarHBondContact O-CA 3.37Å; V57-L182 HydrophobicContact CB-CD2 4.31Å; V57-L182 HydrophobicContact CG2-CD1 4.17Å; V57-L182 HydrophobicContact CG2-CD2 3.91Å; V57-L182 HydrophobicContact CG2-CG 3.95Å; W112-L182 HydrophobicContact CH2-CD1 4.03Å; P114-L182 HydrophobicContact CB-CD1 4Å; I116-L182 HydrophobicContact CD1-CD2 4.34Å; H177-L182 HydrophobicContact CB-CB 3.62Å; H177-L182 HydrophobicContact CB-CD1 4.2Å; G178-L182 PolarHBondContact O-N 2.88Å; L182-V184 HydrophobicContact CD2-CG2 3.34Å; L182-P224 WeakPolarHBondContact O-CG 3.39Å |
| 183 | D | 95 | Very high | 93.6 | Very high | 12 Ų | 12 | 51.9 Ų | 51.9 | 6% | 0.064 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 111 | 176.4 | -173.2 | 18.5 | 0 | 0 | 0 | 110.8 | T54 L55 V57 R185 R211 | T54-D183 HydrophobicContact CG2-CB 3.75Å; L55-D183 PolarHBondContact O-N 3.21Å; V57-D183 PolarHBondContact N-O 2.63Å; D183-R185 IonicContact OD2-CZ 3.35Å; D183-R185 IonicContact OD2-NE 3.82Å; D183-R185 PolarHBondContact OD2-NE 3.43Å; D183-R185 IonicContact OD2-NH2 3.94Å; D183-R185 PolarHBondContact OD2-NH2 3.46Å; D183-R211 IonicContact OD1-CZ 2.84Å; D183-R211 IonicContact OD1-NE 3.25Å; D183-R211 PolarHBondContact OD1-NE 3.32Å; D183-R211 IonicContact OD1-NH2 3.89Å; D183-R211 PolarHBondContact OD1-NH2 3.25Å; D183-R211 IonicContact OD2-NH2 2.86Å |
| 184 | V | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 128.5 | 177 | -170 | 0 | 0 | 0 | 0 | 109.6 | V57 L59 I116 L182 R211 V226 | V57-V184 WeakPolarHBondContact O-CA 3.03Å; L59-V184 HydrophobicContact CB-CG1 4.19Å; L59-V184 HydrophobicContact CD2-CG1 4.37Å; I116-V184 HydrophobicContact CD1-CG2 3.62Å; L182-V184 HydrophobicContact CD2-CG2 3.34Å; V184-R211 PolarHBondContact O-NE 2.9Å; V184-V226 HydrophobicContact CB-CG2 4.4Å; V184-V226 HydrophobicContact CG1-CG2 3.82Å |
| 185 | R | 96.4 | Very high | 93.1 | Very high | 126 Ų | 126 | 60.9 Ų | 60.9 | 48% | 0.475 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138.9 | 178.9 | -62.3 | -173.6 | 179.6 | -175.4 | 3.1 | 111.4 | V57 T58 L59 D183 | V57-R185 PolarHBondContact O-N 2.75Å; T58-R185 CarbonylContact C-O 3.58Å; T58-R185 WeakPolarHBondContact CA-O 3.42Å; L59-R185 PolarHBondContact N-O 2.88Å; D183-R185 IonicContact OD2-CZ 3.35Å; D183-R185 IonicContact OD2-NE 3.82Å; D183-R185 PolarHBondContact OD2-NE 3.43Å; D183-R185 IonicContact OD2-NH2 3.94Å; D183-R185 PolarHBondContact OD2-NH2 3.46Å |
| 186 | P | 96.8 | Very high | 93.3 | Very high | 35 Ų | 35 | 54.6 Ų | 54.6 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 143.5 | 171.8 | 31 | -32.9 | 0 | 0 | 0 | 110.3 | L59 G188 A209 V226 | L59-P186 CarbonylContact O-C 3.56Å; L59-P186 WeakPolarHBondContact O-CA 3.25Å; P186-G188 VanDerWaalsContact C-N 3.26Å; P186-G188 WeakPolarHBondContact CB-O 3.11Å; P186-G188 PolarHBondContact O-N 3.01Å; P186-A209 HydrophobicContact CB-CB 4.05Å; P186-V226 HydrophobicContact CB-CG1 3.9Å; P186-V226 HydrophobicContact CG-CG1 4.28Å |
| 187 | R | 94.9 | Very high | 93.5 | Very high | 117 Ų | 117 | 54.6 Ų | 54.6 | 44% | 0.442 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -61.9 | -33.8 | 174.1 | 179.3 | 72.1 | 94.8 | -171.1 | 5.4 | 112.5 | T58 L59 E60 E85 | T58-R187 HydrophobicContact CG2-CB 3.81Å; T58-R187 HydrophobicContact CG2-CG 4.45Å; L59-R187 PolarHBondContact O-N 3.02Å; E60-R187 HydrophobicContact CB-CB 3.91Å; E60-R187 HydrophobicContact CG-CB 4.34Å; E85-R187 IonicContact OE1-CZ 3.35Å; E85-R187 VanDerWaalsContact OE1-CZ 3.26Å; E85-R187 IonicContact OE1-NH1 3.37Å; E85-R187 PolarHBondContact OE1-NH1 3.33Å; E85-R187 IonicContact OE1-NH2 3.68Å; E85-R187 PolarHBondContact OE1-NH2 2.94Å; E85-R187 IonicContact OE2-NH2 3.76Å; E85-R187 PolarHBondContact OE2-NH2 3.48Å |
| 188 | G | 93.4 | Very high | 93.6 | Very high | 40 Ų | 40 | 60.1 Ų | 60.1 | 41% | 0.412 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -148.9 | -176.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P186 A190 | P186-G188 VanDerWaalsContact C-N 3.26Å; P186-G188 WeakPolarHBondContact CB-O 3.11Å; P186-G188 PolarHBondContact O-N 3.01Å; G188-A190 VanDerWaalsContact C-N 3.29Å; G188-A190 PolarHBondContact O-N 3.05Å |
| 189 | A | 94.4 | Very high | 93.8 | Very high | 87 Ų | 87 | 61.7 Ų | 61.7 | 72% | 0.719 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -76.7 | -11.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A209 | A189-A209 PolarHBondContact O-N 3.42Š|
| 190 | A | 95.3 | Very high | 93.9 | Very high | 57 Ų | 57 | 67.3 Ų | 67.3 | 47% | 0.471 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -148 | 158.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G188 M207 | G188-A190 VanDerWaalsContact C-N 3.29Å; G188-A190 PolarHBondContact O-N 3.05Å; A190-M207 CarbonylContact C-O 3.51Å; A190-M207 WeakPolarHBondContact CA-O 3.48Å |
| 191 | A | 94.3 | Very high | 94 | Very high | 9 Ų | 9 | 64.4 Ų | 64.4 | 7% | 0.074 | 37% | 0.37 | C | S | . | . | trans | -66.2 | 150 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | V61 M207 F228 | V61-A191 HydrophobicContact CB-CB 4.35Å; V61-A191 HydrophobicContact CG1-CB 4.46Å; V61-A191 CarbonylContact O-C 3.58Å; V61-A191 VanDerWaalsContact O-CA 3.27Å; V61-A191 WeakPolarHBondContact O-CA 3.32Å; V61-A191 WeakPolarHBondContact O-CB 3.26Å; A191-M207 HydrophobicContact CB-CB 3.95Å; A191-M207 HydrophobicContact CB-CE 4.4Å; A191-M207 HydrophobicContact CB-CG 3.69Å; A191-M207 HydrophobicContact CB-SD 3.65Å; A191-M207 PolarHBondContact N-O 3.47Å; A191-F228 HydrophobicContact CB-CD1 3.74Å; A191-F228 HydrophobicContact CB-CE1 4.06Å | ||
| 192 | S | 94 | Very high | 94.1 | Very high | 40 Ų | 40 | 61.3 Ų | 61.3 | 28% | 0.28 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | trans | -73.5 | 135.3 | 174.6 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | V61 T62 L63 A194 | V61-S192 PolarHBondContact O-N 3.35Å; T62-S192 WeakPolarHBondContact CA-O 3.37Å; L63-S192 PolarHBondContact N-O 2.82Å; S192-A194 PolarHBondContact OG-N 3.05Å |
| 193 | L | 94.1 | Very high | 94.1 | Very high | 64 Ų | 64 | 68 Ų | 68 | 34% | 0.335 | 38% | 0.381 | S | S | . | . | trans | -113.1 | 15.2 | 173.4 | -58.1 | 178.9 | 0 | 0 | 0 | 111.4 | L63 D195 F196 V204 | L63-L193 HydrophobicContact CB-CD2 3.82Å; L63-L193 HydrophobicContact CD2-CD2 3.89Å; L63-L193 HydrophobicContact CG-CD2 4.43Å; L193-D195 VanDerWaalsContact C-N 3.31Å; L193-D195 PolarHBondContact O-N 3.33Å; L193-F196 HydrophobicContact CB-CB 4.32Å; L193-F196 WeakPolarHBondContact O-CB 3.35Å; L193-F196 PolarHBondContact O-N 3.5Å; L193-V204 HydrophobicContact CD1-CG1 4.14Å; L193-V204 HydrophobicContact CD2-CG1 4.39Å | ||
| 194 | A | 90.2 | Very high | 94.2 | Very high | 82 Ų | 82 | 68.7 Ų | 68.7 | 68% | 0.678 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -37.8 | -173 | 0 | 0 | 0 | 0 | 0 | 113 | S192 | S192-A194 PolarHBondContact OG-N 3.05Š|
| 195 | D | 89.7 | Confident | 94.2 | Very high | 110 Ų | 110 | 73.7 Ų | 73.7 | 59% | 0.588 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | 22.5 | -178.7 | -55.6 | -48.7 | 0 | 0 | 0 | 112.2 | L193 V197 | L193-D195 VanDerWaalsContact C-N 3.31Å; L193-D195 PolarHBondContact O-N 3.33Å; D195-V197 PolarHBondContact O-N 3.22Å |
| 196 | F | 95.4 | Very high | 94.1 | Very high | 44 Ų | 44 | 68.4 Ų | 68.4 | 19% | 0.193 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 124 | -177.5 | 175.7 | -116 | 0 | 0 | 0 | 111.5 | L63 S64 I66 L193 E198 V204 | L63-F196 HydrophobicContact CD2-CD2 3.76Å; L63-F196 HydrophobicContact CD2-CE2 3.83Å; L63-F196 HydrophobicContact CG-CD2 3.77Å; L63-F196 HydrophobicContact CG-CE2 4.15Å; S64-F196 WeakPolarHBondContact O-CA 3.42Å; I66-F196 HydrophobicContact CD1-CE2 4.46Å; I66-F196 HydrophobicContact CD1-CZ 4.42Å; I66-F196 HydrophobicContact CG1-CE2 4.3Å; L193-F196 HydrophobicContact CB-CB 4.32Å; L193-F196 WeakPolarHBondContact O-CB 3.35Å; L193-F196 PolarHBondContact O-N 3.5Å; F196-E198 HydrophobicContact CE1-CG 4.44Å; F196-V204 HydrophobicContact CE1-CB 4.04Å; F196-V204 HydrophobicContact CE1-CG2 3.7Å; F196-V204 HydrophobicContact CE2-CG2 3.98Å; F196-V204 HydrophobicContact CZ-CB 4.18Å; F196-V204 HydrophobicContact CZ-CG2 3.33Å |
| 197 | V | 95.2 | Very high | 94.2 | Very high | 86 Ų | 86 | 66.9 Ų | 66.9 | 52% | 0.521 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -85.5 | 120 | 169.4 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | S64 Q65 D195 N199 | S64-V197 PolarHBondContact O-N 3.47Å; Q65-V197 HydrophobicContact CB-CB 4.48Å; D195-V197 PolarHBondContact O-N 3.22Å; V197-N199 PolarHBondContact O-N 2.95Å |
| 198 | E | 93.6 | Very high | 94.3 | Very high | 146 Ų | 146 | 64 Ų | 64 | 68% | 0.682 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 134.1 | 178.9 | -73 | -165.3 | -169.4 | 0 | 0 | 112.2 | F196 R235 | F196-E198 HydrophobicContact CE1-CG 4.44Å; E198-R235 IonicContact OE2-NH2 2.83Å; E198-R235 PolarHBondContact OE2-NH2 2.84Å |
| 199 | N | 93.9 | Very high | 94.5 | Very high | 34 Ų | 34 | 62.9 Ų | 62.9 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -90.8 | 143.2 | 177 | -173.8 | -77 | 0 | 0 | 0 | 110.8 | I66 V197 E201 W202 R235 | I66-N199 HydrophobicContact CB-CB 4.43Å; I66-N199 HydrophobicContact CD1-CB 4.36Å; I66-N199 PolarHBondContact O-ND2 3.37Å; V197-N199 PolarHBondContact O-N 2.95Å; N199-E201 VanDerWaalsContact C-N 3.33Å; N199-E201 WeakPolarHBondContact OD1-CA 3.21Å; N199-E201 WeakPolarHBondContact OD1-CB 3.46Å; N199-E201 PolarHBondContact OD1-N 3.48Å; N199-W202 HydrophobicContact CB-CB 4.48Å; N199-W202 PolarHBondContact OD1-N 2.85Å; N199-R235 PolarHBondContact O-NE 2.89Å |
| 200 | V | 91.8 | Very high | 94.6 | Very high | 136 Ų | 136 | 63.5 Ų | 63.5 | 82% | 0.824 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -72.2 | -28.3 | -176.6 | -179.7 | 0 | 0 | 0 | 0 | 112.2 | R235 | V200-R235 WeakPolarHBondContact O-CD 3.38Š|
| 201 | E | 91.5 | Very high | 94.6 | Very high | 58 Ų | 58 | 65.4 Ų | 65.4 | 27% | 0.271 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -101.4 | -37.3 | -176.2 | -169 | -174.3 | 151.3 | 0 | 0 | 112 | N199 R234 R235 Y239 | N199-E201 VanDerWaalsContact C-N 3.33Å; N199-E201 WeakPolarHBondContact OD1-CA 3.21Å; N199-E201 WeakPolarHBondContact OD1-CB 3.46Å; N199-E201 PolarHBondContact OD1-N 3.48Å; E201-R234 IonicContact OE1-CZ 3.7Å; E201-R234 IonicContact OE1-NH1 3.68Å; E201-R234 PolarHBondContact OE1-NH1 3.5Å; E201-R235 WeakPolarHBondContact O-CB 3.45Å; E201-R235 PolarHBondContact O-N 2.81Å; E201-Y239 HydrophobicContact CG-CE2 4.28Å; E201-Y239 PolarHBondContact OE1-OH 3.15Å |
| 202 | W | 94.8 | Very high | 94.6 | Very high | 3 Ų | 3 | 70.6 Ų | 70.6 | 1% | 0.011 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 129.1 | -173.6 | -65.3 | 96.5 | 0 | 0 | 0 | 112.5 | I66 M69 Q166 N199 L232 R234 | I66-W202 HydrophobicContact CD1-CB 4.13Å; M69-W202 HydrophobicContact CB-CZ2 4.45Å; M69-W202 HydrophobicContact CG-CZ2 4.05Å; Q166-W202 HydrophobicContact CB-CH2 4.48Å; Q166-W202 HydrophobicContact CB-CZ3 4.35Å; Q166-W202 HydrophobicContact CG-CH2 3.5Å; Q166-W202 HydrophobicContact CG-CZ3 3.68Å; N199-W202 HydrophobicContact CB-CB 4.48Å; N199-W202 PolarHBondContact OD1-N 2.85Å; W202-L232 HydrophobicContact CB-CD2 4.31Å; W202-L232 HydrophobicContact CD2-CB 4.38Å; W202-L232 HydrophobicContact CD2-CD1 4.4Å; W202-L232 HydrophobicContact CE3-CB 3.63Å; W202-L232 HydrophobicContact CE3-CD1 4.37Å; W202-L232 HydrophobicContact CZ3-CB 4.06Å; W202-R234 HydrophobicContact CE3-CB 4.14Å; W202-R234 HydrophobicContact CH2-CB 4.25Å; W202-R234 VanDerWaalsContact CH2-NH2 3.28Å; W202-R234 VanDerWaalsContact CZ2-CZ 3.43Å; W202-R234 VanDerWaalsContact CZ2-NH2 3.31Å; W202-R234 HydrophobicContact CZ3-CB 3.82Å |
| 203 | R | 95.4 | Very high | 94.6 | Very high | 143 Ų | 143 | 72.2 Ų | 72.2 | 54% | 0.54 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 122.9 | 167.1 | -175.5 | 179.2 | 175.6 | -172.4 | -1.3 | 109.3 | H233 | R203-H233 WeakPolarHBondContact CB-O 3.4Å; R203-H233 PolarHBondContact N-O 3.23Å; R203-H233 PolarHBondContact O-N 3.42Å |
| 204 | V | 96.6 | Very high | 94.4 | Very high | 26 Ų | 26 | 72.4 Ų | 72.4 | 16% | 0.158 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 122.5 | 175.1 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | L63 I66 L193 F196 L230 L232 | L63-V204 HydrophobicContact CD2-CG1 4.49Å; L63-V204 HydrophobicContact CD2-CG2 4.33Å; I66-V204 HydrophobicContact CD1-CG2 3.72Å; L193-V204 HydrophobicContact CD1-CG1 4.14Å; L193-V204 HydrophobicContact CD2-CG1 4.39Å; F196-V204 HydrophobicContact CE1-CB 4.04Å; F196-V204 HydrophobicContact CE1-CG2 3.7Å; F196-V204 HydrophobicContact CE2-CG2 3.98Å; F196-V204 HydrophobicContact CZ-CB 4.18Å; F196-V204 HydrophobicContact CZ-CG2 3.33Å; V204-L230 HydrophobicContact CG1-CD1 3.9Å; V204-L230 HydrophobicContact CG2-CD1 4.45Å; V204-L232 HydrophobicContact CG2-CD2 3.87Å |
| 205 | L | 95.8 | Very high | 94.4 | Very high | 105 Ų | 105 | 73.1 Ų | 73.1 | 55% | 0.55 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -27.1 | 176.2 | -58.7 | 178.8 | 0 | 0 | 0 | 112 | L231 H233 | L205-L231 HydrophobicContact CB-CB 4.02Å; L205-L231 PolarHBondContact N-O 3.36Å; L205-H233 HydrophobicContact CD1-CB 4.3Å; L205-H233 HydrophobicContact CG-CB 4.44Å |
| 206 | G | 96.1 | Very high | 94.3 | Very high | 14 Ų | 14 | 71.9 Ų | 71.9 | 14% | 0.144 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.1 | 170.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L231 | G206-L231 WeakPolarHBondContact O-CB 3.45Å; G206-L231 PolarHBondContact O-N 3.05Å |
| 207 | M | 97.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 74.4 Ų | 74.4 | 2% | 0.015 | 40% | 0.4 | C | S | . | . | trans | -139 | 70.5 | 177.6 | -172.4 | 172.6 | -178.8 | 0 | 0 | 111.2 | V61 L63 L170 A190 A191 F228 T229 L230 | V61-M207 HydrophobicContact CG1-CE 4.26Å; L63-M207 HydrophobicContact CB-SD 4.27Å; L170-M207 HydrophobicContact CD1-CE 3.71Å; A190-M207 CarbonylContact C-O 3.51Å; A190-M207 WeakPolarHBondContact CA-O 3.48Å; A191-M207 HydrophobicContact CB-CB 3.95Å; A191-M207 HydrophobicContact CB-CE 4.4Å; A191-M207 HydrophobicContact CB-CG 3.69Å; A191-M207 HydrophobicContact CB-SD 3.65Å; A191-M207 PolarHBondContact N-O 3.47Å; M207-F228 HydrophobicContact CE-CB 3.4Å; M207-F228 VanDerWaalsContact CE-CB 3.4Å; M207-F228 HydrophobicContact CE-CG 4.2Å; M207-F228 HydrophobicContact CG-CB 4.11Å; M207-T229 VanDerWaalsContact CA-O 3.31Å; M207-T229 WeakPolarHBondContact CA-O 3.3Å; M207-L230 HydrophobicContact CB-CD1 4.13Å; M207-L230 HydrophobicContact CG-CD1 4.3Å; M207-L230 HydrophobicContact SD-CD1 4.11Å | ||
| 208 | P | 97.9 | Very high | 93.4 | Very high | 56 Ų | 56 | 75.5 Ų | 75.5 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | B | Isolated β-bridge | trans | -59.7 | 144.8 | 177.9 | 24.2 | -36.6 | 0 | 0 | 0 | 112.7 | F228 T229 L231 | P208-F228 WeakPolarHBondContact O-CA 3.35Å; P208-T229 WeakPolarHBondContact CD-O 3.43Å; P208-T229 PolarHBondContact O-N 3.27Å; P208-L231 HydrophobicContact CG-CD1 4.32Å |
| 209 | A | 97.5 | Very high | 92.9 | Very high | 17 Ų | 17 | 70.8 Ų | 70.8 | 14% | 0.14 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.3 | 177 | 0 | 0 | 0 | 0 | 0 | 109.8 | P186 A189 F228 | P186-A209 HydrophobicContact CB-CB 4.05Å; A189-A209 PolarHBondContact O-N 3.42Å; A209-F228 HydrophobicContact CB-CD1 3.59Å; A209-F228 HydrophobicContact CB-CE1 3.46Å; A209-F228 VanDerWaalsContact CB-CE1 3.46Å; A209-F228 HydrophobicContact CB-CG 4.43Å; A209-F228 HydrophobicContact CB-CZ 4.18Å |
| 210 | Q | 96.8 | Very high | 92.5 | Very high | 100 Ų | 100 | 74.7 Ų | 74.7 | 47% | 0.467 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 121.5 | 176.9 | -168.6 | 179.5 | 23.9 | 0 | 0 | 109.7 | R212 T227 | Q210-R212 HydrophobicContact CG-CG 4.44Å; Q210-T227 PolarHBondContact N-O 3.35Å; Q210-T227 PolarHBondContact O-N 2.92Å |
| 211 | R | 95.6 | Very high | 92.3 | Very high | 98 Ų | 98 | 71.8 Ų | 71.8 | 37% | 0.37 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 133.8 | 169.4 | -176 | 176.8 | 174.5 | -80.6 | 1.9 | 109.6 | D183 V184 D225 | D183-R211 IonicContact OD1-CZ 2.84Å; D183-R211 IonicContact OD1-NE 3.25Å; D183-R211 PolarHBondContact OD1-NE 3.32Å; D183-R211 IonicContact OD1-NH2 3.89Å; D183-R211 PolarHBondContact OD1-NH2 3.25Å; D183-R211 IonicContact OD2-NH2 2.86Å; V184-R211 PolarHBondContact O-NE 2.9Å; R211-D225 CarbonylContact C-O 3.57Å; R211-D225 WeakPolarHBondContact CA-O 3.47Å |
| 212 | R | 94.4 | Very high | 92.3 | Very high | 117 Ų | 117 | 70.7 Ų | 70.7 | 44% | 0.442 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 158.4 | 172.7 | -64.8 | 175.7 | -176.1 | -161.4 | 1.2 | 108.8 | Q210 L214 P224 D225 | Q210-R212 HydrophobicContact CG-CG 4.44Å; R212-L214 HydrophobicContact CB-CG 4.48Å; R212-P224 WeakPolarHBondContact O-CA 3.37Å; R212-D225 VanDerWaalsContact C-OD1 3.27Å; R212-D225 WeakPolarHBondContact CB-OD1 3.31Å; R212-D225 PolarHBondContact N-O 3.46Å; R212-D225 PolarHBondContact O-N 3.42Å; R212-D225 VanDerWaalsContact O-OD1 3.11Å |
| 213 | V | 93.3 | Very high | 92.3 | Very high | 74 Ų | 74 | 72.1 Ų | 72.1 | 45% | 0.448 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 110.7 | 175.4 | -177.6 | 0 | 0 | 0 | 0 | 105.5 | P222 P224 | V213-P222 HydrophobicContact CG1-CB 3.59Å; V213-P224 HydrophobicContact CG2-CB 4.45Å |
| 214 | L | 90.3 | Very high | 92.3 | Very high | 69 Ų | 69 | 65.6 Ų | 65.6 | 36% | 0.361 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 137.2 | -173.1 | -62.3 | 173.4 | 0 | 0 | 0 | 109.3 | R212 Y223 | R212-L214 HydrophobicContact CB-CG 4.48Å; L214-Y223 PolarHBondContact N-O 2.76Å; L214-Y223 PolarHBondContact O-N 2.93Å |
| 215 | T | 90.7 | Very high | 92.2 | Very high | 96 Ų | 96 | 64.6 Ų | 64.6 | 59% | 0.589 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 119.1 | 167.7 | -53.4 | 0 | 0 | 0 | 0 | 107.4 | C219 | T215-C219 WeakPolarHBondContact CG2-O 3.41Å |
| 216 | Y | 87.1 | Confident | 92.3 | Very high | 84 Ų | 84 | 59.6 Ų | 59.6 | 33% | 0.329 | 35% | 0.348 | S | S | . | . | trans | -85.4 | 149.1 | -179 | -66.4 | -75.4 | 0 | 0 | 0 | 110.7 | C218 C219 Y223 | Y216-C218 PolarHBondContact O-N 2.93Å; Y216-C219 PolarHBondContact O-N 2.92Å; Y216-C219 VanDerWaalsContact O-N 3.08Å; Y216-Y223 AromaticContact CD2-CD2 3.77Å; Y216-Y223 HydrophobicContact CD2-CD2 3.77Å; Y216-Y223 HydrophobicContact CD2-CE2 4.49Å; Y216-Y223 AromaticContact CD2-CG 4Å; Y216-Y223 HydrophobicContact CD2-CG 4Å; Y216-Y223 HydrophobicContact CE2-CD2 4.25Å; Y216-Y223 AromaticContact CE2-CG 3.99Å; Y216-Y223 HydrophobicContact CE2-CG 3.99Å | ||
| 217 | G | 86.5 | Confident | 92.3 | Very high | 97 Ų | 97 | 59.5 Ų | 59.5 | 100% | 1 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -16.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 218 | C | 84.7 | Confident | 92.3 | Very high | 110 Ų | 110 | 59.5 Ų | 59.5 | 74% | 0.743 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -24.3 | 176.5 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | Y216 | Y216-C218 PolarHBondContact O-N 2.93Š|
| 219 | C | 83.7 | Confident | 92.3 | Very high | 46 Ų | 46 | 58.4 Ų | 58.4 | 31% | 0.311 | 34% | 0.337 | S | S | . | . | trans | -136.3 | 140.6 | -169.2 | -61.7 | 0 | 0 | 0 | 0 | 111 | T215 Y216 E221 Y223 | T215-C219 WeakPolarHBondContact CG2-O 3.41Å; Y216-C219 PolarHBondContact O-N 2.92Å; Y216-C219 VanDerWaalsContact O-N 3.08Å; C219-E221 VanDerWaalsContact C-N 3.28Å; C219-E221 PolarHBondContact O-N 3.43Å; C219-Y223 HydrophobicContact CB-CE2 3.8Å | ||
| 220 | S | 85.1 | Confident | 92.3 | Very high | 117 Ų | 117 | 57.6 Ų | 57.6 | 82% | 0.818 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -77.5 | -15.3 | 176.7 | 44.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 221 | E | 87.6 | Confident | 92.3 | Very high | 74 Ų | 74 | 55.1 Ų | 55.1 | 35% | 0.346 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -83.5 | 144.4 | -178.4 | -62.7 | -179 | -167.1 | 0 | 0 | 112.4 | C219 Y223 | C219-E221 VanDerWaalsContact C-N 3.28Å; C219-E221 PolarHBondContact O-N 3.43Å; E221-Y223 HydrophobicContact CB-CE2 4.42Å; E221-Y223 WeakPolarHBondContact O-CD2 3.38Å |
| 222 | P | 92.4 | Very high | 92.4 | Very high | 35 Ų | 35 | 50.5 Ų | 50.5 | 23% | 0.227 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 137.6 | 172.9 | 30.3 | -32.5 | 0 | 0 | 0 | 110.8 | G179 V213 | G179-P222 VanDerWaalsContact CA-O 3.22Å; G179-P222 WeakPolarHBondContact CA-O 3.23Å; G179-P222 PolarHBondContact N-O 3.43Å; V213-P222 HydrophobicContact CG1-CB 3.59Å |
| 223 | Y | 93.3 | Very high | 92.4 | Very high | 34 Ų | 34 | 48.4 Ų | 48.4 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 116 | 174.7 | -74.8 | -99.2 | 0 | 0 | 0 | 109.7 | L214 Y216 C219 E221 | L214-Y223 PolarHBondContact N-O 2.76Å; L214-Y223 PolarHBondContact O-N 2.93Å; Y216-Y223 AromaticContact CD2-CD2 3.77Å; Y216-Y223 HydrophobicContact CD2-CD2 3.77Å; Y216-Y223 HydrophobicContact CD2-CE2 4.49Å; Y216-Y223 AromaticContact CD2-CG 4Å; Y216-Y223 HydrophobicContact CD2-CG 4Å; Y216-Y223 HydrophobicContact CE2-CD2 4.25Å; Y216-Y223 AromaticContact CE2-CG 3.99Å; Y216-Y223 HydrophobicContact CE2-CG 3.99Å; C219-Y223 HydrophobicContact CB-CE2 3.8Å; E221-Y223 HydrophobicContact CB-CE2 4.42Å; E221-Y223 WeakPolarHBondContact O-CD2 3.38Å |
| 224 | P | 94.9 | Very high | 92.4 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 127.8 | 175.3 | 30.5 | -30.6 | 0 | 0 | 0 | 110.9 | G179 L182 R212 V213 | G179-P224 VanDerWaalsContact CA-CD 3.45Å; L182-P224 WeakPolarHBondContact O-CG 3.39Å; R212-P224 WeakPolarHBondContact O-CA 3.37Å; V213-P224 HydrophobicContact CG2-CB 4.45Å |
| 225 | D | 95.6 | Very high | 92.6 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.027 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 158.6 | 176.1 | 65.7 | -30.3 | 0 | 0 | 0 | 111.3 | Y119 T171 F172 R211 R212 | Y119-D225 HydrophobicContact CE2-CB 4.06Å; T171-D225 HydrophobicContact CG2-CB 3.92Å; T171-D225 WeakPolarHBondContact CG2-OD2 3.32Å; F172-D225 CarbonylContact O-C 3.55Å; F172-D225 WeakPolarHBondContact O-CA 3.41Å; R211-D225 CarbonylContact C-O 3.57Å; R211-D225 WeakPolarHBondContact CA-O 3.47Å; R212-D225 VanDerWaalsContact C-OD1 3.27Å; R212-D225 WeakPolarHBondContact CB-OD1 3.31Å; R212-D225 PolarHBondContact N-O 3.46Å; R212-D225 PolarHBondContact O-N 3.42Å; R212-D225 VanDerWaalsContact O-OD1 3.11Å |
| 226 | V | 97 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 116 | 177.2 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | L59 F172 V184 P186 F228 | L59-V226 HydrophobicContact CD2-CB 4.4Å; F172-V226 PolarHBondContact N-O 3.4Å; F172-V226 PolarHBondContact O-N 2.87Å; V184-V226 HydrophobicContact CB-CG2 4.4Å; V184-V226 HydrophobicContact CG1-CG2 3.82Å; P186-V226 HydrophobicContact CB-CG1 3.9Å; P186-V226 HydrophobicContact CG-CG1 4.28Å; V226-F228 HydrophobicContact CB-CE2 4.43Å; V226-F228 HydrophobicContact CG1-CD2 4.12Å; V226-F228 HydrophobicContact CG1-CE2 3.58Å; V226-F228 HydrophobicContact CG1-CZ 3.93Å |
| 227 | T | 97.3 | Very high | 92.6 | Very high | 11 Ų | 11 | 42.1 Ų | 42.1 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 119.2 | 175.5 | -52.5 | 0 | 0 | 0 | 0 | 110.1 | L170 T171 Q210 | L170-T227 CarbonylContact O-C 3.58Å; L170-T227 WeakPolarHBondContact O-CA 3.48Å; T171-T227 PolarHBondContact OG1-OG1 3.19Å; T171-T227 VanDerWaalsContact OG1-OG1 3.08Å; Q210-T227 PolarHBondContact N-O 3.35Å; Q210-T227 PolarHBondContact O-N 2.92Å |
| 228 | F | 97.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 119.3 | 167.5 | -65.2 | -92.6 | 0 | 0 | 0 | 109.2 | L59 V61 G169 L170 F172 A191 M207 P208 A209 V226 | L59-F228 HydrophobicContact CD2-CE2 3.86Å; L59-F228 HydrophobicContact CG-CE2 4.33Å; V61-F228 HydrophobicContact CB-CD1 4.33Å; V61-F228 HydrophobicContact CB-CD2 4.42Å; V61-F228 HydrophobicContact CB-CE1 4.02Å; V61-F228 HydrophobicContact CB-CE2 4.13Å; V61-F228 HydrophobicContact CB-CZ 3.91Å; V61-F228 HydrophobicContact CG2-CD2 3.94Å; V61-F228 HydrophobicContact CG2-CE1 4.27Å; V61-F228 HydrophobicContact CG2-CE2 3.48Å; V61-F228 VanDerWaalsContact CG2-CE2 3.48Å; V61-F228 HydrophobicContact CG2-CZ 3.66Å; G169-F228 CarbonylContact C-O 3.58Å; L170-F228 PolarHBondContact N-O 3.08Å; L170-F228 PolarHBondContact O-N 2.96Å; F172-F228 AromaticContact CD2-CD2 3.87Å; F172-F228 HydrophobicContact CD2-CD2 3.87Å; F172-F228 HydrophobicContact CD2-CE2 4.19Å; F172-F228 HydrophobicContact CE2-CD2 4.1Å; A191-F228 HydrophobicContact CB-CD1 3.74Å; A191-F228 HydrophobicContact CB-CE1 4.06Å; M207-F228 HydrophobicContact CE-CB 3.4Å; M207-F228 VanDerWaalsContact CE-CB 3.4Å; M207-F228 HydrophobicContact CE-CG 4.2Å; M207-F228 HydrophobicContact CG-CB 4.11Å; P208-F228 WeakPolarHBondContact O-CA 3.35Å; A209-F228 HydrophobicContact CB-CD1 3.59Å; A209-F228 HydrophobicContact CB-CE1 3.46Å; A209-F228 VanDerWaalsContact CB-CE1 3.46Å; A209-F228 HydrophobicContact CB-CG 4.43Å; A209-F228 HydrophobicContact CB-CZ 4.18Å; V226-F228 HydrophobicContact CB-CE2 4.43Å; V226-F228 HydrophobicContact CG1-CD2 4.12Å; V226-F228 HydrophobicContact CG1-CE2 3.58Å; V226-F228 HydrophobicContact CG1-CZ 3.93Å |
| 229 | T | 97.5 | Very high | 92.9 | Very high | 33 Ų | 33 | 37.4 Ų | 37.4 | 20% | 0.202 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 108 | -177.1 | -53.6 | 0 | 0 | 0 | 0 | 110.2 | R167 C168 M207 P208 L231 | R167-T229 HydrophobicContact CB-CG2 4.41Å; C168-T229 CarbonylContact O-C 3.55Å; C168-T229 WeakPolarHBondContact O-CA 3.5Å; M207-T229 VanDerWaalsContact CA-O 3.31Å; M207-T229 WeakPolarHBondContact CA-O 3.3Å; P208-T229 WeakPolarHBondContact CD-O 3.43Å; P208-T229 PolarHBondContact O-N 3.27Å; T229-L231 HydrophobicContact CG2-CD2 4.09Å; T229-L231 PolarHBondContact O-N 2.97Å |
| 230 | L | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 120.9 | 175.5 | -172.3 | 62.4 | 0 | 0 | 0 | 110.3 | L63 I66 L76 L78 C168 V204 M207 L232 | L63-L230 HydrophobicContact CD2-CD1 3.73Å; I66-L230 HydrophobicContact CD1-CD2 4.45Å; I66-L230 HydrophobicContact CG1-CD2 4.49Å; L76-L230 HydrophobicContact CD2-CD2 3.95Å; L78-L230 HydrophobicContact CD1-CD2 4.04Å; L78-L230 HydrophobicContact CD2-CD2 3.96Å; C168-L230 PolarHBondContact N-O 3.27Å; C168-L230 PolarHBondContact O-N 3.48Å; V204-L230 HydrophobicContact CG1-CD1 3.9Å; V204-L230 HydrophobicContact CG2-CD1 4.45Å; M207-L230 HydrophobicContact CB-CD1 4.13Å; M207-L230 HydrophobicContact CG-CD1 4.3Å; M207-L230 HydrophobicContact SD-CD1 4.11Å; L230-L232 HydrophobicContact CD1-CD2 4.23Å; L230-L232 HydrophobicContact CD2-CD1 4.08Å; L230-L232 HydrophobicContact CD2-CD2 3.79Å; L230-L232 HydrophobicContact CD2-CG 4.09Å; L230-L232 HydrophobicContact CG-CD1 4.38Å; L230-L232 HydrophobicContact CG-CD2 3.7Å; L230-L232 HydrophobicContact CG-CG 3.91Å |
| 231 | L | 97.2 | Very high | 93.2 | Very high | 48 Ų | 48 | 34.9 Ų | 34.9 | 25% | 0.251 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 113.6 | 179 | -56.4 | 176.4 | 0 | 0 | 0 | 109.4 | R167 L205 G206 P208 T229 | R167-L231 HydrophobicContact CG-CD2 3.87Å; L205-L231 HydrophobicContact CB-CB 4.02Å; L205-L231 PolarHBondContact N-O 3.36Å; G206-L231 WeakPolarHBondContact O-CB 3.45Å; G206-L231 PolarHBondContact O-N 3.05Å; P208-L231 HydrophobicContact CG-CD1 4.32Å; T229-L231 HydrophobicContact CG2-CD2 4.09Å; T229-L231 PolarHBondContact O-N 2.97Å |
| 232 | L | 96.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 145.6 | -173.8 | -59.2 | 174.7 | 0 | 0 | 0 | 111.3 | I66 M69 A165 Q166 W202 V204 L230 | I66-L232 HydrophobicContact CD1-CD2 3.64Å; M69-L232 HydrophobicContact CE-CD1 3.44Å; M69-L232 VanDerWaalsContact CE-CD1 3.44Å; A165-L232 CarbonylContact C-O 3.52Å; A165-L232 VanDerWaalsContact CA-O 3.25Å; A165-L232 WeakPolarHBondContact CA-O 3.19Å; Q166-L232 HydrophobicContact CB-CB 4.25Å; Q166-L232 PolarHBondContact N-O 3.48Å; Q166-L232 PolarHBondContact O-N 3.39Å; W202-L232 HydrophobicContact CB-CD2 4.31Å; W202-L232 HydrophobicContact CD2-CB 4.38Å; W202-L232 HydrophobicContact CD2-CD1 4.4Å; W202-L232 HydrophobicContact CE3-CB 3.63Å; W202-L232 HydrophobicContact CE3-CD1 4.37Å; W202-L232 HydrophobicContact CZ3-CB 4.06Å; V204-L232 HydrophobicContact CG2-CD2 3.87Å; L230-L232 HydrophobicContact CD1-CD2 4.23Å; L230-L232 HydrophobicContact CD2-CD1 4.08Å; L230-L232 HydrophobicContact CD2-CD2 3.79Å; L230-L232 HydrophobicContact CD2-CG 4.09Å; L230-L232 HydrophobicContact CG-CD1 4.38Å; L230-L232 HydrophobicContact CG-CD2 3.7Å; L230-L232 HydrophobicContact CG-CG 3.91Å |
| 233 | H | 95.3 | Very high | 93 | Very high | 72 Ų | 72 | 36.4 Ų | 36.4 | 33% | 0.333 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 129.7 | 170.1 | -172.9 | 60.9 | 0 | 0 | 0 | 110.2 | D164 R203 L205 | D164-H233 PolarHBondContact O-ND1 3.36Å; R203-H233 WeakPolarHBondContact CB-O 3.4Å; R203-H233 PolarHBondContact N-O 3.23Å; R203-H233 PolarHBondContact O-N 3.42Å; L205-H233 HydrophobicContact CD1-CB 4.3Å; L205-H233 HydrophobicContact CG-CB 4.44Å |
| 234 | R | 93.4 | Very high | 92.7 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 2% | 0.019 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 140.1 | -174 | -167.7 | -179.7 | -58.9 | -99.4 | 4.3 | 111.7 | E71 P162 D164 E201 W202 A236 Y239 | E71-R234 IonicContact OE1-CZ 3.96Å; E71-R234 VanDerWaalsContact OE1-CZ 3.25Å; E71-R234 IonicContact OE1-NH1 3.6Å; E71-R234 PolarHBondContact OE1-NH1 2.85Å; E71-R234 IonicContact OE1-NH2 3.12Å; E71-R234 PolarHBondContact OE1-NH2 3.01Å; P162-R234 WeakPolarHBondContact O-CD 3.3Å; D164-R234 PolarHBondContact O-N 3Å; D164-R234 WeakPolarHBondContact OD1-CD 3.32Å; D164-R234 IonicContact OD1-CZ 3.02Å; D164-R234 IonicContact OD1-NE 3.89Å; D164-R234 PolarHBondContact OD1-NE 3.49Å; D164-R234 IonicContact OD1-NH2 3.26Å; D164-R234 IonicContact OD2-CZ 3.59Å; D164-R234 IonicContact OD2-NE 2.83Å; D164-R234 PolarHBondContact OD2-NE 3.11Å; D164-R234 IonicContact OD2-NH2 3.84Å; D164-R234 PolarHBondContact OD2-NH2 3.28Å; D164-R234 VanDerWaalsContact OD2-NH2 3.12Å; E201-R234 IonicContact OE1-CZ 3.7Å; E201-R234 IonicContact OE1-NH1 3.68Å; E201-R234 PolarHBondContact OE1-NH1 3.5Å; W202-R234 HydrophobicContact CE3-CB 4.14Å; W202-R234 HydrophobicContact CH2-CB 4.25Å; W202-R234 VanDerWaalsContact CH2-NH2 3.28Å; W202-R234 VanDerWaalsContact CZ2-CZ 3.43Å; W202-R234 VanDerWaalsContact CZ2-NH2 3.31Å; W202-R234 HydrophobicContact CZ3-CB 3.82Å; R234-A236 PolarHBondContact O-N 3.42Å; R234-Y239 HydrophobicContact CG-CE2 4.18Å; R234-Y239 PolarHBondContact NH1-OH 3.18Å |
| 235 | R | 93.2 | Very high | 92.3 | Very high | 104 Ų | 104 | 39.5 Ų | 39.5 | 39% | 0.392 | 22% | 0.223 | S | C | . | . | trans | -85.2 | 89.8 | 170 | -65.8 | 173.8 | -179.6 | -93.6 | 12.7 | 108.8 | E198 N199 V200 E201 A237 | E198-R235 IonicContact OE2-NH2 2.83Å; E198-R235 PolarHBondContact OE2-NH2 2.84Å; N199-R235 PolarHBondContact O-NE 2.89Å; V200-R235 WeakPolarHBondContact O-CD 3.38Å; E201-R235 WeakPolarHBondContact O-CB 3.45Å; E201-R235 PolarHBondContact O-N 2.81Å; R235-A237 VanDerWaalsContact C-N 3.28Å; R235-A237 PolarHBondContact O-N 3.36Å | ||
| 236 | A | 90.3 | Very high | 92.1 | Very high | 12 Ų | 12 | 41 Ų | 41 | 10% | 0.099 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -15.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | P162 F163 R234 A238 Y239 V240 | P162-A236 HydrophobicContact CB-CB 4.12Å; P162-A236 HydrophobicContact CG-CB 4.07Å; P162-A236 WeakPolarHBondContact O-CB 3.24Å; F163-A236 HydrophobicContact CD1-CB 3.58Å; F163-A236 HydrophobicContact CE1-CB 3.33Å; F163-A236 HydrophobicContact CG-CB 4.46Å; F163-A236 HydrophobicContact CZ-CB 4.02Å; R234-A236 PolarHBondContact O-N 3.42Å; A236-A238 VanDerWaalsContact C-N 3.34Å; A236-A238 PolarHBondContact O-N 2.87Å; A236-Y239 WeakPolarHBondContact O-CB 3.44Å; A236-Y239 PolarHBondContact O-N 3.18Å; A236-V240 HydrophobicContact CB-CG2 4.48Å; A236-V240 WeakPolarHBondContact O-CG2 3.48Å; A236-V240 PolarHBondContact O-N 3.16Å |
| 237 | A | 87.9 | Confident | 91.6 | Very high | 71 Ų | 71 | 41 Ų | 41 | 59% | 0.587 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -56.4 | -42 | -168 | 0 | 0 | 0 | 0 | 0 | 113.9 | R235 V240 C241 | R235-A237 VanDerWaalsContact C-N 3.28Å; R235-A237 PolarHBondContact O-N 3.36Å; A237-V240 PolarHBondContact O-N 3.22Å; A237-C241 PolarHBondContact O-N 3.07Å; A237-C241 PolarHBondContact O-SG 3.48Å |
| 238 | A | 88.5 | Confident | 91.2 | Very high | 56 Ų | 56 | 41.2 Ų | 41.2 | 46% | 0.463 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.1 | -40.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | A236 C241 N242 | A236-A238 VanDerWaalsContact C-N 3.34Å; A236-A238 PolarHBondContact O-N 2.87Å; A238-C241 PolarHBondContact O-N 2.7Å; A238-N242 VanDerWaalsContact O-CB 3.22Å; A238-N242 WeakPolarHBondContact O-CB 3.16Å; A238-N242 VanDerWaalsContact O-CG 3.31Å; A238-N242 PolarHBondContact O-N 2.86Å; A238-N242 PolarHBondContact O-ND2 2.76Å |
| 239 | Y | 88.9 | Confident | 90.9 | Very high | 52 Ų | 52 | 45.7 Ų | 45.7 | 20% | 0.204 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.2 | -37.8 | 177.1 | -59.4 | -87.3 | 0 | 0 | 0 | 111.6 | F161 P162 E201 R234 A236 L243 L244 | F161-Y239 HydrophobicContact CE1-CD1 4.27Å; F161-Y239 HydrophobicContact CE2-CD1 4.4Å; F161-Y239 HydrophobicContact CE2-CE1 4.28Å; F161-Y239 AromaticContact CZ-CD1 3.56Å; F161-Y239 HydrophobicContact CZ-CD1 3.56Å; F161-Y239 AromaticContact CZ-CE1 3.78Å; F161-Y239 HydrophobicContact CZ-CE1 3.78Å; F161-Y239 HydrophobicContact CZ-CG 4.22Å; P162-Y239 HydrophobicContact CB-CD2 4.26Å; P162-Y239 HydrophobicContact CB-CG 4.01Å; E201-Y239 HydrophobicContact CG-CE2 4.28Å; E201-Y239 PolarHBondContact OE1-OH 3.15Å; R234-Y239 HydrophobicContact CG-CE2 4.18Å; R234-Y239 PolarHBondContact NH1-OH 3.18Å; A236-Y239 WeakPolarHBondContact O-CB 3.44Å; A236-Y239 PolarHBondContact O-N 3.18Å; Y239-L243 HydrophobicContact CD1-CD1 3.81Å; Y239-L243 WeakPolarHBondContact O-CA 3.44Å; Y239-L243 VanDerWaalsContact O-CB 3.25Å; Y239-L243 WeakPolarHBondContact O-CB 3.48Å; Y239-L243 PolarHBondContact O-N 2.85Å; Y239-L244 PolarHBondContact O-N 3.31Å; Y239-L244 VanDerWaalsContact O-N 3.15Å |
| 240 | V | 88.3 | Confident | 90.5 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 22% | 0.218 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -63.1 | -47.1 | 174.8 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | F163 A236 A237 L244 L245 | F163-V240 HydrophobicContact CE1-CG2 4.26Å; F163-V240 HydrophobicContact CZ-CG2 3.69Å; A236-V240 HydrophobicContact CB-CG2 4.48Å; A236-V240 WeakPolarHBondContact O-CG2 3.48Å; A236-V240 PolarHBondContact O-N 3.16Å; A237-V240 PolarHBondContact O-N 3.22Å; V240-L244 HydrophobicContact CG1-CD2 4.3Å; V240-L244 WeakPolarHBondContact O-CB 3.38Å; V240-L244 PolarHBondContact O-N 3.34Å; V240-L245 PolarHBondContact O-N 3.45Å |
| 241 | C | 88.2 | Confident | 90.1 | Very high | 74 Ų | 74 | 45.4 Ų | 45.4 | 50% | 0.5 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -71.3 | -37.5 | -179.4 | -68.2 | 0 | 0 | 0 | 0 | 113.6 | A237 A238 P246 | A237-C241 PolarHBondContact O-N 3.07Å; A237-C241 PolarHBondContact O-SG 3.48Å; A238-C241 PolarHBondContact O-N 2.7Å; C241-P246 WeakPolarHBondContact O-CD 3.36Å |
| 242 | N | 87.7 | Confident | 89.6 | Confident | 114 Ų | 114 | 45.7 Ų | 45.7 | 61% | 0.61 | 26% | 0.256 | S | S | * | . | I | π-helix | trans | -97.8 | -25.2 | -171.1 | -63.1 | -20 | 0 | 0 | 0 | 114 | A238 | A238-N242 VanDerWaalsContact O-CB 3.22Å; A238-N242 WeakPolarHBondContact O-CB 3.16Å; A238-N242 VanDerWaalsContact O-CG 3.31Å; A238-N242 PolarHBondContact O-N 2.86Å; A238-N242 PolarHBondContact O-ND2 2.76Å |
| 243 | L | 86.3 | Confident | 89.2 | Confident | 26 Ų | 26 | 49.5 Ų | 49.5 | 14% | 0.136 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -109.3 | -52.5 | 178.3 | -60.5 | 173.6 | 0 | 0 | 0 | 111.5 | Y239 C247 L284 L285 | Y239-L243 HydrophobicContact CD1-CD1 3.81Å; Y239-L243 WeakPolarHBondContact O-CA 3.44Å; Y239-L243 VanDerWaalsContact O-CB 3.25Å; Y239-L243 WeakPolarHBondContact O-CB 3.48Å; Y239-L243 PolarHBondContact O-N 2.85Å; L243-C247 PolarHBondContact O-SG 3.41Å; L243-L284 HydrophobicContact CD2-CD2 4.14Å; L243-L285 HydrophobicContact CD1-CD1 4.49Å |
| 244 | L | 86.9 | Confident | 88.8 | Confident | 10 Ų | 10 | 46.2 Ų | 46.2 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -73.1 | -48.9 | -172.2 | -173.7 | 66.2 | 0 | 0 | 0 | 112.4 | Y239 V240 C247 V248 I298 V445 A449 | Y239-L244 PolarHBondContact O-N 3.31Å; Y239-L244 VanDerWaalsContact O-N 3.15Å; V240-L244 HydrophobicContact CG1-CD2 4.3Å; V240-L244 WeakPolarHBondContact O-CB 3.38Å; V240-L244 PolarHBondContact O-N 3.34Å; L244-C247 PolarHBondContact O-N 3.09Å; L244-C247 VanDerWaalsContact O-N 3.12Å; L244-V248 HydrophobicContact CD1-CG2 4.4Å; L244-V248 HydrophobicContact CG-CG2 4.33Å; L244-V248 WeakPolarHBondContact O-CG2 3.5Å; L244-V248 PolarHBondContact O-N 3.39Å; L244-I298 HydrophobicContact CD1-CD1 3.65Å; L244-V445 HydrophobicContact CD1-CG1 3.61Å; L244-V445 HydrophobicContact CD2-CG1 4.15Å; L244-A449 HydrophobicContact CD2-CB 4.42Å |
| 245 | L | 88 | Confident | 88.5 | Confident | 95 Ų | 95 | 46 Ų | 46 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.1 | -48 | -175.2 | 179.9 | 69.8 | 0 | 0 | 0 | 113.2 | V240 C247 V248 L249 | V240-L245 PolarHBondContact O-N 3.45Å; L245-C247 PolarHBondContact O-N 3.5Å; L245-V248 PolarHBondContact O-N 2.83Å; L245-L249 HydrophobicContact CG-CD1 4.4Å; L245-L249 WeakPolarHBondContact O-CG 3.39Å; L245-L249 PolarHBondContact O-N 3.2Å |
| 246 | P | 89.9 | Confident | 88.2 | Confident | 37 Ų | 37 | 45 Ų | 45 | 24% | 0.24 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.3 | -35.5 | 175.2 | -25.5 | 36 | 0 | 0 | 0 | 112.6 | C241 L249 I250 F281 | C241-P246 WeakPolarHBondContact O-CD 3.36Å; P246-L249 PolarHBondContact O-N 3.4Å; P246-I250 WeakPolarHBondContact O-CB 3.44Å; P246-I250 WeakPolarHBondContact O-CD1 3.36Å; P246-I250 WeakPolarHBondContact O-CG1 3.25Å; P246-I250 PolarHBondContact O-N 3.18Å; P246-F281 HydrophobicContact CB-CZ 4.11Å |
| 247 | C | 87.8 | Confident | 88 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -76 | -36.4 | -177.3 | -63.4 | 0 | 0 | 0 | 0 | 112.5 | L243 L244 L245 L249 I250 S251 Y301 Y302 | L243-C247 PolarHBondContact O-SG 3.41Å; L244-C247 PolarHBondContact O-N 3.09Å; L244-C247 VanDerWaalsContact O-N 3.12Å; L245-C247 PolarHBondContact O-N 3.5Å; C247-L249 VanDerWaalsContact C-N 3.34Å; C247-I250 PolarHBondContact O-N 3.3Å; C247-S251 VanDerWaalsContact O-CB 3.3Å; C247-S251 WeakPolarHBondContact O-CB 3.28Å; C247-S251 PolarHBondContact O-N 3.23Å; C247-S251 PolarHBondContact O-OG 3.21Å; C247-Y301 HydrophobicContact CB-CE1 4.44Å; C247-Y302 HydrophobicContact CB-CE1 3.9Å; C247-Y302 WeakPolarHBondContact SG-CE1 3.48Å; C247-Y302 VanDerWaalsContact SG-CZ 3.53Å; C247-Y302 PolarHBondContact SG-OH 3.37Å |
| 248 | V | 89.2 | Confident | 87.9 | Confident | 15 Ų | 15 | 41.4 Ų | 41.4 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.9 | -47 | 168.7 | 172 | 0 | 0 | 0 | 0 | 109.7 | L244 L245 I250 S251 L252 L446 | L244-V248 HydrophobicContact CD1-CG2 4.4Å; L244-V248 HydrophobicContact CG-CG2 4.33Å; L244-V248 WeakPolarHBondContact O-CG2 3.5Å; L244-V248 PolarHBondContact O-N 3.39Å; L245-V248 PolarHBondContact O-N 2.83Å; V248-I250 PolarHBondContact O-N 3.38Å; V248-S251 PolarHBondContact O-N 3.04Å; V248-S251 PolarHBondContact O-OG 3.38Å; V248-L252 HydrophobicContact CG1-CD1 4.14Å; V248-L252 WeakPolarHBondContact O-CG 3.44Å; V248-L252 PolarHBondContact O-N 2.97Å; V248-L446 HydrophobicContact CG2-CD1 4.35Å |
| 249 | L | 89.9 | Confident | 87.8 | Confident | 98 Ų | 98 | 45.4 Ų | 45.4 | 51% | 0.513 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 177.6 | -67.4 | 172.2 | 0 | 0 | 0 | 112.2 | L245 P246 C247 S251 L252 L253 | L245-L249 HydrophobicContact CG-CD1 4.4Å; L245-L249 WeakPolarHBondContact O-CG 3.39Å; L245-L249 PolarHBondContact O-N 3.2Å; P246-L249 PolarHBondContact O-N 3.4Å; C247-L249 VanDerWaalsContact C-N 3.34Å; L249-S251 VanDerWaalsContact C-N 3.33Å; L249-S251 PolarHBondContact O-N 2.94Å; L249-L252 PolarHBondContact O-N 3.14Å; L249-L253 WeakPolarHBondContact O-CG 3.26Å; L249-L253 PolarHBondContact O-N 2.7Å; L249-L253 VanDerWaalsContact O-N 3.08Å |
| 250 | I | 90.2 | Very high | 87.8 | Confident | 27 Ų | 27 | 45.6 Ų | 45.6 | 14% | 0.138 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 177.6 | -69 | 164.8 | 0 | 0 | 0 | 111.3 | P246 C247 V248 L252 L253 A254 V274 A277 L278 F281 | P246-I250 WeakPolarHBondContact O-CB 3.44Å; P246-I250 WeakPolarHBondContact O-CD1 3.36Å; P246-I250 WeakPolarHBondContact O-CG1 3.25Å; P246-I250 PolarHBondContact O-N 3.18Å; C247-I250 PolarHBondContact O-N 3.3Å; V248-I250 PolarHBondContact O-N 3.38Å; I250-L252 VanDerWaalsContact C-N 3.29Å; I250-L252 PolarHBondContact O-N 3.45Å; I250-L253 WeakPolarHBondContact O-CB 3.49Å; I250-L253 PolarHBondContact O-N 3.47Å; I250-L253 VanDerWaalsContact O-N 3.15Å; I250-A254 PolarHBondContact O-N 3.47Å; I250-V274 HydrophobicContact CG2-CB 4.48Å; I250-V274 HydrophobicContact CG2-CG1 3.73Å; I250-A277 HydrophobicContact CD1-CB 4.27Å; I250-L278 HydrophobicContact CB-CD2 4.49Å; I250-L278 HydrophobicContact CG2-CD1 4.46Å; I250-L278 HydrophobicContact CG2-CD2 3.92Å; I250-L278 HydrophobicContact CG2-CG 3.87Å; I250-F281 HydrophobicContact CD1-CD2 3.97Å; I250-F281 HydrophobicContact CD1-CE2 3.5Å; I250-F281 HydrophobicContact CD1-CZ 4.49Å |
| 251 | S | 87.8 | Confident | 87.6 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.8 | -34.3 | 176.7 | 79.3 | 0 | 0 | 0 | 0 | 112.5 | C247 V248 L249 A254 P255 Y301 S442 | C247-S251 VanDerWaalsContact O-CB 3.3Å; C247-S251 WeakPolarHBondContact O-CB 3.28Å; C247-S251 PolarHBondContact O-N 3.23Å; C247-S251 PolarHBondContact O-OG 3.21Å; V248-S251 PolarHBondContact O-N 3.04Å; V248-S251 PolarHBondContact O-OG 3.38Å; L249-S251 VanDerWaalsContact C-N 3.33Å; L249-S251 PolarHBondContact O-N 2.94Å; S251-A254 PolarHBondContact O-N 3.36Å; S251-P255 WeakPolarHBondContact O-CD 3.44Å; S251-Y301 PolarHBondContact OG-OH 2.93Å; S251-S442 PolarHBondContact OG-OG 3.37Å |
| 252 | L | 87.8 | Confident | 87.3 | Confident | 53 Ų | 53 | 44.1 Ų | 44.1 | 28% | 0.277 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -75.6 | -23.3 | 175.6 | -67.1 | 172.6 | 0 | 0 | 0 | 112.7 | V248 L249 I250 A254 P255 | V248-L252 HydrophobicContact CG1-CD1 4.14Å; V248-L252 WeakPolarHBondContact O-CG 3.44Å; V248-L252 PolarHBondContact O-N 2.97Å; L249-L252 PolarHBondContact O-N 3.14Å; I250-L252 VanDerWaalsContact C-N 3.29Å; I250-L252 PolarHBondContact O-N 3.45Å; L252-A254 VanDerWaalsContact C-N 3.34Å; L252-P255 WeakPolarHBondContact O-CD 3.41Å |
| 253 | L | 88.7 | Confident | 87 | Confident | 81 Ų | 81 | 44.3 Ų | 44.3 | 42% | 0.424 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -71.8 | -27.3 | 171.7 | -67.8 | 175.2 | 0 | 0 | 0 | 112.3 | L249 I250 L256 V274 | L249-L253 WeakPolarHBondContact O-CG 3.26Å; L249-L253 PolarHBondContact O-N 2.7Å; L249-L253 VanDerWaalsContact O-N 3.08Å; I250-L253 WeakPolarHBondContact O-CB 3.49Å; I250-L253 PolarHBondContact O-N 3.47Å; I250-L253 VanDerWaalsContact O-N 3.15Å; L253-L256 HydrophobicContact CD2-CD1 3.79Å; L253-L256 WeakPolarHBondContact O-CB 3.41Å; L253-L256 PolarHBondContact O-N 3.15Å; L253-V274 HydrophobicContact CB-CG2 4.43Å |
| 254 | A | 86.1 | Confident | 86.8 | Confident | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.033 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -46.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I250 S251 L252 L256 A257 V274 V309 | I250-A254 PolarHBondContact O-N 3.47Å; S251-A254 PolarHBondContact O-N 3.36Å; L252-A254 VanDerWaalsContact C-N 3.34Å; A254-L256 VanDerWaalsContact C-N 3.27Å; A254-L256 PolarHBondContact O-N 3.08Å; A254-A257 VanDerWaalsContact O-CB 3.32Å; A254-A257 WeakPolarHBondContact O-CB 3.4Å; A254-A257 PolarHBondContact O-N 3.45Å; A254-V274 HydrophobicContact CB-CG1 3.98Å; A254-V309 HydrophobicContact CB-CG2 3.76Å |
| 255 | P | 86.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.5 | -29.4 | 174.5 | -22.4 | 33.1 | 0 | 0 | 0 | 113.3 | S251 L252 A257 F258 L431 F434 F435 A438 | S251-P255 WeakPolarHBondContact O-CD 3.44Å; L252-P255 WeakPolarHBondContact O-CD 3.41Å; P255-A257 PolarHBondContact O-N 3.02Å; P255-A257 VanDerWaalsContact O-N 3.08Å; P255-F258 PolarHBondContact O-N 3.23Å; P255-L431 HydrophobicContact CB-CD1 4.08Å; P255-L431 WeakPolarHBondContact O-CD1 3.35Å; P255-F434 HydrophobicContact CB-CB 4.33Å; P255-F434 HydrophobicContact CG-CB 4.24Å; P255-F435 HydrophobicContact CB-CB 3.99Å; P255-F435 HydrophobicContact CB-CD2 4.27Å; P255-F435 HydrophobicContact CG-CB 4.31Å; P255-F435 HydrophobicContact CG-CD2 4.47Å; P255-A438 HydrophobicContact CG-CB 4.16Å |
| 256 | L | 86.5 | Confident | 86.6 | Confident | 84 Ų | 84 | 48.6 Ų | 48.6 | 44% | 0.44 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.4 | -20.6 | 178.6 | -66 | 172.9 | 0 | 0 | 0 | 112.7 | L253 A254 F258 H259 L260 | L253-L256 HydrophobicContact CD2-CD1 3.79Å; L253-L256 WeakPolarHBondContact O-CB 3.41Å; L253-L256 PolarHBondContact O-N 3.15Å; A254-L256 VanDerWaalsContact C-N 3.27Å; A254-L256 PolarHBondContact O-N 3.08Å; L256-F258 PolarHBondContact O-N 3.2Å; L256-H259 WeakPolarHBondContact O-CB 3.49Å; L256-H259 PolarHBondContact O-N 3.39Å; L256-L260 PolarHBondContact O-N 3.39Å |
| 257 | A | 85.9 | Confident | 86.6 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -32.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A254 P255 H259 L260 K267 L270 | A254-A257 VanDerWaalsContact O-CB 3.32Å; A254-A257 WeakPolarHBondContact O-CB 3.4Å; A254-A257 PolarHBondContact O-N 3.45Å; P255-A257 PolarHBondContact O-N 3.02Å; P255-A257 VanDerWaalsContact O-N 3.08Å; A257-H259 VanDerWaalsContact C-N 3.29Å; A257-H259 PolarHBondContact O-N 3.44Å; A257-L260 PolarHBondContact O-N 2.87Å; A257-K267 VanDerWaalsContact O-CE 3.3Å; A257-K267 WeakPolarHBondContact O-CE 3.46Å; A257-K267 WeakPolarHBondContact O-CG 3.21Å; A257-L270 HydrophobicContact CB-CD2 3.98Å; A257-L270 HydrophobicContact CB-CG 4.49Å |
| 258 | F | 87.4 | Confident | 86.7 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 2% | 0.022 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -16.6 | 175.6 | -65.2 | -74.4 | 0 | 0 | 0 | 113.4 | P255 L256 S312 T316 I319 D427 F430 L431 F434 | P255-F258 PolarHBondContact O-N 3.23Å; L256-F258 PolarHBondContact O-N 3.2Å; F258-S312 WeakPolarHBondContact CE2-OG 3.11Å; F258-S312 VanDerWaalsContact CZ-OG 3.28Å; F258-S312 WeakPolarHBondContact CZ-OG 3.43Å; F258-T316 HydrophobicContact CD1-CG2 3.8Å; F258-T316 HydrophobicContact CE1-CG2 3.36Å; F258-T316 HydrophobicContact CE2-CG2 4.45Å; F258-T316 HydrophobicContact CG-CG2 4.49Å; F258-T316 HydrophobicContact CZ-CG2 3.73Å; F258-I319 HydrophobicContact CD1-CD1 4.27Å; F258-I319 HydrophobicContact CE1-CD1 4.08Å; F258-D427 WeakPolarHBondContact CD1-OD1 3.41Å; F258-D427 WeakPolarHBondContact O-CB 3.43Å; F258-F430 HydrophobicContact CD1-CB 4.16Å; F258-F430 HydrophobicContact CE1-CB 3.95Å; F258-F430 HydrophobicContact CE2-CB 4.49Å; F258-F430 HydrophobicContact CZ-CB 4.14Å; F258-L431 HydrophobicContact CB-CB 3.83Å; F258-L431 HydrophobicContact CB-CD1 4.22Å; F258-F434 HydrophobicContact CD2-CD2 4.21Å; F258-F434 HydrophobicContact CE2-CB 4.36Å; F258-F434 AromaticContact CE2-CD2 3.31Å; F258-F434 HydrophobicContact CE2-CD2 3.31Å; F258-F434 AromaticContact CE2-CE2 3.85Å; F258-F434 HydrophobicContact CE2-CE2 3.85Å; F258-F434 HydrophobicContact CE2-CG 4.07Å; F258-F434 AromaticContact CZ-CD2 3.67Å; F258-F434 HydrophobicContact CZ-CD2 3.67Å; F258-F434 AromaticContact CZ-CE2 3.71Å; F258-F434 HydrophobicContact CZ-CE2 3.71Å |
| 259 | H | 86.4 | Confident | 86.7 | Confident | 139 Ų | 139 | 50.7 Ų | 50.7 | 64% | 0.644 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -21.3 | 174.1 | -162.5 | -56.3 | 0 | 0 | 0 | 111.9 | L256 A257 L431 | L256-H259 WeakPolarHBondContact O-CB 3.49Å; L256-H259 PolarHBondContact O-N 3.39Å; A257-H259 VanDerWaalsContact C-N 3.29Å; A257-H259 PolarHBondContact O-N 3.44Å; H259-L431 HydrophobicContact CB-CD2 4.4Å |
| 260 | L | 87.3 | Confident | 86.8 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 29% | 0.293 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -73.8 | 129.7 | -179.4 | -159.9 | 74.9 | 0 | 0 | 0 | 110.6 | L256 A257 E266 K267 | L256-L260 PolarHBondContact O-N 3.39Å; A257-L260 PolarHBondContact O-N 2.87Å; L260-E266 HydrophobicContact CD2-CB 4.01Å; L260-K267 HydrophobicContact CD2-CB 4.36Å |
| 261 | P | 85.7 | Confident | 86.7 | Confident | 72 Ų | 72 | 47.6 Ų | 47.6 | 47% | 0.468 | 27% | 0.272 | S | S | . | . | trans | -64.4 | 140.6 | 178.5 | 26.2 | -32.9 | 0 | 0 | 0 | 111 | D263 S264 | P261-D263 PolarHBondContact O-N 3.32Å; P261-S264 WeakPolarHBondContact O-CB 3.36Å; P261-S264 PolarHBondContact O-N 2.97Å; P261-S264 VanDerWaalsContact O-N 3.15Å | ||
| 262 | A | 81.5 | Confident | 86.9 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 7% | 0.066 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -57.8 | -30 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S264 G265 M320 H323 Y324 | A262-S264 PolarHBondContact O-N 3.3Å; A262-S264 VanDerWaalsContact O-N 3.16Å; A262-G265 PolarHBondContact O-N 2.98Å; A262-M320 HydrophobicContact CB-CE 4.29Å; A262-M320 HydrophobicContact CB-SD 3.4Å; A262-M320 WeakPolarHBondContact CB-SD 3.25Å; A262-H323 HydrophobicContact CB-CB 4.27Å; A262-H323 VanDerWaalsContact CB-CD2 3.48Å; A262-H323 WeakPolarHBondContact CB-CD2 3.47Å; A262-Y324 PolarHBondContact O-OH 3Å |
| 263 | D | 81.1 | Confident | 87.2 | Confident | 117 Ų | 117 | 52.2 Ų | 52.2 | 63% | 0.626 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -65.5 | -17.3 | -178.9 | -56.8 | -32.3 | 0 | 0 | 0 | 113.3 | P261 G265 H323 | P261-D263 PolarHBondContact O-N 3.32Å; D263-G265 VanDerWaalsContact C-N 3.34Å; D263-H323 IonicContact OD1-CD2 2.88Å; D263-H323 IonicContact OD1-CE1 2.75Å; D263-H323 IonicContact OD1-NE2 2.63Å; D263-H323 PolarHBondContact OD1-NE2 2.86Å |
| 264 | S | 83.3 | Confident | 87.3 | Confident | 62 Ų | 62 | 48.7 Ų | 48.7 | 43% | 0.434 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -74.4 | -18.8 | 177.3 | -64.9 | 0 | 0 | 0 | 0 | 114 | P261 A262 E266 | P261-S264 WeakPolarHBondContact O-CB 3.36Å; P261-S264 PolarHBondContact O-N 2.97Å; P261-S264 VanDerWaalsContact O-N 3.15Å; A262-S264 PolarHBondContact O-N 3.3Å; A262-S264 VanDerWaalsContact O-N 3.16Å; S264-E266 PolarHBondContact O-N 3.03Å |
| 265 | G | 83.1 | Confident | 87.6 | Confident | 44 Ų | 44 | 50.7 Ų | 50.7 | 45% | 0.454 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 69.7 | -24.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | A262 D263 K267 | A262-G265 PolarHBondContact O-N 2.98Å; D263-G265 VanDerWaalsContact C-N 3.34Å; G265-K267 PolarHBondContact O-N 2.93Å |
| 266 | E | 87.5 | Confident | 87.9 | Confident | 115 Ų | 115 | 56.1 Ų | 56.1 | 54% | 0.537 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -75.5 | -4.6 | -177.3 | -64.6 | -54.1 | 137.6 | 0 | 0 | 114.8 | L260 S264 V268 S269 L270 | L260-E266 HydrophobicContact CD2-CB 4.01Å; S264-E266 PolarHBondContact O-N 3.03Å; E266-V268 PolarHBondContact O-N 3.38Å; E266-S269 WeakPolarHBondContact O-CB 3.44Å; E266-S269 PolarHBondContact O-N 3.07Å; E266-S269 WeakPolarHBondContact OE2-CB 3.37Å; E266-S269 PolarHBondContact OE2-OG 3.4Å; E266-L270 PolarHBondContact O-N 2.93Å |
| 267 | K | 88.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.7 | -44.4 | -175.3 | -177.5 | 171.7 | -178.2 | -176.9 | 0 | 113.3 | A257 L260 G265 G271 M320 D427 | A257-K267 VanDerWaalsContact O-CE 3.3Å; A257-K267 WeakPolarHBondContact O-CE 3.46Å; A257-K267 WeakPolarHBondContact O-CG 3.21Å; L260-K267 HydrophobicContact CD2-CB 4.36Å; G265-K267 PolarHBondContact O-N 2.93Å; K267-G271 PolarHBondContact O-N 3.05Å; K267-M320 HydrophobicContact CD-CG 4.43Å; K267-M320 HydrophobicContact CD-SD 4.04Å; K267-D427 IonicContact NZ-OD1 3.24Å; K267-D427 PolarHBondContact NZ-OD1 3.46Å; K267-D427 IonicContact NZ-OD2 2.91Å; K267-D427 PolarHBondContact NZ-OD2 3.23Å |
| 268 | V | 89.4 | Confident | 88.5 | Confident | 44 Ų | 44 | 53.6 Ų | 53.6 | 27% | 0.267 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -74.3 | -37.9 | 178.1 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | E266 L270 G271 V272 I317 M320 | E266-V268 PolarHBondContact O-N 3.38Å; V268-L270 VanDerWaalsContact C-N 3.34Å; V268-L270 PolarHBondContact O-N 3Å; V268-G271 PolarHBondContact O-N 3.31Å; V268-V272 HydrophobicContact CG1-CG2 4.29Å; V268-V272 WeakPolarHBondContact O-CG2 3.44Å; V268-V272 PolarHBondContact O-N 3.36Å; V268-I317 HydrophobicContact CG1-CD1 4.44Å; V268-I317 HydrophobicContact CG1-CG1 4.12Å; V268-I317 HydrophobicContact CG2-CG1 4.14Å; V268-M320 HydrophobicContact CG2-CG 4.22Å |
| 269 | S | 90.8 | Very high | 88.7 | Confident | 53 Ų | 53 | 56.5 Ų | 56.5 | 37% | 0.371 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.7 | -45.4 | 176 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | E266 G271 V272 T273 | E266-S269 WeakPolarHBondContact O-CB 3.44Å; E266-S269 PolarHBondContact O-N 3.07Å; E266-S269 WeakPolarHBondContact OE2-CB 3.37Å; E266-S269 PolarHBondContact OE2-OG 3.4Å; S269-G271 PolarHBondContact O-N 3.06Å; S269-V272 PolarHBondContact O-N 3Å; S269-T273 WeakPolarHBondContact O-CB 3.22Å; S269-T273 VanDerWaalsContact O-CG2 3.28Å; S269-T273 WeakPolarHBondContact O-CG2 3.26Å; S269-T273 PolarHBondContact O-N 2.93Å; S269-T273 PolarHBondContact O-OG1 3.5Å |
| 270 | L | 91.1 | Very high | 88.9 | Confident | 55 Ų | 55 | 54.2 Ų | 54.2 | 29% | 0.288 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 175.9 | -176.5 | 64.9 | 0 | 0 | 0 | 112.6 | A257 E266 V268 T273 V274 | A257-L270 HydrophobicContact CB-CD2 3.98Å; A257-L270 HydrophobicContact CB-CG 4.49Å; E266-L270 PolarHBondContact O-N 2.93Å; V268-L270 VanDerWaalsContact C-N 3.34Å; V268-L270 PolarHBondContact O-N 3Å; L270-T273 WeakPolarHBondContact CA-OG1 3.13Å; L270-T273 PolarHBondContact O-OG1 3.45Å; L270-V274 HydrophobicContact CD1-CG2 4.39Å; L270-V274 WeakPolarHBondContact O-CB 3.49Å; L270-V274 VanDerWaalsContact O-CG2 3.25Å; L270-V274 WeakPolarHBondContact O-CG2 3.47Å; L270-V274 PolarHBondContact O-N 2.79Å |
| 271 | G | 89.6 | Confident | 89 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K267 V268 S269 L275 | K267-G271 PolarHBondContact O-N 3.05Å; V268-G271 PolarHBondContact O-N 3.31Å; S269-G271 PolarHBondContact O-N 3.06Å; G271-L275 PolarHBondContact O-N 3.48Å |
| 272 | V | 91.8 | Very high | 89.2 | Confident | 78 Ų | 78 | 53 Ų | 53 | 47% | 0.473 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 178.8 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | V268 S269 L275 L276 T313 | V268-V272 HydrophobicContact CG1-CG2 4.29Å; V268-V272 WeakPolarHBondContact O-CG2 3.44Å; V268-V272 PolarHBondContact O-N 3.36Å; S269-V272 PolarHBondContact O-N 3Å; V272-L275 PolarHBondContact O-N 3.21Å; V272-L276 WeakPolarHBondContact O-CB 3.19Å; V272-L276 PolarHBondContact O-N 3.26Å; V272-T313 HydrophobicContact CG2-CG2 4.37Å |
| 273 | T | 92.7 | Very high | 89.6 | Confident | 72 Ų | 72 | 57.5 Ų | 57.5 | 44% | 0.442 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 178.2 | 49.5 | 0 | 0 | 0 | 0 | 112.2 | S269 L270 L276 A277 | S269-T273 WeakPolarHBondContact O-CB 3.22Å; S269-T273 VanDerWaalsContact O-CG2 3.28Å; S269-T273 WeakPolarHBondContact O-CG2 3.26Å; S269-T273 PolarHBondContact O-N 2.93Å; S269-T273 PolarHBondContact O-OG1 3.5Å; L270-T273 WeakPolarHBondContact CA-OG1 3.13Å; L270-T273 PolarHBondContact O-OG1 3.45Å; T273-L276 PolarHBondContact O-N 2.86Å; T273-A277 WeakPolarHBondContact O-CB 3.48Å; T273-A277 PolarHBondContact O-N 3.32Å |
| 274 | V | 92.3 | Very high | 89.9 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 5% | 0.048 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 173 | 167.1 | 0 | 0 | 0 | 0 | 111.5 | I250 L253 A254 L270 L276 A277 L278 V309 | I250-V274 HydrophobicContact CG2-CB 4.48Å; I250-V274 HydrophobicContact CG2-CG1 3.73Å; L253-V274 HydrophobicContact CB-CG2 4.43Å; A254-V274 HydrophobicContact CB-CG1 3.98Å; L270-V274 HydrophobicContact CD1-CG2 4.39Å; L270-V274 WeakPolarHBondContact O-CB 3.49Å; L270-V274 VanDerWaalsContact O-CG2 3.25Å; L270-V274 WeakPolarHBondContact O-CG2 3.47Å; L270-V274 PolarHBondContact O-N 2.79Å; V274-L276 PolarHBondContact O-N 3.04Å; V274-A277 PolarHBondContact O-N 3.41Å; V274-L278 HydrophobicContact CG1-CD1 4.19Å; V274-L278 WeakPolarHBondContact O-CG 3.5Å; V274-L278 PolarHBondContact O-N 3.03Å; V274-V309 HydrophobicContact CG1-CG1 4.05Å; V274-V309 HydrophobicContact CG1-CG2 4.28Å |
| 275 | L | 91.8 | Very high | 90.1 | Very high | 46 Ų | 46 | 53.8 Ų | 53.8 | 24% | 0.241 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 176.8 | -176 | 63.8 | 0 | 0 | 0 | 112 | G271 V272 L278 T279 V309 | G271-L275 PolarHBondContact O-N 3.48Å; V272-L275 PolarHBondContact O-N 3.21Å; L275-L278 PolarHBondContact O-N 3.43Å; L275-T279 PolarHBondContact O-N 2.92Å; L275-T279 PolarHBondContact O-OG1 2.86Å; L275-V309 HydrophobicContact CB-CG1 4Å; L275-V309 HydrophobicContact CD1-CG1 4.18Å |
| 276 | L | 93.3 | Very high | 90.2 | Very high | 114 Ų | 114 | 54.7 Ų | 54.7 | 60% | 0.597 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63 | -45.5 | 176.8 | -176.8 | 65.4 | 0 | 0 | 0 | 111.2 | V272 T273 V274 L278 T279 V280 | V272-L276 WeakPolarHBondContact O-CB 3.19Å; V272-L276 PolarHBondContact O-N 3.26Å; T273-L276 PolarHBondContact O-N 2.86Å; V274-L276 PolarHBondContact O-N 3.04Å; L276-L278 PolarHBondContact O-N 3.25Å; L276-T279 WeakPolarHBondContact O-CA 3.41Å; L276-T279 WeakPolarHBondContact O-CB 3.45Å; L276-T279 PolarHBondContact O-N 2.84Å; L276-T279 VanDerWaalsContact O-N 3.09Å; L276-V280 WeakPolarHBondContact O-CG2 3.43Å; L276-V280 PolarHBondContact O-N 2.94Å |
| 277 | A | 93 | Very high | 90.2 | Very high | 32 Ų | 32 | 55.2 Ų | 55.2 | 26% | 0.264 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I250 T273 V274 T279 V280 F281 | I250-A277 HydrophobicContact CD1-CB 4.27Å; T273-A277 WeakPolarHBondContact O-CB 3.48Å; T273-A277 PolarHBondContact O-N 3.32Å; V274-A277 PolarHBondContact O-N 3.41Å; A277-T279 VanDerWaalsContact C-N 3.26Å; A277-T279 PolarHBondContact O-N 3.2Å; A277-V280 PolarHBondContact O-N 3.12Å; A277-F281 WeakPolarHBondContact O-CD2 3.4Å; A277-F281 PolarHBondContact O-N 3.09Å; A277-F281 VanDerWaalsContact O-N 3.09Å |
| 278 | L | 90.5 | Very high | 90 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.7 | -35.8 | 174.7 | -71.1 | 171.2 | 0 | 0 | 0 | 112.2 | I250 V274 L275 L276 F281 Q282 T305 M306 V309 | I250-L278 HydrophobicContact CB-CD2 4.49Å; I250-L278 HydrophobicContact CG2-CD1 4.46Å; I250-L278 HydrophobicContact CG2-CD2 3.92Å; I250-L278 HydrophobicContact CG2-CG 3.87Å; V274-L278 HydrophobicContact CG1-CD1 4.19Å; V274-L278 WeakPolarHBondContact O-CG 3.5Å; V274-L278 PolarHBondContact O-N 3.03Å; L275-L278 PolarHBondContact O-N 3.43Å; L276-L278 PolarHBondContact O-N 3.25Å; L278-F281 PolarHBondContact O-N 3.37Å; L278-Q282 WeakPolarHBondContact O-CB 3.44Å; L278-Q282 PolarHBondContact O-N 2.79Å; L278-T305 HydrophobicContact CD1-CG2 3.8Å; L278-T305 HydrophobicContact CD2-CG2 4.32Å; L278-M306 VanDerWaalsContact C-CE 3.42Å; L278-M306 HydrophobicContact CB-CE 4.22Å; L278-M306 HydrophobicContact CB-CG 4.29Å; L278-M306 VanDerWaalsContact O-CE 3.26Å; L278-M306 WeakPolarHBondContact O-CE 3.46Å; L278-V309 HydrophobicContact CD1-CB 4.41Å; L278-V309 HydrophobicContact CD1-CG2 3.77Å |
| 279 | T | 91.6 | Very high | 89.8 | Confident | 66 Ų | 66 | 56.6 Ų | 56.6 | 41% | 0.405 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 176.9 | -53.2 | 0 | 0 | 0 | 0 | 112.2 | L275 L276 A277 Q282 L283 M306 | L275-T279 PolarHBondContact O-N 2.92Å; L275-T279 PolarHBondContact O-OG1 2.86Å; L276-T279 WeakPolarHBondContact O-CA 3.41Å; L276-T279 WeakPolarHBondContact O-CB 3.45Å; L276-T279 PolarHBondContact O-N 2.84Å; L276-T279 VanDerWaalsContact O-N 3.09Å; A277-T279 VanDerWaalsContact C-N 3.26Å; A277-T279 PolarHBondContact O-N 3.2Å; T279-Q282 PolarHBondContact O-N 2.92Å; T279-L283 WeakPolarHBondContact O-CB 3.49Å; T279-L283 PolarHBondContact O-N 2.92Å; T279-M306 HydrophobicContact CG2-CE 4.47Å |
| 280 | V | 92.3 | Very high | 89.6 | Confident | 90 Ų | 90 | 54.5 Ų | 54.5 | 55% | 0.545 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 175.2 | 174.3 | 0 | 0 | 0 | 0 | 111 | L276 A277 Q282 L283 L284 | L276-V280 WeakPolarHBondContact O-CG2 3.43Å; L276-V280 PolarHBondContact O-N 2.94Å; A277-V280 PolarHBondContact O-N 3.12Å; V280-Q282 PolarHBondContact O-N 3.3Å; V280-L283 PolarHBondContact O-N 2.96Å; V280-L284 PolarHBondContact O-N 3.36Å |
| 281 | F | 89.1 | Confident | 88.9 | Confident | 50 Ų | 50 | 58 Ų | 58 | 22% | 0.219 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64 | -39.1 | 177.7 | -79.6 | -68.8 | 0 | 0 | 0 | 112.8 | P246 I250 A277 L278 L284 L285 Y302 | P246-F281 HydrophobicContact CB-CZ 4.11Å; I250-F281 HydrophobicContact CD1-CD2 3.97Å; I250-F281 HydrophobicContact CD1-CE2 3.5Å; I250-F281 HydrophobicContact CD1-CZ 4.49Å; A277-F281 WeakPolarHBondContact O-CD2 3.4Å; A277-F281 PolarHBondContact O-N 3.09Å; A277-F281 VanDerWaalsContact O-N 3.09Å; L278-F281 PolarHBondContact O-N 3.37Å; F281-L284 PolarHBondContact O-N 3.46Å; F281-L285 PolarHBondContact O-N 2.89Å; F281-L285 VanDerWaalsContact O-N 3.09Å; F281-Y302 HydrophobicContact CB-CE1 3.94Å |
| 282 | Q | 88.8 | Confident | 88 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 25% | 0.252 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 174.8 | 176.8 | 172 | -34.3 | 0 | 0 | 112 | L278 T279 V280 L285 A286 M303 M306 | L278-Q282 WeakPolarHBondContact O-CB 3.44Å; L278-Q282 PolarHBondContact O-N 2.79Å; T279-Q282 PolarHBondContact O-N 2.92Å; V280-Q282 PolarHBondContact O-N 3.3Å; Q282-L285 WeakPolarHBondContact O-CB 3.38Å; Q282-L285 PolarHBondContact O-N 2.87Å; Q282-A286 WeakPolarHBondContact O-CB 3.45Å; Q282-A286 PolarHBondContact O-N 3.47Å; Q282-M303 PolarHBondContact NE2-SD 3.44Å; Q282-M306 HydrophobicContact CB-CE 3.57Å; Q282-M306 HydrophobicContact CG-CE 4.18Å; Q282-M306 PolarHBondContact OE1-SD 3.08Å |
| 283 | L | 89.6 | Confident | 86.8 | Confident | 101 Ų | 101 | 66.3 Ų | 66.3 | 53% | 0.529 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64 | -45.1 | 176.9 | -177.6 | 63.7 | 0 | 0 | 0 | 111.1 | T279 V280 L285 A286 E287 | T279-L283 WeakPolarHBondContact O-CB 3.49Å; T279-L283 PolarHBondContact O-N 2.92Å; V280-L283 PolarHBondContact O-N 2.96Å; L283-L285 VanDerWaalsContact C-N 3.26Å; L283-L285 PolarHBondContact O-N 3.46Å; L283-A286 PolarHBondContact O-N 3.42Å; L283-A286 VanDerWaalsContact O-N 3.08Å; L283-E287 HydrophobicContact CD1-CG 4.34Å; L283-E287 HydrophobicContact CG-CG 4.5Å; L283-E287 WeakPolarHBondContact O-CG 3.48Å; L283-E287 PolarHBondContact O-N 2.94Å |
| 284 | L | 88.6 | Confident | 85.9 | Confident | 92 Ų | 92 | 65.1 Ų | 65.1 | 48% | 0.482 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56.4 | -41.2 | 175.3 | -177 | 68.9 | 0 | 0 | 0 | 112 | L243 V280 F281 S288 | L243-L284 HydrophobicContact CD2-CD2 4.14Å; V280-L284 PolarHBondContact O-N 3.36Å; F281-L284 PolarHBondContact O-N 3.46Å; L284-S288 PolarHBondContact O-N 3.46Å; L284-S288 PolarHBondContact O-OG 3.09Å |
| 285 | L | 87.3 | Confident | 85.4 | Confident | 9 Ų | 9 | 68.8 Ų | 68.8 | 5% | 0.047 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 174.5 | -171.8 | 77.6 | 0 | 0 | 0 | 112.3 | F161 L243 F281 Q282 L283 E287 S288 M289 I298 Y302 | F161-L285 HydrophobicContact CE1-CD1 4.17Å; L243-L285 HydrophobicContact CD1-CD1 4.49Å; F281-L285 PolarHBondContact O-N 2.89Å; F281-L285 VanDerWaalsContact O-N 3.09Å; Q282-L285 WeakPolarHBondContact O-CB 3.38Å; Q282-L285 PolarHBondContact O-N 2.87Å; L283-L285 VanDerWaalsContact C-N 3.26Å; L283-L285 PolarHBondContact O-N 3.46Å; L285-E287 VanDerWaalsContact C-N 3.32Å; L285-E287 PolarHBondContact O-N 3.49Å; L285-S288 PolarHBondContact O-N 3.25Å; L285-S288 PolarHBondContact O-OG 2.95Å; L285-M289 HydrophobicContact CD1-CE 3.31Å; L285-M289 HydrophobicContact CD1-SD 4.12Å; L285-M289 HydrophobicContact CG-CE 3.89Å; L285-M289 HydrophobicContact CG-SD 4.03Å; L285-M289 WeakPolarHBondContact O-CG 3.47Å; L285-M289 PolarHBondContact O-N 3.34Å; L285-I298 HydrophobicContact CD1-CG2 4Å; L285-I298 HydrophobicContact CD2-CG1 4.39Å; L285-I298 HydrophobicContact CD2-CG2 3.69Å; L285-I298 HydrophobicContact CG-CG2 4.44Å; L285-Y302 HydrophobicContact CD2-CD2 3.74Å; L285-Y302 HydrophobicContact CD2-CE2 3.84Å |
| 286 | A | 86 | Confident | 85.2 | Confident | 64 Ų | 64 | 67.4 Ų | 67.4 | 53% | 0.529 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.3 | -32.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q282 L283 | Q282-A286 WeakPolarHBondContact O-CB 3.45Å; Q282-A286 PolarHBondContact O-N 3.47Å; L283-A286 PolarHBondContact O-N 3.42Å; L283-A286 VanDerWaalsContact O-N 3.08Å |
| 287 | E | 87.4 | Confident | 84.8 | Confident | 125 Ų | 125 | 64.3 Ų | 64.3 | 58% | 0.584 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -74.9 | -25 | 177.7 | -73 | -173.6 | 169 | 0 | 0 | 113.3 | L283 L285 | L283-E287 HydrophobicContact CD1-CG 4.34Å; L283-E287 HydrophobicContact CG-CG 4.5Å; L283-E287 WeakPolarHBondContact O-CG 3.48Å; L283-E287 PolarHBondContact O-N 2.94Å; L285-E287 VanDerWaalsContact C-N 3.32Å; L285-E287 PolarHBondContact O-N 3.49Å |
| 288 | S | 83.3 | Confident | 84.5 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 40% | 0.399 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -87.8 | -9.6 | -178.9 | 47 | 0 | 0 | 0 | 0 | 114 | L284 L285 | L284-S288 PolarHBondContact O-N 3.46Å; L284-S288 PolarHBondContact O-OG 3.09Å; L285-S288 PolarHBondContact O-N 3.25Å; L285-S288 PolarHBondContact O-OG 2.95Å |
| 289 | M | 85.8 | Confident | 84.4 | Confident | 16 Ų | 16 | 63.8 Ų | 63.8 | 8% | 0.079 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -116.2 | 152.3 | -174.5 | -67.3 | 179.9 | 179.6 | 0 | 0 | 112.1 | F161 L285 P296 I298 | F161-M289 HydrophobicContact CB-CE 4.13Å; F161-M289 HydrophobicContact CD1-CE 3.16Å; F161-M289 HydrophobicContact CD2-CE 3.68Å; F161-M289 HydrophobicContact CE1-CE 3.25Å; F161-M289 HydrophobicContact CE2-CE 3.75Å; F161-M289 HydrophobicContact CG-CE 3.37Å; F161-M289 HydrophobicContact CZ-CE 3.53Å; L285-M289 HydrophobicContact CD1-CE 3.31Å; L285-M289 HydrophobicContact CD1-SD 4.12Å; L285-M289 HydrophobicContact CG-CE 3.89Å; L285-M289 HydrophobicContact CG-SD 4.03Å; L285-M289 WeakPolarHBondContact O-CG 3.47Å; L285-M289 PolarHBondContact O-N 3.34Å; M289-P296 HydrophobicContact SD-CB 4.31Å; M289-P296 HydrophobicContact SD-CG 3.68Å; M289-I298 HydrophobicContact CE-CG2 4.33Å |
| 290 | P | 85.7 | Confident | 84.2 | Confident | 10 Ų | 10 | 66.3 Ų | 66.3 | 7% | 0.065 | 37% | 0.372 | C | S | . | . | trans | -67.1 | 155.8 | 172.2 | 26.4 | -30.9 | 0 | 0 | 0 | 110.9 | E71 Q74 V158 A292 | E71-P290 WeakPolarHBondContact O-CB 3.39Å; E71-P290 VanDerWaalsContact O-CD 3.26Å; E71-P290 WeakPolarHBondContact O-CD 3.47Å; E71-P290 WeakPolarHBondContact O-CG 3.38Å; Q74-P290 HydrophobicContact CG-CB 4.21Å; V158-P290 HydrophobicContact CG1-CG 4.27Å; P290-A292 VanDerWaalsContact C-N 3.32Å; P290-A292 PolarHBondContact O-N 3.43Å | ||
| 291 | P | 77.5 | Confident | 84 | Confident | 128 Ų | 128 | 62.3 Ų | 62.3 | 83% | 0.831 | 35% | 0.348 | S | S | * | . | trans | -64.7 | 95.3 | 163.1 | 28.7 | -32 | 0 | 0 | 0 | 108.7 | ||||
| 292 | A | 69.9 | Low | 84 | Confident | 44 Ų | 44 | 60 Ų | 60 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | trans | -93 | 152.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | V158 P290 S294 | V158-A292 HydrophobicContact CG2-CB 3.54Å; P290-A292 VanDerWaalsContact C-N 3.32Å; P290-A292 PolarHBondContact O-N 3.43Å; A292-S294 PolarHBondContact O-N 3.09Å | ||
| 293 | E | 66.7 | Low | 84 | Confident | 213 Ų | 213 | 62.1 Ų | 62.1 | 100% | 0.995 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -64.6 | -28.1 | 171.8 | -65.3 | -173.9 | 169.4 | 0 | 0 | 112.1 | ||
| 294 | S | 74.1 | Confident | 84 | Confident | 48 Ų | 48 | 59 Ų | 59 | 34% | 0.336 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -112.7 | 132 | -179.9 | 61.1 | 0 | 0 | 0 | 0 | 112.2 | A292 P296 | A292-S294 PolarHBondContact O-N 3.09Å; S294-P296 WeakPolarHBondContact O-CD 3.42Å |
| 295 | V | 81.6 | Confident | 84.1 | Confident | 84 Ų | 84 | 54.9 Ų | 54.9 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | trans | -69.7 | 126 | 174.9 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | K300 | V295-K300 HydrophobicContact CB-CG 4.39Å; V295-K300 HydrophobicContact CG1-CG 3.97Å; V295-K300 VanDerWaalsContact O-CE 3.26Å; V295-K300 WeakPolarHBondContact O-CE 3Å; V295-K300 PolarHBondContact O-NZ 3.02Å | ||
| 296 | P | 87.6 | Confident | 84.2 | Confident | 18 Ų | 18 | 55.6 Ų | 55.6 | 12% | 0.117 | 32% | 0.32 | C | S | . | . | trans | -55.6 | 148.8 | 175.9 | -24.9 | 32.4 | 0 | 0 | 0 | 113 | V158 M289 S294 I298 G299 K300 | V158-P296 HydrophobicContact CB-CG 4.25Å; V158-P296 HydrophobicContact CG2-CG 3.9Å; V158-P296 WeakPolarHBondContact O-CA 3.47Å; V158-P296 WeakPolarHBondContact O-CB 3.25Å; M289-P296 HydrophobicContact SD-CB 4.31Å; M289-P296 HydrophobicContact SD-CG 3.68Å; S294-P296 WeakPolarHBondContact O-CD 3.42Å; P296-I298 VanDerWaalsContact C-N 3.3Å; P296-I298 HydrophobicContact CB-CG2 3.97Å; P296-I298 PolarHBondContact O-N 2.94Å; P296-G299 WeakPolarHBondContact O-CA 3.39Å; P296-G299 PolarHBondContact O-N 3.24Å; P296-K300 PolarHBondContact O-N 2.99Å | ||
| 297 | L | 84.9 | Confident | 84.5 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -54 | -47.1 | 175.4 | -176 | 70.8 | 0 | 0 | 0 | 112 | A159 G299 K300 Y301 Q448 | A159-L297 WeakPolarHBondContact O-CB 3.45Å; A159-L297 PolarHBondContact O-N 3.04Å; L297-G299 VanDerWaalsContact C-N 3.28Å; L297-G299 PolarHBondContact O-N 3.35Å; L297-K300 WeakPolarHBondContact O-CB 3.43Å; L297-K300 PolarHBondContact O-N 3.09Å; L297-Y301 PolarHBondContact O-N 3.46Å; L297-Y301 VanDerWaalsContact O-N 3.14Å; L297-Q448 HydrophobicContact CD2-CB 4.25Å |
| 298 | I | 86.3 | Confident | 84.6 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 5% | 0.051 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.7 | -37.4 | 175.9 | -169 | 79 | 0 | 0 | 0 | 111.6 | F161 L244 L285 M289 P296 Y301 Y302 | F161-I298 HydrophobicContact CD1-CG2 3.75Å; F161-I298 HydrophobicContact CE1-CG2 4.42Å; L244-I298 HydrophobicContact CD1-CD1 3.65Å; L285-I298 HydrophobicContact CD1-CG2 4Å; L285-I298 HydrophobicContact CD2-CG1 4.39Å; L285-I298 HydrophobicContact CD2-CG2 3.69Å; L285-I298 HydrophobicContact CG-CG2 4.44Å; M289-I298 HydrophobicContact CE-CG2 4.33Å; P296-I298 VanDerWaalsContact C-N 3.3Å; P296-I298 HydrophobicContact CB-CG2 3.97Å; P296-I298 PolarHBondContact O-N 2.94Å; I298-Y301 WeakPolarHBondContact O-CB 3.08Å; I298-Y301 PolarHBondContact O-N 2.9Å; I298-Y302 HydrophobicContact CD1-CE2 4.24Å; I298-Y302 HydrophobicContact CG1-CD2 4.03Å; I298-Y302 HydrophobicContact CG1-CE2 3.6Å; I298-Y302 WeakPolarHBondContact O-CD2 3.19Å; I298-Y302 PolarHBondContact O-N 3.4Å |
| 299 | G | 87.7 | Confident | 85 | Confident | 11 Ų | 11 | 49.1 Ų | 49.1 | 11% | 0.113 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P296 L297 Y301 Y302 M303 | P296-G299 WeakPolarHBondContact O-CA 3.39Å; P296-G299 PolarHBondContact O-N 3.24Å; L297-G299 VanDerWaalsContact C-N 3.28Å; L297-G299 PolarHBondContact O-N 3.35Å; G299-Y301 VanDerWaalsContact C-N 3.29Å; G299-Y301 PolarHBondContact O-N 3.28Å; G299-Y302 PolarHBondContact O-N 3.08Å; G299-M303 WeakPolarHBondContact O-CG 3.32Å; G299-M303 PolarHBondContact O-N 3.21Å |
| 300 | K | 87.4 | Confident | 85.3 | Confident | 119 Ų | 119 | 51.8 Ų | 51.8 | 52% | 0.517 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 173.5 | -66.3 | 169.8 | -176.5 | 160.9 | 0 | 111.4 | V295 P296 L297 A304 | V295-K300 HydrophobicContact CB-CG 4.39Å; V295-K300 HydrophobicContact CG1-CG 3.97Å; V295-K300 VanDerWaalsContact O-CE 3.26Å; V295-K300 WeakPolarHBondContact O-CE 3Å; V295-K300 PolarHBondContact O-NZ 3.02Å; P296-K300 PolarHBondContact O-N 2.99Å; L297-K300 WeakPolarHBondContact O-CB 3.43Å; L297-K300 PolarHBondContact O-N 3.09Å; K300-A304 WeakPolarHBondContact O-CB 3.33Å; K300-A304 PolarHBondContact O-N 3.04Å |
| 301 | Y | 88.7 | Confident | 85.6 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 2% | 0.024 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 175.5 | 171.6 | -103.4 | 0 | 0 | 0 | 112.6 | C247 S251 L297 I298 G299 M303 A304 T305 M441 V445 | C247-Y301 HydrophobicContact CB-CE1 4.44Å; S251-Y301 PolarHBondContact OG-OH 2.93Å; L297-Y301 PolarHBondContact O-N 3.46Å; L297-Y301 VanDerWaalsContact O-N 3.14Å; I298-Y301 WeakPolarHBondContact O-CB 3.08Å; I298-Y301 PolarHBondContact O-N 2.9Å; G299-Y301 VanDerWaalsContact C-N 3.29Å; G299-Y301 PolarHBondContact O-N 3.28Å; Y301-M303 PolarHBondContact O-N 3.21Å; Y301-A304 PolarHBondContact O-N 3.29Å; Y301-T305 WeakPolarHBondContact O-CB 3.22Å; Y301-T305 PolarHBondContact O-N 3.19Å; Y301-T305 PolarHBondContact O-OG1 3.27Å; Y301-M441 HydrophobicContact CD2-CE 4.4Å; Y301-M441 HydrophobicContact CE2-CB 4.28Å; Y301-V445 HydrophobicContact CD2-CB 4.45Å; Y301-V445 HydrophobicContact CD2-CG2 3.5Å; Y301-V445 HydrophobicContact CE2-CG2 4.17Å; Y301-V445 HydrophobicContact CG-CG2 3.86Å |
| 302 | Y | 89.3 | Confident | 86.3 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.7 | -47.3 | 175.9 | -80.1 | -68.6 | 0 | 0 | 0 | 112.2 | C247 F281 L285 I298 G299 A304 T305 M306 | C247-Y302 HydrophobicContact CB-CE1 3.9Å; C247-Y302 WeakPolarHBondContact SG-CE1 3.48Å; C247-Y302 VanDerWaalsContact SG-CZ 3.53Å; C247-Y302 PolarHBondContact SG-OH 3.37Å; F281-Y302 HydrophobicContact CB-CE1 3.94Å; L285-Y302 HydrophobicContact CD2-CD2 3.74Å; L285-Y302 HydrophobicContact CD2-CE2 3.84Å; I298-Y302 HydrophobicContact CD1-CE2 4.24Å; I298-Y302 HydrophobicContact CG1-CD2 4.03Å; I298-Y302 HydrophobicContact CG1-CE2 3.6Å; I298-Y302 WeakPolarHBondContact O-CD2 3.19Å; I298-Y302 PolarHBondContact O-N 3.4Å; G299-Y302 PolarHBondContact O-N 3.08Å; Y302-A304 PolarHBondContact O-N 2.88Å; Y302-T305 PolarHBondContact O-N 2.85Å; Y302-M306 WeakPolarHBondContact O-CB 3.05Å; Y302-M306 WeakPolarHBondContact O-CG 3.4Å; Y302-M306 PolarHBondContact O-N 2.88Å |
| 303 | M | 88.8 | Confident | 87.2 | Confident | 99 Ų | 99 | 49.8 Ų | 49.8 | 49% | 0.488 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 178.4 | -70.6 | -63.5 | -65.2 | 0 | 0 | 112.2 | Q282 G299 Y301 T307 | Q282-M303 PolarHBondContact NE2-SD 3.44Å; G299-M303 WeakPolarHBondContact O-CG 3.32Å; G299-M303 PolarHBondContact O-N 3.21Å; Y301-M303 PolarHBondContact O-N 3.21Å; M303-T307 WeakPolarHBondContact O-CG2 3.2Å; M303-T307 PolarHBondContact O-N 3.02Å; M303-T307 PolarHBondContact O-OG1 2.84Å |
| 304 | A | 89.7 | Confident | 88.4 | Confident | 35 Ų | 35 | 42.2 Ų | 42.2 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65 | -39.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K300 Y301 Y302 T307 M308 M441 | K300-A304 WeakPolarHBondContact O-CB 3.33Å; K300-A304 PolarHBondContact O-N 3.04Å; Y301-A304 PolarHBondContact O-N 3.29Å; Y302-A304 PolarHBondContact O-N 2.88Å; A304-T307 WeakPolarHBondContact CA-OG1 3.31Å; A304-T307 PolarHBondContact O-OG1 3.15Å; A304-M308 WeakPolarHBondContact O-CB 3.48Å; A304-M308 PolarHBondContact O-N 2.86Å; A304-M441 HydrophobicContact CB-CE 3.73Å |
| 305 | T | 89.9 | Confident | 89.2 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.4 | -42.4 | 179.2 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | L278 Y301 Y302 M308 V309 | L278-T305 HydrophobicContact CD1-CG2 3.8Å; L278-T305 HydrophobicContact CD2-CG2 4.32Å; Y301-T305 WeakPolarHBondContact O-CB 3.22Å; Y301-T305 PolarHBondContact O-N 3.19Å; Y301-T305 PolarHBondContact O-OG1 3.27Å; Y302-T305 PolarHBondContact O-N 2.85Å; T305-M308 HydrophobicContact CG2-CE 4.28Å; T305-M308 PolarHBondContact O-N 2.9Å; T305-V309 HydrophobicContact CG2-CG2 4.31Å; T305-V309 WeakPolarHBondContact O-CB 3.32Å; T305-V309 WeakPolarHBondContact O-CG2 3.47Å; T305-V309 PolarHBondContact O-N 3Å |
| 306 | M | 91.1 | Very high | 89.6 | Confident | 25 Ų | 25 | 37 Ų | 37 | 12% | 0.123 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -45.1 | 175.8 | -79.4 | -167.9 | -179 | 0 | 0 | 113.1 | L278 T279 Q282 Y302 M308 V309 T310 | L278-M306 VanDerWaalsContact C-CE 3.42Å; L278-M306 HydrophobicContact CB-CE 4.22Å; L278-M306 HydrophobicContact CB-CG 4.29Å; L278-M306 VanDerWaalsContact O-CE 3.26Å; L278-M306 WeakPolarHBondContact O-CE 3.46Å; T279-M306 HydrophobicContact CG2-CE 4.47Å; Q282-M306 HydrophobicContact CB-CE 3.57Å; Q282-M306 HydrophobicContact CG-CE 4.18Å; Q282-M306 PolarHBondContact OE1-SD 3.08Å; Y302-M306 WeakPolarHBondContact O-CB 3.05Å; Y302-M306 WeakPolarHBondContact O-CG 3.4Å; Y302-M306 PolarHBondContact O-N 2.88Å; M306-M308 VanDerWaalsContact C-N 3.32Å; M306-M308 PolarHBondContact O-N 3.02Å; M306-V309 PolarHBondContact O-N 2.03Å; M306-T310 VanDerWaalsContact O-CB 3.31Å; M306-T310 WeakPolarHBondContact O-CB 3.48Å; M306-T310 PolarHBondContact O-N 2.94Å; M306-T310 PolarHBondContact O-OG1 3.12Å |
| 307 | T | 91.1 | Very high | 89.7 | Confident | 88 Ų | 88 | 40.3 Ų | 40.3 | 54% | 0.54 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 177.5 | 48.6 | 0 | 0 | 0 | 0 | 111 | M303 A304 T310 F311 | M303-T307 WeakPolarHBondContact O-CG2 3.2Å; M303-T307 PolarHBondContact O-N 3.02Å; M303-T307 PolarHBondContact O-OG1 2.84Å; A304-T307 WeakPolarHBondContact CA-OG1 3.31Å; A304-T307 PolarHBondContact O-OG1 3.15Å; T307-T310 PolarHBondContact O-N 2.77Å; T307-F311 WeakPolarHBondContact O-CB 3.38Å; T307-F311 PolarHBondContact O-N 3.35Å |
| 308 | M | 90.5 | Very high | 89.8 | Confident | 21 Ų | 21 | 42.1 Ų | 42.1 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.6 | -49.3 | 173.7 | -178.8 | -83.8 | -71.2 | 0 | 0 | 112.4 | A304 T305 M306 T310 F311 S312 F434 A438 | A304-M308 WeakPolarHBondContact O-CB 3.48Å; A304-M308 PolarHBondContact O-N 2.86Å; T305-M308 HydrophobicContact CG2-CE 4.28Å; T305-M308 PolarHBondContact O-N 2.9Å; M306-M308 VanDerWaalsContact C-N 3.32Å; M306-M308 PolarHBondContact O-N 3.02Å; M308-T310 VanDerWaalsContact C-N 3.34Å; M308-T310 PolarHBondContact O-N 2.85Å; M308-F311 PolarHBondContact O-N 3.08Å; M308-S312 VanDerWaalsContact O-CB 3.27Å; M308-S312 WeakPolarHBondContact O-CB 3.34Å; M308-S312 PolarHBondContact O-N 2.71Å; M308-F434 HydrophobicContact CG-CD1 3.75Å; M308-F434 HydrophobicContact CG-CE1 4.09Å; M308-F434 HydrophobicContact SD-CD1 3.74Å; M308-F434 HydrophobicContact SD-CE1 4.42Å; M308-A438 HydrophobicContact CE-CB 4.14Å |
| 309 | V | 91 | Very high | 89.9 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.9 | -37.9 | 179.7 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | A254 V274 L275 L278 T305 M306 S312 T313 | A254-V309 HydrophobicContact CB-CG2 3.76Å; V274-V309 HydrophobicContact CG1-CG1 4.05Å; V274-V309 HydrophobicContact CG1-CG2 4.28Å; L275-V309 HydrophobicContact CB-CG1 4Å; L275-V309 HydrophobicContact CD1-CG1 4.18Å; L278-V309 HydrophobicContact CD1-CB 4.41Å; L278-V309 HydrophobicContact CD1-CG2 3.77Å; T305-V309 HydrophobicContact CG2-CG2 4.31Å; T305-V309 WeakPolarHBondContact O-CB 3.32Å; T305-V309 WeakPolarHBondContact O-CG2 3.47Å; T305-V309 PolarHBondContact O-N 3Å; M306-V309 PolarHBondContact O-N 2.03Å; V309-S312 PolarHBondContact O-N 3.47Å; V309-T313 WeakPolarHBondContact O-CB 3.13Å; V309-T313 PolarHBondContact O-N 2.83Å; V309-T313 PolarHBondContact O-OG1 2.73Å |
| 310 | T | 92.2 | Very high | 89.8 | Confident | 71 Ų | 71 | 42.3 Ų | 42.3 | 44% | 0.436 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.3 | -46.8 | 177 | -56.7 | 0 | 0 | 0 | 0 | 110.6 | M306 T307 M308 T313 A314 | M306-T310 VanDerWaalsContact O-CB 3.31Å; M306-T310 WeakPolarHBondContact O-CB 3.48Å; M306-T310 PolarHBondContact O-N 2.94Å; M306-T310 PolarHBondContact O-OG1 3.12Å; T307-T310 PolarHBondContact O-N 2.77Å; M308-T310 VanDerWaalsContact C-N 3.34Å; M308-T310 PolarHBondContact O-N 2.85Å; T310-T313 PolarHBondContact O-N 2.75Å; T310-A314 PolarHBondContact O-N 2.98Å |
| 311 | F | 91.6 | Very high | 89.8 | Confident | 125 Ų | 125 | 42 Ų | 42 | 55% | 0.548 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.8 | -41.7 | 177.7 | -175.7 | -113.9 | 0 | 0 | 0 | 112 | T307 M308 T313 A314 L315 F434 | T307-F311 WeakPolarHBondContact O-CB 3.38Å; T307-F311 PolarHBondContact O-N 3.35Å; M308-F311 PolarHBondContact O-N 3.08Å; F311-T313 PolarHBondContact O-N 2.78Å; F311-A314 PolarHBondContact O-N 3.35Å; F311-L315 HydrophobicContact CD1-CD1 3.83Å; F311-L315 HydrophobicContact CE1-CD1 3.41Å; F311-L315 VanDerWaalsContact CE1-CD1 3.41Å; F311-L315 HydrophobicContact CE1-CG 4.4Å; F311-L315 HydrophobicContact CE2-CD1 4.38Å; F311-L315 HydrophobicContact CG-CD1 4.44Å; F311-L315 HydrophobicContact CZ-CD1 3.72Å; F311-L315 HydrophobicContact CZ-CG 4.29Å; F311-L315 WeakPolarHBondContact O-CG 3.32Å; F311-L315 PolarHBondContact O-N 3.49Å; F311-F434 AromaticContact CD1-CE1 3.92Å; F311-F434 HydrophobicContact CD1-CE1 3.92Å; F311-F434 AromaticContact CD1-CZ 3.54Å; F311-F434 HydrophobicContact CD1-CZ 3.54Å; F311-F434 AromaticContact CE1-CZ 3.93Å; F311-F434 HydrophobicContact CE1-CZ 3.93Å |
| 312 | S | 91.4 | Very high | 89.5 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.2 | -48.7 | 171.8 | 167.2 | 0 | 0 | 0 | 0 | 111.7 | F258 M308 V309 A314 L315 T316 | F258-S312 WeakPolarHBondContact CE2-OG 3.11Å; F258-S312 VanDerWaalsContact CZ-OG 3.28Å; F258-S312 WeakPolarHBondContact CZ-OG 3.43Å; M308-S312 VanDerWaalsContact O-CB 3.27Å; M308-S312 WeakPolarHBondContact O-CB 3.34Å; M308-S312 PolarHBondContact O-N 2.71Å; V309-S312 PolarHBondContact O-N 3.47Å; S312-A314 PolarHBondContact O-N 2.9Å; S312-L315 WeakPolarHBondContact O-CB 3.22Å; S312-L315 PolarHBondContact O-N 3.15Å; S312-T316 WeakPolarHBondContact O-CG2 3.4Å; S312-T316 PolarHBondContact O-N 3.4Å |
| 313 | T | 90.8 | Very high | 89.3 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.5 | -37.3 | 179.8 | -53.4 | 0 | 0 | 0 | 0 | 112.2 | V272 V309 T310 F311 L315 T316 I317 | V272-T313 HydrophobicContact CG2-CG2 4.37Å; V309-T313 WeakPolarHBondContact O-CB 3.13Å; V309-T313 PolarHBondContact O-N 2.83Å; V309-T313 PolarHBondContact O-OG1 2.73Å; T310-T313 PolarHBondContact O-N 2.75Å; F311-T313 PolarHBondContact O-N 2.78Å; T313-L315 VanDerWaalsContact C-N 3.33Å; T313-L315 PolarHBondContact O-N 3.36Å; T313-T316 WeakPolarHBondContact CA-OG1 3.45Å; T313-T316 PolarHBondContact O-N 3.25Å; T313-T316 PolarHBondContact O-OG1 3.26Å; T313-I317 HydrophobicContact CG2-CD1 4.42Å; T313-I317 VanDerWaalsContact O-CG1 3.32Å; T313-I317 WeakPolarHBondContact O-CG1 3.47Å; T313-I317 PolarHBondContact O-N 2.92Å |
| 314 | A | 91.9 | Very high | 88.9 | Confident | 55 Ų | 55 | 45.1 Ų | 45.1 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.1 | -40.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T310 F311 S312 I317 L318 | T310-A314 PolarHBondContact O-N 2.98Å; F311-A314 PolarHBondContact O-N 3.35Å; S312-A314 PolarHBondContact O-N 2.9Å; A314-I317 PolarHBondContact O-N 3.32Å; A314-L318 PolarHBondContact O-N 3.01Å |
| 315 | L | 89.9 | Confident | 88.2 | Confident | 20 Ų | 20 | 44.7 Ų | 44.7 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.6 | -39 | 174.3 | -77.4 | 163.6 | 0 | 0 | 0 | 112.4 | F311 S312 T313 I317 L318 I319 F430 F434 | F311-L315 HydrophobicContact CD1-CD1 3.83Å; F311-L315 HydrophobicContact CE1-CD1 3.41Å; F311-L315 VanDerWaalsContact CE1-CD1 3.41Å; F311-L315 HydrophobicContact CE1-CG 4.4Å; F311-L315 HydrophobicContact CE2-CD1 4.38Å; F311-L315 HydrophobicContact CG-CD1 4.44Å; F311-L315 HydrophobicContact CZ-CD1 3.72Å; F311-L315 HydrophobicContact CZ-CG 4.29Å; F311-L315 WeakPolarHBondContact O-CG 3.32Å; F311-L315 PolarHBondContact O-N 3.49Å; S312-L315 WeakPolarHBondContact O-CB 3.22Å; S312-L315 PolarHBondContact O-N 3.15Å; T313-L315 VanDerWaalsContact C-N 3.33Å; T313-L315 PolarHBondContact O-N 3.36Å; L315-I317 VanDerWaalsContact C-N 3.33Å; L315-I317 PolarHBondContact O-N 2.92Å; L315-L318 HydrophobicContact CD2-CD2 4.49Å; L315-L318 WeakPolarHBondContact O-CB 3.38Å; L315-L318 PolarHBondContact O-N 2.85Å; L315-I319 VanDerWaalsContact O-CG1 3.27Å; L315-I319 WeakPolarHBondContact O-CG1 3.44Å; L315-I319 PolarHBondContact O-N 2.75Å; L315-F430 HydrophobicContact CD1-CD1 4.07Å; L315-F430 HydrophobicContact CD1-CE1 4.02Å; L315-F430 HydrophobicContact CD1-CZ 4.45Å; L315-F430 HydrophobicContact CD2-CE1 4.38Å; L315-F430 HydrophobicContact CD2-CE2 4.26Å; L315-F430 HydrophobicContact CD2-CZ 4.01Å; L315-F434 HydrophobicContact CD1-CE2 3.7Å; L315-F434 HydrophobicContact CD1-CZ 3.66Å |
| 316 | T | 89 | Confident | 87 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 175.3 | 60.2 | 0 | 0 | 0 | 0 | 111.4 | F258 S312 T313 L318 I319 M320 | F258-T316 HydrophobicContact CD1-CG2 3.8Å; F258-T316 HydrophobicContact CE1-CG2 3.36Å; F258-T316 HydrophobicContact CE2-CG2 4.45Å; F258-T316 HydrophobicContact CG-CG2 4.49Å; F258-T316 HydrophobicContact CZ-CG2 3.73Å; S312-T316 WeakPolarHBondContact O-CG2 3.4Å; S312-T316 PolarHBondContact O-N 3.4Å; T313-T316 WeakPolarHBondContact CA-OG1 3.45Å; T313-T316 PolarHBondContact O-N 3.25Å; T313-T316 PolarHBondContact O-OG1 3.26Å; T316-L318 VanDerWaalsContact C-N 3.33Å; T316-L318 PolarHBondContact O-N 2.88Å; T316-I319 PolarHBondContact O-N 3.45Å; T316-M320 WeakPolarHBondContact O-CB 3.5Å; T316-M320 WeakPolarHBondContact O-CG 3.4Å; T316-M320 PolarHBondContact O-N 2.88Å |
| 317 | I | 90.1 | Very high | 85.3 | Confident | 89 Ų | 89 | 50.5 Ų | 50.5 | 46% | 0.456 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 173.7 | -66.5 | 165.5 | 0 | 0 | 0 | 110.9 | V268 T313 A314 L315 M320 N321 | V268-I317 HydrophobicContact CG1-CD1 4.44Å; V268-I317 HydrophobicContact CG1-CG1 4.12Å; V268-I317 HydrophobicContact CG2-CG1 4.14Å; T313-I317 HydrophobicContact CG2-CD1 4.42Å; T313-I317 VanDerWaalsContact O-CG1 3.32Å; T313-I317 WeakPolarHBondContact O-CG1 3.47Å; T313-I317 PolarHBondContact O-N 2.92Å; A314-I317 PolarHBondContact O-N 3.32Å; L315-I317 VanDerWaalsContact C-N 3.33Å; L315-I317 PolarHBondContact O-N 2.92Å; I317-M320 PolarHBondContact O-N 3.41Å; I317-N321 PolarHBondContact O-N 2.85Å |
| 318 | L | 88.4 | Confident | 83.7 | Confident | 87 Ų | 87 | 52.2 Ų | 52.2 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 174.8 | -179.5 | 67.3 | 0 | 0 | 0 | 111.4 | A314 L315 T316 M320 N321 L322 | A314-L318 PolarHBondContact O-N 3.01Å; L315-L318 HydrophobicContact CD2-CD2 4.49Å; L315-L318 WeakPolarHBondContact O-CB 3.38Å; L315-L318 PolarHBondContact O-N 2.85Å; T316-L318 VanDerWaalsContact C-N 3.33Å; T316-L318 PolarHBondContact O-N 2.88Å; L318-M320 VanDerWaalsContact C-N 3.3Å; L318-M320 PolarHBondContact O-N 2.91Å; L318-N321 WeakPolarHBondContact O-CB 3.34Å; L318-N321 PolarHBondContact O-N 3.37Å; L318-N321 VanDerWaalsContact O-N 3.16Å; L318-L322 HydrophobicContact CG-CD1 4.32Å; L318-L322 VanDerWaalsContact O-CG 3.32Å; L318-L322 WeakPolarHBondContact O-CG 3.41Å; L318-L322 PolarHBondContact O-N 2.81Å |
| 319 | I | 87.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 178.8 | -66.5 | 166.8 | 0 | 0 | 0 | 110.9 | F258 L315 T316 L322 H323 A423 M426 D427 F430 | F258-I319 HydrophobicContact CD1-CD1 4.27Å; F258-I319 HydrophobicContact CE1-CD1 4.08Å; L315-I319 VanDerWaalsContact O-CG1 3.27Å; L315-I319 WeakPolarHBondContact O-CG1 3.44Å; L315-I319 PolarHBondContact O-N 2.75Å; T316-I319 PolarHBondContact O-N 3.45Å; I319-L322 PolarHBondContact O-N 3.48Å; I319-H323 WeakPolarHBondContact O-CB 3.36Å; I319-H323 PolarHBondContact O-N 2.77Å; I319-A423 HydrophobicContact CG2-CB 3.86Å; I319-M426 HydrophobicContact CD1-CB 4.12Å; I319-M426 HydrophobicContact CG1-CB 4.26Å; I319-M426 HydrophobicContact CG1-CE 4.03Å; I319-D427 VanDerWaalsContact CD1-OD1 3.28Å; I319-D427 WeakPolarHBondContact CD1-OD1 3.23Å; I319-F430 HydrophobicContact CD1-CD2 4.06Å |
| 320 | M | 86.4 | Confident | 81.1 | Confident | 24 Ų | 24 | 63.2 Ų | 63.2 | 12% | 0.118 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 174.6 | -71.7 | -65.5 | -76.3 | 0 | 0 | 111.7 | A262 K267 V268 T316 I317 L318 L322 H323 Y324 | A262-M320 HydrophobicContact CB-CE 4.29Å; A262-M320 HydrophobicContact CB-SD 3.4Å; A262-M320 WeakPolarHBondContact CB-SD 3.25Å; K267-M320 HydrophobicContact CD-CG 4.43Å; K267-M320 HydrophobicContact CD-SD 4.04Å; V268-M320 HydrophobicContact CG2-CG 4.22Å; T316-M320 WeakPolarHBondContact O-CB 3.5Å; T316-M320 WeakPolarHBondContact O-CG 3.4Å; T316-M320 PolarHBondContact O-N 2.88Å; I317-M320 PolarHBondContact O-N 3.41Å; L318-M320 VanDerWaalsContact C-N 3.3Å; L318-M320 PolarHBondContact O-N 2.91Å; M320-L322 VanDerWaalsContact C-N 3.3Å; M320-L322 PolarHBondContact O-N 2.89Å; M320-H323 PolarHBondContact O-N 2.93Å; M320-Y324 HydrophobicContact CE-CD2 4.34Å; M320-Y324 HydrophobicContact CE-CE2 3.62Å; M320-Y324 WeakPolarHBondContact O-CD2 3.48Å; M320-Y324 PolarHBondContact O-N 2.76Å; M320-Y324 HydrophobicContact SD-CE2 4.49Å |
| 321 | N | 87 | Confident | 79.9 | Confident | 112 Ų | 112 | 64.6 Ų | 64.6 | 60% | 0.599 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.4 | -40.8 | 174.7 | -168.9 | -44.2 | 0 | 0 | 0 | 111.5 | I317 L318 C325 | I317-N321 PolarHBondContact O-N 2.85Å; L318-N321 WeakPolarHBondContact O-CB 3.34Å; L318-N321 PolarHBondContact O-N 3.37Å; L318-N321 VanDerWaalsContact O-N 3.16Å; N321-C325 PolarHBondContact O-N 2.75Å; N321-C325 PolarHBondContact O-SG 2.86Å; N321-C325 VanDerWaalsContact O-SG 3.42Å |
| 322 | L | 82.5 | Confident | 78.9 | Confident | 33 Ų | 33 | 59.1 Ų | 59.1 | 17% | 0.173 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.6 | -37.4 | 176 | -61.7 | 171.8 | 0 | 0 | 0 | 112.8 | L318 I319 M320 C325 W419 M426 | L318-L322 HydrophobicContact CG-CD1 4.32Å; L318-L322 VanDerWaalsContact O-CG 3.32Å; L318-L322 WeakPolarHBondContact O-CG 3.41Å; L318-L322 PolarHBondContact O-N 2.81Å; I319-L322 PolarHBondContact O-N 3.48Å; M320-L322 VanDerWaalsContact C-N 3.3Å; M320-L322 PolarHBondContact O-N 2.89Å; L322-C325 WeakPolarHBondContact O-CB 3.27Å; L322-C325 PolarHBondContact O-N 3.4Å; L322-W419 HydrophobicContact CB-CE3 4.38Å; L322-W419 HydrophobicContact CD2-CE3 4.25Å; L322-W419 HydrophobicContact CD2-CH2 4.41Å; L322-W419 HydrophobicContact CD2-CZ3 3.71Å; L322-M426 HydrophobicContact CD1-CE 4.15Å; L322-M426 HydrophobicContact CD1-SD 3.95Å |
| 323 | H | 83.7 | Confident | 78.1 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 6% | 0.056 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66 | -41 | 177.9 | -175.4 | 82.9 | 0 | 0 | 0 | 112.3 | A262 D263 I319 M320 C325 A423 | A262-H323 HydrophobicContact CB-CB 4.27Å; A262-H323 VanDerWaalsContact CB-CD2 3.48Å; A262-H323 WeakPolarHBondContact CB-CD2 3.47Å; D263-H323 IonicContact OD1-CD2 2.88Å; D263-H323 IonicContact OD1-CE1 2.75Å; D263-H323 IonicContact OD1-NE2 2.63Å; D263-H323 PolarHBondContact OD1-NE2 2.86Å; I319-H323 WeakPolarHBondContact O-CB 3.36Å; I319-H323 PolarHBondContact O-N 2.77Å; M320-H323 PolarHBondContact O-N 2.93Å; H323-C325 VanDerWaalsContact C-N 3.29Å; H323-C325 PolarHBondContact O-N 3.42Å; H323-A423 HydrophobicContact CB-CB 4.17Å |
| 324 | Y | 82.1 | Confident | 77.2 | Confident | 128 Ų | 128 | 64.9 Ų | 64.9 | 50% | 0.502 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 18.7 | 177.3 | -68.9 | -72.9 | 0 | 0 | 0 | 113.8 | A262 M320 G326 | A262-Y324 PolarHBondContact O-OH 3Å; M320-Y324 HydrophobicContact CE-CD2 4.34Å; M320-Y324 HydrophobicContact CE-CE2 3.62Å; M320-Y324 WeakPolarHBondContact O-CD2 3.48Å; M320-Y324 PolarHBondContact O-N 2.76Å; M320-Y324 HydrophobicContact SD-CE2 4.49Å; Y324-G326 PolarHBondContact O-N 2.7Å |
| 325 | C | 75 | Confident | 76.5 | Confident | 25 Ų | 25 | 70.8 Ų | 70.8 | 17% | 0.169 | 39% | 0.39 | C | S | . | . | trans | -55.1 | 117.2 | 171.6 | -87.3 | 0 | 0 | 0 | 0 | 110.2 | N321 L322 H323 A329 H416 W419 | N321-C325 PolarHBondContact O-N 2.75Å; N321-C325 PolarHBondContact O-SG 2.86Å; N321-C325 VanDerWaalsContact O-SG 3.42Å; L322-C325 WeakPolarHBondContact O-CB 3.27Å; L322-C325 PolarHBondContact O-N 3.4Å; H323-C325 VanDerWaalsContact C-N 3.29Å; H323-C325 PolarHBondContact O-N 3.42Å; C325-A329 HydrophobicContact CB-CB 4.06Å; C325-H416 PolarHBondContact O-ND1 2.78Å; C325-H416 VanDerWaalsContact O-ND1 3.14Å; C325-W419 HydrophobicContact CB-CG 4.32Å | ||
| 326 | G | 63.8 | Low | 75.5 | Confident | 40 Ų | 40 | 70 Ų | 70 | 41% | 0.412 | 39% | 0.386 | S | S | . | . | trans | -67.8 | 173.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y324 S328 A329 | Y324-G326 PolarHBondContact O-N 2.7Å; G326-S328 PolarHBondContact O-N 3.22Å; G326-A329 VanDerWaalsContact O-CB 3.24Å; G326-A329 WeakPolarHBondContact O-CB 3.34Å; G326-A329 PolarHBondContact O-N 3.37Å | ||
| 327 | P | 55.4 | Low | 74.6 | Confident | 114 Ų | 114 | 74.9 Ų | 74.9 | 74% | 0.74 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -11.7 | -174.9 | 24.1 | -33.4 | 0 | 0 | 0 | 114.9 | ||
| 328 | S | 57.6 | Low | 73.5 | Confident | 123 Ų | 123 | 73.6 Ų | 73.6 | 86% | 0.86 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 7.5 | 175.8 | -46.9 | 0 | 0 | 0 | 0 | 113.7 | G326 | G326-S328 PolarHBondContact O-N 3.22Š|
| 329 | A | 61.9 | Low | 72.7 | Confident | 34 Ų | 34 | 74.2 Ų | 74.2 | 28% | 0.281 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 138.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | C325 G326 | C325-A329 HydrophobicContact CB-CB 4.06Å; G326-A329 VanDerWaalsContact O-CB 3.24Å; G326-A329 WeakPolarHBondContact O-CB 3.34Å; G326-A329 PolarHBondContact O-N 3.37Å |
| 330 | R | 65.3 | Low | 71.6 | Confident | 219 Ų | 219 | 75.6 Ų | 75.6 | 83% | 0.826 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 148 | 172.5 | -67.8 | -174.6 | -175.9 | -170.2 | 1.7 | 109.5 | W419 | R330-W419 PolarHBondContact O-NE1 2.82Š|
| 331 | P | 66.9 | Low | 70.4 | Confident | 100 Ų | 100 | 76.1 Ų | 76.1 | 65% | 0.649 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -56 | 144.6 | 175.2 | 24.5 | -33.8 | 0 | 0 | 0 | 110.3 | ||
| 332 | V | 70.3 | Confident | 69.3 | Low | 10 Ų | 10 | 72.2 Ų | 72.2 | 6% | 0.061 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -50.1 | 127.1 | 178.3 | -179 | 0 | 0 | 0 | 0 | 109.1 | A334 A336 D418 W419 L422 | V332-A334 PolarHBondContact O-N 2.79Å; V332-A336 HydrophobicContact CG1-CB 3.98Å; V332-D418 HydrophobicContact CG2-CB 4.09Å; V332-W419 HydrophobicContact CG2-CD2 3.79Å; V332-W419 HydrophobicContact CG2-CE3 4.3Å; V332-W419 HydrophobicContact CG2-CG 4.06Å; V332-W419 HydrophobicContact CG2-CZ2 4.04Å; V332-L422 HydrophobicContact CG1-CD2 4.27Å |
| 333 | P | 75.8 | Confident | 68.3 | Low | 52 Ų | 52 | 77.4 Ų | 77.4 | 34% | 0.338 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -53 | 140 | -179.8 | -25 | 31.9 | 0 | 0 | 0 | 111.7 | W335 A336 R337 | P333-W335 VanDerWaalsContact CB-CD1 3.47Å; P333-W335 HydrophobicContact CB-CG 4.25Å; P333-W335 PolarHBondContact O-N 3.27Å; P333-W335 VanDerWaalsContact O-N 3.17Å; P333-A336 HydrophobicContact CB-CB 4.34Å; P333-A336 PolarHBondContact O-N 2.86Å; P333-R337 PolarHBondContact O-N 2.89Å |
| 334 | A | 71.9 | Confident | 67.3 | Low | 85 Ų | 85 | 78 Ų | 78 | 70% | 0.702 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -57.5 | -34.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | V332 R337 A338 | V332-A334 PolarHBondContact O-N 2.79Å; A334-R337 PolarHBondContact O-N 2.75Å; A334-A338 PolarHBondContact O-N 3.4Å; A334-A338 VanDerWaalsContact O-N 3.08Å |
| 335 | W | 76.3 | Confident | 66.3 | Low | 178 Ų | 178 | 72.7 Ų | 72.7 | 67% | 0.674 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.5 | -42.7 | 174.9 | 69.7 | -98.7 | 0 | 0 | 0 | 112.1 | P333 R337 A338 L339 | P333-W335 VanDerWaalsContact CB-CD1 3.47Å; P333-W335 HydrophobicContact CB-CG 4.25Å; P333-W335 PolarHBondContact O-N 3.27Å; P333-W335 VanDerWaalsContact O-N 3.17Å; W335-R337 VanDerWaalsContact C-N 3.32Å; W335-R337 PolarHBondContact O-N 2.92Å; W335-A338 PolarHBondContact O-N 3.13Å; W335-L339 VanDerWaalsContact O-CB 3.31Å; W335-L339 WeakPolarHBondContact O-CB 3.36Å; W335-L339 PolarHBondContact O-N 3.12Å |
| 336 | A | 68.6 | Low | 65.6 | Low | 4 Ų | 4 | 79 Ų | 79 | 3% | 0.033 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -68.2 | -36.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V332 P333 L340 | V332-A336 HydrophobicContact CG1-CB 3.98Å; P333-A336 HydrophobicContact CB-CB 4.34Å; P333-A336 PolarHBondContact O-N 2.86Å; A336-L340 HydrophobicContact CB-CD1 4.37Å; A336-L340 VanDerWaalsContact O-CB 3.28Å; A336-L340 WeakPolarHBondContact O-CB 3.21Å; A336-L340 PolarHBondContact O-N 2.89Å |
| 337 | R | 70.3 | Confident | 65.3 | Low | 104 Ų | 104 | 81.3 Ų | 81.3 | 39% | 0.392 | 45% | 0.452 | S | S | . | . | I | π-helix | trans | -63.6 | -46.3 | 174.8 | -156.7 | 179.2 | -158.1 | 110.2 | 6.2 | 111.9 | P333 A334 W335 L341 G342 D418 | P333-R337 PolarHBondContact O-N 2.89Å; A334-R337 PolarHBondContact O-N 2.75Å; W335-R337 VanDerWaalsContact C-N 3.32Å; W335-R337 PolarHBondContact O-N 2.92Å; R337-L341 HydrophobicContact CG-CD1 4.43Å; R337-L341 VanDerWaalsContact O-CB 3.31Å; R337-L341 WeakPolarHBondContact O-CB 3.4Å; R337-L341 PolarHBondContact O-N 2.93Å; R337-L341 VanDerWaalsContact O-N 3.13Å; R337-G342 PolarHBondContact O-N 2.86Å; R337-D418 IonicContact CZ-OD2 3.35Å; R337-D418 IonicContact NH1-OD2 3.18Å; R337-D418 PolarHBondContact NH1-OD2 2.94Å; R337-D418 IonicContact NH2-OD1 3.25Å; R337-D418 PolarHBondContact NH2-OD1 3.13Å; R337-D418 IonicContact NH2-OD2 2.69Å; R337-D418 PolarHBondContact NH2-OD2 2.88Å |
| 338 | A | 67.6 | Low | 65.4 | Low | 61 Ų | 61 | 78.5 Ų | 78.5 | 50% | 0.504 | 43% | 0.431 | S | S | . | . | I | π-helix | trans | -68.4 | -42.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A334 W335 G342 H343 | A334-A338 PolarHBondContact O-N 3.4Å; A334-A338 VanDerWaalsContact O-N 3.08Å; W335-A338 PolarHBondContact O-N 3.13Å; A338-G342 VanDerWaalsContact O-CA 3.32Å; A338-G342 WeakPolarHBondContact O-CA 3.39Å; A338-G342 PolarHBondContact O-N 3.49Å; A338-H343 PolarHBondContact O-N 2.99Å |
| 339 | L | 70.4 | Confident | 65.1 | Low | 101 Ų | 101 | 77.6 Ų | 77.6 | 53% | 0.529 | 42% | 0.423 | S | S | . | . | I | π-helix | trans | -79.8 | -42.6 | -173.2 | -140.7 | 150.7 | 0 | 0 | 0 | 112.2 | W335 L344 | W335-L339 VanDerWaalsContact O-CB 3.31Å; W335-L339 WeakPolarHBondContact O-CB 3.36Å; W335-L339 PolarHBondContact O-N 3.12Å; L339-L344 PolarHBondContact O-N 2.87Å |
| 340 | L | 65.4 | Low | 64.6 | Low | 29 Ų | 29 | 78.1 Ų | 78.1 | 15% | 0.152 | 42% | 0.423 | C | S | . | . | I | π-helix | trans | -92 | -43 | -175.5 | -68.8 | 152.4 | 0 | 0 | 0 | 113.2 | A336 L344 A345 L422 M426 | A336-L340 HydrophobicContact CB-CD1 4.37Å; A336-L340 VanDerWaalsContact O-CB 3.28Å; A336-L340 WeakPolarHBondContact O-CB 3.21Å; A336-L340 PolarHBondContact O-N 2.89Å; L340-L344 HydrophobicContact CD2-CD1 3.51Å; L340-L344 HydrophobicContact CG-CD1 4.36Å; L340-L344 WeakPolarHBondContact O-CB 3.42Å; L340-A345 PolarHBondContact O-N 2.67Å; L340-L422 HydrophobicContact CB-CD1 3.5Å; L340-L422 VanDerWaalsContact CB-CD1 3.5Å; L340-L422 HydrophobicContact CD1-CD1 3.59Å; L340-L422 HydrophobicContact CD1-CG 4.49Å; L340-L422 HydrophobicContact CG-CD1 4.09Å; L340-M426 HydrophobicContact CD2-CG 4.24Å |
| 341 | L | 61.8 | Low | 63.5 | Low | 35 Ų | 35 | 76 Ų | 76 | 18% | 0.183 | 42% | 0.423 | C | S | . | . | I | π-helix | trans | -85.3 | -25.2 | 177.8 | -75.8 | 91.1 | 0 | 0 | 0 | 113.4 | R337 A345 R421 L422 | R337-L341 HydrophobicContact CG-CD1 4.43Å; R337-L341 VanDerWaalsContact O-CB 3.31Å; R337-L341 WeakPolarHBondContact O-CB 3.4Å; R337-L341 PolarHBondContact O-N 2.93Å; R337-L341 VanDerWaalsContact O-N 3.13Å; L341-A345 VanDerWaalsContact O-CB 3.28Å; L341-A345 WeakPolarHBondContact O-CB 3.44Å; L341-R421 HydrophobicContact CD2-CG 4.18Å; L341-L422 HydrophobicContact CD1-CD1 3.85Å |
| 342 | G | 61.9 | Low | 62.3 | Low | 29 Ų | 29 | 75.7 Ų | 75.7 | 30% | 0.299 | 41% | 0.412 | S | S | . | . | I | π-helix | trans | -82.6 | -72.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | R337 A338 | R337-G342 PolarHBondContact O-N 2.86Å; A338-G342 VanDerWaalsContact O-CA 3.32Å; A338-G342 WeakPolarHBondContact O-CA 3.39Å; A338-G342 PolarHBondContact O-N 3.49Å |
| 343 | H | 63.3 | Low | 60.7 | Low | 143 Ų | 143 | 87.8 Ų | 87.8 | 66% | 0.662 | 46% | 0.457 | S | S | * | . | I | π-helix | trans | -74 | -44.9 | -171.9 | -72.9 | -75.7 | 0 | 0 | 0 | 114.1 | A338 S347 | A338-H343 PolarHBondContact O-N 2.99Å; H343-S347 PolarHBondContact O-N 2.71Å |
| 344 | L | 61.8 | Low | 58.9 | Low | 24 Ų | 24 | 88.5 Ų | 88.5 | 13% | 0.126 | 47% | 0.473 | C | S | . | . | I | π-helix | trans | -75.1 | -39.2 | -174.4 | -93.5 | 153.8 | 0 | 0 | 0 | 113.3 | L339 L340 Q346 S347 L348 V425 F429 | L339-L344 PolarHBondContact O-N 2.87Å; L340-L344 HydrophobicContact CD2-CD1 3.51Å; L340-L344 HydrophobicContact CG-CD1 4.36Å; L340-L344 WeakPolarHBondContact O-CB 3.42Å; L344-Q346 VanDerWaalsContact C-N 3.32Å; L344-Q346 PolarHBondContact O-N 2.93Å; L344-S347 PolarHBondContact O-N 3.41Å; L344-S347 PolarHBondContact O-OG 3.35Å; L344-L348 HydrophobicContact CD2-CD1 3.89Å; L344-L348 WeakPolarHBondContact O-CB 3.5Å; L344-L348 PolarHBondContact O-N 3.4Å; L344-V425 HydrophobicContact CB-CG1 4.11Å; L344-F429 HydrophobicContact CD2-CB 4.21Å; L344-F429 HydrophobicContact CD2-CD2 3.2Å; L344-F429 HydrophobicContact CD2-CE2 3.59Å; L344-F429 HydrophobicContact CD2-CG 3.8Å; L344-F429 HydrophobicContact CD2-CZ 4.46Å |
| 345 | A | 60 | Low | 57 | Low | 16 Ų | 16 | 92.1 Ų | 92.1 | 13% | 0.132 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -63.9 | -34.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L340 L341 V350 | L340-A345 PolarHBondContact O-N 2.67Å; L341-A345 VanDerWaalsContact O-CB 3.28Å; L341-A345 WeakPolarHBondContact O-CB 3.44Å; A345-V350 PolarHBondContact O-N 3.08Å |
| 346 | Q | 60.9 | Low | 54.7 | Low | 159 Ų | 159 | 89.7 Ų | 89.7 | 74% | 0.743 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69.6 | -39.6 | 172.5 | -90.4 | 174.9 | -23.9 | 0 | 0 | 112.4 | L344 | L344-Q346 VanDerWaalsContact C-N 3.32Å; L344-Q346 PolarHBondContact O-N 2.93Å |
| 347 | S | 57.3 | Low | 52.8 | Low | 87 Ų | 87 | 96 Ų | 96 | 61% | 0.608 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.3 | -30.9 | 179.4 | 81.9 | 0 | 0 | 0 | 0 | 113.8 | H343 L344 | H343-S347 PolarHBondContact O-N 2.71Å; L344-S347 PolarHBondContact O-N 3.41Å; L344-S347 PolarHBondContact O-OG 3.35Å |
| 348 | L | 58 | Low | 51.2 | Low | 56 Ų | 56 | 94 Ų | 94 | 29% | 0.293 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 9.1 | -176.7 | -90.5 | 139.8 | 0 | 0 | 0 | 113.9 | L344 V350 R428 F429 | L344-L348 HydrophobicContact CD2-CD1 3.89Å; L344-L348 WeakPolarHBondContact O-CB 3.5Å; L344-L348 PolarHBondContact O-N 3.4Å; L348-V350 HydrophobicContact CB-CG2 4.16Å; L348-V350 PolarHBondContact O-N 2.94Å; L348-V350 VanDerWaalsContact O-N 3.1Å; L348-R428 HydrophobicContact CD2-CB 3.95Å; L348-F429 HydrophobicContact CD1-CB 3.9Å; L348-F429 HydrophobicContact CD1-CD2 4.25Å |
| 349 | C | 51.3 | Low | 49.4 | Very low | 103 Ų | 103 | 99.6 Ų | 99.6 | 70% | 0.696 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 41.4 | 48.4 | -177.6 | -75.5 | 0 | 0 | 0 | 0 | 112.6 | Q351 | C349-Q351 PolarHBondContact O-N 3.41Š|
| 350 | V | 51.8 | Low | 47.5 | Very low | 46 Ų | 46 | 100.4 Ų | 100.4 | 28% | 0.279 | 57% | 0.566 | S | S | . | * | trans | -76 | 75.7 | 171 | -172.7 | 0 | 0 | 0 | 0 | 107.2 | A345 L348 E352 | A345-V350 PolarHBondContact O-N 3.08Å; L348-V350 HydrophobicContact CB-CG2 4.16Å; L348-V350 PolarHBondContact O-N 2.94Å; L348-V350 VanDerWaalsContact O-N 3.1Å; V350-E352 PolarHBondContact O-N 2.78Å | ||
| 351 | Q | 41.3 | Very low | 45.6 | Very low | 175 Ų | 175 | 109.8 Ų | 109.8 | 82% | 0.818 | 60% | 0.6 | S | S | * | * | trans | -69.2 | 113.2 | 174.6 | -163 | 129 | 9 | 0 | 0 | 107.8 | C349 R353 | C349-Q351 PolarHBondContact O-N 3.41Å; Q351-R353 PolarHBondContact O-N 2.89Å | ||
| 352 | E | 42.5 | Very low | 43.9 | Very low | 93 Ų | 93 | 112.9 Ų | 112.9 | 44% | 0.435 | 62% | 0.624 | S | S | . | * | trans | -61.9 | 107.6 | 170.2 | -75.9 | -168.1 | 125.4 | 0 | 0 | 108.3 | V350 G354 R421 | V350-E352 PolarHBondContact O-N 2.78Å; E352-G354 PolarHBondContact O-N 2.85Å; E352-R421 VanDerWaalsContact CD-CZ 3.4Å; E352-R421 VanDerWaalsContact CD-NH1 3.32Å; E352-R421 IonicContact OE1-CZ 3.16Å; E352-R421 IonicContact OE1-NE 3.89Å; E352-R421 IonicContact OE1-NH1 2.93Å; E352-R421 PolarHBondContact OE1-NH1 2.96Å; E352-R421 IonicContact OE1-NH2 3.33Å; E352-R421 PolarHBondContact OE1-NH2 3.19Å; E352-R421 IonicContact OE2-CZ 3.34Å; E352-R421 IonicContact OE2-NH1 3.09Å; E352-R421 PolarHBondContact OE2-NH1 3.38Å; E352-R421 VanDerWaalsContact OE2-NH1 3.09Å; E352-R421 IonicContact OE2-NH2 2.84Å; E352-R421 PolarHBondContact OE2-NH2 2.93Å | ||
| 353 | R | 37.5 | Very low | 42.4 | Very low | 264 Ų | 264 | 118 Ų | 118 | 100% | 0.996 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 78.1 | 163.3 | -150.6 | 177.7 | -167.5 | 175.6 | 3.5 | 106.2 | Q351 | Q351-R353 PolarHBondContact O-N 2.89Š|
| 354 | G | 38.1 | Very low | 40.6 | Very low | 66 Ų | 66 | 120.6 Ų | 120.6 | 68% | 0.68 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 177.2 | 3.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | E352 | E352-G354 PolarHBondContact O-N 2.85Š|
| 355 | E | 30.6 | Very low | 39.2 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 75% | 0.752 | 70% | 0.699 | S | S | * | * | trans | -109.7 | 126.4 | 170 | -73.2 | -160.1 | 127.3 | 0 | 0 | 111.7 | C357 | E355-C357 PolarHBondContact O-N 3.22Š| ||
| 356 | P | 28.7 | Very low | 37.8 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | -62.7 | 121.5 | 172.7 | -14.8 | 27.5 | 0 | 0 | 0 | 109.8 | G358 | P356-G358 PolarHBondContact O-N 2.88Š| ||
| 357 | C | 27.8 | Very low | 36.5 | Very low | 138 Ų | 138 | 130 Ų | 130 | 93% | 0.932 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -59.1 | 127.4 | 169.2 | -84.6 | 0 | 0 | 0 | 0 | 110.3 | E355 | E355-C357 PolarHBondContact O-N 3.22Š|
| 358 | G | 37.7 | Very low | 35.1 | Very low | 61 Ų | 61 | 131 Ų | 131 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | trans | 116.4 | 84.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | P356 | P356-G358 PolarHBondContact O-N 2.88Š| ||
| 359 | Q | 28.5 | Very low | 34.2 | Very low | 179 Ų | 179 | 134.3 Ų | 134.3 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | trans | -161.9 | 101.8 | 134.2 | -106.7 | 163.6 | 66.2 | 0 | 0 | 109.7 | R361 | Q359-R361 PolarHBondContact O-N 2.89Š| ||
| 360 | S | 31 | Very low | 33 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -57.1 | 117.5 | 158.5 | 165.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 361 | R | 24.9 | Very low | 31.9 | Very low | 227 Ų | 227 | 142 Ų | 142 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | -125.4 | 116.5 | 157.9 | -94.8 | -173.5 | 171.8 | 179.6 | -3.4 | 109.5 | Q359 | Q359-R361 PolarHBondContact O-N 2.89Š| ||
| 362 | S | 26.3 | Very low | 31.9 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 159 | 168.4 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | E364 | S362-E364 PolarHBondContact O-N 2.88Š|
| 363 | P | 30.6 | Very low | 31.3 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 116.5 | -174.1 | 30.2 | -30.6 | 0 | 0 | 0 | 110.1 | ||
| 364 | E | 27.1 | Very low | 31.1 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 136.4 | 174.3 | -151 | 165.8 | -177.3 | 0 | 0 | 110.9 | S362 | S362-E364 PolarHBondContact O-N 2.88Š|
| 365 | L | 31.4 | Very low | 30.7 | Very low | 161 Ų | 161 | 137 Ų | 137 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 149.7 | -164.1 | -157.4 | 69.5 | 0 | 0 | 0 | 112.8 | ||
| 366 | S | 31.3 | Very low | 30.7 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 75% | 0.748 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 150.1 | 174.8 | -36.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 367 | P | 31.8 | Very low | 31 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | trans | -111.1 | 120 | 154 | 25.3 | -9.8 | 0 | 0 | 0 | 111.5 | ||||
| 368 | S | 28.4 | Very low | 31.8 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | trans | -78.6 | 161.5 | 161 | 40 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 369 | P | 38.8 | Very low | 32.3 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | -86.9 | 145.9 | -160.3 | 33.7 | -32.6 | 0 | 0 | 0 | 113.3 | ||||
| 370 | Q | 27.3 | Very low | 32.9 | Very low | 197 Ų | 197 | 130.6 Ų | 130.6 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | -128.9 | 137.8 | 165.5 | -73.6 | -172.4 | -10.7 | 0 | 0 | 111.4 | ||||
| 371 | S | 28.9 | Very low | 33 | Very low | 113 Ų | 113 | 128 Ų | 128 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -77 | 162.8 | 178.7 | 39 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 372 | P | 40.2 | Very low | 33.9 | Very low | 127 Ų | 127 | 123.3 Ų | 123.3 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | -93.6 | 134.3 | -177.5 | 34.4 | -28.2 | 0 | 0 | 0 | 112.5 | ||||
| 373 | E | 31.2 | Very low | 34.3 | Very low | 202 Ų | 202 | 125 Ų | 125 | 94% | 0.944 | 83% | 0.832 | S | S | * | * | trans | -128.2 | 149.2 | 158.8 | -82.7 | -163.4 | 139.9 | 0 | 0 | 109.9 | ||||
| 374 | G | 32.7 | Very low | 35.1 | Very low | 86 Ų | 86 | 127 Ų | 127 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | trans | -94.2 | -176.6 | -154.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 375 | G | 28.4 | Very low | 36.1 | Very low | 77 Ų | 77 | 126.1 Ų | 126.1 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | 162.5 | 97.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 376 | A | 31.7 | Very low | 37.5 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 88% | 0.884 | 82% | 0.822 | S | S | * | * | trans | 46.8 | 127.1 | 145.1 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 377 | G | 34.2 | Very low | 38.3 | Very low | 74 Ų | 74 | 130 Ų | 130 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | trans | -72.4 | -172.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 378 | P | 46.2 | Very low | 39.3 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | cis | -148.6 | -160.3 | 45.5 | 41.5 | -19.6 | 0 | 0 | 0 | 114.9 | ||||
| 379 | P | 46.7 | Very low | 40.6 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | cis | -116.1 | 163.5 | -48 | 30.7 | -13.6 | 0 | 0 | 0 | 113.4 | ||||
| 380 | A | 41.3 | Very low | 41.4 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78 | 142.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 381 | G | 34.5 | Very low | 42.6 | Very low | 63 Ų | 63 | 125.7 Ų | 125.7 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 152.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | C383 | G381-C383 PolarHBondContact O-N 2.9Š|
| 382 | P | 43.4 | Very low | 44 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 116.7 | -171.3 | 31.1 | -30.6 | 0 | 0 | 0 | 111.7 | ||
| 383 | C | 34.8 | Very low | 45.4 | Very low | 135 Ų | 135 | 127 Ų | 127 | 91% | 0.912 | 78% | 0.779 | S | S | * | * | trans | -95 | 114.8 | 160.4 | -75 | 0 | 0 | 0 | 0 | 109.1 | G381 | G381-C383 PolarHBondContact O-N 2.9Š| ||
| 384 | H | 47.5 | Very low | 47.3 | Very low | 181 Ų | 181 | 119.6 Ų | 119.6 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -86.5 | 113.4 | 167.4 | -105.1 | -81.2 | 0 | 0 | 0 | 109 | ||||
| 385 | E | 47.2 | Very low | 49.4 | Very low | 177 Ų | 177 | 120.2 Ų | 120.2 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | trans | -164.6 | 130.4 | 140.7 | -122.3 | 175.3 | 165.2 | 0 | 0 | 111.7 | ||||
| 386 | P | 60.8 | Low | 51.9 | Low | 121 Ų | 121 | 122 Ų | 122 | 79% | 0.786 | 73% | 0.725 | S | S | * | * | trans | -97.3 | 96.9 | 178.1 | 34.6 | -25.8 | 0 | 0 | 0 | 110.2 | ||||
| 387 | R | 49.4 | Very low | 54.3 | Low | 228 Ų | 228 | 123.2 Ų | 123.2 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | trans | -142.6 | 104.2 | 163.2 | -80.9 | -168 | 167.7 | -178.5 | -3.5 | 112 | ||||
| 388 | C | 52.9 | Low | 56.8 | Low | 95 Ų | 95 | 125.8 Ų | 125.8 | 64% | 0.642 | 70% | 0.704 | S | S | * | * | trans | 26.8 | 90.8 | 157.5 | -62.5 | 0 | 0 | 0 | 0 | 118.9 | C390 H391 | C388-C390 PolarHBondContact O-N 3.27Å; C388-H391 PolarHBondContact O-N 2.83Å | ||
| 389 | L | 53.9 | Low | 58.8 | Low | 144 Ų | 144 | 123.7 Ų | 123.7 | 75% | 0.754 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -56.6 | -24.5 | 167.7 | -84.9 | 151.7 | 0 | 0 | 0 | 114.2 | H391 Q392 E393 | L389-H391 PolarHBondContact O-N 2.73Å; L389-Q392 PolarHBondContact O-N 2.97Å; L389-E393 PolarHBondContact O-N 3.09Å |
| 390 | C | 55.7 | Low | 60.7 | Low | 94 Ų | 94 | 120 Ų | 120 | 64% | 0.635 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -72.2 | -27.4 | -178.5 | 1.1 | 0 | 0 | 0 | 0 | 113.8 | C388 A394 | C388-C390 PolarHBondContact O-N 3.27Å; C390-A394 PolarHBondContact O-N 3.01Å |
| 391 | H | 53.3 | Low | 62.9 | Low | 137 Ų | 137 | 118.3 Ų | 118.3 | 63% | 0.634 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -75.8 | -29.6 | 176.5 | -166.7 | 68.6 | 0 | 0 | 0 | 111.6 | C388 L389 L395 | C388-H391 PolarHBondContact O-N 2.83Å; L389-H391 PolarHBondContact O-N 2.73Å; H391-L395 PolarHBondContact O-N 2.87Å |
| 392 | Q | 58.5 | Low | 65.5 | Low | 128 Ų | 128 | 120.9 Ų | 120.9 | 60% | 0.598 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -78.2 | -33.1 | 180 | -160.7 | 158.4 | -19.6 | 0 | 0 | 112.2 | L389 L395 L396 | L389-Q392 PolarHBondContact O-N 2.97Å; Q392-L395 PolarHBondContact O-N 3.31Å; Q392-L396 WeakPolarHBondContact O-CB 3.44Å; Q392-L396 WeakPolarHBondContact O-CG 3.46Å; Q392-L396 PolarHBondContact O-N 3.48Å |
| 393 | E | 68.9 | Low | 67.7 | Low | 140 Ų | 140 | 116.6 Ų | 116.6 | 65% | 0.654 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.9 | -42.9 | 168.9 | -86.6 | 178.8 | 152.7 | 0 | 0 | 112.6 | L389 L395 L396 H397 | L389-E393 PolarHBondContact O-N 3.09Å; E393-L395 VanDerWaalsContact C-N 3.33Å; E393-L395 PolarHBondContact O-N 3.46Å; E393-L396 PolarHBondContact O-N 3.25Å; E393-H397 WeakPolarHBondContact O-CB 3.41Å; E393-H397 PolarHBondContact O-N 3.22Å |
| 394 | A | 71.2 | Confident | 70.2 | Confident | 45 Ų | 45 | 114.6 Ų | 114.6 | 37% | 0.372 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.2 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | C390 H397 H398 | C390-A394 PolarHBondContact O-N 3.01Å; A394-H397 PolarHBondContact O-N 3.43Å; A394-H398 PolarHBondContact O-CD2 2.93Å; A394-H398 PolarHBondContact O-N 3.06Å |
| 395 | L | 77.9 | Confident | 72.1 | Confident | 99 Ų | 99 | 110 Ų | 110 | 52% | 0.518 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.8 | -40.6 | 179.3 | -149.1 | 140.5 | 0 | 0 | 0 | 111.9 | H391 Q392 E393 H397 H398 V399 | H391-L395 PolarHBondContact O-N 2.87Å; Q392-L395 PolarHBondContact O-N 3.31Å; E393-L395 VanDerWaalsContact C-N 3.33Å; E393-L395 PolarHBondContact O-N 3.46Å; L395-H397 VanDerWaalsContact C-N 3.32Å; L395-H397 PolarHBondContact O-N 3.47Å; L395-H398 PolarHBondContact O-N 2.75Å; L395-V399 HydrophobicContact CD2-CG2 4.42Å; L395-V399 WeakPolarHBondContact O-CG2 3.49Å; L395-V399 PolarHBondContact O-N 2.59Å |
| 396 | L | 80.9 | Confident | 73.9 | Confident | 115 Ų | 115 | 107.1 Ų | 107.1 | 60% | 0.602 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.4 | -38.2 | 170.7 | -78 | 169.1 | 0 | 0 | 0 | 112 | Q392 E393 V399 A400 | Q392-L396 WeakPolarHBondContact O-CB 3.44Å; Q392-L396 WeakPolarHBondContact O-CG 3.46Å; Q392-L396 PolarHBondContact O-N 3.48Å; E393-L396 PolarHBondContact O-N 3.25Å; L396-V399 PolarHBondContact O-N 3.38Å; L396-A400 VanDerWaalsContact O-CB 3.27Å; L396-A400 WeakPolarHBondContact O-CB 3.35Å; L396-A400 PolarHBondContact O-N 2.59Å |
| 397 | H | 82.1 | Confident | 75.1 | Confident | 133 Ų | 133 | 109 Ų | 109 | 62% | 0.616 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.3 | -40.4 | 176.2 | -166.6 | 30.2 | 0 | 0 | 0 | 111.9 | E393 A394 L395 A400 T401 | E393-H397 WeakPolarHBondContact O-CB 3.41Å; E393-H397 PolarHBondContact O-N 3.22Å; A394-H397 PolarHBondContact O-N 3.43Å; L395-H397 VanDerWaalsContact C-N 3.32Å; L395-H397 PolarHBondContact O-N 3.47Å; H397-A400 PolarHBondContact O-N 3.36Å; H397-T401 WeakPolarHBondContact O-CB 3.25Å; H397-T401 PolarHBondContact O-N 2.67Å; H397-T401 PolarHBondContact O-OG1 2.94Å |
| 398 | H | 85.3 | Confident | 76.7 | Confident | 127 Ų | 127 | 101.6 Ų | 101.6 | 59% | 0.588 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.1 | -44.3 | 172.7 | -75.3 | -58.6 | 0 | 0 | 0 | 112.2 | A394 L395 T401 I402 | A394-H398 PolarHBondContact O-CD2 2.93Å; A394-H398 PolarHBondContact O-N 3.06Å; L395-H398 PolarHBondContact O-N 2.75Å; H398-T401 PolarHBondContact O-N 2.95Å; H398-I402 WeakPolarHBondContact O-CB 3.41Å; H398-I402 WeakPolarHBondContact O-CD1 3.33Å; H398-I402 VanDerWaalsContact O-CG1 3.23Å; H398-I402 WeakPolarHBondContact O-CG1 3.31Å; H398-I402 PolarHBondContact O-N 3.45Å |
| 399 | V | 88.1 | Confident | 78.1 | Confident | 83 Ų | 83 | 102.4 Ų | 102.4 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 175.7 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | L395 L396 T401 I402 A403 | L395-V399 HydrophobicContact CD2-CG2 4.42Å; L395-V399 WeakPolarHBondContact O-CG2 3.49Å; L395-V399 PolarHBondContact O-N 2.59Å; L396-V399 PolarHBondContact O-N 3.38Å; V399-T401 VanDerWaalsContact C-N 3.32Å; V399-T401 PolarHBondContact O-N 3.22Å; V399-I402 PolarHBondContact O-N 3.21Å; V399-A403 VanDerWaalsContact O-CB 3.25Å; V399-A403 WeakPolarHBondContact O-CB 3.4Å; V399-A403 PolarHBondContact O-N 3.02Å |
| 400 | A | 86.7 | Confident | 79.5 | Confident | 45 Ų | 45 | 101.7 Ų | 101.7 | 37% | 0.372 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L396 H397 A403 N404 | L396-A400 VanDerWaalsContact O-CB 3.27Å; L396-A400 WeakPolarHBondContact O-CB 3.35Å; L396-A400 PolarHBondContact O-N 2.59Å; H397-A400 PolarHBondContact O-N 3.36Å; A400-A403 PolarHBondContact O-N 3.37Å; A400-N404 WeakPolarHBondContact O-CB 3.34Å; A400-N404 PolarHBondContact O-N 3.27Å |
| 401 | T | 88.5 | Confident | 80.6 | Confident | 66 Ų | 66 | 100 Ų | 100 | 41% | 0.405 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.5 | -47.4 | 176.3 | -53.1 | 0 | 0 | 0 | 0 | 110.7 | H397 H398 V399 A403 N404 T405 | H397-T401 WeakPolarHBondContact O-CB 3.25Å; H397-T401 PolarHBondContact O-N 2.67Å; H397-T401 PolarHBondContact O-OG1 2.94Å; H398-T401 PolarHBondContact O-N 2.95Å; V399-T401 VanDerWaalsContact C-N 3.32Å; V399-T401 PolarHBondContact O-N 3.22Å; T401-A403 VanDerWaalsContact C-N 3.33Å; T401-A403 PolarHBondContact O-N 3.01Å; T401-N404 PolarHBondContact O-N 3.36Å; T401-T405 WeakPolarHBondContact O-CB 3.22Å; T401-T405 PolarHBondContact O-N 2.82Å; T401-T405 PolarHBondContact O-OG1 3.24Å |
| 402 | I | 88.7 | Confident | 81.7 | Confident | 117 Ų | 117 | 94.9 Ų | 94.9 | 60% | 0.6 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.8 | -44.1 | 175.4 | -66.9 | 162.8 | 0 | 0 | 0 | 110.6 | H398 V399 N404 T405 F406 | H398-I402 WeakPolarHBondContact O-CB 3.41Å; H398-I402 WeakPolarHBondContact O-CD1 3.33Å; H398-I402 VanDerWaalsContact O-CG1 3.23Å; H398-I402 WeakPolarHBondContact O-CG1 3.31Å; H398-I402 PolarHBondContact O-N 3.45Å; V399-I402 PolarHBondContact O-N 3.21Å; I402-N404 PolarHBondContact O-N 2.87Å; I402-T405 PolarHBondContact O-N 2.83Å; I402-F406 VanDerWaalsContact O-CB 3.29Å; I402-F406 WeakPolarHBondContact O-CB 3.35Å; I402-F406 PolarHBondContact O-N 2.92Å |
| 403 | A | 89.7 | Confident | 82.7 | Confident | 39 Ų | 39 | 93.7 Ų | 93.7 | 32% | 0.322 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -38.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V399 A400 T401 R407 | V399-A403 VanDerWaalsContact O-CB 3.25Å; V399-A403 WeakPolarHBondContact O-CB 3.4Å; V399-A403 PolarHBondContact O-N 3.02Å; A400-A403 PolarHBondContact O-N 3.37Å; T401-A403 VanDerWaalsContact C-N 3.33Å; T401-A403 PolarHBondContact O-N 3.01Å; A403-R407 WeakPolarHBondContact O-CB 3.45Å; A403-R407 VanDerWaalsContact O-CG 3.31Å; A403-R407 WeakPolarHBondContact O-CG 3.46Å; A403-R407 PolarHBondContact O-N 3.49Å; A403-R407 PolarHBondContact O-NE 2.82Å |
| 404 | N | 87.8 | Confident | 83.2 | Confident | 92 Ų | 92 | 95.2 Ų | 95.2 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.6 | -42.8 | 174.5 | -85.6 | -2.5 | 0 | 0 | 0 | 112.3 | A400 T401 I402 F406 R407 S408 | A400-N404 WeakPolarHBondContact O-CB 3.34Å; A400-N404 PolarHBondContact O-N 3.27Å; T401-N404 PolarHBondContact O-N 3.36Å; I402-N404 PolarHBondContact O-N 2.87Å; N404-F406 VanDerWaalsContact C-N 3.32Å; N404-F406 PolarHBondContact O-N 3.47Å; N404-R407 PolarHBondContact O-N 3.03Å; N404-R407 PolarHBondContact OD1-NH2 2.91Å; N404-S408 PolarHBondContact O-N 2.88Å; N404-S408 PolarHBondContact O-OG 2.87Å |
| 405 | T | 85.8 | Confident | 83.5 | Confident | 84 Ų | 84 | 94.2 Ų | 94.2 | 52% | 0.515 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 175.1 | -53.6 | 0 | 0 | 0 | 0 | 111.3 | T401 I402 S408 H409 | T401-T405 WeakPolarHBondContact O-CB 3.22Å; T401-T405 PolarHBondContact O-N 2.82Å; T401-T405 PolarHBondContact O-OG1 3.24Å; I402-T405 PolarHBondContact O-N 2.83Å; T405-S408 WeakPolarHBondContact CA-OG 3.41Å; T405-S408 PolarHBondContact O-OG 2.94Å; T405-H409 WeakPolarHBondContact O-CB 3.45Å; T405-H409 PolarHBondContact O-N 2.8Å |
| 406 | F | 86.3 | Confident | 83.6 | Confident | 118 Ų | 118 | 92.1 Ų | 92.1 | 52% | 0.518 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69 | -37.7 | 176.3 | -165.8 | -105.1 | 0 | 0 | 0 | 112.1 | I402 N404 R410 | I402-F406 VanDerWaalsContact O-CB 3.29Å; I402-F406 WeakPolarHBondContact O-CB 3.35Å; I402-F406 PolarHBondContact O-N 2.92Å; N404-F406 VanDerWaalsContact C-N 3.32Å; N404-F406 PolarHBondContact O-N 3.47Å; F406-R410 HydrophobicContact CE1-CG 4.33Å; F406-R410 VanDerWaalsContact CE1-CZ 3.45Å; F406-R410 WeakPolarHBondContact O-CB 3.35Å; F406-R410 PolarHBondContact O-N 2.89Å |
| 407 | R | 85.4 | Confident | 83.5 | Confident | 161 Ų | 161 | 91 Ų | 91 | 61% | 0.608 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.2 | -44.2 | 173.8 | -80.7 | -173 | -75.9 | -162.7 | -0.2 | 112.3 | A403 N404 R410 A411 | A403-R407 WeakPolarHBondContact O-CB 3.45Å; A403-R407 VanDerWaalsContact O-CG 3.31Å; A403-R407 WeakPolarHBondContact O-CG 3.46Å; A403-R407 PolarHBondContact O-N 3.49Å; A403-R407 PolarHBondContact O-NE 2.82Å; N404-R407 PolarHBondContact O-N 3.03Å; N404-R407 PolarHBondContact OD1-NH2 2.91Å; R407-R410 PolarHBondContact O-N 2.95Å; R407-A411 WeakPolarHBondContact O-CB 3.17Å; R407-A411 PolarHBondContact O-N 3.37Å |
| 408 | S | 82.8 | Confident | 83.5 | Confident | 72 Ų | 72 | 86.5 Ų | 86.5 | 50% | 0.503 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 177 | 65.2 | 0 | 0 | 0 | 0 | 111.4 | N404 T405 A411 A412 | N404-S408 PolarHBondContact O-N 2.88Å; N404-S408 PolarHBondContact O-OG 2.87Å; T405-S408 WeakPolarHBondContact CA-OG 3.41Å; T405-S408 PolarHBondContact O-OG 2.94Å; S408-A411 PolarHBondContact O-N 3.49Å; S408-A412 WeakPolarHBondContact O-CB 3.41Å; S408-A412 PolarHBondContact O-N 3.24Å |
| 409 | H | 82.4 | Confident | 83.3 | Confident | 111 Ų | 111 | 82 Ų | 82 | 51% | 0.514 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 174.9 | -164.3 | -70.9 | 0 | 0 | 0 | 112.1 | T405 A412 Q413 | T405-H409 WeakPolarHBondContact O-CB 3.45Å; T405-H409 PolarHBondContact O-N 2.8Å; H409-A412 PolarHBondContact O-N 3.05Å; H409-Q413 WeakPolarHBondContact O-CB 3.49Å; H409-Q413 WeakPolarHBondContact O-CG 3.44Å; H409-Q413 PolarHBondContact O-N 2.86Å |
| 410 | R | 83.1 | Confident | 83 | Confident | 130 Ų | 130 | 80.2 Ų | 80.2 | 49% | 0.491 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 173.4 | -85.8 | -171 | 172.9 | 179.4 | 0.4 | 112.6 | F406 R407 Q413 R414 | F406-R410 HydrophobicContact CE1-CG 4.33Å; F406-R410 VanDerWaalsContact CE1-CZ 3.45Å; F406-R410 WeakPolarHBondContact O-CB 3.35Å; F406-R410 PolarHBondContact O-N 2.89Å; R407-R410 PolarHBondContact O-N 2.95Å; R410-Q413 PolarHBondContact O-N 2.84Å; R410-R414 WeakPolarHBondContact O-CG 3.45Å; R410-R414 PolarHBondContact O-N 2.8Å |
| 411 | A | 79.7 | Confident | 82.7 | Confident | 57 Ų | 57 | 81.6 Ų | 81.6 | 47% | 0.471 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R407 S408 R414 C415 | R407-A411 WeakPolarHBondContact O-CB 3.17Å; R407-A411 PolarHBondContact O-N 3.37Å; S408-A411 PolarHBondContact O-N 3.49Å; A411-R414 PolarHBondContact O-N 2.72Å; A411-C415 PolarHBondContact O-N 3Å |
| 412 | A | 76.8 | Confident | 82.4 | Confident | 31 Ų | 31 | 78.7 Ų | 78.7 | 26% | 0.256 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | S408 H409 C415 H416 | S408-A412 WeakPolarHBondContact O-CB 3.41Å; S408-A412 PolarHBondContact O-N 3.24Å; H409-A412 PolarHBondContact O-N 3.05Å; A412-C415 PolarHBondContact O-N 2.76Å; A412-H416 WeakPolarHBondContact O-CB 3.24Å; A412-H416 PolarHBondContact O-N 2.99Å |
| 413 | Q | 79.6 | Confident | 82.2 | Confident | 103 Ų | 103 | 73.2 Ų | 73.2 | 48% | 0.481 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 174.3 | -80.3 | 178.9 | -41.6 | 0 | 0 | 112.7 | H409 R410 H416 E417 | H409-Q413 WeakPolarHBondContact O-CB 3.49Å; H409-Q413 WeakPolarHBondContact O-CG 3.44Å; H409-Q413 PolarHBondContact O-N 2.86Å; R410-Q413 PolarHBondContact O-N 2.84Å; Q413-H416 PolarHBondContact O-N 2.82Å; Q413-E417 WeakPolarHBondContact O-CG 3.33Å; Q413-E417 PolarHBondContact O-N 2.93Å |
| 414 | R | 78.6 | Confident | 81.9 | Confident | 171 Ų | 171 | 78.2 Ų | 78.2 | 65% | 0.645 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.7 | -43 | 175.7 | -71.5 | 177.3 | -160.6 | -177.3 | 2.7 | 112 | R410 A411 H416 E417 D418 | R410-R414 WeakPolarHBondContact O-CG 3.45Å; R410-R414 PolarHBondContact O-N 2.8Å; A411-R414 PolarHBondContact O-N 2.72Å; R414-H416 VanDerWaalsContact C-N 3.31Å; R414-H416 PolarHBondContact O-N 3.07Å; R414-E417 PolarHBondContact O-N 3.24Å; R414-D418 PolarHBondContact O-N 2.84Å |
| 415 | C | 77.3 | Confident | 81.7 | Confident | 25 Ų | 25 | 74 Ų | 74 | 17% | 0.169 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 175.8 | -171.6 | 0 | 0 | 0 | 0 | 111.1 | A411 A412 D418 W419 | A411-C415 PolarHBondContact O-N 3Å; A412-C415 PolarHBondContact O-N 2.76Å; C415-D418 WeakPolarHBondContact O-CB 3.32Å; C415-D418 PolarHBondContact O-N 3.01Å; C415-W419 PolarHBondContact O-N 3.05Å; C415-W419 VanDerWaalsContact O-N 3.11Å |
| 416 | H | 79.7 | Confident | 81.7 | Confident | 55 Ų | 55 | 71.1 Ų | 71.1 | 26% | 0.255 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 177.5 | -174.5 | 68.3 | 0 | 0 | 0 | 112.3 | C325 A412 Q413 R414 D418 W419 K420 | C325-H416 PolarHBondContact O-ND1 2.78Å; C325-H416 VanDerWaalsContact O-ND1 3.14Å; A412-H416 WeakPolarHBondContact O-CB 3.24Å; A412-H416 PolarHBondContact O-N 2.99Å; Q413-H416 PolarHBondContact O-N 2.82Å; R414-H416 VanDerWaalsContact C-N 3.31Å; R414-H416 PolarHBondContact O-N 3.07Å; H416-D418 PolarHBondContact O-N 3.25Å; H416-W419 PolarHBondContact O-N 2.91Å; H416-K420 VanDerWaalsContact CD2-CE 3.47Å; H416-K420 WeakPolarHBondContact CD2-CE 3.28Å; H416-K420 WeakPolarHBondContact NE2-CE 3.23Å; H416-K420 PolarHBondContact NE2-NZ 2.99Å; H416-K420 WeakPolarHBondContact O-CG 3.48Å; H416-K420 PolarHBondContact O-N 3.47Å |
| 417 | E | 80.1 | Confident | 81.8 | Confident | 91 Ų | 91 | 66.2 Ų | 66.2 | 43% | 0.425 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.3 | -35.1 | 174.3 | -72.5 | -57.5 | 132.8 | 0 | 0 | 112.9 | Q413 R414 K420 R421 | Q413-E417 WeakPolarHBondContact O-CG 3.33Å; Q413-E417 PolarHBondContact O-N 2.93Å; R414-E417 PolarHBondContact O-N 3.24Å; E417-K420 PolarHBondContact O-N 3.04Å; E417-K420 IonicContact OE1-NZ 2.95Å; E417-K420 PolarHBondContact OE1-NZ 2.85Å; E417-R421 WeakPolarHBondContact O-CB 3.28Å; E417-R421 PolarHBondContact O-N 3.15Å |
| 418 | D | 80.6 | Confident | 81.9 | Confident | 39 Ų | 39 | 64.7 Ų | 64.7 | 21% | 0.209 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 172 | -74.9 | -24.1 | 0 | 0 | 0 | 111.5 | V332 R337 R414 C415 H416 R421 L422 | V332-D418 HydrophobicContact CG2-CB 4.09Å; R337-D418 IonicContact CZ-OD2 3.35Å; R337-D418 IonicContact NH1-OD2 3.18Å; R337-D418 PolarHBondContact NH1-OD2 2.94Å; R337-D418 IonicContact NH2-OD1 3.25Å; R337-D418 PolarHBondContact NH2-OD1 3.13Å; R337-D418 IonicContact NH2-OD2 2.69Å; R337-D418 PolarHBondContact NH2-OD2 2.88Å; R414-D418 PolarHBondContact O-N 2.84Å; C415-D418 WeakPolarHBondContact O-CB 3.32Å; C415-D418 PolarHBondContact O-N 3.01Å; H416-D418 PolarHBondContact O-N 3.25Å; D418-R421 PolarHBondContact O-N 3.35Å; D418-L422 WeakPolarHBondContact O-CB 3.11Å; D418-L422 PolarHBondContact O-N 3.48Å |
| 419 | W | 82 | Confident | 82.1 | Confident | 32 Ų | 32 | 64.7 Ų | 64.7 | 12% | 0.121 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 176 | -80 | 110.1 | 0 | 0 | 0 | 112.4 | L322 C325 R330 V332 C415 H416 R421 L422 A423 | L322-W419 HydrophobicContact CB-CE3 4.38Å; L322-W419 HydrophobicContact CD2-CE3 4.25Å; L322-W419 HydrophobicContact CD2-CH2 4.41Å; L322-W419 HydrophobicContact CD2-CZ3 3.71Å; C325-W419 HydrophobicContact CB-CG 4.32Å; R330-W419 PolarHBondContact O-NE1 2.82Å; V332-W419 HydrophobicContact CG2-CD2 3.79Å; V332-W419 HydrophobicContact CG2-CE3 4.3Å; V332-W419 HydrophobicContact CG2-CG 4.06Å; V332-W419 HydrophobicContact CG2-CZ2 4.04Å; C415-W419 PolarHBondContact O-N 3.05Å; C415-W419 VanDerWaalsContact O-N 3.11Å; H416-W419 PolarHBondContact O-N 2.91Å; W419-R421 VanDerWaalsContact C-N 3.31Å; W419-R421 PolarHBondContact O-N 3Å; W419-L422 HydrophobicContact CE3-CD2 3.69Å; W419-L422 HydrophobicContact CZ3-CD2 3.56Å; W419-L422 WeakPolarHBondContact O-CB 3.48Å; W419-L422 PolarHBondContact O-N 3.28Å; W419-A423 WeakPolarHBondContact O-CB 3.06Å; W419-A423 PolarHBondContact O-N 3.24Å |
| 420 | K | 82.3 | Confident | 82.5 | Confident | 45 Ų | 45 | 61.2 Ų | 61.2 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 172.3 | -69.9 | -174.1 | -175.6 | 158 | 0 | 112.4 | H416 E417 R424 | H416-K420 VanDerWaalsContact CD2-CE 3.47Å; H416-K420 WeakPolarHBondContact CD2-CE 3.28Å; H416-K420 WeakPolarHBondContact NE2-CE 3.23Å; H416-K420 PolarHBondContact NE2-NZ 2.99Å; H416-K420 WeakPolarHBondContact O-CG 3.48Å; H416-K420 PolarHBondContact O-N 3.47Å; E417-K420 PolarHBondContact O-N 3.04Å; E417-K420 IonicContact OE1-NZ 2.95Å; E417-K420 PolarHBondContact OE1-NZ 2.85Å; K420-R424 WeakPolarHBondContact O-CG 3.33Å; K420-R424 PolarHBondContact O-N 2.87Å; K420-R424 PolarHBondContact O-NE 3.42Å |
| 421 | R | 79.8 | Confident | 82.8 | Confident | 74 Ų | 74 | 56.7 Ų | 56.7 | 28% | 0.279 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 176 | -172.7 | 171.9 | -179.2 | 161.2 | 7.1 | 110.4 | L341 E352 E417 D418 W419 R424 V425 | L341-R421 HydrophobicContact CD2-CG 4.18Å; E352-R421 VanDerWaalsContact CD-CZ 3.4Å; E352-R421 VanDerWaalsContact CD-NH1 3.32Å; E352-R421 IonicContact OE1-CZ 3.16Å; E352-R421 IonicContact OE1-NE 3.89Å; E352-R421 IonicContact OE1-NH1 2.93Å; E352-R421 PolarHBondContact OE1-NH1 2.96Å; E352-R421 IonicContact OE1-NH2 3.33Å; E352-R421 PolarHBondContact OE1-NH2 3.19Å; E352-R421 IonicContact OE2-CZ 3.34Å; E352-R421 IonicContact OE2-NH1 3.09Å; E352-R421 PolarHBondContact OE2-NH1 3.38Å; E352-R421 VanDerWaalsContact OE2-NH1 3.09Å; E352-R421 IonicContact OE2-NH2 2.84Å; E352-R421 PolarHBondContact OE2-NH2 2.93Å; E417-R421 WeakPolarHBondContact O-CB 3.28Å; E417-R421 PolarHBondContact O-N 3.15Å; D418-R421 PolarHBondContact O-N 3.35Å; W419-R421 VanDerWaalsContact C-N 3.31Å; W419-R421 PolarHBondContact O-N 3Å; R421-R424 PolarHBondContact O-N 2.87Å; R421-V425 WeakPolarHBondContact O-CG2 3.22Å; R421-V425 PolarHBondContact O-N 2.93Å |
| 422 | L | 83 | Confident | 83.2 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.2 | -49.2 | 175 | -170.5 | 69.6 | 0 | 0 | 0 | 111.7 | V332 L340 L341 D418 W419 R424 V425 M426 | V332-L422 HydrophobicContact CG1-CD2 4.27Å; L340-L422 HydrophobicContact CB-CD1 3.5Å; L340-L422 VanDerWaalsContact CB-CD1 3.5Å; L340-L422 HydrophobicContact CD1-CD1 3.59Å; L340-L422 HydrophobicContact CD1-CG 4.49Å; L340-L422 HydrophobicContact CG-CD1 4.09Å; L341-L422 HydrophobicContact CD1-CD1 3.85Å; D418-L422 WeakPolarHBondContact O-CB 3.11Å; D418-L422 PolarHBondContact O-N 3.48Å; W419-L422 HydrophobicContact CE3-CD2 3.69Å; W419-L422 HydrophobicContact CZ3-CD2 3.56Å; W419-L422 WeakPolarHBondContact O-CB 3.48Å; W419-L422 PolarHBondContact O-N 3.28Å; L422-R424 VanDerWaalsContact C-N 3.35Å; L422-R424 PolarHBondContact O-N 2.83Å; L422-V425 PolarHBondContact O-N 2.67Å; L422-M426 HydrophobicContact CG-SD 4.34Å; L422-M426 WeakPolarHBondContact O-CG 3.24Å; L422-M426 PolarHBondContact O-N 2.94Å |
| 423 | A | 84.1 | Confident | 83.8 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.6 | -45 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | I319 H323 W419 V425 M426 D427 | I319-A423 HydrophobicContact CG2-CB 3.86Å; H323-A423 HydrophobicContact CB-CB 4.17Å; W419-A423 WeakPolarHBondContact O-CB 3.06Å; W419-A423 PolarHBondContact O-N 3.24Å; A423-V425 PolarHBondContact O-N 2.95Å; A423-M426 PolarHBondContact O-N 3.46Å; A423-D427 WeakPolarHBondContact O-CB 3.35Å; A423-D427 PolarHBondContact O-N 3.5Å |
| 424 | R | 83.4 | Confident | 84.4 | Confident | 144 Ų | 144 | 52.9 Ų | 52.9 | 54% | 0.543 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.2 | -38 | 176.7 | -75.4 | -175.6 | -72.2 | 163.3 | -5.2 | 113.5 | K420 R421 L422 R428 | K420-R424 WeakPolarHBondContact O-CG 3.33Å; K420-R424 PolarHBondContact O-N 2.87Å; K420-R424 PolarHBondContact O-NE 3.42Å; R421-R424 PolarHBondContact O-N 2.87Å; L422-R424 VanDerWaalsContact C-N 3.35Å; L422-R424 PolarHBondContact O-N 2.83Å; R424-R428 PolarHBondContact O-N 2.84Å |
| 425 | V | 84.1 | Confident | 85.1 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.8 | -43.5 | 176.8 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | L344 R421 L422 A423 D427 R428 F429 | L344-V425 HydrophobicContact CB-CG1 4.11Å; R421-V425 WeakPolarHBondContact O-CG2 3.22Å; R421-V425 PolarHBondContact O-N 2.93Å; L422-V425 PolarHBondContact O-N 2.67Å; A423-V425 PolarHBondContact O-N 2.95Å; V425-D427 VanDerWaalsContact C-N 3.34Å; V425-D427 PolarHBondContact O-N 3Å; V425-R428 PolarHBondContact O-N 2.95Å; V425-F429 WeakPolarHBondContact O-CB 3.29Å; V425-F429 PolarHBondContact O-N 3.43Å |
| 426 | M | 84.9 | Confident | 85.7 | Confident | 23 Ų | 23 | 50.7 Ų | 50.7 | 11% | 0.113 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.6 | -45.1 | 174.8 | -71.8 | 178.4 | 66.8 | 0 | 0 | 111.5 | I319 L322 L340 L422 A423 R428 F429 F430 | I319-M426 HydrophobicContact CD1-CB 4.12Å; I319-M426 HydrophobicContact CG1-CB 4.26Å; I319-M426 HydrophobicContact CG1-CE 4.03Å; L322-M426 HydrophobicContact CD1-CE 4.15Å; L322-M426 HydrophobicContact CD1-SD 3.95Å; L340-M426 HydrophobicContact CD2-CG 4.24Å; L422-M426 HydrophobicContact CG-SD 4.34Å; L422-M426 WeakPolarHBondContact O-CG 3.24Å; L422-M426 PolarHBondContact O-N 2.94Å; A423-M426 PolarHBondContact O-N 3.46Å; M426-R428 PolarHBondContact O-N 2.99Å; M426-F429 PolarHBondContact O-N 2.99Å; M426-F430 HydrophobicContact CB-CD2 4.25Å; M426-F430 HydrophobicContact CB-CE2 4.25Å; M426-F430 HydrophobicContact CE-CE2 3.88Å; M426-F430 WeakPolarHBondContact O-CD2 3.36Å; M426-F430 PolarHBondContact O-N 3.16Å |
| 427 | D | 88.3 | Confident | 86.3 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 8% | 0.08 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -55.9 | -49.9 | 176.9 | -88.5 | -21.8 | 0 | 0 | 0 | 112.4 | F258 K267 I319 A423 V425 F429 F430 L431 | F258-D427 WeakPolarHBondContact CD1-OD1 3.41Å; F258-D427 WeakPolarHBondContact O-CB 3.43Å; K267-D427 IonicContact NZ-OD1 3.24Å; K267-D427 PolarHBondContact NZ-OD1 3.46Å; K267-D427 IonicContact NZ-OD2 2.91Å; K267-D427 PolarHBondContact NZ-OD2 3.23Å; I319-D427 VanDerWaalsContact CD1-OD1 3.28Å; I319-D427 WeakPolarHBondContact CD1-OD1 3.23Å; A423-D427 WeakPolarHBondContact O-CB 3.35Å; A423-D427 PolarHBondContact O-N 3.5Å; V425-D427 VanDerWaalsContact C-N 3.34Å; V425-D427 PolarHBondContact O-N 3Å; D427-F429 VanDerWaalsContact C-N 3.34Å; D427-F429 PolarHBondContact O-N 3.06Å; D427-F430 PolarHBondContact O-N 3.42Å; D427-L431 WeakPolarHBondContact O-CB 3.49Å; D427-L431 PolarHBondContact O-N 3.12Å |
| 428 | R | 86.9 | Confident | 86.8 | Confident | 129 Ų | 129 | 48.3 Ų | 48.3 | 49% | 0.487 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67 | -34.8 | 179.2 | -70.1 | -168.9 | 170.1 | 178.9 | -0.5 | 113.3 | L348 R424 V425 M426 G432 | L348-R428 HydrophobicContact CD2-CB 3.95Å; R424-R428 PolarHBondContact O-N 2.84Å; V425-R428 PolarHBondContact O-N 2.95Å; M426-R428 PolarHBondContact O-N 2.99Å; R428-G432 PolarHBondContact O-N 3.1Å |
| 429 | F | 87.7 | Confident | 87.2 | Confident | 72 Ų | 72 | 49.9 Ų | 49.9 | 32% | 0.316 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.5 | -51.8 | 176.4 | 174.6 | -109.4 | 0 | 0 | 0 | 111.5 | L344 L348 V425 M426 D427 L431 G432 I433 | L344-F429 HydrophobicContact CD2-CB 4.21Å; L344-F429 HydrophobicContact CD2-CD2 3.2Å; L344-F429 HydrophobicContact CD2-CE2 3.59Å; L344-F429 HydrophobicContact CD2-CG 3.8Å; L344-F429 HydrophobicContact CD2-CZ 4.46Å; L348-F429 HydrophobicContact CD1-CB 3.9Å; L348-F429 HydrophobicContact CD1-CD2 4.25Å; V425-F429 WeakPolarHBondContact O-CB 3.29Å; V425-F429 PolarHBondContact O-N 3.43Å; M426-F429 PolarHBondContact O-N 2.99Å; D427-F429 VanDerWaalsContact C-N 3.34Å; D427-F429 PolarHBondContact O-N 3.06Å; F429-L431 VanDerWaalsContact C-N 3.33Å; F429-L431 PolarHBondContact O-N 2.9Å; F429-G432 PolarHBondContact O-N 2.86Å; F429-I433 HydrophobicContact CD1-CD1 3.98Å; F429-I433 HydrophobicContact CD2-CD1 4.36Å; F429-I433 HydrophobicContact CE1-CD1 3.41Å; F429-I433 VanDerWaalsContact CE1-CD1 3.41Å; F429-I433 HydrophobicContact CE2-CD1 3.85Å; F429-I433 HydrophobicContact CG-CD1 4.45Å; F429-I433 HydrophobicContact CZ-CD1 3.37Å; F429-I433 HydrophobicContact CZ-CG1 4.49Å; F429-I433 PolarHBondContact O-N 2.92Å |
| 430 | F | 89.7 | Confident | 87.7 | Confident | 38 Ų | 38 | 52 Ų | 52 | 17% | 0.167 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.6 | -33.8 | 178.9 | -72.5 | -61.4 | 0 | 0 | 0 | 112.1 | F258 L315 I319 M426 D427 G432 I433 F434 | F258-F430 HydrophobicContact CD1-CB 4.16Å; F258-F430 HydrophobicContact CE1-CB 3.95Å; F258-F430 HydrophobicContact CE2-CB 4.49Å; F258-F430 HydrophobicContact CZ-CB 4.14Å; L315-F430 HydrophobicContact CD1-CD1 4.07Å; L315-F430 HydrophobicContact CD1-CE1 4.02Å; L315-F430 HydrophobicContact CD1-CZ 4.45Å; L315-F430 HydrophobicContact CD2-CE1 4.38Å; L315-F430 HydrophobicContact CD2-CE2 4.26Å; L315-F430 HydrophobicContact CD2-CZ 4.01Å; I319-F430 HydrophobicContact CD1-CD2 4.06Å; M426-F430 HydrophobicContact CB-CD2 4.25Å; M426-F430 HydrophobicContact CB-CE2 4.25Å; M426-F430 HydrophobicContact CE-CE2 3.88Å; M426-F430 WeakPolarHBondContact O-CD2 3.36Å; M426-F430 PolarHBondContact O-N 3.16Å; D427-F430 PolarHBondContact O-N 3.42Å; F430-G432 VanDerWaalsContact C-N 3.34Å; F430-G432 PolarHBondContact O-N 3.38Å; F430-I433 PolarHBondContact O-N 2.96Å; F430-F434 HydrophobicContact CB-CD2 4.02Å; F430-F434 HydrophobicContact CB-CE2 4.04Å; F430-F434 HydrophobicContact CD1-CE2 4Å; F430-F434 HydrophobicContact CG-CE2 4.35Å; F430-F434 WeakPolarHBondContact O-CB 3.42Å; F430-F434 WeakPolarHBondContact O-CD2 3.41Å; F430-F434 PolarHBondContact O-N 3.14Å |
| 431 | L | 90.5 | Very high | 88 | Confident | 36 Ų | 36 | 53 Ų | 53 | 19% | 0.188 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -52.3 | -51.8 | 170.5 | 176.1 | 66.9 | 0 | 0 | 0 | 111.1 | P255 F258 H259 D427 F429 I433 F435 | P255-L431 HydrophobicContact CB-CD1 4.08Å; P255-L431 WeakPolarHBondContact O-CD1 3.35Å; F258-L431 HydrophobicContact CB-CB 3.83Å; F258-L431 HydrophobicContact CB-CD1 4.22Å; H259-L431 HydrophobicContact CB-CD2 4.4Å; D427-L431 WeakPolarHBondContact O-CB 3.49Å; D427-L431 PolarHBondContact O-N 3.12Å; F429-L431 VanDerWaalsContact C-N 3.33Å; F429-L431 PolarHBondContact O-N 2.9Å; L431-I433 PolarHBondContact O-N 3.04Å; L431-F435 WeakPolarHBondContact O-CB 3.19Å; L431-F435 PolarHBondContact O-N 3.28Å |
| 432 | G | 87.6 | Confident | 88.4 | Confident | 42 Ų | 42 | 49.8 Ų | 49.8 | 43% | 0.433 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | R428 F429 F430 S436 | R428-G432 PolarHBondContact O-N 3.1Å; F429-G432 PolarHBondContact O-N 2.86Å; F430-G432 VanDerWaalsContact C-N 3.34Å; F430-G432 PolarHBondContact O-N 3.38Å; G432-S436 WeakPolarHBondContact O-CB 3.48Å; G432-S436 PolarHBondContact O-N 3.34Å; G432-S436 PolarHBondContact O-OG 2.76Å; G432-S436 VanDerWaalsContact O-OG 3.11Å |
| 433 | I | 90.6 | Very high | 88.6 | Confident | 62 Ų | 62 | 54 Ų | 54 | 32% | 0.318 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.5 | -57.4 | 178.2 | -66.6 | 173.5 | 0 | 0 | 0 | 110.5 | F429 F430 L431 F435 S436 M437 | F429-I433 HydrophobicContact CD1-CD1 3.98Å; F429-I433 HydrophobicContact CD2-CD1 4.36Å; F429-I433 HydrophobicContact CE1-CD1 3.41Å; F429-I433 VanDerWaalsContact CE1-CD1 3.41Å; F429-I433 HydrophobicContact CE2-CD1 3.85Å; F429-I433 HydrophobicContact CG-CD1 4.45Å; F429-I433 HydrophobicContact CZ-CD1 3.37Å; F429-I433 HydrophobicContact CZ-CG1 4.49Å; F429-I433 PolarHBondContact O-N 2.92Å; F430-I433 PolarHBondContact O-N 2.96Å; L431-I433 PolarHBondContact O-N 3.04Å; I433-F435 VanDerWaalsContact C-N 3.33Å; I433-F435 PolarHBondContact O-N 3.12Å; I433-S436 PolarHBondContact O-N 2.8Å; I433-S436 PolarHBondContact O-OG 2.79Å; I433-M437 HydrophobicContact CG2-SD 4.1Å; I433-M437 WeakPolarHBondContact O-CG 3.43Å; I433-M437 PolarHBondContact O-N 2.89Å |
| 434 | F | 92.1 | Very high | 88.8 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.9 | -34.2 | -176.2 | -72.7 | -65.7 | 0 | 0 | 0 | 112.6 | P255 F258 M308 F311 L315 F430 A438 | P255-F434 HydrophobicContact CB-CB 4.33Å; P255-F434 HydrophobicContact CG-CB 4.24Å; F258-F434 HydrophobicContact CD2-CD2 4.21Å; F258-F434 HydrophobicContact CE2-CB 4.36Å; F258-F434 AromaticContact CE2-CD2 3.31Å; F258-F434 HydrophobicContact CE2-CD2 3.31Å; F258-F434 AromaticContact CE2-CE2 3.85Å; F258-F434 HydrophobicContact CE2-CE2 3.85Å; F258-F434 HydrophobicContact CE2-CG 4.07Å; F258-F434 AromaticContact CZ-CD2 3.67Å; F258-F434 HydrophobicContact CZ-CD2 3.67Å; F258-F434 AromaticContact CZ-CE2 3.71Å; F258-F434 HydrophobicContact CZ-CE2 3.71Å; M308-F434 HydrophobicContact CG-CD1 3.75Å; M308-F434 HydrophobicContact CG-CE1 4.09Å; M308-F434 HydrophobicContact SD-CD1 3.74Å; M308-F434 HydrophobicContact SD-CE1 4.42Å; F311-F434 AromaticContact CD1-CE1 3.92Å; F311-F434 HydrophobicContact CD1-CE1 3.92Å; F311-F434 AromaticContact CD1-CZ 3.54Å; F311-F434 HydrophobicContact CD1-CZ 3.54Å; F311-F434 AromaticContact CE1-CZ 3.93Å; F311-F434 HydrophobicContact CE1-CZ 3.93Å; L315-F434 HydrophobicContact CD1-CE2 3.7Å; L315-F434 HydrophobicContact CD1-CZ 3.66Å; F430-F434 HydrophobicContact CB-CD2 4.02Å; F430-F434 HydrophobicContact CB-CE2 4.04Å; F430-F434 HydrophobicContact CD1-CE2 4Å; F430-F434 HydrophobicContact CG-CE2 4.35Å; F430-F434 WeakPolarHBondContact O-CB 3.42Å; F430-F434 WeakPolarHBondContact O-CD2 3.41Å; F430-F434 PolarHBondContact O-N 3.14Å; F434-A438 VanDerWaalsContact O-CB 3.25Å; F434-A438 WeakPolarHBondContact O-CB 3.36Å; F434-A438 PolarHBondContact O-N 3.48Å |
| 435 | F | 91.8 | Very high | 88.8 | Confident | 90 Ų | 90 | 52.6 Ų | 52.6 | 40% | 0.395 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.2 | -46.6 | 174.3 | -173.4 | -95.2 | 0 | 0 | 0 | 111.7 | P255 L431 I433 M437 A438 L439 | P255-F435 HydrophobicContact CB-CB 3.99Å; P255-F435 HydrophobicContact CB-CD2 4.27Å; P255-F435 HydrophobicContact CG-CB 4.31Å; P255-F435 HydrophobicContact CG-CD2 4.47Å; L431-F435 WeakPolarHBondContact O-CB 3.19Å; L431-F435 PolarHBondContact O-N 3.28Å; I433-F435 VanDerWaalsContact C-N 3.33Å; I433-F435 PolarHBondContact O-N 3.12Å; F435-M437 PolarHBondContact O-N 2.89Å; F435-A438 PolarHBondContact O-N 3.22Å; F435-L439 HydrophobicContact CE1-CD1 3.99Å; F435-L439 HydrophobicContact CZ-CD1 4.23Å; F435-L439 VanDerWaalsContact O-CB 3.24Å; F435-L439 WeakPolarHBondContact O-CB 3.47Å; F435-L439 PolarHBondContact O-N 3.39Å |
| 436 | S | 90.4 | Very high | 88.7 | Confident | 60 Ų | 60 | 55.5 Ų | 55.5 | 42% | 0.42 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 176.1 | 69 | 0 | 0 | 0 | 0 | 111.9 | G432 I433 L439 V440 | G432-S436 WeakPolarHBondContact O-CB 3.48Å; G432-S436 PolarHBondContact O-N 3.34Å; G432-S436 PolarHBondContact O-OG 2.76Å; G432-S436 VanDerWaalsContact O-OG 3.11Å; I433-S436 PolarHBondContact O-N 2.8Å; I433-S436 PolarHBondContact O-OG 2.79Å; S436-L439 PolarHBondContact O-N 3.07Å; S436-V440 WeakPolarHBondContact O-CB 3.3Å; S436-V440 VanDerWaalsContact O-CG2 3.24Å; S436-V440 WeakPolarHBondContact O-CG2 3.34Å; S436-V440 PolarHBondContact O-N 3.11Å |
| 437 | M | 91.6 | Very high | 88.6 | Confident | 94 Ų | 94 | 59.1 Ų | 59.1 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 175.5 | -73.7 | -174 | 71 | 0 | 0 | 111.9 | I433 F435 L439 V440 M441 | I433-M437 HydrophobicContact CG2-SD 4.1Å; I433-M437 WeakPolarHBondContact O-CG 3.43Å; I433-M437 PolarHBondContact O-N 2.89Å; F435-M437 PolarHBondContact O-N 2.89Å; M437-L439 VanDerWaalsContact C-N 3.32Å; M437-L439 PolarHBondContact O-N 3.14Å; M437-V440 PolarHBondContact O-N 3.03Å; M437-M441 WeakPolarHBondContact O-CB 3.18Å; M437-M441 VanDerWaalsContact O-CG 3.23Å; M437-M441 WeakPolarHBondContact O-CG 3.33Å; M437-M441 PolarHBondContact O-N 3.46Å |
| 438 | A | 90.7 | Very high | 87.9 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 3% | 0.025 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P255 M308 F434 F435 S442 | P255-A438 HydrophobicContact CG-CB 4.16Å; M308-A438 HydrophobicContact CE-CB 4.14Å; F434-A438 VanDerWaalsContact O-CB 3.25Å; F434-A438 WeakPolarHBondContact O-CB 3.36Å; F434-A438 PolarHBondContact O-N 3.48Å; F435-A438 PolarHBondContact O-N 3.22Å; A438-S442 VanDerWaalsContact O-CB 3.28Å; A438-S442 WeakPolarHBondContact O-CB 3.25Å; A438-S442 PolarHBondContact O-N 3.11Å; A438-S442 PolarHBondContact O-OG 3.1Å |
| 439 | L | 90.3 | Very high | 87 | Confident | 71 Ų | 71 | 58.6 Ų | 58.6 | 37% | 0.372 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.4 | -44.8 | 178.9 | -172.7 | 135.7 | 0 | 0 | 0 | 112.1 | F435 S436 M437 S442 L443 | F435-L439 HydrophobicContact CE1-CD1 3.99Å; F435-L439 HydrophobicContact CZ-CD1 4.23Å; F435-L439 VanDerWaalsContact O-CB 3.24Å; F435-L439 WeakPolarHBondContact O-CB 3.47Å; F435-L439 PolarHBondContact O-N 3.39Å; S436-L439 PolarHBondContact O-N 3.07Å; M437-L439 VanDerWaalsContact C-N 3.32Å; M437-L439 PolarHBondContact O-N 3.14Å; L439-S442 PolarHBondContact O-N 2.94Å; L439-L443 HydrophobicContact CD2-CD1 3.53Å; L439-L443 HydrophobicContact CD2-CG 4.49Å; L439-L443 HydrophobicContact CG-CD1 4.21Å; L439-L443 WeakPolarHBondContact O-CB 3.44Å; L439-L443 WeakPolarHBondContact O-CG 3.45Å; L439-L443 PolarHBondContact O-N 3.48Å |
| 440 | V | 91 | Very high | 85.9 | Confident | 77 Ų | 77 | 64.9 Ų | 64.9 | 47% | 0.467 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 176.2 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | S436 M437 S442 L443 L444 | S436-V440 WeakPolarHBondContact O-CB 3.3Å; S436-V440 VanDerWaalsContact O-CG2 3.24Å; S436-V440 WeakPolarHBondContact O-CG2 3.34Å; S436-V440 PolarHBondContact O-N 3.11Å; M437-V440 PolarHBondContact O-N 3.03Å; V440-S442 VanDerWaalsContact C-N 3.35Å; V440-S442 PolarHBondContact O-N 3.41Å; V440-L443 PolarHBondContact O-N 3.48Å; V440-L444 HydrophobicContact CG1-CD1 3.95Å; V440-L444 HydrophobicContact CG1-CG 4.36Å; V440-L444 VanDerWaalsContact O-CG 3.29Å; V440-L444 WeakPolarHBondContact O-CG 3.4Å; V440-L444 PolarHBondContact O-N 2.95Å |
| 441 | M | 89.3 | Confident | 85.7 | Confident | 66 Ų | 66 | 66.2 Ų | 66.2 | 33% | 0.325 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 177.7 | -72 | -63.5 | -62.9 | 0 | 0 | 111.9 | Y301 A304 M437 L444 V445 | Y301-M441 HydrophobicContact CD2-CE 4.4Å; Y301-M441 HydrophobicContact CE2-CB 4.28Å; A304-M441 HydrophobicContact CB-CE 3.73Å; M437-M441 WeakPolarHBondContact O-CB 3.18Å; M437-M441 VanDerWaalsContact O-CG 3.23Å; M437-M441 WeakPolarHBondContact O-CG 3.33Å; M437-M441 PolarHBondContact O-N 3.46Å; M441-L444 PolarHBondContact O-N 3.39Å; M441-V445 WeakPolarHBondContact O-CG2 3.45Å; M441-V445 PolarHBondContact O-N 3.18Å |
| 442 | S | 88.4 | Confident | 85.4 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 177.1 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | S251 A438 L439 V440 V445 L446 | S251-S442 PolarHBondContact OG-OG 3.37Å; A438-S442 VanDerWaalsContact O-CB 3.28Å; A438-S442 WeakPolarHBondContact O-CB 3.25Å; A438-S442 PolarHBondContact O-N 3.11Å; A438-S442 PolarHBondContact O-OG 3.1Å; L439-S442 PolarHBondContact O-N 2.94Å; V440-S442 VanDerWaalsContact C-N 3.35Å; V440-S442 PolarHBondContact O-N 3.41Å; S442-V445 PolarHBondContact O-N 3.33Å; S442-L446 WeakPolarHBondContact O-CB 3.48Å; S442-L446 WeakPolarHBondContact O-CD1 3.45Å; S442-L446 PolarHBondContact O-N 3.11Å |
| 443 | L | 87.9 | Confident | 85.3 | Confident | 93 Ų | 93 | 69.2 Ų | 69.2 | 49% | 0.487 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 177.8 | -79 | 169.6 | 0 | 0 | 0 | 112.2 | L439 V440 V445 L446 V447 | L439-L443 HydrophobicContact CD2-CD1 3.53Å; L439-L443 HydrophobicContact CD2-CG 4.49Å; L439-L443 HydrophobicContact CG-CD1 4.21Å; L439-L443 WeakPolarHBondContact O-CB 3.44Å; L439-L443 WeakPolarHBondContact O-CG 3.45Å; L439-L443 PolarHBondContact O-N 3.48Å; V440-L443 PolarHBondContact O-N 3.48Å; L443-V445 VanDerWaalsContact C-N 3.29Å; L443-V445 PolarHBondContact O-N 3.46Å; L443-L446 PolarHBondContact O-N 2.85Å; L443-V447 WeakPolarHBondContact O-CB 3.44Å; L443-V447 VanDerWaalsContact O-CG2 3.23Å; L443-V447 WeakPolarHBondContact O-CG2 3.25Å; L443-V447 PolarHBondContact O-N 2.76Å |
| 444 | L | 86.8 | Confident | 85 | Confident | 100 Ų | 100 | 69.6 Ų | 69.6 | 52% | 0.524 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.8 | -42.8 | 178.4 | -74.5 | 171.2 | 0 | 0 | 0 | 111.6 | V440 M441 Q448 | V440-L444 HydrophobicContact CG1-CD1 3.95Å; V440-L444 HydrophobicContact CG1-CG 4.36Å; V440-L444 VanDerWaalsContact O-CG 3.29Å; V440-L444 WeakPolarHBondContact O-CG 3.4Å; V440-L444 PolarHBondContact O-N 2.95Å; M441-L444 PolarHBondContact O-N 3.39Å; L444-Q448 WeakPolarHBondContact O-CG 3.43Å; L444-Q448 PolarHBondContact O-N 2.93Å; L444-Q448 VanDerWaalsContact O-N 3.09Å |
| 445 | V | 84.2 | Confident | 84.5 | Confident | 17 Ų | 17 | 73.6 Ų | 73.6 | 10% | 0.103 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -71.8 | -40.4 | 178.7 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | L244 Y301 M441 S442 L443 V447 Q448 A449 | L244-V445 HydrophobicContact CD1-CG1 3.61Å; L244-V445 HydrophobicContact CD2-CG1 4.15Å; Y301-V445 HydrophobicContact CD2-CB 4.45Å; Y301-V445 HydrophobicContact CD2-CG2 3.5Å; Y301-V445 HydrophobicContact CE2-CG2 4.17Å; Y301-V445 HydrophobicContact CG-CG2 3.86Å; M441-V445 WeakPolarHBondContact O-CG2 3.45Å; M441-V445 PolarHBondContact O-N 3.18Å; S442-V445 PolarHBondContact O-N 3.33Å; L443-V445 VanDerWaalsContact C-N 3.29Å; L443-V445 PolarHBondContact O-N 3.46Å; V445-V447 VanDerWaalsContact C-N 3.34Å; V445-V447 PolarHBondContact O-N 3.48Å; V445-Q448 PolarHBondContact O-N 3.34Å; V445-A449 WeakPolarHBondContact O-CB 3.35Å; V445-A449 PolarHBondContact O-N 3Å |
| 446 | L | 81.1 | Confident | 84.1 | Confident | 65 Ų | 65 | 72.5 Ų | 72.5 | 34% | 0.34 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.1 | -37 | 175.2 | -92.8 | 145.8 | 0 | 0 | 0 | 112.6 | V248 S442 L443 A449 L450 | V248-L446 HydrophobicContact CG2-CD1 4.35Å; S442-L446 WeakPolarHBondContact O-CB 3.48Å; S442-L446 WeakPolarHBondContact O-CD1 3.45Å; S442-L446 PolarHBondContact O-N 3.11Å; L443-L446 PolarHBondContact O-N 2.85Å; L446-A449 WeakPolarHBondContact O-CB 3.48Å; L446-A449 PolarHBondContact O-N 3.48Å; L446-L450 PolarHBondContact O-N 2.78Å |
| 447 | V | 83.8 | Confident | 83.6 | Confident | 100 Ų | 100 | 73.4 Ų | 73.4 | 61% | 0.606 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -69.6 | -36.2 | 175.7 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | L443 V445 A449 | L443-V447 WeakPolarHBondContact O-CB 3.44Å; L443-V447 VanDerWaalsContact O-CG2 3.23Å; L443-V447 WeakPolarHBondContact O-CG2 3.25Å; L443-V447 PolarHBondContact O-N 2.76Å; V445-V447 VanDerWaalsContact C-N 3.34Å; V445-V447 PolarHBondContact O-N 3.48Å; V447-A449 PolarHBondContact O-N 2.84Å |
| 448 | Q | 74.2 | Confident | 83 | Confident | 113 Ų | 113 | 71.8 Ų | 71.8 | 53% | 0.528 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -72.2 | -15 | 172.5 | -72.6 | -176.3 | -39.8 | 0 | 0 | 113.1 | L297 L444 V445 | L297-Q448 HydrophobicContact CD2-CB 4.25Å; L444-Q448 WeakPolarHBondContact O-CG 3.43Å; L444-Q448 PolarHBondContact O-N 2.93Å; L444-Q448 VanDerWaalsContact O-N 3.09Å; V445-Q448 PolarHBondContact O-N 3.34Å |
| 449 | A | 67.6 | Low | 82.4 | Confident | 20 Ų | 20 | 77.6 Ų | 77.6 | 17% | 0.165 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -91.1 | -16.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F163 L244 V445 L446 V447 | F163-A449 HydrophobicContact CE1-CB 4.1Å; F163-A449 WeakPolarHBondContact CE1-O 3.47Å; F163-A449 VanDerWaalsContact CE2-CA 3.4Å; F163-A449 HydrophobicContact CE2-CB 3.48Å; F163-A449 VanDerWaalsContact CE2-CB 3.48Å; F163-A449 HydrophobicContact CZ-CB 3.2Å; F163-A449 WeakPolarHBondContact CZ-O 3.44Å; L244-A449 HydrophobicContact CD2-CB 4.42Å; V445-A449 WeakPolarHBondContact O-CB 3.35Å; V445-A449 PolarHBondContact O-N 3Å; L446-A449 WeakPolarHBondContact O-CB 3.48Å; L446-A449 PolarHBondContact O-N 3.48Å; V447-A449 PolarHBondContact O-N 2.84Å |
| 450 | L | 63.7 | Low | 81.6 | Confident | 203 Ų | 203 | 78.2 Ų | 78.2 | 100% | 1.063 | 42% | 0.423 | S | S | * | . | trans | -98.6 | 0 | 177.1 | -98.8 | 135.7 | 0 | 0 | 0 | 110 | L446 | L446-L450 PolarHBondContact O-N 2.78Š|
Retrieved 450 of 450 residues in 194.5 ms
(Link to these results)