| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40 | Very low | 32.8 | Very low | 250 Ų | 250 | 152.5 Ų | 152.5 | 100% | 1.232 | 86% | 0.858 | S | S | * | * | 0 | 116.4 | 0 | -92.2 | 168.1 | 167.4 | 0 | 0 | 107.9 | |||||
| 2 | A | 31.2 | Very low | 33.5 | Very low | 96 Ų | 96 | 151.9 Ų | 151.9 | 79% | 0.793 | 86% | 0.86 | S | S | * | * | trans | -81.2 | 169 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 3 | L | 30.2 | Very low | 33.3 | Very low | 168 Ų | 168 | 146 Ų | 146 | 88% | 0.88 | 85% | 0.853 | S | S | * | * | trans | 133.8 | 93.4 | 154.3 | -72.2 | 162.7 | 0 | 0 | 0 | 107.9 | ||||
| 4 | S | 27.3 | Very low | 33.7 | Very low | 114 Ų | 114 | 146.9 Ų | 146.9 | 80% | 0.797 | 85% | 0.848 | S | S | * | * | 64.3 | 137.6 | 58.6 | -167.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 5 | A | 32.3 | Very low | 33.9 | Very low | 97 Ų | 97 | 148.4 Ų | 148.4 | 80% | 0.802 | 85% | 0.851 | S | S | * | * | trans | 93.5 | 135.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 6 | S | 28.8 | Very low | 34.4 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 76% | 0.762 | 84% | 0.84 | S | S | * | * | cis | -171 | 140.7 | -1.2 | 173.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 7 | V | 39.3 | Very low | 34.3 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 73% | 0.727 | 84% | 0.839 | S | S | * | * | trans | -2 | 133.7 | 150 | -175.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 8 | R | 27.9 | Very low | 34.8 | Very low | 245 Ų | 245 | 142.1 Ų | 142.1 | 93% | 0.925 | 84% | 0.836 | S | S | * | * | trans | -155 | 109.1 | 131.1 | -102.5 | 167.9 | -149.6 | -142.3 | 6.3 | 110.6 | ||||
| 9 | R | 40 | Very low | 34.9 | Very low | 235 Ų | 235 | 146.5 Ų | 146.5 | 89% | 0.887 | 84% | 0.837 | S | S | * | * | trans | -70.2 | 143.8 | 154.3 | -74.8 | -177.6 | -178.3 | -162.9 | 0.3 | 108.2 | ||||
| 10 | L | 33 | Very low | 35.1 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 91% | 0.906 | 84% | 0.838 | S | S | * | * | trans | 174.2 | 115.6 | 150.7 | -91 | 151 | 0 | 0 | 0 | 102.8 | ||||
| 11 | G | 31.4 | Very low | 35.5 | Very low | 71 Ų | 71 | 148.2 Ų | 148.2 | 73% | 0.732 | 83% | 0.834 | S | S | * | * | 120.4 | 122.3 | 55.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 12 | V | 40.8 | Very low | 35.5 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -32.7 | 128.5 | 179.5 | 176.6 | 0 | 0 | 0 | 0 | 114.3 | M14 | V12-M14 HydrophobicContact CG1-CB 4.3Š| ||
| 13 | G | 31.1 | Very low | 36 | Very low | 75 Ų | 75 | 142 Ų | 142 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -131.7 | 72.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | L15 | G13-L15 PolarHBondContact O-N 3.27Å; G13-L15 VanDerWaalsContact O-N 3.14Å | ||
| 14 | M | 38.3 | Very low | 37.1 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 78% | 0.778 | 80% | 0.795 | S | S | * | * | trans | -69.5 | 101.3 | 167.5 | -177.1 | 172.3 | 179.7 | 0 | 0 | 107.6 | V12 | V12-M14 HydrophobicContact CG1-CB 4.3Š| ||
| 15 | L | 37.3 | Very low | 37.9 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | -110.5 | 87.2 | 158.3 | -82.2 | 165.5 | 0 | 0 | 0 | 107.1 | G13 C17 | G13-L15 PolarHBondContact O-N 3.27Å; G13-L15 VanDerWaalsContact O-N 3.14Å; L15-C17 PolarHBondContact O-N 3.02Å | ||
| 16 | S | 41 | Very low | 38.8 | Very low | 97 Ų | 97 | 149.1 Ų | 149.1 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | trans | -56.1 | 114.5 | 159.6 | 51.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 17 | C | 33.3 | Very low | 40.3 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -144.7 | 97 | 153.5 | -159.9 | 0 | 0 | 0 | 0 | 108.4 | L15 R19 | L15-C17 PolarHBondContact O-N 3.02Å; C17-R19 PolarHBondContact O-N 3.29Å | ||
| 18 | S | 43.2 | Very low | 41.4 | Very low | 112 Ų | 112 | 149.3 Ų | 149.3 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -53.9 | 117 | 168.5 | -68.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 19 | R | 36.9 | Very low | 42.8 | Very low | 227 Ų | 227 | 145.6 Ų | 145.6 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | trans | -127.1 | 95.9 | 146.2 | -104.7 | 178.3 | 170.5 | -169.7 | -2.4 | 105.9 | C17 L21 | C17-R19 PolarHBondContact O-N 3.29Å; R19-L21 PolarHBondContact O-N 3.06Å | ||
| 20 | E | 39.9 | Very low | 44.1 | Very low | 184 Ų | 184 | 141 Ų | 141 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -47.2 | 92.9 | 159.2 | -70.4 | -94.4 | 152.9 | 0 | 0 | 107.8 | ||||
| 21 | L | 41.6 | Very low | 45.9 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -74.1 | 122.3 | 160.7 | -70 | 169.5 | 0 | 0 | 0 | 104.5 | R19 C23 | R19-L21 PolarHBondContact O-N 3.06Å; L21-C23 VanDerWaalsContact C-N 3.34Å; L21-C23 PolarHBondContact O-N 3.08Å | ||
| 22 | P | 40.8 | Very low | 47.7 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | -57.6 | 110.9 | 167.9 | 23.2 | -28.9 | 0 | 0 | 0 | 105.3 | A24 | P22-A24 PolarHBondContact O-N 3.18Š| ||
| 23 | C | 41.8 | Very low | 49.2 | Very low | 99 Ų | 99 | 137 Ų | 137 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | trans | -62.3 | 90.1 | 167.5 | 27.6 | 0 | 0 | 0 | 0 | 104.4 | L21 W25 | L21-C23 VanDerWaalsContact C-N 3.34Å; L21-C23 PolarHBondContact O-N 3.08Å; C23-W25 PolarHBondContact O-N 3.07Å | ||
| 24 | A | 53.3 | Low | 51 | Low | 79 Ų | 79 | 138.2 Ų | 138.2 | 65% | 0.653 | 77% | 0.767 | S | S | * | * | trans | -64.6 | 89.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 104.3 | P22 R26 | P22-A24 PolarHBondContact O-N 3.18Å; A24-R26 PolarHBondContact O-N 3.45Å | ||
| 25 | W | 43.2 | Very low | 52.9 | Low | 232 Ų | 232 | 135.2 Ų | 135.2 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -60.6 | 80.1 | 163.5 | -78.1 | 65.1 | 0 | 0 | 0 | 106 | C23 A27 | C23-W25 PolarHBondContact O-N 3.07Å; W25-A27 PolarHBondContact O-N 2.83Å | ||
| 26 | R | 52.9 | Low | 55.3 | Low | 217 Ų | 217 | 134.1 Ų | 134.1 | 82% | 0.819 | 76% | 0.756 | S | S | * | * | trans | -64.8 | 95.7 | 163.2 | -69.7 | -174.2 | -175.4 | -147.1 | 1.7 | 103.9 | A24 L28 | A24-R26 PolarHBondContact O-N 3.45Å; R26-L28 PolarHBondContact O-N 3.46Å | ||
| 27 | A | 59.2 | Low | 57.6 | Low | 87 Ų | 87 | 135.4 Ų | 135.4 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | trans | -60.4 | 90.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107 | W25 H29 | W25-A27 PolarHBondContact O-N 2.83Å; A27-H29 VanDerWaalsContact C-N 3.32Å; A27-H29 PolarHBondContact O-N 3.37Å | ||
| 28 | L | 62.2 | Low | 60.4 | Low | 146 Ų | 146 | 138.9 Ų | 138.9 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | trans | -67 | 98.5 | 168 | -71.5 | 172.4 | 0 | 0 | 0 | 105.8 | R26 T30 | R26-L28 PolarHBondContact O-N 3.46Å; L28-T30 PolarHBondContact O-N 2.91Å | ||
| 29 | H | 57 | Low | 62.7 | Low | 166 Ų | 166 | 137 Ų | 137 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | -64.5 | 100.5 | 165 | -98.5 | -82.2 | 0 | 0 | 0 | 107.8 | A27 S31 | A27-H29 VanDerWaalsContact C-N 3.32Å; A27-H29 PolarHBondContact O-N 3.37Å; H29-S31 VanDerWaalsContact C-N 3.27Å | ||
| 30 | T | 67.2 | Low | 65.4 | Low | 139 Ų | 139 | 130 Ų | 130 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | trans | -82.9 | -2 | 176.6 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | L28 | L28-T30 PolarHBondContact O-N 2.91Š| ||
| 31 | S | 70.7 | Confident | 68 | Low | 77 Ų | 77 | 126.3 Ų | 126.3 | 54% | 0.538 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -72.4 | 130.6 | 173.3 | 57.8 | 0 | 0 | 0 | 0 | 110.5 | H29 V33 | H29-S31 VanDerWaalsContact C-N 3.27Å; S31-V33 PolarHBondContact O-N 2.71Å |
| 32 | A | 69.7 | Low | 70.5 | Confident | 90 Ų | 90 | 121.5 Ų | 121.5 | 74% | 0.744 | 69% | 0.687 | S | S | * | * | trans | -51.9 | 130.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | C34 | A32-C34 PolarHBondContact O-N 3.18Š| ||
| 33 | V | 71.9 | Confident | 72.9 | Confident | 138 Ų | 138 | 122 Ų | 122 | 84% | 0.836 | 67% | 0.674 | S | S | * | * | trans | -59.6 | 111 | 174.3 | 176.5 | 0 | 0 | 0 | 0 | 107.8 | S31 A35 | S31-V33 PolarHBondContact O-N 2.71Å; V33-A35 VanDerWaalsContact C-N 3.32Å; V33-A35 PolarHBondContact O-N 2.93Å | ||
| 34 | C | 68.6 | Low | 75.4 | Confident | 101 Ų | 101 | 123.3 Ų | 123.3 | 68% | 0.682 | 68% | 0.678 | S | S | * | * | trans | -64.8 | 94.8 | 171.8 | -65.6 | 0 | 0 | 0 | 0 | 109.2 | A32 K36 | A32-C34 PolarHBondContact O-N 3.18Å; C34-K36 HydrophobicContact CB-CG 4.46Å; C34-K36 PolarHBondContact O-N 3.33Å | ||
| 35 | A | 79.5 | Confident | 77.2 | Confident | 94 Ų | 94 | 122.3 Ų | 122.3 | 78% | 0.777 | 67% | 0.67 | S | S | * | * | trans | -71.5 | 74.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V33 | V33-A35 VanDerWaalsContact C-N 3.32Å; V33-A35 PolarHBondContact O-N 2.93Å | ||
| 36 | K | 86.6 | Confident | 79.6 | Confident | 148 Ų | 148 | 120.2 Ų | 120.2 | 64% | 0.643 | 67% | 0.667 | S | S | * | * | trans | -76.3 | 130.9 | 175.2 | -63.5 | -178.2 | -177.5 | 179.6 | 0 | 109.9 | C34 R38 | C34-K36 HydrophobicContact CB-CG 4.46Å; C34-K36 PolarHBondContact O-N 3.33Å; K36-R38 WeakPolarHBondContact O-CG 3.13Å; K36-R38 PolarHBondContact O-N 3.4Å | ||
| 37 | N | 90.3 | Very high | 81.5 | Confident | 123 Ų | 123 | 111.4 Ų | 111.4 | 66% | 0.658 | 64% | 0.644 | S | S | * | * | trans | -54.5 | 124.7 | 175.1 | -69.3 | -27.4 | 0 | 0 | 0 | 111.7 | R41 | N37-R41 WeakPolarHBondContact O-CD 3.37Š| ||
| 38 | R | 90.8 | Very high | 83.1 | Confident | 196 Ų | 196 | 113 Ų | 113 | 74% | 0.74 | 64% | 0.64 | S | S | * | * | trans | -114.2 | -16.6 | -176.7 | -47.8 | -155.9 | 169.5 | 178.7 | -1.8 | 114.7 | K36 A40 R41 | K36-R38 WeakPolarHBondContact O-CG 3.13Å; K36-R38 PolarHBondContact O-N 3.4Å; R38-A40 PolarHBondContact O-N 3.48Å; R38-R41 PolarHBondContact O-N 3Å | ||
| 39 | A | 93 | Very high | 84.7 | Confident | 72 Ų | 72 | 110.7 Ų | 110.7 | 60% | 0.595 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 125 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R41 P59 | A39-R41 WeakPolarHBondContact O-CG 3.4Å; A39-R41 PolarHBondContact O-N 2.85Å; A39-R41 VanDerWaalsContact O-N 3.11Å; A39-P59 WeakPolarHBondContact O-CD 3.25Å |
| 40 | A | 93.2 | Very high | 86.6 | Confident | 79 Ų | 79 | 106.2 Ų | 106.2 | 65% | 0.653 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 41.1 | 45 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R38 P59 | R38-A40 PolarHBondContact O-N 3.48Å; A40-P59 HydrophobicContact CB-CG 3.86Å |
| 41 | R | 93.9 | Very high | 88 | Confident | 108 Ų | 108 | 99.7 Ų | 99.7 | 41% | 0.408 | 57% | 0.57 | S | S | . | * | trans | -118.3 | 121.7 | 174.6 | -73.4 | 173.8 | -172.7 | -120.3 | 7.2 | 109.6 | N37 R38 A39 A58 H60 | N37-R41 WeakPolarHBondContact O-CD 3.37Å; R38-R41 PolarHBondContact O-N 3Å; A39-R41 WeakPolarHBondContact O-CG 3.4Å; A39-R41 PolarHBondContact O-N 2.85Å; A39-R41 VanDerWaalsContact O-N 3.11Å; R41-A58 HydrophobicContact CG-CB 3.95Å; R41-H60 PolarHBondContact NH2-CE1 2.7Å | ||
| 42 | V | 94 | Very high | 89.2 | Confident | 44 Ų | 44 | 96.1 Ų | 96.1 | 27% | 0.267 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 126.5 | 167.9 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | K49 V51 E55 | V42-K49 HydrophobicContact CG1-CD 4.1Å; V42-V51 HydrophobicContact CG1-CG2 4.08Å; V42-V51 HydrophobicContact CG2-CG1 4.17Å; V42-E55 HydrophobicContact CG2-CB 4.15Å; V42-E55 WeakPolarHBondContact CG2-O 3.49Å |
| 43 | R | 92.6 | Very high | 90.4 | Very high | 127 Ų | 127 | 96.1 Ų | 96.1 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 142.2 | 177.4 | -68.9 | -71 | 173.4 | -168.8 | -7.6 | 110.7 | ||
| 44 | V | 92.9 | Very high | 91.5 | Very high | 127 Ų | 127 | 91.5 Ų | 91.5 | 77% | 0.77 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 133.3 | 173.6 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | I167 | V44-I167 VanDerWaalsContact CA-CG2 3.46Å; V44-I167 HydrophobicContact CB-CG2 4.25Å; V44-I167 HydrophobicContact CG2-CG2 4.16Å |
| 45 | A | 91.8 | Very high | 92.7 | Very high | 57 Ų | 57 | 89.8 Ų | 89.8 | 47% | 0.471 | 48% | 0.478 | S | S | . | . | trans | -117.2 | -153.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | G47 K49 I167 | A45-G47 PolarHBondContact O-N 3.28Å; A45-K49 HydrophobicContact CB-CB 4.23Å; A45-I167 PolarHBondContact N-OXT 3.14Å | ||
| 46 | K | 93.1 | Very high | 93.5 | Very high | 188 Ų | 188 | 86 Ų | 86 | 82% | 0.817 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -76.3 | -3.8 | -179.2 | -164.1 | 176.3 | 175.3 | -172.8 | 0 | 113.3 | ||
| 47 | G | 92.4 | Very high | 93.9 | Very high | 33 Ų | 33 | 79.6 Ų | 79.6 | 34% | 0.34 | 42% | 0.419 | S | S | . | . | S | Bend | trans | 95.7 | 7.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A45 Y166 I167 | A45-G47 PolarHBondContact O-N 3.28Å; G47-Y166 VanDerWaalsContact O-CB 3.25Å; G47-Y166 WeakPolarHBondContact O-CB 3.18Å; G47-I167 WeakPolarHBondContact CA-O 3.41Å; G47-I167 PolarHBondContact N-O 3.24Å |
| 48 | D | 94.5 | Very high | 94.2 | Very high | 119 Ų | 119 | 74.3 Ų | 74.3 | 64% | 0.636 | 39% | 0.392 | S | S | * | . | trans | -97.7 | -8.9 | 179.6 | -57.3 | -42.6 | 0 | 0 | 0 | 112.4 | P50 | D48-P50 WeakPolarHBondContact O-CD 3.05Š| ||
| 49 | K | 95.6 | Very high | 94.5 | Very high | 98 Ų | 98 | 67.5 Ų | 67.5 | 43% | 0.426 | 37% | 0.373 | S | S | . | . | trans | -86.1 | 112.4 | -172.4 | -174.2 | 175.6 | 179.7 | 170.9 | 0 | 110.6 | V42 A45 V51 Y166 I167 | V42-K49 HydrophobicContact CG1-CD 4.1Å; A45-K49 HydrophobicContact CB-CB 4.23Å; K49-V51 HydrophobicContact CG-CG2 4.31Å; K49-Y166 WeakPolarHBondContact O-CA 3.46Å; K49-I167 WeakPolarHBondContact CB-O 3.25Å; K49-I167 PolarHBondContact N-O 3.01Å; K49-I167 PolarHBondContact O-N 3.2Å | ||
| 50 | P | 96 | Very high | 94.6 | Very high | 72 Ų | 72 | 69.1 Ų | 69.1 | 47% | 0.468 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 135 | 175.3 | 29.9 | -33.7 | 0 | 0 | 0 | 110.3 | D48 V163 Y166 | D48-P50 WeakPolarHBondContact O-CD 3.05Å; P50-V163 HydrophobicContact CB-CB 4.42Å; P50-V163 HydrophobicContact CB-CG1 3.75Å; P50-V163 HydrophobicContact CB-CG2 3.75Å; P50-Y166 HydrophobicContact CB-CD1 4.24Å; P50-Y166 HydrophobicContact CB-CE1 3.87Å |
| 51 | V | 95.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.012 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 134.7 | -179.7 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | V42 K49 E55 A56 Y164 K165 I167 | V42-V51 HydrophobicContact CG1-CG2 4.08Å; V42-V51 HydrophobicContact CG2-CG1 4.17Å; K49-V51 HydrophobicContact CG-CG2 4.31Å; V51-E55 HydrophobicContact CG1-CB 3.49Å; V51-E55 VanDerWaalsContact CG1-CB 3.49Å; V51-A56 HydrophobicContact CG1-CB 3.93Å; V51-Y164 PolarHBondContact O-N 2.72Å; V51-K165 PolarHBondContact N-O 2.93Å; V51-K165 PolarHBondContact O-N 2.81Å; V51-I167 HydrophobicContact CB-CD1 4.15Å; V51-I167 HydrophobicContact CB-CG1 4.46Å; V51-I167 HydrophobicContact CG1-CD1 4.28Å; V51-I167 HydrophobicContact CG2-CB 4.07Å; V51-I167 HydrophobicContact CG2-CD1 3.75Å; V51-I167 HydrophobicContact CG2-CG1 3.9Å |
| 52 | S | 96.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | trans | -70.5 | 162.1 | 174.1 | 62.1 | 0 | 0 | 0 | 0 | 111.4 | E54 E55 A56 D106 | S52-E54 VanDerWaalsContact C-N 3.27Å; S52-E54 PolarHBondContact O-N 2.93Å; S52-E55 PolarHBondContact N-OE2 2.91Å; S52-E55 PolarHBondContact O-N 2.83Å; S52-E55 WeakPolarHBondContact OG-CB 3.21Å; S52-E55 WeakPolarHBondContact OG-CG 3.33Å; S52-E55 PolarHBondContact OG-N 2.91Å; S52-E55 PolarHBondContact OG-OE2 3.38Å; S52-A56 WeakPolarHBondContact O-CB 3.47Å; S52-A56 PolarHBondContact O-N 3.26Å; S52-D106 WeakPolarHBondContact CB-OD1 3.49Å | ||
| 53 | Y | 96.6 | Very high | 95 | Very high | 89 Ų | 89 | 67 Ų | 67 | 35% | 0.349 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -55.7 | -44.8 | 176.7 | -177.7 | -95.5 | 0 | 0 | 0 | 111.8 | E55 A56 H57 R65 K66 Y164 | Y53-E55 PolarHBondContact O-N 2.99Å; Y53-A56 PolarHBondContact O-N 3.26Å; Y53-H57 AromaticContact CD2-NE2 3.8Å; Y53-H57 AromaticContact CE1-CD2 3.93Å; Y53-H57 AromaticContact CE2-CD2 3.75Å; Y53-H57 AromaticContact CE2-NE2 3.25Å; Y53-H57 VanDerWaalsContact CE2-NE2 3.25Å; Y53-H57 WeakPolarHBondContact CE2-NE2 3.49Å; Y53-H57 AromaticContact CZ-CD2 3.67Å; Y53-H57 AromaticContact CZ-NE2 3.5Å; Y53-H57 PolarHBondContact O-CD2 2.91Å; Y53-H57 VanDerWaalsContact O-CD2 3.28Å; Y53-R65 PolarHBondContact OH-O 3.31Å; Y53-K66 HydrophobicContact CE1-CG 3.92Å; Y53-Y164 HydrophobicContact CD2-CD1 4.17Å; Y53-Y164 AromaticContact CD2-CD2 3.82Å; Y53-Y164 HydrophobicContact CD2-CD2 3.82Å; Y53-Y164 HydrophobicContact CD2-CE1 4.18Å; Y53-Y164 AromaticContact CD2-CE2 3.83Å; Y53-Y164 HydrophobicContact CD2-CE2 3.83Å; Y53-Y164 AromaticContact CD2-CG 3.99Å; Y53-Y164 HydrophobicContact CD2-CG 3.99Å; Y53-Y164 HydrophobicContact CE2-CE2 4.22Å |
| 54 | E | 94.2 | Very high | 95.2 | Very high | 42 Ų | 42 | 68.5 Ų | 68.5 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.2 | -42.7 | -180 | -73.2 | -62.6 | 122.6 | 0 | 0 | 112.4 | S52 K66 | S52-E54 VanDerWaalsContact C-N 3.27Å; S52-E54 PolarHBondContact O-N 2.93Å; E54-K66 VanDerWaalsContact CD-CE 3.46Å; E54-K66 PolarHBondContact O-NZ 3.26Å; E54-K66 WeakPolarHBondContact OE2-CE 3.23Å; E54-K66 IonicContact OE2-NZ 2.78Å; E54-K66 PolarHBondContact OE2-NZ 2.88Å |
| 55 | E | 94.4 | Very high | 95.4 | Very high | 65 Ų | 65 | 69.5 Ų | 69.5 | 30% | 0.304 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -75.7 | -25.5 | 179.5 | -67.4 | 159.2 | 168.7 | 0 | 0 | 112.7 | V42 V51 S52 Y53 H57 K161 | V42-E55 HydrophobicContact CG2-CB 4.15Å; V42-E55 WeakPolarHBondContact CG2-O 3.49Å; V51-E55 HydrophobicContact CG1-CB 3.49Å; V51-E55 VanDerWaalsContact CG1-CB 3.49Å; S52-E55 PolarHBondContact N-OE2 2.91Å; S52-E55 PolarHBondContact O-N 2.83Å; S52-E55 WeakPolarHBondContact OG-CB 3.21Å; S52-E55 WeakPolarHBondContact OG-CG 3.33Å; S52-E55 PolarHBondContact OG-N 2.91Å; S52-E55 PolarHBondContact OG-OE2 3.38Å; Y53-E55 PolarHBondContact O-N 2.99Å; E55-H57 VanDerWaalsContact C-N 3.33Å; E55-H57 PolarHBondContact O-N 2.71Å; E55-K161 IonicContact OE1-NZ 2.98Å; E55-K161 PolarHBondContact OE1-NZ 2.98Å; E55-K161 IonicContact OE2-NZ 3.32Å; E55-K161 PolarHBondContact OE2-NZ 2.76Å |
| 56 | A | 95.1 | Very high | 95.6 | Very high | 15 Ų | 15 | 68.2 Ų | 68.2 | 12% | 0.124 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -73.7 | -20.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | V51 S52 Y53 Y164 K165 | V51-A56 HydrophobicContact CG1-CB 3.93Å; S52-A56 WeakPolarHBondContact O-CB 3.47Å; S52-A56 PolarHBondContact O-N 3.26Å; Y53-A56 PolarHBondContact O-N 3.26Å; A56-Y164 HydrophobicContact CB-CD1 3.76Å; A56-Y164 HydrophobicContact CB-CE1 4.32Å; A56-K165 HydrophobicContact CB-CD 4.31Å; A56-K165 HydrophobicContact CB-CG 4.41Å; A56-K165 PolarHBondContact O-NZ 2.8Å |
| 57 | H | 95.9 | Very high | 95.8 | Very high | 12 Ų | 12 | 61.6 Ų | 61.6 | 6% | 0.056 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -107.1 | 130.6 | -175.6 | -71.9 | -65.9 | 0 | 0 | 0 | 111.5 | Y53 E55 H61 K66 | Y53-H57 AromaticContact CD2-NE2 3.8Å; Y53-H57 AromaticContact CE1-CD2 3.93Å; Y53-H57 AromaticContact CE2-CD2 3.75Å; Y53-H57 AromaticContact CE2-NE2 3.25Å; Y53-H57 VanDerWaalsContact CE2-NE2 3.25Å; Y53-H57 WeakPolarHBondContact CE2-NE2 3.49Å; Y53-H57 AromaticContact CZ-CD2 3.67Å; Y53-H57 AromaticContact CZ-NE2 3.5Å; Y53-H57 PolarHBondContact O-CD2 2.91Å; Y53-H57 VanDerWaalsContact O-CD2 3.28Å; E55-H57 VanDerWaalsContact C-N 3.33Å; E55-H57 PolarHBondContact O-N 2.71Å; H57-H61 HydrophobicContact CB-CB 4.36Å; H57-H61 AromaticContact ND1-ND1 3.88Å; H57-K66 HydrophobicContact CB-CD 3.43Å; H57-K66 VanDerWaalsContact CB-CD 3.43Å; H57-K66 HydrophobicContact CB-CG 3.95Å |
| 58 | A | 95.7 | Very high | 96 | Very high | 12 Ų | 12 | 68 Ų | 68 | 10% | 0.099 | 35% | 0.345 | C | S | . | . | trans | -71 | 162.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R41 H60 H61 | R41-A58 HydrophobicContact CG-CB 3.95Å; A58-H60 VanDerWaalsContact C-N 3.3Å; A58-H60 WeakPolarHBondContact CB-CE1 3.38Å; A58-H60 PolarHBondContact O-N 3.09Å; A58-H60 VanDerWaalsContact O-N 3.14Å; A58-H61 PolarHBondContact O-N 3.3Å | ||
| 59 | P | 97.1 | Very high | 96.2 | Very high | 53 Ų | 53 | 63.9 Ų | 63.9 | 34% | 0.344 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -55.4 | -33.6 | -174.4 | -31.1 | 36.4 | 0 | 0 | 0 | 116.5 | A39 A40 H61 I62 | A39-P59 WeakPolarHBondContact O-CD 3.25Å; A40-P59 HydrophobicContact CB-CG 3.86Å; P59-H61 PolarHBondContact O-N 3.43Å; P59-H61 VanDerWaalsContact O-N 3.09Å; P59-I62 HydrophobicContact CB-CD1 4.49Å; P59-I62 WeakPolarHBondContact O-CB 3.46Å; P59-I62 WeakPolarHBondContact O-CD1 3.4Å; P59-I62 WeakPolarHBondContact O-CG1 3.22Å; P59-I62 PolarHBondContact O-N 3.04Å; P59-I62 VanDerWaalsContact O-N 3.08Å |
| 60 | H | 95.5 | Very high | 96.2 | Very high | 106 Ų | 106 | 60.3 Ų | 60.3 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -69.2 | -5.4 | -179.9 | 57.2 | -92.3 | 0 | 0 | 0 | 113.7 | R41 A58 | R41-H60 PolarHBondContact NH2-CE1 2.7Å; A58-H60 VanDerWaalsContact C-N 3.3Å; A58-H60 WeakPolarHBondContact CB-CE1 3.38Å; A58-H60 PolarHBondContact O-N 3.09Å; A58-H60 VanDerWaalsContact O-N 3.14Å |
| 61 | H | 97.1 | Very high | 96.3 | Very high | 39 Ų | 39 | 60.8 Ų | 60.8 | 18% | 0.181 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -95.2 | 2.2 | 172.6 | -65.1 | 136.7 | 0 | 0 | 0 | 113.6 | H57 A58 P59 H64 R65 K66 | H57-H61 HydrophobicContact CB-CB 4.36Å; H57-H61 AromaticContact ND1-ND1 3.88Å; A58-H61 PolarHBondContact O-N 3.3Å; P59-H61 PolarHBondContact O-N 3.43Å; P59-H61 VanDerWaalsContact O-N 3.09Å; H61-H64 PolarHBondContact O-N 2.91Å; H61-H64 VanDerWaalsContact O-N 3.14Å; H61-R65 HydrophobicContact CB-CB 4.26Å; H61-R65 HydrophobicContact CB-CG 4.38Å; H61-R65 PolarHBondContact O-N 3.3Å; H61-K66 PolarHBondContact O-N 2.95Å; H61-K66 VanDerWaalsContact O-N 3.09Å |
| 62 | I | 97.3 | Very high | 96.3 | Very high | 75 Ų | 75 | 62.5 Ų | 62.5 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | B | Isolated β-bridge | trans | -62.1 | 136.5 | 169 | -63.7 | 166.3 | 0 | 0 | 0 | 107.7 | P59 H64 | P59-I62 HydrophobicContact CB-CD1 4.49Å; P59-I62 WeakPolarHBondContact O-CB 3.46Å; P59-I62 WeakPolarHBondContact O-CD1 3.4Å; P59-I62 WeakPolarHBondContact O-CG1 3.22Å; P59-I62 PolarHBondContact O-N 3.04Å; P59-I62 VanDerWaalsContact O-N 3.08Å; I62-H64 PolarHBondContact O-N 3.32Å |
| 63 | A | 96.1 | Very high | 96.4 | Very high | 72 Ų | 72 | 66.6 Ų | 66.6 | 60% | 0.595 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | -3.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | K66 W68 | A63-K66 WeakPolarHBondContact CA-O 3.46Å; A63-K66 PolarHBondContact N-O 3.42Å; A63-W68 HydrophobicContact CB-CZ2 4.29Å |
| 64 | H | 97.1 | Very high | 96.3 | Very high | 159 Ų | 159 | 62.7 Ų | 62.7 | 74% | 0.736 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | -51 | 174.4 | -68.6 | -77 | 0 | 0 | 0 | 113.3 | H61 I62 | H61-H64 PolarHBondContact O-N 2.91Å; H61-H64 VanDerWaalsContact O-N 3.14Å; I62-H64 PolarHBondContact O-N 3.32Å |
| 65 | R | 96.3 | Very high | 96.4 | Very high | 148 Ų | 148 | 66.4 Ų | 66.4 | 56% | 0.558 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.1 | -37.8 | 178.6 | -56.9 | -177.5 | -175.4 | -177.3 | 2.9 | 110.3 | Y53 H61 | Y53-R65 PolarHBondContact OH-O 3.31Å; H61-R65 HydrophobicContact CB-CB 4.26Å; H61-R65 HydrophobicContact CB-CG 4.38Å; H61-R65 PolarHBondContact O-N 3.3Å |
| 66 | K | 96.3 | Very high | 96.5 | Very high | 30 Ų | 30 | 68.4 Ų | 68.4 | 13% | 0.13 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -106 | 144.4 | -179.6 | -72.2 | -173.2 | 47.6 | 165.5 | 0 | 112 | Y53 E54 H57 H61 A63 | Y53-K66 HydrophobicContact CE1-CG 3.92Å; E54-K66 VanDerWaalsContact CD-CE 3.46Å; E54-K66 PolarHBondContact O-NZ 3.26Å; E54-K66 WeakPolarHBondContact OE2-CE 3.23Å; E54-K66 IonicContact OE2-NZ 2.78Å; E54-K66 PolarHBondContact OE2-NZ 2.88Å; H57-K66 HydrophobicContact CB-CD 3.43Å; H57-K66 VanDerWaalsContact CB-CD 3.43Å; H57-K66 HydrophobicContact CB-CG 3.95Å; H61-K66 PolarHBondContact O-N 2.95Å; H61-K66 VanDerWaalsContact O-N 3.09Å; A63-K66 WeakPolarHBondContact CA-O 3.46Å; A63-K66 PolarHBondContact N-O 3.42Å |
| 67 | G | 96.6 | Very high | 96.6 | Very high | 49 Ų | 49 | 76 Ų | 76 | 51% | 0.505 | 40% | 0.4 | S | S | . | . | trans | -86.5 | -163.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 68 | W | 97.4 | Very high | 96.6 | Very high | 167 Ų | 167 | 78.8 Ų | 78.8 | 63% | 0.633 | 43% | 0.433 | S | S | * | . | trans | -101.9 | 143.3 | 174.4 | -59.2 | -73 | 0 | 0 | 0 | 111.6 | A63 L71 | A63-W68 HydrophobicContact CB-CZ2 4.29Å; W68-L71 HydrophobicContact CB-CD2 4.08Å; W68-L71 HydrophobicContact CE3-CD2 4.03Å | ||
| 69 | L | 97.4 | Very high | 96.6 | Very high | 34 Ų | 34 | 83.1 Ų | 83.1 | 18% | 0.178 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -85.7 | -10 | 177.9 | -62.9 | 173.6 | 0 | 0 | 0 | 113.5 | R93 Q107 V109 L110 | L69-R93 PolarHBondContact O-NH2 2.94Å; L69-Q107 HydrophobicContact CD1-CB 3.99Å; L69-V109 HydrophobicContact CD2-CG2 4.04Å; L69-V109 CarbonylContact O-C 3.59Å; L69-V109 WeakPolarHBondContact O-CA 3.25Å; L69-L110 PolarHBondContact O-N 3.33Å |
| 70 | S | 97.2 | Very high | 96.6 | Very high | 23 Ų | 23 | 86.4 Ų | 86.4 | 16% | 0.161 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 130.6 | 172.7 | 177.9 | 0 | 0 | 0 | 0 | 108.4 | H72 D89 L110 | S70-H72 PolarHBondContact OG-ND1 2.8Å; S70-D89 WeakPolarHBondContact CB-OD2 3.31Å; S70-D89 PolarHBondContact OG-OD2 2.83Å; S70-L110 WeakPolarHBondContact CA-O 3.45Å |
| 71 | L | 97.2 | Very high | 96.5 | Very high | 81 Ų | 81 | 86.6 Ų | 86.6 | 42% | 0.424 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 116.7 | 177.5 | -62.6 | 173.9 | 0 | 0 | 0 | 108.8 | W68 L110 R112 | W68-L71 HydrophobicContact CB-CD2 4.08Å; W68-L71 HydrophobicContact CE3-CD2 4.03Å; L71-L110 PolarHBondContact N-O 2.87Å; L71-R112 PolarHBondContact O-N 2.89Å |
| 72 | H | 96.6 | Very high | 96.4 | Very high | 39 Ų | 39 | 86.1 Ų | 86.1 | 18% | 0.181 | 47% | 0.469 | C | S | . | . | trans | -153.8 | 164.5 | 177.5 | 62 | -80 | 0 | 0 | 0 | 109.5 | S70 N75 R112 | S70-H72 PolarHBondContact OG-ND1 2.8Å; H72-N75 PolarHBondContact NE2-ND2 2.93Å; H72-R112 HydrophobicContact CB-CB 4.36Å; H72-R112 HydrophobicContact CB-CG 4.39Å | ||
| 73 | T | 96.6 | Very high | 96.4 | Very high | 89 Ų | 89 | 86 Ų | 86 | 55% | 0.546 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -84.7 | -20.4 | -174.9 | 52.4 | 0 | 0 | 0 | 0 | 114.3 | N75 L76 E79 | T73-N75 PolarHBondContact O-N 2.93Å; T73-L76 HydrophobicContact CG2-CD1 4.34Å; T73-L76 WeakPolarHBondContact O-CB 3.21Å; T73-L76 VanDerWaalsContact O-CG 3.29Å; T73-L76 WeakPolarHBondContact O-CG 3.4Å; T73-L76 PolarHBondContact O-N 2.87Å; T73-E79 WeakPolarHBondContact O-CB 3.3Å; T73-E79 WeakPolarHBondContact O-CG 3.32Å |
| 74 | G | 95 | Very high | 96.4 | Very high | 7 Ų | 7 | 87.2 Ų | 87.2 | 7% | 0.072 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -16.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 117 | A82 | G74-A82 WeakPolarHBondContact O-CB 3.35Š|
| 75 | N | 96.6 | Very high | 96.3 | Very high | 119 Ų | 119 | 83.7 Ų | 83.7 | 64% | 0.636 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 4.3 | 175.7 | -70.4 | -26.5 | 0 | 0 | 0 | 113.6 | H72 T73 | H72-N75 PolarHBondContact NE2-ND2 2.93Å; T73-N75 PolarHBondContact O-N 2.93Å |
| 76 | L | 97.1 | Very high | 96.3 | Very high | 108 Ų | 108 | 79.8 Ų | 79.8 | 57% | 0.565 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -78.3 | 158.2 | 174.1 | -59.7 | 172.3 | 0 | 0 | 0 | 110.2 | T73 G78 E79 | T73-L76 HydrophobicContact CG2-CD1 4.34Å; T73-L76 WeakPolarHBondContact O-CB 3.21Å; T73-L76 VanDerWaalsContact O-CG 3.29Å; T73-L76 WeakPolarHBondContact O-CG 3.4Å; T73-L76 PolarHBondContact O-N 2.87Å; L76-G78 PolarHBondContact O-N 2.79Å; L76-E79 HydrophobicContact CB-CB 4.41Å; L76-E79 HydrophobicContact CB-CG 3.78Å; L76-E79 PolarHBondContact O-N 2.95Å |
| 77 | D | 97.1 | Very high | 96.4 | Very high | 173 Ų | 173 | 84.6 Ų | 84.6 | 93% | 0.925 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 128.8 | 178.8 | -172.1 | 33.3 | 0 | 0 | 0 | 110.7 | E79 | D77-E79 VanDerWaalsContact C-N 3.32Å; D77-E79 PolarHBondContact O-N 3.28Å |
| 78 | G | 95.7 | Very high | 96.4 | Very high | 72 Ų | 72 | 83.6 Ų | 83.6 | 74% | 0.742 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 5.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | L76 | L76-G78 PolarHBondContact O-N 2.79Š|
| 79 | E | 96.7 | Very high | 96.4 | Very high | 103 Ų | 103 | 76.3 Ų | 76.3 | 48% | 0.481 | 43% | 0.428 | S | S | . | . | trans | -94.9 | 151.9 | 175.9 | -66.6 | -69.7 | 146.5 | 0 | 0 | 112.5 | T73 L76 D77 | T73-E79 WeakPolarHBondContact O-CB 3.3Å; T73-E79 WeakPolarHBondContact O-CG 3.32Å; L76-E79 HydrophobicContact CB-CB 4.41Å; L76-E79 HydrophobicContact CB-CG 3.78Å; L76-E79 PolarHBondContact O-N 2.95Å; D77-E79 VanDerWaalsContact C-N 3.32Å; D77-E79 PolarHBondContact O-N 3.28Å | ||
| 80 | D | 95.5 | Very high | 96.4 | Very high | 122 Ų | 122 | 78 Ų | 78 | 65% | 0.652 | 44% | 0.44 | S | S | * | . | trans | -105 | 179.9 | -179.1 | -70.7 | -46.3 | 0 | 0 | 0 | 112.7 | A82 | D80-A82 VanDerWaalsContact C-N 3.29Å; D80-A82 PolarHBondContact O-N 3.33Å | ||
| 81 | H | 94.1 | Very high | 96.4 | Very high | 110 Ų | 110 | 80.7 Ų | 80.7 | 51% | 0.509 | 45% | 0.448 | S | S | . | . | trans | 64.3 | 16.3 | 171.4 | -53.2 | -76.9 | 0 | 0 | 0 | 116.9 | A83 E84 R85 | H81-A83 PolarHBondContact O-N 3.28Å; H81-E84 IonicContact CE1-OE1 3.84Å; H81-E84 IonicContact ND1-OE1 2.98Å; H81-E84 PolarHBondContact ND1-OE1 3Å; H81-E84 IonicContact ND1-OE2 3.44Å; H81-E84 PolarHBondContact ND1-OE2 3.32Å; H81-E84 PolarHBondContact O-N 3.02Å; H81-R85 WeakPolarHBondContact O-CG 3.43Å; H81-R85 PolarHBondContact O-N 2.98Å | ||
| 82 | A | 95.8 | Very high | 96.4 | Very high | 29 Ų | 29 | 77 Ų | 77 | 24% | 0.24 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -53 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G74 D80 R85 T86 | G74-A82 WeakPolarHBondContact O-CB 3.35Å; D80-A82 VanDerWaalsContact C-N 3.29Å; D80-A82 PolarHBondContact O-N 3.33Å; A82-R85 PolarHBondContact O-N 3.27Å; A82-T86 WeakPolarHBondContact O-CB 3.44Å; A82-T86 PolarHBondContact O-N 3.32Å; A82-T86 PolarHBondContact O-OG1 3.07Å |
| 83 | A | 96.3 | Very high | 96.5 | Very high | 73 Ų | 73 | 78.4 Ų | 78.4 | 60% | 0.603 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.6 | -47 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | H81 R85 T86 L87 | H81-A83 PolarHBondContact O-N 3.28Å; A83-R85 PolarHBondContact O-N 3.34Å; A83-T86 PolarHBondContact O-N 3.47Å; A83-L87 WeakPolarHBondContact O-CG 3.14Å; A83-L87 PolarHBondContact O-N 3.2Å |
| 84 | E | 95.4 | Very high | 96.6 | Very high | 97 Ų | 97 | 81.3 Ų | 81.3 | 45% | 0.453 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 178.1 | -66.2 | 168.2 | -150.3 | 0 | 0 | 110.8 | H81 T86 L87 E88 | H81-E84 IonicContact CE1-OE1 3.84Å; H81-E84 IonicContact ND1-OE1 2.98Å; H81-E84 PolarHBondContact ND1-OE1 3Å; H81-E84 IonicContact ND1-OE2 3.44Å; H81-E84 PolarHBondContact ND1-OE2 3.32Å; H81-E84 PolarHBondContact O-N 3.02Å; E84-T86 VanDerWaalsContact C-N 3.26Å; E84-T86 PolarHBondContact O-N 3.01Å; E84-L87 PolarHBondContact O-N 2.82Å; E84-L87 VanDerWaalsContact O-N 3.13Å; E84-E88 WeakPolarHBondContact O-CG 3.16Å; E84-E88 PolarHBondContact O-N 2.66Å |
| 85 | R | 95.8 | Very high | 96.7 | Very high | 84 Ų | 84 | 82.4 Ų | 82.4 | 32% | 0.317 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.4 | -34.7 | 178.5 | -56.6 | -52.6 | 164.8 | -163.5 | -5.5 | 112.6 | H81 A82 A83 E88 D89 R112 | H81-R85 WeakPolarHBondContact O-CG 3.43Å; H81-R85 PolarHBondContact O-N 2.98Å; A82-R85 PolarHBondContact O-N 3.27Å; A83-R85 PolarHBondContact O-N 3.34Å; R85-E88 WeakPolarHBondContact CD-OE2 3.36Å; R85-E88 IonicContact CZ-OE1 2.71Å; R85-E88 IonicContact CZ-OE2 3.46Å; R85-E88 VanDerWaalsContact NH1-CD 3.31Å; R85-E88 IonicContact NH1-OE1 2.71Å; R85-E88 PolarHBondContact NH1-OE1 3.07Å; R85-E88 IonicContact NH1-OE2 2.89Å; R85-E88 PolarHBondContact NH1-OE2 2.99Å; R85-E88 VanDerWaalsContact NH1-OE2 3.08Å; R85-D89 PolarHBondContact O-N 3.47Å; R85-R112 PolarHBondContact O-NH2 3.47Å; R85-R112 VanDerWaalsContact O-NH2 3.09Å |
| 86 | T | 96.7 | Very high | 96.7 | Very high | 67 Ų | 67 | 76.7 Ų | 76.7 | 41% | 0.411 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.9 | -41 | 175.5 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | A82 A83 E84 D89 V90 | A82-T86 WeakPolarHBondContact O-CB 3.44Å; A82-T86 PolarHBondContact O-N 3.32Å; A82-T86 PolarHBondContact O-OG1 3.07Å; A83-T86 PolarHBondContact O-N 3.47Å; E84-T86 VanDerWaalsContact C-N 3.26Å; E84-T86 PolarHBondContact O-N 3.01Å; T86-D89 PolarHBondContact O-N 2.92Å; T86-V90 WeakPolarHBondContact O-CG2 3.43Å; T86-V90 PolarHBondContact O-N 3.01Å |
| 87 | L | 97.4 | Very high | 96.7 | Very high | 130 Ų | 130 | 77.2 Ų | 77.2 | 68% | 0.681 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.5 | -43.5 | 176.4 | -69.1 | 176.3 | 0 | 0 | 0 | 111.6 | A83 E84 D89 V90 F91 | A83-L87 WeakPolarHBondContact O-CG 3.14Å; A83-L87 PolarHBondContact O-N 3.2Å; E84-L87 PolarHBondContact O-N 2.82Å; E84-L87 VanDerWaalsContact O-N 3.13Å; L87-D89 VanDerWaalsContact C-N 3.33Å; L87-D89 PolarHBondContact O-N 3.15Å; L87-V90 PolarHBondContact O-N 3.44Å; L87-F91 WeakPolarHBondContact O-CB 3.19Å; L87-F91 PolarHBondContact O-N 2.81Å |
| 88 | E | 96.6 | Very high | 96.6 | Very high | 29 Ų | 29 | 71.7 Ų | 71.7 | 14% | 0.136 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -56.9 | -46.5 | 172.9 | -68.3 | 174.3 | 176.1 | 0 | 0 | 111.5 | E84 R85 V90 F91 L92 R112 Y147 | E84-E88 WeakPolarHBondContact O-CG 3.16Å; E84-E88 PolarHBondContact O-N 2.66Å; R85-E88 WeakPolarHBondContact CD-OE2 3.36Å; R85-E88 IonicContact CZ-OE1 2.71Å; R85-E88 IonicContact CZ-OE2 3.46Å; R85-E88 VanDerWaalsContact NH1-CD 3.31Å; R85-E88 IonicContact NH1-OE1 2.71Å; R85-E88 PolarHBondContact NH1-OE1 3.07Å; R85-E88 IonicContact NH1-OE2 2.89Å; R85-E88 PolarHBondContact NH1-OE2 2.99Å; R85-E88 VanDerWaalsContact NH1-OE2 3.08Å; E88-V90 PolarHBondContact O-N 2.96Å; E88-F91 PolarHBondContact O-N 3.01Å; E88-L92 WeakPolarHBondContact O-CB 3.06Å; E88-L92 VanDerWaalsContact O-CG 3.31Å; E88-L92 WeakPolarHBondContact O-CG 3.26Å; E88-L92 PolarHBondContact O-N 3.02Å; E88-R112 IonicContact OE2-CZ 2.63Å; E88-R112 IonicContact OE2-NE 3.98Å; E88-R112 PolarHBondContact OE2-NE 3.44Å; E88-R112 IonicContact OE2-NH2 3.11Å; E88-R112 PolarHBondContact OE2-NH2 2.79Å; E88-Y147 HydrophobicContact CB-CE1 4.33Å; E88-Y147 HydrophobicContact CG-CD1 4.23Å; E88-Y147 HydrophobicContact CG-CE1 3.62Å |
| 89 | D | 97.2 | Very high | 96.6 | Very high | 13 Ų | 13 | 69.2 Ų | 69.2 | 7% | 0.07 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | -179.6 | -74.1 | -8.2 | 0 | 0 | 0 | 112.4 | S70 R85 T86 L87 F91 L92 R93 L110 R112 | S70-D89 WeakPolarHBondContact CB-OD2 3.31Å; S70-D89 PolarHBondContact OG-OD2 2.83Å; R85-D89 PolarHBondContact O-N 3.47Å; T86-D89 PolarHBondContact O-N 2.92Å; L87-D89 VanDerWaalsContact C-N 3.33Å; L87-D89 PolarHBondContact O-N 3.15Å; D89-F91 VanDerWaalsContact C-N 3.34Å; D89-L92 PolarHBondContact O-N 3.39Å; D89-R93 WeakPolarHBondContact O-CB 3.18Å; D89-R93 WeakPolarHBondContact O-CG 3.37Å; D89-R93 PolarHBondContact O-N 3.32Å; D89-L110 HydrophobicContact CB-CD1 3.84Å; D89-L110 VanDerWaalsContact OD1-CD1 3.28Å; D89-L110 WeakPolarHBondContact OD1-CD1 3.44Å; D89-R112 IonicContact OD1-CZ 2.93Å; D89-R112 IonicContact OD1-NH1 3.56Å; D89-R112 PolarHBondContact OD1-NH1 2.93Å; D89-R112 IonicContact OD1-NH2 3.4Å; D89-R112 PolarHBondContact OD1-NH2 3.28Å; D89-R112 IonicContact OD2-NH1 2.68Å; D89-R112 PolarHBondContact OD2-NH1 2.9Å |
| 90 | V | 97.8 | Very high | 96.6 | Very high | 71 Ų | 71 | 64.3 Ų | 64.3 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 177.8 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | T86 L87 E88 K94 | T86-V90 WeakPolarHBondContact O-CG2 3.43Å; T86-V90 PolarHBondContact O-N 3.01Å; L87-V90 PolarHBondContact O-N 3.44Å; E88-V90 PolarHBondContact O-N 2.96Å; V90-K94 WeakPolarHBondContact O-CG 3.35Å; V90-K94 PolarHBondContact O-N 2.7Å |
| 91 | F | 98 | Very high | 96.5 | Very high | 78 Ų | 78 | 62.5 Ų | 62.5 | 34% | 0.342 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.6 | -51.7 | 175.3 | 175.3 | -93.5 | 0 | 0 | 0 | 111.4 | L87 E88 D89 R93 K94 F95 L143 F146 Y147 | L87-F91 WeakPolarHBondContact O-CB 3.19Å; L87-F91 PolarHBondContact O-N 2.81Å; E88-F91 PolarHBondContact O-N 3.01Å; D89-F91 VanDerWaalsContact C-N 3.34Å; F91-R93 VanDerWaalsContact C-N 3.27Å; F91-R93 PolarHBondContact O-N 2.84Å; F91-K94 PolarHBondContact O-N 2.63Å; F91-F95 HydrophobicContact CD1-CB 4.45Å; F91-F95 HydrophobicContact CE1-CB 4.15Å; F91-F95 HydrophobicContact CE1-CG 4.41Å; F91-F95 HydrophobicContact CZ-CB 4.42Å; F91-F95 HydrophobicContact CZ-CD2 4.34Å; F91-F95 WeakPolarHBondContact O-CB 3.34Å; F91-F95 PolarHBondContact O-N 2.93Å; F91-L143 HydrophobicContact CE1-CD2 4.02Å; F91-F146 HydrophobicContact CE1-CE1 4.4Å; F91-F146 HydrophobicContact CZ-CE1 4.49Å; F91-Y147 HydrophobicContact CD1-CE2 4.21Å; F91-Y147 AromaticContact CD1-CZ 3.94Å; F91-Y147 WeakPolarHBondContact CD1-OH 3.21Å; F91-Y147 HydrophobicContact CE1-CE2 4.36Å |
| 92 | L | 97.7 | Very high | 96.4 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58 | -39.7 | -179.5 | -72.5 | 175 | 0 | 0 | 0 | 111.9 | E88 D89 F95 M96 L110 V117 I119 L143 Y147 | E88-L92 WeakPolarHBondContact O-CB 3.06Å; E88-L92 VanDerWaalsContact O-CG 3.31Å; E88-L92 WeakPolarHBondContact O-CG 3.26Å; E88-L92 PolarHBondContact O-N 3.02Å; D89-L92 PolarHBondContact O-N 3.39Å; L92-F95 PolarHBondContact O-N 3.48Å; L92-M96 WeakPolarHBondContact O-CB 3.49Å; L92-M96 WeakPolarHBondContact O-CG 3.2Å; L92-M96 PolarHBondContact O-N 3.28Å; L92-L110 HydrophobicContact CB-CD1 4.38Å; L92-L110 HydrophobicContact CB-CD2 4.41Å; L92-L110 HydrophobicContact CD1-CD1 4.33Å; L92-L110 HydrophobicContact CD1-CD2 4.13Å; L92-V117 HydrophobicContact CD1-CG1 4.2Å; L92-I119 HydrophobicContact CD1-CD1 4.42Å; L92-I119 HydrophobicContact CD2-CD1 3.86Å; L92-L143 HydrophobicContact CD2-CD1 3.79Å; L92-L143 HydrophobicContact CD2-CD2 3.82Å; L92-L143 HydrophobicContact CD2-CG 4.42Å; L92-Y147 HydrophobicContact CD2-CE2 3.98Å; L92-Y147 HydrophobicContact CG-CE2 4.38Å |
| 93 | R | 97.7 | Very high | 96.4 | Very high | 68 Ų | 68 | 58.6 Ų | 58.6 | 26% | 0.257 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 175.3 | -73.2 | 174.6 | -169.1 | -68.3 | -10.2 | 112.4 | L69 D89 F91 L97 I108 | L69-R93 PolarHBondContact O-NH2 2.94Å; D89-R93 WeakPolarHBondContact O-CB 3.18Å; D89-R93 WeakPolarHBondContact O-CG 3.37Å; D89-R93 PolarHBondContact O-N 3.32Å; F91-R93 VanDerWaalsContact C-N 3.27Å; F91-R93 PolarHBondContact O-N 2.84Å; R93-L97 WeakPolarHBondContact O-CB 3.32Å; R93-L97 PolarHBondContact O-N 3.09Å; R93-L97 VanDerWaalsContact O-N 3.15Å; R93-I108 HydrophobicContact CB-CD1 4.22Å; R93-I108 HydrophobicContact CG-CD1 3.62Å; R93-I108 HydrophobicContact CG-CG1 3.76Å; R93-I108 PolarHBondContact NH1-O 2.97Å |
| 94 | K | 97.7 | Very high | 96.3 | Very high | 151 Ų | 151 | 56.9 Ų | 56.9 | 66% | 0.657 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -70.9 | -42 | 178.2 | -70.7 | -179.7 | 179.4 | -178.6 | 0 | 112 | V90 F91 L97 G98 | V90-K94 WeakPolarHBondContact O-CG 3.35Å; V90-K94 PolarHBondContact O-N 2.7Å; F91-K94 PolarHBondContact O-N 2.63Å; K94-L97 PolarHBondContact O-N 2.94Å; K94-G98 PolarHBondContact O-N 2.83Å |
| 95 | F | 97.6 | Very high | 96.3 | Very high | 29 Ų | 29 | 52.5 Ų | 52.5 | 13% | 0.127 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.5 | -54 | 176.8 | 178.3 | -98.1 | 0 | 0 | 0 | 110.3 | F91 L92 L97 G98 T99 Y138 L142 L143 | F91-F95 HydrophobicContact CD1-CB 4.45Å; F91-F95 HydrophobicContact CE1-CB 4.15Å; F91-F95 HydrophobicContact CE1-CG 4.41Å; F91-F95 HydrophobicContact CZ-CB 4.42Å; F91-F95 HydrophobicContact CZ-CD2 4.34Å; F91-F95 WeakPolarHBondContact O-CB 3.34Å; F91-F95 PolarHBondContact O-N 2.93Å; L92-F95 PolarHBondContact O-N 3.48Å; F95-L97 VanDerWaalsContact C-N 3.32Å; F95-L97 PolarHBondContact O-N 2.82Å; F95-G98 CarbonylContact O-C 3.58Å; F95-G98 WeakPolarHBondContact O-CA 3.2Å; F95-G98 PolarHBondContact O-N 3.32Å; F95-T99 WeakPolarHBondContact CE1-OG1 3.15Å; F95-T99 WeakPolarHBondContact CZ-OG1 3.2Å; F95-T99 PolarHBondContact O-N 2.92Å; F95-T99 PolarHBondContact O-OG1 2.68Å; F95-Y138 HydrophobicContact CZ-CE1 4.05Å; F95-L142 HydrophobicContact CE2-CD2 4.31Å; F95-L142 HydrophobicContact CZ-CD2 4.41Å; F95-L143 HydrophobicContact CD1-CD1 4.17Å; F95-L143 HydrophobicContact CD1-CD2 4.17Å; F95-L143 HydrophobicContact CD1-CG 4.49Å; F95-L143 HydrophobicContact CE1-CD1 3.95Å; F95-L143 HydrophobicContact CE1-CD2 4.15Å; F95-L143 HydrophobicContact CE1-CG 4.1Å; F95-L143 HydrophobicContact CZ-CD2 4.48Å |
| 96 | M | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 179.6 | -70.2 | -62.6 | -67.4 | 0 | 0 | 112.9 | L92 G98 F100 L104 I108 I119 A121 L153 | L92-M96 WeakPolarHBondContact O-CB 3.49Å; L92-M96 WeakPolarHBondContact O-CG 3.2Å; L92-M96 PolarHBondContact O-N 3.28Å; M96-G98 VanDerWaalsContact C-N 3.29Å; M96-G98 PolarHBondContact O-N 3.42Å; M96-F100 HydrophobicContact CE-CD2 3.58Å; M96-F100 HydrophobicContact CE-CE2 3.41Å; M96-F100 VanDerWaalsContact CE-CE2 3.41Å; M96-F100 HydrophobicContact CE-CZ 4.45Å; M96-F100 PolarHBondContact O-N 2.71Å; M96-F100 HydrophobicContact SD-CD2 4.13Å; M96-F100 HydrophobicContact SD-CE2 3.85Å; M96-L104 HydrophobicContact CB-CD1 4.39Å; M96-I108 HydrophobicContact CB-CD1 4.25Å; M96-I108 HydrophobicContact CB-CG2 4.3Å; M96-I108 HydrophobicContact CG-CD1 4.1Å; M96-I119 HydrophobicContact CE-CG2 4.06Å; M96-I119 HydrophobicContact CG-CG2 4.23Å; M96-I119 HydrophobicContact SD-CG2 4.24Å; M96-A121 HydrophobicContact CE-CB 4.26Å; M96-L153 HydrophobicContact CE-CD1 3.93Å; M96-L153 HydrophobicContact CE-CD2 4.41Å; M96-L153 HydrophobicContact CE-CG 4.33Å; M96-L153 HydrophobicContact SD-CD1 4.02Å |
| 97 | L | 96.4 | Very high | 96.2 | Very high | 119 Ų | 119 | 52 Ų | 52 | 62% | 0.623 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.4 | -35.4 | 175.2 | -173.9 | 67.5 | 0 | 0 | 0 | 112.2 | R93 K94 F95 L104 | R93-L97 WeakPolarHBondContact O-CB 3.32Å; R93-L97 PolarHBondContact O-N 3.09Å; R93-L97 VanDerWaalsContact O-N 3.15Å; K94-L97 PolarHBondContact O-N 2.94Å; F95-L97 VanDerWaalsContact C-N 3.32Å; F95-L97 PolarHBondContact O-N 2.82Å; L97-L104 HydrophobicContact CD1-CD1 4.45Å |
| 98 | G | 96.1 | Very high | 96.2 | Very high | 56 Ų | 56 | 46.2 Ų | 46.2 | 58% | 0.577 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -78.2 | -39.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K94 F95 M96 | K94-G98 PolarHBondContact O-N 2.83Å; F95-G98 CarbonylContact O-C 3.58Å; F95-G98 WeakPolarHBondContact O-CA 3.2Å; F95-G98 PolarHBondContact O-N 3.32Å; M96-G98 VanDerWaalsContact C-N 3.29Å; M96-G98 PolarHBondContact O-N 3.42Å |
| 99 | T | 95.9 | Very high | 96.3 | Very high | 20 Ų | 20 | 47 Ų | 47 | 12% | 0.123 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.9 | -33.4 | -178.8 | -52.2 | 0 | 0 | 0 | 0 | 112.3 | F95 P101 L135 Y138 | F95-T99 WeakPolarHBondContact CE1-OG1 3.15Å; F95-T99 WeakPolarHBondContact CZ-OG1 3.2Å; F95-T99 PolarHBondContact O-N 2.92Å; F95-T99 PolarHBondContact O-OG1 2.68Å; T99-P101 WeakPolarHBondContact O-CD 3.29Å; T99-L135 HydrophobicContact CG2-CD2 3.97Å; T99-Y138 HydrophobicContact CG2-CD1 4.36Å; T99-Y138 HydrophobicContact CG2-CE1 4.38Å |
| 100 | F | 95.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -114.9 | 67.3 | -179.9 | -63.6 | -82.9 | 0 | 0 | 0 | 111.3 | M96 G102 C103 L104 F132 L135 L153 L155 | M96-F100 HydrophobicContact CE-CD2 3.58Å; M96-F100 HydrophobicContact CE-CE2 3.41Å; M96-F100 VanDerWaalsContact CE-CE2 3.41Å; M96-F100 HydrophobicContact CE-CZ 4.45Å; M96-F100 PolarHBondContact O-N 2.71Å; M96-F100 HydrophobicContact SD-CD2 4.13Å; M96-F100 HydrophobicContact SD-CE2 3.85Å; F100-G102 PolarHBondContact O-N 3.43Å; F100-C103 HydrophobicContact CB-CB 4.2Å; F100-C103 PolarHBondContact O-N 3.24Å; F100-L104 HydrophobicContact CB-CD2 4.33Å; F100-L104 HydrophobicContact CB-CG 4.17Å; F100-F132 HydrophobicContact CD1-CD1 4.24Å; F100-F132 HydrophobicContact CD1-CE1 4.11Å; F100-F132 AromaticContact CE1-CD1 3.99Å; F100-F132 HydrophobicContact CE1-CD1 3.99Å; F100-F132 HydrophobicContact CE1-CE1 4.34Å; F100-L135 HydrophobicContact CD1-CD1 4.01Å; F100-L135 HydrophobicContact CE1-CB 3.73Å; F100-L135 HydrophobicContact CE1-CD1 3.85Å; F100-L135 HydrophobicContact CE1-CG 4.46Å; F100-L135 HydrophobicContact CZ-CB 3.83Å; F100-L153 HydrophobicContact CE2-CD1 4.3Å; F100-L153 HydrophobicContact CZ-CD1 4.42Å; F100-L155 HydrophobicContact CE1-CD1 4.38Å |
| 101 | P | 94.2 | Very high | 96.3 | Very high | 85 Ų | 85 | 46.9 Ų | 46.9 | 55% | 0.552 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 127.1 | -174.4 | 28.3 | -35.4 | 0 | 0 | 0 | 110.9 | T99 C103 | T99-P101 WeakPolarHBondContact O-CD 3.29Å; P101-C103 PolarHBondContact O-N 3.15Å; P101-C103 PolarHBondContact O-SG 3.27Å |
| 102 | G | 92.1 | Very high | 96.2 | Very high | 55 Ų | 55 | 45 Ų | 45 | 57% | 0.567 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | -5.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | F100 Q126 | F100-G102 PolarHBondContact O-N 3.43Å; G102-Q126 VanDerWaalsContact O-CD 3.26Å; G102-Q126 PolarHBondContact O-NE2 3.46Å; G102-Q126 PolarHBondContact O-OE1 2.71Å |
| 103 | C | 94.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -27.3 | -173.4 | -63.7 | 0 | 0 | 0 | 0 | 112.7 | F100 P101 A105 V123 L124 L127 F132 | F100-C103 HydrophobicContact CB-CB 4.2Å; F100-C103 PolarHBondContact O-N 3.24Å; P101-C103 PolarHBondContact O-N 3.15Å; P101-C103 PolarHBondContact O-SG 3.27Å; C103-A105 PolarHBondContact O-N 3.4Å; C103-V123 HydrophobicContact CB-CG1 3.59Å; C103-V123 CarbonylContact O-C 3.47Å; C103-V123 VanDerWaalsContact O-CA 3.31Å; C103-V123 WeakPolarHBondContact O-CA 3.17Å; C103-V123 VanDerWaalsContact O-CG1 3.23Å; C103-V123 WeakPolarHBondContact O-CG1 3.45Å; C103-L124 PolarHBondContact O-N 3.03Å; C103-L127 VanDerWaalsContact SG-CD1 3.53Å; C103-F132 HydrophobicContact CB-CE1 4.5Å |
| 104 | L | 95.6 | Very high | 95.8 | Very high | 36 Ų | 36 | 54 Ų | 54 | 19% | 0.188 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -69.7 | 121.5 | -180 | -65.2 | 178.3 | 0 | 0 | 0 | 111.1 | M96 L97 F100 I108 A121 V123 | M96-L104 HydrophobicContact CB-CD1 4.39Å; L97-L104 HydrophobicContact CD1-CD1 4.45Å; F100-L104 HydrophobicContact CB-CD2 4.33Å; F100-L104 HydrophobicContact CB-CG 4.17Å; L104-I108 HydrophobicContact CD1-CG2 4.24Å; L104-I108 HydrophobicContact CD2-CG2 4.46Å; L104-A121 HydrophobicContact CD2-CB 3.96Å; L104-V123 HydrophobicContact CD2-CG2 4.39Å |
| 105 | A | 95 | Very high | 95.7 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 5% | 0.05 | 30% | 0.304 | C | S | . | . | trans | -80.5 | -43.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C103 V122 L124 K161 | C103-A105 PolarHBondContact O-N 3.4Å; A105-V122 HydrophobicContact CB-CB 4.48Å; A105-V122 HydrophobicContact CB-CG1 4.03Å; A105-V122 PolarHBondContact N-O 3.02Å; A105-L124 HydrophobicContact CB-CD2 3.81Å; A105-L124 HydrophobicContact CB-CG 3.97Å; A105-K161 VanDerWaalsContact O-CE 3.26Å; A105-K161 WeakPolarHBondContact O-CE 3.49Å | ||
| 106 | D | 95.4 | Very high | 95.6 | Very high | 42 Ų | 42 | 52.7 Ų | 52.7 | 23% | 0.225 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -131.9 | 177.2 | -177.7 | -75.3 | -40 | 0 | 0 | 0 | 111.2 | S52 | S52-D106 WeakPolarHBondContact CB-OD1 3.49Š|
| 107 | Q | 95.4 | Very high | 95.6 | Very high | 99 Ų | 99 | 53.2 Ų | 53.2 | 46% | 0.463 | 31% | 0.312 | S | S | . | . | trans | -67.7 | 144.4 | 177.1 | -58.8 | -171.8 | 20.2 | 0 | 0 | 111.3 | L69 | L69-Q107 HydrophobicContact CD1-CB 3.99Š| ||
| 108 | I | 96.9 | Very high | 95.6 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | trans | -71 | 145.6 | 179.1 | 68.1 | 171.8 | 0 | 0 | 0 | 111.9 | R93 M96 L104 L110 A121 | R93-I108 HydrophobicContact CB-CD1 4.22Å; R93-I108 HydrophobicContact CG-CD1 3.62Å; R93-I108 HydrophobicContact CG-CG1 3.76Å; R93-I108 PolarHBondContact NH1-O 2.97Å; M96-I108 HydrophobicContact CB-CD1 4.25Å; M96-I108 HydrophobicContact CB-CG2 4.3Å; M96-I108 HydrophobicContact CG-CD1 4.1Å; L104-I108 HydrophobicContact CD1-CG2 4.24Å; L104-I108 HydrophobicContact CD2-CG2 4.46Å; I108-L110 HydrophobicContact CD1-CD2 3.86Å; I108-L110 HydrophobicContact CD1-CG 4.3Å; I108-L110 HydrophobicContact CG1-CD2 4.42Å; I108-L110 HydrophobicContact CG1-CG 4.49Å; I108-A121 HydrophobicContact CG2-CB 4.14Å | ||
| 109 | V | 98 | Very high | 95.7 | Very high | 45 Ų | 45 | 45 Ų | 45 | 27% | 0.273 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 122.7 | 174.9 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | L69 K111 C120 | L69-V109 HydrophobicContact CD2-CG2 4.04Å; L69-V109 CarbonylContact O-C 3.59Å; L69-V109 WeakPolarHBondContact O-CA 3.25Å; V109-K111 HydrophobicContact CG1-CG 4.4Å; V109-C120 HydrophobicContact CB-CB 4.18Å; V109-C120 PolarHBondContact N-O 3.02Å; V109-C120 PolarHBondContact O-N 2.95Å |
| 110 | L | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128.9 | -178.7 | -59.3 | 176.6 | 0 | 0 | 0 | 109.4 | L69 S70 L71 D89 L92 I108 I119 | L69-L110 PolarHBondContact O-N 3.33Å; S70-L110 WeakPolarHBondContact CA-O 3.45Å; L71-L110 PolarHBondContact N-O 2.87Å; D89-L110 HydrophobicContact CB-CD1 3.84Å; D89-L110 VanDerWaalsContact OD1-CD1 3.28Å; D89-L110 WeakPolarHBondContact OD1-CD1 3.44Å; L92-L110 HydrophobicContact CB-CD1 4.38Å; L92-L110 HydrophobicContact CB-CD2 4.41Å; L92-L110 HydrophobicContact CD1-CD1 4.33Å; L92-L110 HydrophobicContact CD1-CD2 4.13Å; I108-L110 HydrophobicContact CD1-CD2 3.86Å; I108-L110 HydrophobicContact CD1-CG 4.3Å; I108-L110 HydrophobicContact CG1-CD2 4.42Å; I108-L110 HydrophobicContact CG1-CG 4.49Å; L110-I119 HydrophobicContact CD2-CB 4.39Å; L110-I119 HydrophobicContact CD2-CG1 3.97Å; L110-I119 HydrophobicContact CD2-CG2 4.15Å |
| 111 | K | 97.8 | Very high | 95.9 | Very high | 82 Ų | 82 | 45.7 Ų | 45.7 | 36% | 0.357 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.8 | 175.6 | -56 | 179.4 | -178.6 | 178 | 0 | 108.6 | V109 D118 | V109-K111 HydrophobicContact CG1-CG 4.4Å; K111-D118 HydrophobicContact CB-CB 4.25Å; K111-D118 PolarHBondContact N-O 3.34Å; K111-D118 PolarHBondContact O-N 3.14Å |
| 112 | R | 96.6 | Very high | 96.1 | Very high | 38 Ų | 38 | 43.1 Ų | 43.1 | 14% | 0.143 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 126.1 | 170.3 | -64.3 | -172.1 | 177.1 | 78.4 | -2.9 | 109 | L71 H72 R85 E88 D89 Q116 V117 | L71-R112 PolarHBondContact O-N 2.89Å; H72-R112 HydrophobicContact CB-CB 4.36Å; H72-R112 HydrophobicContact CB-CG 4.39Å; R85-R112 PolarHBondContact O-NH2 3.47Å; R85-R112 VanDerWaalsContact O-NH2 3.09Å; E88-R112 IonicContact OE2-CZ 2.63Å; E88-R112 IonicContact OE2-NE 3.98Å; E88-R112 PolarHBondContact OE2-NE 3.44Å; E88-R112 IonicContact OE2-NH2 3.11Å; E88-R112 PolarHBondContact OE2-NH2 2.79Å; D89-R112 IonicContact OD1-CZ 2.93Å; D89-R112 IonicContact OD1-NH1 3.56Å; D89-R112 PolarHBondContact OD1-NH1 2.93Å; D89-R112 IonicContact OD1-NH2 3.4Å; D89-R112 PolarHBondContact OD1-NH2 3.28Å; D89-R112 IonicContact OD2-NH1 2.68Å; D89-R112 PolarHBondContact OD2-NH1 2.9Å; R112-Q116 WeakPolarHBondContact CA-O 3.43Å; R112-V117 HydrophobicContact CG-CG2 4.41Å |
| 113 | R | 94.4 | Very high | 96.3 | Very high | 147 Ų | 147 | 40.5 Ų | 40.5 | 56% | 0.555 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 110.5 | 177.5 | -68.7 | -173.2 | -69.3 | -158.5 | 5.9 | 108.4 | N115 Q116 D118 | R113-N115 PolarHBondContact O-N 3.09Å; R113-Q116 PolarHBondContact N-O 3.21Å; R113-Q116 WeakPolarHBondContact O-CB 3.42Å; R113-Q116 PolarHBondContact O-N 3.06Å; R113-D118 IonicContact CZ-OD2 3.99Å; R113-D118 IonicContact NE-OD2 3.08Å; R113-D118 PolarHBondContact NE-OD2 3.4Å; R113-D118 IonicContact NH2-OD1 3.1Å; R113-D118 IonicContact NH2-OD2 3.8Å; R113-D118 PolarHBondContact NH2-OD2 2.92Å |
| 114 | A | 92.7 | Very high | 96.4 | Very high | 114 Ų | 114 | 41.6 Ų | 41.6 | 94% | 0.942 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | -131.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q116 | A114-Q116 VanDerWaalsContact C-N 3.26Å; A114-Q116 PolarHBondContact O-N 2.78Å |
| 115 | N | 94.3 | Very high | 96.3 | Very high | 107 Ų | 107 | 47.6 Ų | 47.6 | 57% | 0.572 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -5.9 | 177.5 | -166 | 27.5 | 0 | 0 | 0 | 113.7 | R113 C149 P150 | R113-N115 PolarHBondContact O-N 3.09Å; N115-C149 WeakPolarHBondContact O-CB 3.38Å; N115-C149 WeakPolarHBondContact OD1-CB 3.4Å; N115-P150 WeakPolarHBondContact O-CD 3.32Å |
| 116 | Q | 95.8 | Very high | 96.1 | Very high | 45 Ų | 45 | 52.8 Ų | 52.8 | 21% | 0.21 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 137.5 | -175.4 | -172.3 | 176 | -22.7 | 0 | 0 | 112 | R112 R113 A114 D118 P150 | R112-Q116 WeakPolarHBondContact CA-O 3.43Å; R113-Q116 PolarHBondContact N-O 3.21Å; R113-Q116 WeakPolarHBondContact O-CB 3.42Å; R113-Q116 PolarHBondContact O-N 3.06Å; A114-Q116 VanDerWaalsContact C-N 3.26Å; A114-Q116 PolarHBondContact O-N 2.78Å; Q116-D118 PolarHBondContact NE2-OD1 2.95Å; Q116-P150 WeakPolarHBondContact CA-O 3.39Å; Q116-P150 HydrophobicContact CB-CG 4.23Å; Q116-P150 HydrophobicContact CG-CG 4.45Å; Q116-P150 WeakPolarHBondContact CG-O 3.48Å |
| 117 | V | 97.1 | Very high | 95.9 | Very high | 12 Ų | 12 | 53.4 Ų | 53.4 | 7% | 0.073 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 116.2 | 172.6 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | L92 R112 I119 P150 V151 R152 | L92-V117 HydrophobicContact CD1-CG1 4.2Å; R112-V117 HydrophobicContact CG-CG2 4.41Å; V117-I119 HydrophobicContact CG1-CG1 4.36Å; V117-P150 PolarHBondContact N-O 3.2Å; V117-P150 VanDerWaalsContact N-O 3.09Å; V117-V151 HydrophobicContact CB-CG2 4.31Å; V117-V151 WeakPolarHBondContact O-CA 3.36Å; V117-R152 PolarHBondContact O-N 2.82Å |
| 118 | D | 97.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 116.6 | 177.6 | -60.2 | -49.9 | 0 | 0 | 0 | 110.1 | K111 R113 Q116 R152 H154 | K111-D118 HydrophobicContact CB-CB 4.25Å; K111-D118 PolarHBondContact N-O 3.34Å; K111-D118 PolarHBondContact O-N 3.14Å; R113-D118 IonicContact CZ-OD2 3.99Å; R113-D118 IonicContact NE-OD2 3.08Å; R113-D118 PolarHBondContact NE-OD2 3.4Å; R113-D118 IonicContact NH2-OD1 3.1Å; R113-D118 IonicContact NH2-OD2 3.8Å; R113-D118 PolarHBondContact NH2-OD2 2.92Å; Q116-D118 PolarHBondContact NE2-OD1 2.95Å; D118-R152 WeakPolarHBondContact CA-O 3.35Å; D118-H154 IonicContact OD1-NE2 3.97Å |
| 119 | I | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 111.4 | 178.4 | -56.3 | 174.6 | 0 | 0 | 0 | 107.9 | L92 M96 L110 V117 L143 V151 R152 L153 H154 | L92-I119 HydrophobicContact CD1-CD1 4.42Å; L92-I119 HydrophobicContact CD2-CD1 3.86Å; M96-I119 HydrophobicContact CE-CG2 4.06Å; M96-I119 HydrophobicContact CG-CG2 4.23Å; M96-I119 HydrophobicContact SD-CG2 4.24Å; L110-I119 HydrophobicContact CD2-CB 4.39Å; L110-I119 HydrophobicContact CD2-CG1 3.97Å; L110-I119 HydrophobicContact CD2-CG2 4.15Å; V117-I119 HydrophobicContact CG1-CG1 4.36Å; I119-L143 HydrophobicContact CD1-CD1 3.74Å; I119-V151 HydrophobicContact CD1-CG1 3.81Å; I119-V151 HydrophobicContact CG1-CG1 4.29Å; I119-R152 PolarHBondContact N-O 2.82Å; I119-L153 HydrophobicContact CB-CG 4.37Å; I119-H154 PolarHBondContact O-N 2.9Å |
| 120 | C | 98 | Very high | 95.7 | Very high | 30 Ų | 30 | 57.8 Ų | 57.8 | 20% | 0.203 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 122.8 | 176.6 | -58.5 | 0 | 0 | 0 | 0 | 109.5 | V109 H154 | V109-C120 HydrophobicContact CB-CB 4.18Å; V109-C120 PolarHBondContact N-O 3.02Å; V109-C120 PolarHBondContact O-N 2.95Å; C120-H154 WeakPolarHBondContact CA-O 3.29Å |
| 121 | A | 97.3 | Very high | 95.6 | Very high | 5 Ų | 5 | 62.9 Ų | 62.9 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 139.2 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | M96 L104 I108 V123 H154 L155 Q156 | M96-A121 HydrophobicContact CE-CB 4.26Å; L104-A121 HydrophobicContact CD2-CB 3.96Å; I108-A121 HydrophobicContact CG2-CB 4.14Å; A121-V123 HydrophobicContact CB-CG2 4.31Å; A121-H154 PolarHBondContact N-O 2.8Å; A121-L155 HydrophobicContact CB-CD2 3.89Å; A121-L155 WeakPolarHBondContact O-CA 3.47Å; A121-Q156 PolarHBondContact O-N 3.49Å |
| 122 | V | 97.2 | Very high | 95.5 | Very high | 31 Ų | 31 | 59.8 Ų | 59.8 | 19% | 0.188 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 123.6 | 172.1 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | A105 Q156 V158 | A105-V122 HydrophobicContact CB-CB 4.48Å; A105-V122 HydrophobicContact CB-CG1 4.03Å; A105-V122 PolarHBondContact N-O 3.02Å; V122-Q156 CarbonylContact C-O 3.5Å; V122-Q156 WeakPolarHBondContact CA-O 3.47Å; V122-V158 HydrophobicContact CG1-CB 4.27Å; V122-V158 HydrophobicContact CG1-CG2 3.37Å |
| 123 | V | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 142.5 | -167.5 | -160.1 | 0 | 0 | 0 | 0 | 111.3 | C103 L104 A121 F132 L155 Q156 T157 V158 | C103-V123 HydrophobicContact CB-CG1 3.59Å; C103-V123 CarbonylContact O-C 3.47Å; C103-V123 VanDerWaalsContact O-CA 3.31Å; C103-V123 WeakPolarHBondContact O-CA 3.17Å; C103-V123 VanDerWaalsContact O-CG1 3.23Å; C103-V123 WeakPolarHBondContact O-CG1 3.45Å; L104-V123 HydrophobicContact CD2-CG2 4.39Å; A121-V123 HydrophobicContact CB-CG2 4.31Å; V123-F132 HydrophobicContact CG1-CE1 3.59Å; V123-F132 HydrophobicContact CG1-CZ 3.76Å; V123-L155 HydrophobicContact CG2-CB 4.4Å; V123-L155 HydrophobicContact CG2-CD2 3.56Å; V123-L155 HydrophobicContact CG2-CG 4.38Å; V123-Q156 PolarHBondContact N-O 3.27Å; V123-T157 CarbonylContact O-C 3.58Å; V123-T157 VanDerWaalsContact O-CA 3.25Å; V123-T157 WeakPolarHBondContact O-CA 3.34Å; V123-V158 PolarHBondContact O-N 3.4Å |
| 124 | L | 95.9 | Very high | 95.7 | Very high | 25 Ų | 25 | 66.6 Ų | 66.6 | 13% | 0.131 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 147.7 | 173.5 | -60.4 | 175.9 | 0 | 0 | 0 | 110.8 | C103 A105 Q126 V158 | C103-L124 PolarHBondContact O-N 3.03Å; A105-L124 HydrophobicContact CB-CD2 3.81Å; A105-L124 HydrophobicContact CB-CG 3.97Å; L124-Q126 HydrophobicContact CB-CG 4.08Å; L124-Q126 PolarHBondContact O-N 3.14Å; L124-V158 WeakPolarHBondContact CA-O 3.4Å |
| 125 | R | 93.8 | Very high | 95.9 | Very high | 162 Ų | 162 | 62.7 Ų | 62.7 | 61% | 0.611 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | 47.9 | 179.2 | -61.1 | 178.5 | -178.3 | 171.9 | 3.3 | 112.9 | T157 V158 | R125-T157 PolarHBondContact NE-OG1 3.4Å; R125-V158 PolarHBondContact N-O 3.3Å |
| 126 | Q | 90.9 | Very high | 96 | Very high | 115 Ų | 115 | 58.7 Ų | 58.7 | 54% | 0.537 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -32.4 | -179.4 | -69.3 | 178.3 | 5.7 | 0 | 0 | 113.1 | G102 L124 | G102-Q126 VanDerWaalsContact O-CD 3.26Å; G102-Q126 PolarHBondContact O-NE2 3.46Å; G102-Q126 PolarHBondContact O-OE1 2.71Å; L124-Q126 HydrophobicContact CB-CG 4.08Å; L124-Q126 PolarHBondContact O-N 3.14Å |
| 127 | L | 91.4 | Very high | 96.1 | Very high | 55 Ų | 55 | 58.1 Ų | 58.1 | 29% | 0.288 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -102.5 | 151.9 | -179.2 | -65.7 | 172.9 | 0 | 0 | 0 | 111.3 | C103 K131 F132 L135 | C103-L127 VanDerWaalsContact SG-CD1 3.53Å; L127-K131 HydrophobicContact CD2-CD 4.45Å; L127-F132 HydrophobicContact CB-CD2 4.26Å; L127-F132 HydrophobicContact CB-CE1 4.37Å; L127-F132 HydrophobicContact CB-CE2 3.74Å; L127-F132 HydrophobicContact CB-CZ 3.79Å; L127-F132 HydrophobicContact CD1-CE1 4.33Å; L127-F132 HydrophobicContact CD1-CZ 4.43Å; L127-F132 HydrophobicContact CG-CZ 4.48Å; L127-F132 WeakPolarHBondContact O-CE2 3.45Å; L127-L135 HydrophobicContact CD1-CD1 4.49Å |
| 128 | P | 94.9 | Very high | 96.2 | Very high | 56 Ų | 56 | 62.4 Ų | 62.4 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | trans | -68.4 | 150 | 172.4 | 30.8 | -36.9 | 0 | 0 | 0 | 111.3 | H130 K131 F132 | P128-H130 VanDerWaalsContact C-N 3.3Å; P128-H130 VanDerWaalsContact CB-CE1 3.41Å; P128-H130 WeakPolarHBondContact CB-CE1 3.33Å; P128-H130 WeakPolarHBondContact CG-CE1 3.38Å; P128-H130 PolarHBondContact O-N 3.24Å; P128-K131 HydrophobicContact CG-CB 4.41Å; P128-K131 HydrophobicContact CG-CD 3.88Å; P128-K131 HydrophobicContact CG-CG 3.98Å; P128-K131 PolarHBondContact O-N 3.09Å; P128-K131 VanDerWaalsContact O-N 3.08Å; P128-F132 PolarHBondContact O-N 3.38Å | ||
| 129 | A | 95 | Very high | 96.2 | Very high | 62 Ų | 62 | 62.3 Ų | 62.3 | 51% | 0.512 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -55.8 | -38.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K131 F132 Y133 | A129-K131 VanDerWaalsContact C-N 3.27Å; A129-K131 PolarHBondContact O-N 2.53Å; A129-F132 WeakPolarHBondContact O-CB 3.25Å; A129-F132 PolarHBondContact O-N 3.19Å; A129-Y133 HydrophobicContact CB-CE2 4.27Å; A129-Y133 WeakPolarHBondContact O-CD2 2.84Å; A129-Y133 PolarHBondContact O-N 3.49Å |
| 130 | H | 96.1 | Very high | 96.2 | Very high | 127 Ų | 127 | 65.1 Ų | 65.1 | 59% | 0.588 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.6 | -34.2 | -179.6 | 60.7 | -97 | 0 | 0 | 0 | 112.8 | P128 F134 | P128-H130 VanDerWaalsContact C-N 3.3Å; P128-H130 VanDerWaalsContact CB-CE1 3.41Å; P128-H130 WeakPolarHBondContact CB-CE1 3.33Å; P128-H130 WeakPolarHBondContact CG-CE1 3.38Å; P128-H130 PolarHBondContact O-N 3.24Å; H130-F134 PolarHBondContact O-N 2.89Å; H130-F134 VanDerWaalsContact O-N 3.07Å |
| 131 | K | 95.8 | Very high | 96.2 | Very high | 106 Ų | 106 | 67.4 Ų | 67.4 | 46% | 0.461 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -70.7 | -36.2 | 174.7 | -68.2 | -174.8 | -175.1 | 179.7 | 0 | 111.4 | L127 P128 A129 F134 L135 | L127-K131 HydrophobicContact CD2-CD 4.45Å; P128-K131 HydrophobicContact CG-CB 4.41Å; P128-K131 HydrophobicContact CG-CD 3.88Å; P128-K131 HydrophobicContact CG-CG 3.98Å; P128-K131 PolarHBondContact O-N 3.09Å; P128-K131 VanDerWaalsContact O-N 3.08Å; A129-K131 VanDerWaalsContact C-N 3.27Å; A129-K131 PolarHBondContact O-N 2.53Å; K131-F134 PolarHBondContact O-N 3.31Å; K131-L135 WeakPolarHBondContact O-CB 3.35Å; K131-L135 WeakPolarHBondContact O-CG 3.5Å; K131-L135 PolarHBondContact O-N 3.47Å |
| 132 | F | 95.9 | Very high | 96.2 | Very high | 18 Ų | 18 | 69.9 Ų | 69.9 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.6 | -49.8 | 173.7 | -77.8 | -59.3 | 0 | 0 | 0 | 111.2 | F100 C103 V123 L127 P128 A129 F134 L135 V136 L155 | F100-F132 HydrophobicContact CD1-CD1 4.24Å; F100-F132 HydrophobicContact CD1-CE1 4.11Å; F100-F132 AromaticContact CE1-CD1 3.99Å; F100-F132 HydrophobicContact CE1-CD1 3.99Å; F100-F132 HydrophobicContact CE1-CE1 4.34Å; C103-F132 HydrophobicContact CB-CE1 4.5Å; V123-F132 HydrophobicContact CG1-CE1 3.59Å; V123-F132 HydrophobicContact CG1-CZ 3.76Å; L127-F132 HydrophobicContact CB-CD2 4.26Å; L127-F132 HydrophobicContact CB-CE1 4.37Å; L127-F132 HydrophobicContact CB-CE2 3.74Å; L127-F132 HydrophobicContact CB-CZ 3.79Å; L127-F132 HydrophobicContact CD1-CE1 4.33Å; L127-F132 HydrophobicContact CD1-CZ 4.43Å; L127-F132 HydrophobicContact CG-CZ 4.48Å; L127-F132 WeakPolarHBondContact O-CE2 3.45Å; P128-F132 PolarHBondContact O-N 3.38Å; A129-F132 WeakPolarHBondContact O-CB 3.25Å; A129-F132 PolarHBondContact O-N 3.19Å; F132-F134 VanDerWaalsContact C-N 3.28Å; F132-F134 PolarHBondContact O-N 2.99Å; F132-L135 PolarHBondContact O-N 3.11Å; F132-V136 WeakPolarHBondContact O-CB 3.38Å; F132-V136 WeakPolarHBondContact O-CG2 3.46Å; F132-V136 PolarHBondContact O-N 2.71Å; F132-L155 HydrophobicContact CD1-CD1 4.17Å |
| 133 | Y | 96.9 | Very high | 96.2 | Very high | 181 Ų | 181 | 68.5 Ų | 68.5 | 71% | 0.71 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -60.1 | -38.6 | 177.6 | -72 | -68.6 | 0 | 0 | 0 | 112.7 | A129 V136 G137 | A129-Y133 HydrophobicContact CB-CE2 4.27Å; A129-Y133 WeakPolarHBondContact O-CD2 2.84Å; A129-Y133 PolarHBondContact O-N 3.49Å; Y133-V136 PolarHBondContact O-N 3.49Å; Y133-G137 PolarHBondContact O-N 3.03Å |
| 134 | F | 97.4 | Very high | 96.3 | Very high | 147 Ų | 147 | 70.1 Ų | 70.1 | 65% | 0.645 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61 | -50.3 | 173.2 | 176.7 | -95.5 | 0 | 0 | 0 | 112.3 | H130 K131 F132 V136 G137 Y138 | H130-F134 PolarHBondContact O-N 2.89Å; H130-F134 VanDerWaalsContact O-N 3.07Å; K131-F134 PolarHBondContact O-N 3.31Å; F132-F134 VanDerWaalsContact C-N 3.28Å; F132-F134 PolarHBondContact O-N 2.99Å; F134-V136 VanDerWaalsContact C-N 3.31Å; F134-V136 PolarHBondContact O-N 2.83Å; F134-G137 PolarHBondContact O-N 3.25Å; F134-Y138 WeakPolarHBondContact O-CB 3.48Å; F134-Y138 PolarHBondContact O-N 3.37Å |
| 135 | L | 97 | Very high | 96.4 | Very high | 31 Ų | 31 | 75.4 Ų | 75.4 | 16% | 0.162 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.3 | -34.8 | -180 | -70.4 | 174.1 | 0 | 0 | 0 | 112.3 | T99 F100 L127 K131 F132 S139 | T99-L135 HydrophobicContact CG2-CD2 3.97Å; F100-L135 HydrophobicContact CD1-CD1 4.01Å; F100-L135 HydrophobicContact CE1-CB 3.73Å; F100-L135 HydrophobicContact CE1-CD1 3.85Å; F100-L135 HydrophobicContact CE1-CG 4.46Å; F100-L135 HydrophobicContact CZ-CB 3.83Å; L127-L135 HydrophobicContact CD1-CD1 4.49Å; K131-L135 WeakPolarHBondContact O-CB 3.35Å; K131-L135 WeakPolarHBondContact O-CG 3.5Å; K131-L135 PolarHBondContact O-N 3.47Å; F132-L135 PolarHBondContact O-N 3.11Å; L135-S139 VanDerWaalsContact O-CB 3.32Å; L135-S139 WeakPolarHBondContact O-CB 3.5Å; L135-S139 PolarHBondContact O-N 3.48Å; L135-S139 PolarHBondContact O-OG 2.81Å |
| 136 | V | 97.6 | Very high | 96.5 | Very high | 24 Ų | 24 | 73.5 Ų | 73.5 | 15% | 0.145 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.5 | -53.4 | 172.8 | 170.8 | 0 | 0 | 0 | 0 | 109.9 | F132 Y133 F134 Y138 S139 E140 L153 L155 | F132-V136 WeakPolarHBondContact O-CB 3.38Å; F132-V136 WeakPolarHBondContact O-CG2 3.46Å; F132-V136 PolarHBondContact O-N 2.71Å; Y133-V136 PolarHBondContact O-N 3.49Å; F134-V136 VanDerWaalsContact C-N 3.31Å; F134-V136 PolarHBondContact O-N 2.83Å; V136-Y138 PolarHBondContact O-N 3.23Å; V136-S139 PolarHBondContact O-N 2.97Å; V136-S139 PolarHBondContact O-OG 3.43Å; V136-E140 HydrophobicContact CG1-CG 4.36Å; V136-E140 WeakPolarHBondContact O-CB 3.38Å; V136-E140 WeakPolarHBondContact O-CG 3.16Å; V136-E140 PolarHBondContact O-N 3.37Å; V136-L153 HydrophobicContact CG1-CB 4.44Å; V136-L153 HydrophobicContact CG2-CD2 4.26Å; V136-L155 HydrophobicContact CG2-CD1 3.51Å; V136-L155 HydrophobicContact CG2-CG 4.15Å |
| 137 | G | 97.9 | Very high | 96.8 | Very high | 32 Ų | 32 | 70.5 Ų | 70.5 | 33% | 0.33 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y133 F134 T141 | Y133-G137 PolarHBondContact O-N 3.03Å; F134-G137 PolarHBondContact O-N 3.25Å; G137-T141 WeakPolarHBondContact O-CB 3.48Å; G137-T141 VanDerWaalsContact O-CG2 3.3Å; G137-T141 WeakPolarHBondContact O-CG2 3.28Å; G137-T141 PolarHBondContact O-N 3.08Å; G137-T141 VanDerWaalsContact O-N 3.09Å; G137-T141 PolarHBondContact O-OG1 3.09Å |
| 138 | Y | 97.9 | Very high | 97 | Very high | 102 Ų | 102 | 75.9 Ų | 75.9 | 40% | 0.4 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.2 | -48.5 | 174.9 | 164.5 | -104.4 | 0 | 0 | 0 | 112.4 | F95 T99 F134 V136 T141 L142 | F95-Y138 HydrophobicContact CZ-CE1 4.05Å; T99-Y138 HydrophobicContact CG2-CD1 4.36Å; T99-Y138 HydrophobicContact CG2-CE1 4.38Å; F134-Y138 WeakPolarHBondContact O-CB 3.48Å; F134-Y138 PolarHBondContact O-N 3.37Å; V136-Y138 PolarHBondContact O-N 3.23Å; Y138-T141 PolarHBondContact O-OG1 3.13Å; Y138-T141 VanDerWaalsContact O-OG1 3.07Å; Y138-L142 HydrophobicContact CE1-CD1 4.39Å; Y138-L142 HydrophobicContact CE2-CD1 3.71Å; Y138-L142 WeakPolarHBondContact O-CB 3.31Å; Y138-L142 PolarHBondContact O-N 3.31Å; Y138-L142 VanDerWaalsContact OH-CD1 3.29Å; Y138-L142 WeakPolarHBondContact OH-CD1 2.97Å |
| 139 | S | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -71.2 | -43.2 | -177.6 | 51.5 | 0 | 0 | 0 | 0 | 112.4 | L135 V136 T141 L143 L153 | L135-S139 VanDerWaalsContact O-CB 3.32Å; L135-S139 WeakPolarHBondContact O-CB 3.5Å; L135-S139 PolarHBondContact O-N 3.48Å; L135-S139 PolarHBondContact O-OG 2.81Å; V136-S139 PolarHBondContact O-N 2.97Å; V136-S139 PolarHBondContact O-OG 3.43Å; S139-T141 PolarHBondContact O-N 3.25Å; S139-L143 WeakPolarHBondContact O-CB 3.46Å; S139-L143 WeakPolarHBondContact O-CG 3.21Å; S139-L143 PolarHBondContact O-N 3.48Å; S139-L153 WeakPolarHBondContact OG-CD1 3.37Å |
| 140 | E | 97.9 | Very high | 97.2 | Very high | 58 Ų | 58 | 73.8 Ų | 73.8 | 27% | 0.271 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 177.3 | -72.4 | -175.9 | 157.5 | 0 | 0 | 111.5 | V136 S144 L153 | V136-E140 HydrophobicContact CG1-CG 4.36Å; V136-E140 WeakPolarHBondContact O-CB 3.38Å; V136-E140 WeakPolarHBondContact O-CG 3.16Å; V136-E140 PolarHBondContact O-N 3.37Å; E140-S144 WeakPolarHBondContact O-CB 3.29Å; E140-S144 PolarHBondContact O-N 3.08Å; E140-S144 PolarHBondContact O-OG 2.78Å; E140-L153 HydrophobicContact CG-CB 3.9Å; E140-L153 PolarHBondContact OE1-N 2.98Å |
| 141 | T | 98.2 | Very high | 97.3 | Very high | 78 Ų | 78 | 68.1 Ų | 68.1 | 48% | 0.479 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.6 | -50.7 | 179 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | G137 Y138 S139 L143 S144 H145 | G137-T141 WeakPolarHBondContact O-CB 3.48Å; G137-T141 VanDerWaalsContact O-CG2 3.3Å; G137-T141 WeakPolarHBondContact O-CG2 3.28Å; G137-T141 PolarHBondContact O-N 3.08Å; G137-T141 VanDerWaalsContact O-N 3.09Å; G137-T141 PolarHBondContact O-OG1 3.09Å; Y138-T141 PolarHBondContact O-OG1 3.13Å; Y138-T141 VanDerWaalsContact O-OG1 3.07Å; S139-T141 PolarHBondContact O-N 3.25Å; T141-L143 PolarHBondContact O-N 3.49Å; T141-S144 PolarHBondContact O-N 3.5Å; T141-H145 PolarHBondContact O-CD2 3.28Å; T141-H145 PolarHBondContact O-N 2.98Å |
| 142 | L | 98.2 | Very high | 97.4 | Very high | 58 Ų | 58 | 69.8 Ų | 69.8 | 30% | 0.304 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.7 | -49.6 | -179.4 | -175.6 | 158.4 | 0 | 0 | 0 | 111.4 | F95 Y138 S144 H145 F146 | F95-L142 HydrophobicContact CE2-CD2 4.31Å; F95-L142 HydrophobicContact CZ-CD2 4.41Å; Y138-L142 HydrophobicContact CE1-CD1 4.39Å; Y138-L142 HydrophobicContact CE2-CD1 3.71Å; Y138-L142 WeakPolarHBondContact O-CB 3.31Å; Y138-L142 PolarHBondContact O-N 3.31Å; Y138-L142 VanDerWaalsContact OH-CD1 3.29Å; Y138-L142 WeakPolarHBondContact OH-CD1 2.97Å; L142-S144 VanDerWaalsContact C-N 3.31Å; L142-S144 PolarHBondContact O-N 3.24Å; L142-H145 PolarHBondContact O-N 3.32Å; L142-F146 WeakPolarHBondContact O-CB 3.39Å; L142-F146 PolarHBondContact O-N 2.95Å |
| 143 | L | 97.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.8 | -35.8 | -178 | -65.3 | 174.4 | 0 | 0 | 0 | 111.4 | F91 L92 F95 I119 S139 T141 F146 Y147 V151 | F91-L143 HydrophobicContact CE1-CD2 4.02Å; L92-L143 HydrophobicContact CD2-CD1 3.79Å; L92-L143 HydrophobicContact CD2-CD2 3.82Å; L92-L143 HydrophobicContact CD2-CG 4.42Å; F95-L143 HydrophobicContact CD1-CD1 4.17Å; F95-L143 HydrophobicContact CD1-CD2 4.17Å; F95-L143 HydrophobicContact CD1-CG 4.49Å; F95-L143 HydrophobicContact CE1-CD1 3.95Å; F95-L143 HydrophobicContact CE1-CD2 4.15Å; F95-L143 HydrophobicContact CE1-CG 4.1Å; F95-L143 HydrophobicContact CZ-CD2 4.48Å; I119-L143 HydrophobicContact CD1-CD1 3.74Å; S139-L143 WeakPolarHBondContact O-CB 3.46Å; S139-L143 WeakPolarHBondContact O-CG 3.21Å; S139-L143 PolarHBondContact O-N 3.48Å; T141-L143 PolarHBondContact O-N 3.49Å; L143-F146 PolarHBondContact O-N 2.99Å; L143-Y147 HydrophobicContact CD2-CD2 4.44Å; L143-Y147 HydrophobicContact CD2-CE2 4.1Å; L143-Y147 PolarHBondContact O-N 3.06Å; L143-V151 HydrophobicContact CB-CB 4.13Å; L143-V151 HydrophobicContact CB-CG1 4.12Å; L143-V151 HydrophobicContact CB-CG2 3.85Å; L143-V151 HydrophobicContact CD1-CG1 4.1Å |
| 144 | S | 97.5 | Very high | 97.5 | Very high | 34 Ų | 34 | 65 Ų | 65 | 24% | 0.238 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 175.4 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | E140 T141 L142 K148 C149 V151 | E140-S144 WeakPolarHBondContact O-CB 3.29Å; E140-S144 PolarHBondContact O-N 3.08Å; E140-S144 PolarHBondContact O-OG 2.78Å; T141-S144 PolarHBondContact O-N 3.5Å; L142-S144 VanDerWaalsContact C-N 3.31Å; L142-S144 PolarHBondContact O-N 3.24Å; S144-K148 VanDerWaalsContact O-CA 3.25Å; S144-K148 WeakPolarHBondContact O-CA 3.46Å; S144-K148 PolarHBondContact O-N 3.02Å; S144-C149 WeakPolarHBondContact CA-O 3.32Å; S144-C149 WeakPolarHBondContact CB-O 3.49Å; S144-C149 PolarHBondContact O-N 3.44Å; S144-C149 PolarHBondContact OG-O 3.29Å; S144-V151 PolarHBondContact OG-N 2.78Å; S144-V151 VanDerWaalsContact OG-N 3.15Å |
| 145 | H | 98 | Very high | 97.5 | Very high | 136 Ų | 136 | 60.7 Ų | 60.7 | 63% | 0.63 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -71.1 | -31.3 | 175.6 | -75.8 | -66.4 | 0 | 0 | 0 | 113.5 | T141 L142 K148 | T141-H145 PolarHBondContact O-CD2 3.28Å; T141-H145 PolarHBondContact O-N 2.98Å; L142-H145 PolarHBondContact O-N 3.32Å; H145-K148 WeakPolarHBondContact O-CD 3.39Å; H145-K148 VanDerWaalsContact O-CE 3.29Å; H145-K148 WeakPolarHBondContact O-CE 3.39Å; H145-K148 PolarHBondContact O-NZ 3.18Å |
| 146 | F | 97.3 | Very high | 97.5 | Very high | 122 Ų | 122 | 65.3 Ų | 65.3 | 54% | 0.535 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -74.6 | -51 | 180 | -173.6 | -105.6 | 0 | 0 | 0 | 111.8 | F91 L142 L143 | F91-F146 HydrophobicContact CE1-CE1 4.4Å; F91-F146 HydrophobicContact CZ-CE1 4.49Å; L142-F146 WeakPolarHBondContact O-CB 3.39Å; L142-F146 PolarHBondContact O-N 2.95Å; L143-F146 PolarHBondContact O-N 2.99Å |
| 147 | Y | 95.7 | Very high | 97.4 | Very high | 52 Ų | 52 | 67.4 Ų | 67.4 | 20% | 0.204 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -88.6 | -6.6 | -177.8 | -70.1 | -60.4 | 0 | 0 | 0 | 114.6 | E88 F91 L92 L143 C149 | E88-Y147 HydrophobicContact CB-CE1 4.33Å; E88-Y147 HydrophobicContact CG-CD1 4.23Å; E88-Y147 HydrophobicContact CG-CE1 3.62Å; F91-Y147 HydrophobicContact CD1-CE2 4.21Å; F91-Y147 AromaticContact CD1-CZ 3.94Å; F91-Y147 WeakPolarHBondContact CD1-OH 3.21Å; F91-Y147 HydrophobicContact CE1-CE2 4.36Å; L92-Y147 HydrophobicContact CD2-CE2 3.98Å; L92-Y147 HydrophobicContact CG-CE2 4.38Å; L143-Y147 HydrophobicContact CD2-CD2 4.44Å; L143-Y147 HydrophobicContact CD2-CE2 4.1Å; L143-Y147 PolarHBondContact O-N 3.06Å; Y147-C149 WeakPolarHBondContact CB-SG 3.4Å; Y147-C149 PolarHBondContact O-N 2.98Å |
| 148 | K | 97.2 | Very high | 97.4 | Very high | 168 Ų | 168 | 66.9 Ų | 66.9 | 73% | 0.73 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 58.5 | 27.8 | -176.4 | -49.2 | -57.9 | -179.2 | -165.2 | 0 | 113.2 | S144 H145 | S144-K148 VanDerWaalsContact O-CA 3.25Å; S144-K148 WeakPolarHBondContact O-CA 3.46Å; S144-K148 PolarHBondContact O-N 3.02Å; H145-K148 WeakPolarHBondContact O-CD 3.39Å; H145-K148 VanDerWaalsContact O-CE 3.29Å; H145-K148 WeakPolarHBondContact O-CE 3.39Å; H145-K148 PolarHBondContact O-NZ 3.18Å |
| 149 | C | 95.6 | Very high | 97.2 | Very high | 14 Ų | 14 | 66.7 Ų | 66.7 | 10% | 0.095 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -132.5 | 151.7 | -179.1 | 70.7 | 0 | 0 | 0 | 0 | 110.3 | N115 S144 Y147 V151 | N115-C149 WeakPolarHBondContact O-CB 3.38Å; N115-C149 WeakPolarHBondContact OD1-CB 3.4Å; S144-C149 WeakPolarHBondContact CA-O 3.32Å; S144-C149 WeakPolarHBondContact CB-O 3.49Å; S144-C149 PolarHBondContact O-N 3.44Å; S144-C149 PolarHBondContact OG-O 3.29Å; Y147-C149 WeakPolarHBondContact CB-SG 3.4Å; Y147-C149 PolarHBondContact O-N 2.98Å; C149-V151 PolarHBondContact O-N 3.05Å |
| 150 | P | 97.5 | Very high | 97.1 | Very high | 61 Ų | 61 | 70.3 Ų | 70.3 | 40% | 0.396 | 36% | 0.358 | S | S | . | . | trans | -68.8 | 118.4 | 175.6 | 26.5 | -32.1 | 0 | 0 | 0 | 110.3 | N115 Q116 V117 | N115-P150 WeakPolarHBondContact O-CD 3.32Å; Q116-P150 WeakPolarHBondContact CA-O 3.39Å; Q116-P150 HydrophobicContact CB-CG 4.23Å; Q116-P150 HydrophobicContact CG-CG 4.45Å; Q116-P150 WeakPolarHBondContact CG-O 3.48Å; V117-P150 PolarHBondContact N-O 3.2Å; V117-P150 VanDerWaalsContact N-O 3.09Å | ||
| 151 | V | 98.1 | Very high | 96.9 | Very high | 7 Ų | 7 | 71.5 Ų | 71.5 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131.1 | 175.4 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | V117 I119 L143 S144 C149 | V117-V151 HydrophobicContact CB-CG2 4.31Å; V117-V151 WeakPolarHBondContact O-CA 3.36Å; I119-V151 HydrophobicContact CD1-CG1 3.81Å; I119-V151 HydrophobicContact CG1-CG1 4.29Å; L143-V151 HydrophobicContact CB-CB 4.13Å; L143-V151 HydrophobicContact CB-CG1 4.12Å; L143-V151 HydrophobicContact CB-CG2 3.85Å; L143-V151 HydrophobicContact CD1-CG1 4.1Å; S144-V151 PolarHBondContact OG-N 2.78Å; S144-V151 VanDerWaalsContact OG-N 3.15Å; C149-V151 PolarHBondContact O-N 3.05Å |
| 152 | R | 97.7 | Very high | 96.8 | Very high | 141 Ų | 141 | 71.6 Ų | 71.6 | 53% | 0.532 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 140 | 172.8 | -66.3 | -161.2 | -177.8 | 164 | -3.1 | 111.4 | V117 D118 I119 | V117-R152 PolarHBondContact O-N 2.82Å; D118-R152 WeakPolarHBondContact CA-O 3.35Å; I119-R152 PolarHBondContact N-O 2.82Å |
| 153 | L | 97.7 | Very high | 96.7 | Very high | 12 Ų | 12 | 71.7 Ų | 71.7 | 6% | 0.063 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 116.8 | -174.6 | -159.1 | 167.7 | 0 | 0 | 0 | 110.1 | M96 F100 I119 V136 S139 E140 L155 | M96-L153 HydrophobicContact CE-CD1 3.93Å; M96-L153 HydrophobicContact CE-CD2 4.41Å; M96-L153 HydrophobicContact CE-CG 4.33Å; M96-L153 HydrophobicContact SD-CD1 4.02Å; F100-L153 HydrophobicContact CE2-CD1 4.3Å; F100-L153 HydrophobicContact CZ-CD1 4.42Å; I119-L153 HydrophobicContact CB-CG 4.37Å; V136-L153 HydrophobicContact CG1-CB 4.44Å; V136-L153 HydrophobicContact CG2-CD2 4.26Å; S139-L153 WeakPolarHBondContact OG-CD1 3.37Å; E140-L153 HydrophobicContact CG-CB 3.9Å; E140-L153 PolarHBondContact OE1-N 2.98Å; L153-L155 HydrophobicContact CD2-CD1 4.2Å; L153-L155 HydrophobicContact CD2-CD2 3.17Å; L153-L155 HydrophobicContact CD2-CG 3.42Å; L153-L155 VanDerWaalsContact CD2-CG 3.42Å |
| 154 | H | 97.8 | Very high | 96.6 | Very high | 88 Ų | 88 | 77.5 Ų | 77.5 | 41% | 0.407 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 114.5 | 179.5 | -61.9 | -64.5 | 0 | 0 | 0 | 110.3 | D118 I119 C120 A121 | D118-H154 IonicContact OD1-NE2 3.97Å; I119-H154 PolarHBondContact O-N 2.9Å; C120-H154 WeakPolarHBondContact CA-O 3.29Å; A121-H154 PolarHBondContact N-O 2.8Å |
| 155 | L | 96.8 | Very high | 96.5 | Very high | 55 Ų | 55 | 79.8 Ų | 79.8 | 29% | 0.288 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 129.6 | 177.8 | -62.9 | -173.7 | 0 | 0 | 0 | 111.6 | F100 A121 V123 F132 V136 L153 | F100-L155 HydrophobicContact CE1-CD1 4.38Å; A121-L155 HydrophobicContact CB-CD2 3.89Å; A121-L155 WeakPolarHBondContact O-CA 3.47Å; V123-L155 HydrophobicContact CG2-CB 4.4Å; V123-L155 HydrophobicContact CG2-CD2 3.56Å; V123-L155 HydrophobicContact CG2-CG 4.38Å; F132-L155 HydrophobicContact CD1-CD1 4.17Å; V136-L155 HydrophobicContact CG2-CD1 3.51Å; V136-L155 HydrophobicContact CG2-CG 4.15Å; L153-L155 HydrophobicContact CD2-CD1 4.2Å; L153-L155 HydrophobicContact CD2-CD2 3.17Å; L153-L155 HydrophobicContact CD2-CG 3.42Å; L153-L155 VanDerWaalsContact CD2-CG 3.42Å |
| 156 | Q | 97 | Very high | 96.4 | Very high | 129 Ų | 129 | 80.4 Ų | 80.4 | 60% | 0.603 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 117.5 | 169.1 | -176.6 | 177.1 | 0.4 | 0 | 0 | 109.3 | A121 V122 V123 | A121-Q156 PolarHBondContact O-N 3.49Å; V122-Q156 CarbonylContact C-O 3.5Å; V122-Q156 WeakPolarHBondContact CA-O 3.47Å; V123-Q156 PolarHBondContact N-O 3.27Å |
| 157 | T | 96.3 | Very high | 96.1 | Very high | 67 Ų | 67 | 75.8 Ų | 75.8 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 136.4 | 179.6 | 71 | 0 | 0 | 0 | 0 | 112.3 | V123 R125 | V123-T157 CarbonylContact O-C 3.58Å; V123-T157 VanDerWaalsContact O-CA 3.25Å; V123-T157 WeakPolarHBondContact O-CA 3.34Å; R125-T157 PolarHBondContact NE-OG1 3.4Å |
| 158 | V | 96.8 | Very high | 96.2 | Very high | 22 Ų | 22 | 77 Ų | 77 | 13% | 0.133 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 141.9 | 177.2 | -173.9 | 0 | 0 | 0 | 0 | 108.6 | V122 V123 L124 R125 S160 V162 | V122-V158 HydrophobicContact CG1-CB 4.27Å; V122-V158 HydrophobicContact CG1-CG2 3.37Å; V123-V158 PolarHBondContact O-N 3.4Å; L124-V158 WeakPolarHBondContact CA-O 3.4Å; R125-V158 PolarHBondContact N-O 3.3Å; V158-S160 WeakPolarHBondContact CG1-O 3.46Å; V158-V162 HydrophobicContact CG1-CG2 4Å |
| 159 | P | 95.4 | Very high | 96.1 | Very high | 97 Ų | 97 | 72.2 Ų | 72.2 | 63% | 0.63 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -64.1 | -38.5 | 179.5 | 24.4 | -35.4 | 0 | 0 | 0 | 113.6 | ||
| 160 | S | 94.8 | Very high | 96.1 | Very high | 76 Ų | 76 | 75.4 Ų | 75.4 | 53% | 0.531 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -144.3 | 164.8 | -177.8 | 56.9 | 0 | 0 | 0 | 0 | 110.9 | V158 V162 | V158-S160 WeakPolarHBondContact CG1-O 3.46Å; S160-V162 PolarHBondContact O-N 2.99Å |
| 161 | K | 94.6 | Very high | 96 | Very high | 84 Ų | 84 | 76.3 Ų | 76.3 | 37% | 0.365 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 130.6 | 177.1 | -174.5 | 173.1 | -178.5 | -179.6 | 0 | 109.7 | E55 A105 V163 | E55-K161 IonicContact OE1-NZ 2.98Å; E55-K161 PolarHBondContact OE1-NZ 2.98Å; E55-K161 IonicContact OE2-NZ 3.32Å; E55-K161 PolarHBondContact OE2-NZ 2.76Å; A105-K161 VanDerWaalsContact O-CE 3.26Å; A105-K161 WeakPolarHBondContact O-CE 3.49Å; K161-V163 PolarHBondContact O-N 2.69Å |
| 162 | V | 94.9 | Very high | 95.9 | Very high | 80 Ų | 80 | 80.6 Ų | 80.6 | 49% | 0.485 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 117.1 | -177.4 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | V158 S160 | V158-V162 HydrophobicContact CG1-CG2 4Å; S160-V162 PolarHBondContact O-N 2.99Å |
| 163 | V | 96.5 | Very high | 95.8 | Very high | 59 Ų | 59 | 76.6 Ų | 76.6 | 36% | 0.358 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -95.4 | 124.9 | 179 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | P50 K161 Y166 | P50-V163 HydrophobicContact CB-CB 4.42Å; P50-V163 HydrophobicContact CB-CG1 3.75Å; P50-V163 HydrophobicContact CB-CG2 3.75Å; K161-V163 PolarHBondContact O-N 2.69Å; V163-Y166 HydrophobicContact CG1-CD2 4.3Å; V163-Y166 HydrophobicContact CG1-CE1 4.35Å; V163-Y166 HydrophobicContact CG1-CE2 3.83Å |
| 164 | Y | 96.4 | Very high | 95.7 | Very high | 124 Ų | 124 | 81.2 Ų | 81.2 | 49% | 0.486 | 41% | 0.412 | S | S | . | . | trans | -91.5 | -46.7 | 175.5 | 174.1 | -117 | 0 | 0 | 0 | 111.8 | V51 Y53 A56 | V51-Y164 PolarHBondContact O-N 2.72Å; Y53-Y164 HydrophobicContact CD2-CD1 4.17Å; Y53-Y164 AromaticContact CD2-CD2 3.82Å; Y53-Y164 HydrophobicContact CD2-CD2 3.82Å; Y53-Y164 HydrophobicContact CD2-CE1 4.18Å; Y53-Y164 AromaticContact CD2-CE2 3.83Å; Y53-Y164 HydrophobicContact CD2-CE2 3.83Å; Y53-Y164 AromaticContact CD2-CG 3.99Å; Y53-Y164 HydrophobicContact CD2-CG 3.99Å; Y53-Y164 HydrophobicContact CE2-CE2 4.22Å; A56-Y164 HydrophobicContact CB-CD1 3.76Å; A56-Y164 HydrophobicContact CB-CE1 4.32Å | ||
| 165 | K | 95.5 | Very high | 95.5 | Very high | 82 Ų | 82 | 80.7 Ų | 80.7 | 36% | 0.357 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 162.4 | 177.1 | 69.6 | -174.8 | -172.3 | -168.1 | 0 | 111.1 | V51 A56 I167 | V51-K165 PolarHBondContact N-O 2.93Å; V51-K165 PolarHBondContact O-N 2.81Å; A56-K165 HydrophobicContact CB-CD 4.31Å; A56-K165 HydrophobicContact CB-CG 4.41Å; A56-K165 PolarHBondContact O-NZ 2.8Å; K165-I167 HydrophobicContact CD-CD1 4.45Å; K165-I167 HydrophobicContact CD-CG1 4.31Å; K165-I167 HydrophobicContact CG-CD1 4.42Å; K165-I167 HydrophobicContact CG-CG1 4.05Å |
| 166 | Y | 95.6 | Very high | 95.4 | Very high | 148 Ų | 148 | 82.8 Ų | 82.8 | 58% | 0.58 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 135.7 | 171.4 | -64.9 | -94.8 | 0 | 0 | 0 | 110.2 | G47 K49 P50 V163 | G47-Y166 VanDerWaalsContact O-CB 3.25Å; G47-Y166 WeakPolarHBondContact O-CB 3.18Å; K49-Y166 WeakPolarHBondContact O-CA 3.46Å; P50-Y166 HydrophobicContact CB-CD1 4.24Å; P50-Y166 HydrophobicContact CB-CE1 3.87Å; V163-Y166 HydrophobicContact CG1-CD2 4.3Å; V163-Y166 HydrophobicContact CG1-CE1 4.35Å; V163-Y166 HydrophobicContact CG1-CE2 3.83Å |
| 167 | I | 91.1 | Very high | 95.3 | Very high | 26 Ų | 26 | 78.6 Ų | 78.6 | 13% | 0.133 | 41% | 0.406 | C | S | . | . | trans | -122.2 | 0 | -174.4 | -64.1 | -173.1 | 0 | 0 | 0 | 110.3 | V44 A45 G47 K49 V51 K165 | V44-I167 VanDerWaalsContact CA-CG2 3.46Å; V44-I167 HydrophobicContact CB-CG2 4.25Å; V44-I167 HydrophobicContact CG2-CG2 4.16Å; A45-I167 PolarHBondContact N-OXT 3.14Å; G47-I167 WeakPolarHBondContact CA-O 3.41Å; G47-I167 PolarHBondContact N-O 3.24Å; K49-I167 WeakPolarHBondContact CB-O 3.25Å; K49-I167 PolarHBondContact N-O 3.01Å; K49-I167 PolarHBondContact O-N 3.2Å; V51-I167 HydrophobicContact CB-CD1 4.15Å; V51-I167 HydrophobicContact CB-CG1 4.46Å; V51-I167 HydrophobicContact CG1-CD1 4.28Å; V51-I167 HydrophobicContact CG2-CB 4.07Å; V51-I167 HydrophobicContact CG2-CD1 3.75Å; V51-I167 HydrophobicContact CG2-CG1 3.9Å; K165-I167 HydrophobicContact CD-CD1 4.45Å; K165-I167 HydrophobicContact CD-CG1 4.31Å; K165-I167 HydrophobicContact CG-CD1 4.42Å; K165-I167 HydrophobicContact CG-CG1 4.05Å |
Retrieved 167 of 167 residues in 46.7 ms
(Link to these results)