| 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 | 35.9 | Very low | 35.8 | Very low | 245 Ų | 245 | 139.3 Ų | 139.3 | 100% | 1.207 | 82% | 0.815 | S | S | * | * | 0 | 156.3 | 0 | -92.3 | 149.5 | 59.4 | 0 | 0 | 109.1 | |||||
| 2 | W | 28.4 | Very low | 35.9 | Very low | 247 Ų | 247 | 141.6 Ų | 141.6 | 94% | 0.936 | 82% | 0.819 | S | S | * | * | trans | -82.8 | 152.8 | -163.7 | -78.4 | 22.8 | 0 | 0 | 0 | 115.2 | ||||
| 3 | S | 30.7 | Very low | 35.8 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | 61.8 | 150.9 | 143.2 | -128.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 4 | A | 38.4 | Very low | 36.3 | Very low | 85 Ų | 85 | 147 Ų | 147 | 70% | 0.702 | 82% | 0.818 | S | S | * | * | cis | -146.7 | -178.4 | 4.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 5 | S | 34.9 | Very low | 36.7 | Very low | 115 Ų | 115 | 147.5 Ų | 147.5 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | cis | -154.2 | 173.3 | 3.2 | -158.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 6 | T | 44 | Very low | 36.8 | Very low | 126 Ų | 126 | 147.9 Ų | 147.9 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -100.6 | 139.1 | 171 | -54.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 7 | V | 44.8 | Very low | 37.1 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -140.2 | 99.2 | 156 | -176.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 8 | C | 32.2 | Very low | 37.4 | Very low | 100 Ų | 100 | 143.7 Ų | 143.7 | 68% | 0.676 | 80% | 0.804 | S | S | * | * | 60.7 | 88.3 | 86.9 | -147.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 9 | S | 39 | Very low | 37.8 | Very low | 101 Ų | 101 | 143.5 Ų | 143.5 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | 59.8 | 107.7 | 87 | -168.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 10 | L | 33.5 | Very low | 38.2 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | trans | -178.7 | 135.2 | 131.2 | -97 | 156 | 0 | 0 | 0 | 111.1 | ||||
| 11 | C | 32.6 | Very low | 38.3 | Very low | 106 Ų | 106 | 148.8 Ų | 148.8 | 72% | 0.716 | 81% | 0.811 | S | S | * | * | trans | 19 | 136.9 | 151.2 | -57.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 12 | I | 36.5 | Very low | 38.7 | Very low | 167 Ų | 167 | 141.3 Ų | 141.3 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | -159.7 | 155.7 | 89.3 | -91.6 | 152.9 | 0 | 0 | 0 | 109 | |||||
| 13 | K | 35.1 | Very low | 39 | Very low | 163 Ų | 163 | 133.3 Ų | 133.3 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | trans | -64 | 148.5 | -171.3 | -63.9 | 165.3 | 180 | 171.4 | 0 | 112.7 | E15 | K13-E15 HydrophobicContact CB-CG 4.12Å; K13-E15 PolarHBondContact O-N 2.98Å | ||
| 14 | E | 42.5 | Very low | 39.6 | Very low | 196 Ų | 196 | 131.3 Ų | 131.3 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | -68 | 108 | 153.3 | -162.4 | 158.2 | -149.7 | 0 | 0 | 106.7 | ||||
| 15 | E | 41.3 | Very low | 39.6 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | -107.2 | 113.7 | 175.4 | -79.5 | -175 | 170.8 | 0 | 0 | 109.1 | K13 S17 | K13-E15 HydrophobicContact CB-CG 4.12Å; K13-E15 PolarHBondContact O-N 2.98Å; E15-S17 PolarHBondContact O-N 2.64Å | ||
| 16 | D | 39.4 | Very low | 39.8 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 117.7 | 175.5 | -67.4 | -56.6 | 0 | 0 | 0 | 110.7 | P18 | D16-P18 WeakPolarHBondContact O-CD 3.44Š|
| 17 | S | 41.3 | Very low | 40 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 120.9 | 170.5 | 60.3 | 0 | 0 | 0 | 0 | 109.6 | E15 V19 | E15-S17 PolarHBondContact O-N 2.64Å; S17-V19 PolarHBondContact O-N 2.71Å |
| 18 | P | 43.3 | Very low | 40 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 129 | -177.5 | 26.3 | -33.7 | 0 | 0 | 0 | 111.2 | D16 Y20 | D16-P18 WeakPolarHBondContact O-CD 3.44Å; P18-Y20 PolarHBondContact O-N 2.69Å; P18-Y20 VanDerWaalsContact O-N 3.17Å |
| 19 | V | 45.1 | Very low | 40.9 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | trans | -61.8 | 113.5 | 166.7 | 176.4 | 0 | 0 | 0 | 0 | 108.1 | S17 | S17-V19 PolarHBondContact O-N 2.71Š| ||
| 20 | Y | 45.2 | Very low | 41.4 | Very low | 217 Ų | 217 | 139.2 Ų | 139.2 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -91 | 119.1 | 169.2 | 58.8 | -89.9 | 0 | 0 | 0 | 109.6 | P18 | P18-Y20 PolarHBondContact O-N 2.69Å; P18-Y20 VanDerWaalsContact O-N 3.17Å | ||
| 21 | E | 40.4 | Very low | 42.3 | Very low | 182 Ų | 182 | 137 Ų | 137 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -65.2 | 151.4 | 176.1 | -66.4 | -174 | 129.5 | 0 | 0 | 111.5 | G23 | E21-G23 PolarHBondContact O-N 2.72Š| ||
| 22 | G | 44.5 | Very low | 43.5 | Very low | 88 Ų | 88 | 141.8 Ų | 141.8 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | trans | -71.1 | 115.1 | -172 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 23 | G | 33.4 | Very low | 44.9 | Very low | 79 Ų | 79 | 139.6 Ų | 139.6 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | -108.5 | 115.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | E21 | E21-G23 PolarHBondContact O-N 2.72Š| ||
| 24 | G | 44.1 | Very low | 46.5 | Very low | 73 Ų | 73 | 141 Ų | 141 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | trans | -88.1 | 141.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 25 | L | 39.4 | Very low | 48.2 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 95% | 0.953 | 81% | 0.814 | S | S | * | * | trans | -156.6 | 142 | 161.8 | -142.1 | 81.6 | 0 | 0 | 0 | 113 | ||||
| 26 | G | 38.6 | Very low | 50 | Low | 69 Ų | 69 | 139 Ų | 139 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | 68.3 | 95.6 | 147.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | M28 | G26-M28 PolarHBondContact O-N 2.69Š| ||
| 27 | K | 48.3 | Very low | 51.9 | Low | 216 Ų | 216 | 138.9 Ų | 138.9 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | trans | -73.7 | 102.8 | 159.3 | -73.8 | -171.5 | 178.5 | -178.9 | 0 | 110.8 | ||||
| 28 | M | 44.2 | Very low | 53.7 | Low | 188 Ų | 188 | 137.6 Ų | 137.6 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | trans | -85.6 | 117 | 160.2 | -78.3 | -70.3 | -139.1 | 0 | 0 | 109.5 | G26 G30 | G26-M28 PolarHBondContact O-N 2.69Å; M28-G30 PolarHBondContact O-N 3.26Å; M28-G30 VanDerWaalsContact O-N 3.07Å | ||
| 29 | A | 50.9 | Low | 55.6 | Low | 107 Ų | 107 | 135.5 Ų | 135.5 | 88% | 0.884 | 79% | 0.791 | S | S | * | * | trans | -79.4 | 88.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 30 | G | 49.8 | Very low | 57.1 | Low | 66 Ų | 66 | 135.7 Ų | 135.7 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | -58.1 | 144.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | M28 K32 | M28-G30 PolarHBondContact O-N 3.26Å; M28-G30 VanDerWaalsContact O-N 3.07Å; G30-K32 PolarHBondContact O-N 3.28Å | ||
| 31 | S | 51.6 | Low | 59 | Low | 111 Ų | 111 | 129.3 Ų | 129.3 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -56 | 129 | 174.8 | 47.9 | 0 | 0 | 0 | 0 | 110 | V33 | S31-V33 VanDerWaalsContact C-N 3.26Å; S31-V33 PolarHBondContact O-N 3.38Å | ||
| 32 | K | 58.4 | Low | 61.1 | Low | 205 Ų | 205 | 122.7 Ų | 122.7 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | trans | -77.8 | 75.8 | -171.2 | -163.2 | 176 | -173.6 | 178.1 | 0 | 111 | G30 K34 | G30-K32 PolarHBondContact O-N 3.28Å; K32-K34 PolarHBondContact O-N 3.49Å | ||
| 33 | V | 65.3 | Low | 63 | Low | 121 Ų | 121 | 127.7 Ų | 127.7 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | -57.4 | 112.2 | 166.5 | 178.1 | 0 | 0 | 0 | 0 | 107.2 | S31 Q35 | S31-V33 VanDerWaalsContact C-N 3.26Å; S31-V33 PolarHBondContact O-N 3.38Å; V33-Q35 PolarHBondContact O-N 3.48Å | ||
| 34 | K | 69.4 | Low | 65.5 | Low | 192 Ų | 192 | 129.3 Ų | 129.3 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | -77.8 | 80.5 | 174.1 | -170 | 179.4 | 178.5 | -173.1 | 0 | 107.8 | K32 | K32-K34 PolarHBondContact O-N 3.49Š| ||
| 35 | Q | 78.4 | Confident | 67.5 | Low | 151 Ų | 151 | 130.7 Ų | 130.7 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -65.3 | 136.7 | 174.4 | -169.4 | 169 | 9.7 | 0 | 0 | 109.2 | V33 M37 | V33-Q35 PolarHBondContact O-N 3.48Å; Q35-M37 WeakPolarHBondContact O-CG 3.37Å; Q35-M37 PolarHBondContact O-N 3.34Å; Q35-M37 VanDerWaalsContact O-N 3.08Å | ||
| 36 | D | 78.4 | Confident | 69.7 | Low | 158 Ų | 158 | 130.2 Ų | 130.2 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | -73.2 | 103.8 | 175.1 | -72.1 | -40.1 | 0 | 0 | 0 | 109.4 | ||||
| 37 | M | 79.8 | Confident | 71.9 | Confident | 152 Ų | 152 | 133.3 Ų | 133.3 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 146.6 | 179.2 | -54.8 | 145 | 104.2 | 0 | 0 | 108.7 | Q35 | Q35-M37 WeakPolarHBondContact O-CG 3.37Å; Q35-M37 PolarHBondContact O-N 3.34Å; Q35-M37 VanDerWaalsContact O-N 3.08Å |
| 38 | P | 80.3 | Confident | 73.6 | Confident | 80 Ų | 80 | 131.8 Ų | 131.8 | 52% | 0.519 | 75% | 0.753 | S | S | . | * | P | Polyproline II helix | trans | -57 | 145.3 | 158.3 | 28.4 | -33.8 | 0 | 0 | 0 | 108.9 | Y43 | P38-Y43 HydrophobicContact CB-CE2 3.9Š|
| 39 | P | 83.3 | Confident | 75.7 | Confident | 69 Ų | 69 | 129.3 Ų | 129.3 | 45% | 0.448 | 74% | 0.737 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 148.3 | 179.9 | 25.3 | -34.4 | 0 | 0 | 0 | 110.7 | G41 G42 | P39-G41 PolarHBondContact O-N 3.33Å; P39-G42 PolarHBondContact O-N 3.25Å |
| 40 | P | 76.3 | Confident | 77.5 | Confident | 143 Ų | 143 | 134.5 Ų | 134.5 | 93% | 0.929 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 97.7 | 176.9 | 27 | -33.8 | 0 | 0 | 0 | 109.7 | ||
| 41 | G | 83.4 | Confident | 79.1 | Confident | 84 Ų | 84 | 137.5 Ų | 137.5 | 87% | 0.866 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 140.4 | -18.1 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114 | P39 | P39-G41 PolarHBondContact O-N 3.33Š|
| 42 | G | 85 | Confident | 80.7 | Confident | 42 Ų | 42 | 137.8 Ų | 137.8 | 43% | 0.433 | 73% | 0.726 | S | S | . | * | trans | 78.6 | -178.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P39 | P39-G42 PolarHBondContact O-N 3.25Š| ||
| 43 | Y | 85.3 | Confident | 82 | Confident | 193 Ų | 193 | 131.5 Ų | 131.5 | 76% | 0.757 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 155.2 | 173.1 | -64.9 | -71 | 0 | 0 | 0 | 110.9 | P38 | P38-Y43 HydrophobicContact CB-CE2 3.9Š|
| 44 | S | 85.7 | Confident | 82.6 | Confident | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 144.4 | 176 | 54 | 0 | 0 | 0 | 0 | 111.5 | F46 | S44-F46 PolarHBondContact O-N 3.06Š|
| 45 | A | 85.9 | Confident | 83.1 | Confident | 103 Ų | 103 | 137.4 Ų | 137.4 | 85% | 0.851 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 130.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 46 | F | 84.6 | Confident | 83.5 | Confident | 172 Ų | 172 | 133.8 Ų | 133.8 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 127 | 179.1 | -179.2 | -96.5 | 0 | 0 | 0 | 110.3 | S44 Y48 | S44-F46 PolarHBondContact O-N 3.06Å; F46-Y48 VanDerWaalsContact C-N 3.31Å; F46-Y48 PolarHBondContact O-N 3.21Å |
| 47 | D | 84.9 | Confident | 83.7 | Confident | 134 Ų | 134 | 131.8 Ų | 131.8 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | trans | -73.6 | 82.4 | 178.1 | -79.7 | -33.9 | 0 | 0 | 0 | 111.4 | K49 | D47-K49 PolarHBondContact O-N 3.25Š| ||
| 48 | Y | 85 | Confident | 84.2 | Confident | 183 Ų | 183 | 128 Ų | 128 | 72% | 0.718 | 70% | 0.697 | S | S | * | * | trans | -69.9 | -6.4 | 175 | 71.3 | -84.4 | 0 | 0 | 0 | 113.9 | F46 | F46-Y48 VanDerWaalsContact C-N 3.31Å; F46-Y48 PolarHBondContact O-N 3.21Å | ||
| 49 | K | 88.3 | Confident | 84.7 | Confident | 137 Ų | 137 | 126.1 Ų | 126.1 | 60% | 0.596 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -92.2 | 133.1 | -176.9 | -66.7 | -179.7 | -176 | 172.9 | 0 | 111.2 | D47 N51 | D47-K49 PolarHBondContact O-N 3.25Å; K49-N51 PolarHBondContact O-N 3.43Å |
| 50 | R | 87.8 | Confident | 85.2 | Confident | 215 Ų | 215 | 132.4 Ų | 132.4 | 81% | 0.811 | 71% | 0.708 | S | S | * | * | trans | -65 | 105.4 | 178 | -176.9 | 174.7 | -175 | -170.9 | 1.4 | 111.7 | L52 | R50-L52 HydrophobicContact CG-CD1 3.79Å; R50-L52 PolarHBondContact O-N 3.43Å | ||
| 51 | N | 83.9 | Confident | 86 | Confident | 130 Ų | 130 | 127.8 Ų | 127.8 | 70% | 0.695 | 68% | 0.679 | S | S | * | * | trans | -94.9 | 65.9 | -176.5 | 58.6 | -4.8 | 0 | 0 | 0 | 113 | K49 P53 | K49-N51 PolarHBondContact O-N 3.43Å; N51-P53 WeakPolarHBondContact O-CD 3.31Å | ||
| 52 | L | 86.2 | Confident | 86.4 | Confident | 117 Ų | 117 | 129.6 Ų | 129.6 | 61% | 0.613 | 67% | 0.666 | S | S | * | * | trans | -81.9 | 112.3 | 175.6 | -105.4 | 63.9 | 0 | 0 | 0 | 111.9 | R50 | R50-L52 HydrophobicContact CG-CD1 3.79Å; R50-L52 PolarHBondContact O-N 3.43Å | ||
| 53 | P | 85.2 | Confident | 86.8 | Confident | 73 Ų | 73 | 134.5 Ų | 134.5 | 47% | 0.474 | 68% | 0.676 | S | S | . | * | trans | -71.9 | 134.4 | 172.6 | 29.9 | -33.6 | 0 | 0 | 0 | 110.1 | N51 R55 | N51-P53 WeakPolarHBondContact O-CD 3.31Å; P53-R55 VanDerWaalsContact C-N 3.27Å; P53-R55 HydrophobicContact CB-CG 4.22Å; P53-R55 HydrophobicContact CG-CG 4.12Å; P53-R55 VanDerWaalsContact CG-CZ 3.42Å; P53-R55 PolarHBondContact O-N 3.4Å | ||
| 54 | K | 77.3 | Confident | 87.4 | Confident | 217 Ų | 217 | 127.6 Ų | 127.6 | 94% | 0.943 | 66% | 0.663 | S | S | * | * | trans | -71.3 | 82.7 | 172.1 | -66 | -177.7 | -179.5 | 179.5 | 0 | 109.5 | ||||
| 55 | R | 81.1 | Confident | 87.9 | Confident | 220 Ų | 220 | 126.6 Ų | 126.6 | 83% | 0.83 | 65% | 0.648 | S | S | * | * | trans | -89.2 | 136.3 | 176.1 | -67.9 | -179.6 | 174.1 | 126.5 | -1.2 | 110.2 | P53 | P53-R55 VanDerWaalsContact C-N 3.27Å; P53-R55 HydrophobicContact CB-CG 4.22Å; P53-R55 HydrophobicContact CG-CG 4.12Å; P53-R55 VanDerWaalsContact CG-CZ 3.42Å; P53-R55 PolarHBondContact O-N 3.4Å | ||
| 56 | G | 85.4 | Confident | 88.4 | Confident | 75 Ų | 75 | 123.3 Ų | 123.3 | 77% | 0.773 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 132.2 | 167.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 57 | L | 83.8 | Confident | 88.9 | Confident | 116 Ų | 116 | 120.6 Ų | 120.6 | 61% | 0.607 | 62% | 0.616 | S | S | * | * | trans | -75.7 | 151.9 | 169.7 | -66.9 | 172.9 | 0 | 0 | 0 | 109.9 | M62 I65 | L57-M62 HydrophobicContact CB-CG 4.06Å; L57-I65 HydrophobicContact CD1-CD1 3.94Å | ||
| 58 | S | 90.1 | Very high | 89.5 | Confident | 73 Ų | 73 | 115.8 Ų | 115.8 | 51% | 0.51 | 60% | 0.598 | S | S | . | * | trans | -63.2 | 147.7 | 171.5 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | Y60 S61 M62 | S58-Y60 PolarHBondContact O-N 3.33Å; S58-S61 WeakPolarHBondContact CA-OG 3.17Å; S58-S61 WeakPolarHBondContact CB-OG 3.11Å; S58-S61 PolarHBondContact N-OG 3.34Å; S58-S61 PolarHBondContact O-N 3.09Å; S58-S61 PolarHBondContact O-OG 3.44Å; S58-M62 PolarHBondContact O-N 3.11Å | ||
| 59 | G | 90.3 | Very high | 90.1 | Very high | 39 Ų | 39 | 112.3 Ų | 112.3 | 40% | 0.402 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -54.1 | -41.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S61 M62 F63 | G59-S61 PolarHBondContact O-N 2.87Å; G59-M62 WeakPolarHBondContact O-CB 3.42Å; G59-M62 PolarHBondContact O-N 3.12Å; G59-F63 WeakPolarHBondContact O-CD2 3.32Å; G59-F63 PolarHBondContact O-N 3.45Å |
| 60 | Y | 93.6 | Very high | 90.5 | Very high | 202 Ų | 202 | 111.3 Ų | 111.3 | 79% | 0.792 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.9 | -39.5 | 175 | -62.9 | -65.5 | 0 | 0 | 0 | 113.1 | S58 F63 G64 | S58-Y60 PolarHBondContact O-N 3.33Å; Y60-F63 PolarHBondContact O-N 3.18Å; Y60-G64 PolarHBondContact O-N 3.39Å |
| 61 | S | 92.4 | Very high | 91 | Very high | 46 Ų | 46 | 103.9 Ų | 103.9 | 32% | 0.322 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.9 | -32 | 174.8 | 42.8 | 0 | 0 | 0 | 0 | 112.8 | S58 G59 G64 I65 | S58-S61 WeakPolarHBondContact CA-OG 3.17Å; S58-S61 WeakPolarHBondContact CB-OG 3.11Å; S58-S61 PolarHBondContact N-OG 3.34Å; S58-S61 PolarHBondContact O-N 3.09Å; S58-S61 PolarHBondContact O-OG 3.44Å; G59-S61 PolarHBondContact O-N 2.87Å; S61-G64 PolarHBondContact O-N 3.09Å; S61-I65 VanDerWaalsContact O-CG1 3.32Å; S61-I65 WeakPolarHBondContact O-CG1 3.32Å; S61-I65 PolarHBondContact O-N 2.86Å; S61-I65 VanDerWaalsContact O-N 3.07Å |
| 62 | M | 92.5 | Very high | 91.6 | Very high | 121 Ų | 121 | 103.2 Ų | 103.2 | 60% | 0.596 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66 | -44.2 | 172.6 | -65.6 | 178.9 | 64.1 | 0 | 0 | 111.5 | L57 S58 G59 I65 G66 | L57-M62 HydrophobicContact CB-CG 4.06Å; S58-M62 PolarHBondContact O-N 3.11Å; G59-M62 WeakPolarHBondContact O-CB 3.42Å; G59-M62 PolarHBondContact O-N 3.12Å; M62-I65 PolarHBondContact O-N 3.09Å; M62-G66 PolarHBondContact O-N 3.23Å |
| 63 | F | 94.6 | Very high | 92.2 | Very high | 146 Ų | 146 | 99.1 Ų | 99.1 | 64% | 0.64 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.7 | -40.8 | 174.1 | -74 | -63.4 | 0 | 0 | 0 | 112.5 | G59 Y60 I65 G66 I67 | G59-F63 WeakPolarHBondContact O-CD2 3.32Å; G59-F63 PolarHBondContact O-N 3.45Å; Y60-F63 PolarHBondContact O-N 3.18Å; F63-I65 PolarHBondContact O-N 3.07Å; F63-G66 PolarHBondContact O-N 3.46Å; F63-I67 WeakPolarHBondContact O-CB 3.42Å; F63-I67 VanDerWaalsContact O-CG1 3.29Å; F63-I67 WeakPolarHBondContact O-CG1 3.45Å; F63-I67 PolarHBondContact O-N 3.27Å |
| 64 | G | 96.1 | Very high | 92.8 | Very high | 47 Ų | 47 | 102.3 Ų | 102.3 | 49% | 0.485 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -58.6 | -45.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y60 S61 G68 | Y60-G64 PolarHBondContact O-N 3.39Å; S61-G64 PolarHBondContact O-N 3.09Å; G64-G68 PolarHBondContact O-N 2.96Å |
| 65 | I | 96.1 | Very high | 93.7 | Very high | 92 Ų | 92 | 100.2 Ų | 100.2 | 47% | 0.472 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.6 | -46 | 175.5 | -66.9 | 165.2 | 0 | 0 | 0 | 110.8 | L57 S61 M62 F63 I67 G68 I69 | L57-I65 HydrophobicContact CD1-CD1 3.94Å; S61-I65 VanDerWaalsContact O-CG1 3.32Å; S61-I65 WeakPolarHBondContact O-CG1 3.32Å; S61-I65 PolarHBondContact O-N 2.86Å; S61-I65 VanDerWaalsContact O-N 3.07Å; M62-I65 PolarHBondContact O-N 3.09Å; F63-I65 PolarHBondContact O-N 3.07Å; I65-I67 PolarHBondContact O-N 3.44Å; I65-G68 PolarHBondContact O-N 2.95Å; I65-I69 HydrophobicContact CG2-CD1 3.8Å; I65-I69 HydrophobicContact CG2-CG1 4.47Å; I65-I69 WeakPolarHBondContact O-CG1 3.15Å; I65-I69 PolarHBondContact O-N 2.96Å |
| 66 | G | 96.4 | Very high | 94.5 | Very high | 34 Ų | 34 | 97.9 Ų | 97.9 | 35% | 0.351 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | M62 F63 I69 M70 | M62-G66 PolarHBondContact O-N 3.23Å; F63-G66 PolarHBondContact O-N 3.46Å; G66-I69 PolarHBondContact O-N 3.26Å; G66-M70 WeakPolarHBondContact O-CB 3.38Å; G66-M70 VanDerWaalsContact O-CG 3.25Å; G66-M70 WeakPolarHBondContact O-CG 3.32Å; G66-M70 PolarHBondContact O-N 3.41Å |
| 67 | I | 97.1 | Very high | 95.1 | Very high | 116 Ų | 116 | 98.5 Ų | 98.5 | 60% | 0.595 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.1 | -40.8 | 177.1 | -66.9 | 166.7 | 0 | 0 | 0 | 110.8 | F63 I65 M70 A71 | F63-I67 WeakPolarHBondContact O-CB 3.42Å; F63-I67 VanDerWaalsContact O-CG1 3.29Å; F63-I67 WeakPolarHBondContact O-CG1 3.45Å; F63-I67 PolarHBondContact O-N 3.27Å; I65-I67 PolarHBondContact O-N 3.44Å; I67-M70 PolarHBondContact O-N 2.97Å; I67-A71 WeakPolarHBondContact O-CB 3.38Å; I67-A71 PolarHBondContact O-N 3.49Å |
| 68 | G | 97.1 | Very high | 95.7 | Very high | 32 Ų | 32 | 99.3 Ų | 99.3 | 33% | 0.33 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | G64 I65 A71 I72 | G64-G68 PolarHBondContact O-N 2.96Å; I65-G68 PolarHBondContact O-N 2.95Å; G68-A71 PolarHBondContact O-N 3.14Å; G68-I72 WeakPolarHBondContact O-CG1 3.18Å; G68-I72 PolarHBondContact O-N 3.44Å; G68-I72 VanDerWaalsContact O-N 3.15Å |
| 69 | I | 97.2 | Very high | 96 | Very high | 111 Ų | 111 | 98 Ų | 98 | 57% | 0.569 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.4 | -44.2 | 176.6 | -67.1 | 169 | 0 | 0 | 0 | 110.7 | I65 G66 I72 G73 | I65-I69 HydrophobicContact CG2-CD1 3.8Å; I65-I69 HydrophobicContact CG2-CG1 4.47Å; I65-I69 WeakPolarHBondContact O-CG1 3.15Å; I65-I69 PolarHBondContact O-N 2.96Å; G66-I69 PolarHBondContact O-N 3.26Å; I69-I72 PolarHBondContact O-N 3.03Å; I69-G73 PolarHBondContact O-N 2.95Å |
| 70 | M | 97 | Very high | 96.4 | Very high | 116 Ų | 116 | 103.4 Ų | 103.4 | 57% | 0.571 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 179.3 | -69.7 | -63.9 | 161.1 | 0 | 0 | 112.2 | G66 I67 I72 G73 Y74 | G66-M70 WeakPolarHBondContact O-CB 3.38Å; G66-M70 VanDerWaalsContact O-CG 3.25Å; G66-M70 WeakPolarHBondContact O-CG 3.32Å; G66-M70 PolarHBondContact O-N 3.41Å; I67-M70 PolarHBondContact O-N 2.97Å; M70-I72 PolarHBondContact O-N 2.94Å; M70-G73 PolarHBondContact O-N 3.5Å; M70-Y74 HydrophobicContact CB-CD2 4.41Å; M70-Y74 HydrophobicContact CB-CE2 4.25Å; M70-Y74 WeakPolarHBondContact O-CD2 3.44Å; M70-Y74 PolarHBondContact O-N 3.37Å |
| 71 | A | 97.3 | Very high | 96.6 | Very high | 58 Ų | 58 | 96.1 Ų | 96.1 | 48% | 0.479 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.7 | -43.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I67 G68 W75 | I67-A71 WeakPolarHBondContact O-CB 3.38Å; I67-A71 PolarHBondContact O-N 3.49Å; G68-A71 PolarHBondContact O-N 3.14Å; A71-W75 WeakPolarHBondContact O-CB 3.39Å; A71-W75 PolarHBondContact O-N 3.26Å |
| 72 | I | 97.6 | Very high | 96.8 | Very high | 116 Ų | 116 | 101.5 Ų | 101.5 | 60% | 0.595 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.4 | -43.6 | 175.4 | -65.7 | 167 | 0 | 0 | 0 | 110.7 | G68 I69 M70 W75 R76 | G68-I72 WeakPolarHBondContact O-CG1 3.18Å; G68-I72 PolarHBondContact O-N 3.44Å; G68-I72 VanDerWaalsContact O-N 3.15Å; I69-I72 PolarHBondContact O-N 3.03Å; M70-I72 PolarHBondContact O-N 2.94Å; I72-W75 PolarHBondContact O-N 3.15Å; I72-R76 WeakPolarHBondContact O-CB 3.3Å; I72-R76 PolarHBondContact O-N 3.4Å |
| 73 | G | 97.8 | Very high | 97.1 | Very high | 31 Ų | 31 | 99.1 Ų | 99.1 | 32% | 0.32 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.7 | -49.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I69 M70 R76 I77 | I69-G73 PolarHBondContact O-N 2.95Å; M70-G73 PolarHBondContact O-N 3.5Å; G73-R76 PolarHBondContact O-N 2.97Å; G73-I77 VanDerWaalsContact O-CG1 3.3Å; G73-I77 WeakPolarHBondContact O-CG1 3.44Å; G73-I77 PolarHBondContact O-N 3.26Å |
| 74 | Y | 97.6 | Very high | 97.2 | Very high | 141 Ų | 141 | 98.9 Ų | 98.9 | 55% | 0.553 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.5 | -47.1 | 174.9 | -75.2 | -59.6 | 0 | 0 | 0 | 111.9 | M70 R76 I77 F78 | M70-Y74 HydrophobicContact CB-CD2 4.41Å; M70-Y74 HydrophobicContact CB-CE2 4.25Å; M70-Y74 WeakPolarHBondContact O-CD2 3.44Å; M70-Y74 PolarHBondContact O-N 3.37Å; Y74-R76 VanDerWaalsContact C-N 3.3Å; Y74-R76 PolarHBondContact O-N 3.36Å; Y74-I77 PolarHBondContact O-N 2.92Å; Y74-I77 VanDerWaalsContact O-N 3.17Å; Y74-F78 WeakPolarHBondContact O-CD2 3.27Å; Y74-F78 PolarHBondContact O-N 3.18Å |
| 75 | W | 97.1 | Very high | 97.3 | Very high | 172 Ų | 172 | 104 Ų | 104 | 65% | 0.652 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -57.7 | -41.4 | 177.5 | 177 | 79.9 | 0 | 0 | 0 | 112.6 | A71 I72 S79 | A71-W75 WeakPolarHBondContact O-CB 3.39Å; A71-W75 PolarHBondContact O-N 3.26Å; I72-W75 PolarHBondContact O-N 3.15Å; W75-S79 WeakPolarHBondContact O-CB 3.28Å; W75-S79 PolarHBondContact O-N 2.76Å; W75-S79 PolarHBondContact O-OG 3.25Å |
| 76 | R | 97.3 | Very high | 97.4 | Very high | 171 Ų | 171 | 107.2 Ų | 107.2 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.8 | -44.1 | 175.2 | -167.6 | 67.6 | 175.7 | 179 | 0.6 | 111.8 | I72 G73 Y74 S79 W80 | I72-R76 WeakPolarHBondContact O-CB 3.3Å; I72-R76 PolarHBondContact O-N 3.4Å; G73-R76 PolarHBondContact O-N 2.97Å; Y74-R76 VanDerWaalsContact C-N 3.3Å; Y74-R76 PolarHBondContact O-N 3.36Å; R76-S79 PolarHBondContact O-N 2.84Å; R76-W80 WeakPolarHBondContact O-CB 3.46Å; R76-W80 PolarHBondContact O-N 2.9Å |
| 77 | I | 97.8 | Very high | 97.5 | Very high | 89 Ų | 89 | 110 Ų | 110 | 46% | 0.456 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 176.8 | -70.8 | 166.5 | 0 | 0 | 0 | 111.4 | G73 Y74 S79 W80 N81 | G73-I77 VanDerWaalsContact O-CG1 3.3Å; G73-I77 WeakPolarHBondContact O-CG1 3.44Å; G73-I77 PolarHBondContact O-N 3.26Å; Y74-I77 PolarHBondContact O-N 2.92Å; Y74-I77 VanDerWaalsContact O-N 3.17Å; I77-S79 VanDerWaalsContact C-N 3.31Å; I77-S79 PolarHBondContact O-N 3.42Å; I77-W80 PolarHBondContact O-N 3.26Å; I77-N81 WeakPolarHBondContact CG2-ND2 3.34Å; I77-N81 VanDerWaalsContact O-CB 3.27Å; I77-N81 WeakPolarHBondContact O-CB 3.49Å; I77-N81 PolarHBondContact O-N 3.38Å; I77-N81 PolarHBondContact O-ND2 3.22Å |
| 78 | F | 97.2 | Very high | 97.6 | Very high | 132 Ų | 132 | 109 Ų | 109 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.3 | -40.8 | 176 | -81.5 | -63.2 | 0 | 0 | 0 | 112 | Y74 R82 | Y74-F78 WeakPolarHBondContact O-CD2 3.27Å; Y74-F78 PolarHBondContact O-N 3.18Å; F78-R82 WeakPolarHBondContact O-CG 3.24Å; F78-R82 PolarHBondContact O-N 2.98Å |
| 79 | S | 96.1 | Very high | 97.7 | Very high | 45 Ų | 45 | 111.5 Ų | 111.5 | 32% | 0.315 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -46.7 | 176.3 | -55.7 | 0 | 0 | 0 | 0 | 111 | W75 R76 I77 N81 R82 E83 | W75-S79 WeakPolarHBondContact O-CB 3.28Å; W75-S79 PolarHBondContact O-N 2.76Å; W75-S79 PolarHBondContact O-OG 3.25Å; R76-S79 PolarHBondContact O-N 2.84Å; I77-S79 VanDerWaalsContact C-N 3.31Å; I77-S79 PolarHBondContact O-N 3.42Å; S79-N81 PolarHBondContact O-N 2.97Å; S79-R82 WeakPolarHBondContact O-CB 3.46Å; S79-R82 PolarHBondContact O-N 3.25Å; S79-R82 VanDerWaalsContact O-N 3.15Å; S79-E83 PolarHBondContact O-N 2.89Å |
| 80 | W | 98 | Very high | 97.7 | Very high | 153 Ų | 153 | 112.3 Ų | 112.3 | 58% | 0.58 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.1 | -37.9 | 177 | -170.8 | -117.1 | 0 | 0 | 0 | 113.1 | R76 I77 R82 E83 R84 | R76-W80 WeakPolarHBondContact O-CB 3.46Å; R76-W80 PolarHBondContact O-N 2.9Å; I77-W80 PolarHBondContact O-N 3.26Å; W80-R82 PolarHBondContact O-N 3.24Å; W80-E83 HydrophobicContact CE3-CB 4.49Å; W80-E83 PolarHBondContact O-N 2.89Å; W80-E83 VanDerWaalsContact O-N 3.13Å; W80-R84 HydrophobicContact CD2-CG 4.5Å; W80-R84 HydrophobicContact CG-CG 4.5Å; W80-R84 WeakPolarHBondContact O-CG 3.45Å; W80-R84 PolarHBondContact O-N 3.42Å |
| 81 | N | 98.1 | Very high | 97.8 | Very high | 50 Ų | 50 | 112.2 Ų | 112.2 | 27% | 0.267 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.5 | -16 | 176 | -72.9 | -13.8 | 0 | 0 | 0 | 113.5 | I77 S79 R84 R85 | I77-N81 WeakPolarHBondContact CG2-ND2 3.34Å; I77-N81 VanDerWaalsContact O-CB 3.27Å; I77-N81 WeakPolarHBondContact O-CB 3.49Å; I77-N81 PolarHBondContact O-N 3.38Å; I77-N81 PolarHBondContact O-ND2 3.22Å; S79-N81 PolarHBondContact O-N 2.97Å; N81-R84 PolarHBondContact OD1-NE 2.98Å; N81-R84 PolarHBondContact OD1-NH2 3.49Å; N81-R85 WeakPolarHBondContact O-CG 3.32Å; N81-R85 PolarHBondContact O-NE 2.99Å |
| 82 | R | 97.5 | Very high | 97.8 | Very high | 158 Ų | 158 | 113.4 Ų | 113.4 | 60% | 0.596 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -77 | -43.3 | 166 | -69.8 | 166.4 | -177.3 | -167.4 | -0.6 | 109.9 | F78 S79 W80 R85 R86 | F78-R82 WeakPolarHBondContact O-CG 3.24Å; F78-R82 PolarHBondContact O-N 2.98Å; S79-R82 WeakPolarHBondContact O-CB 3.46Å; S79-R82 PolarHBondContact O-N 3.25Å; S79-R82 VanDerWaalsContact O-N 3.15Å; W80-R82 PolarHBondContact O-N 3.24Å; R82-R85 PolarHBondContact O-N 3.42Å; R82-R86 PolarHBondContact O-N 2.84Å |
| 83 | E | 97.6 | Very high | 97.9 | Very high | 72 Ų | 72 | 113.8 Ų | 113.8 | 34% | 0.336 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.7 | -46.6 | 179.7 | -155.4 | 57.6 | -151.2 | 0 | 0 | 113 | S79 W80 R85 R86 L87 | S79-E83 PolarHBondContact O-N 2.89Å; W80-E83 HydrophobicContact CE3-CB 4.49Å; W80-E83 PolarHBondContact O-N 2.89Å; W80-E83 VanDerWaalsContact O-N 3.13Å; E83-R85 PolarHBondContact O-N 3.32Å; E83-R85 VanDerWaalsContact O-N 3.12Å; E83-R86 WeakPolarHBondContact O-CB 3.26Å; E83-R86 PolarHBondContact O-N 3.02Å; E83-R86 WeakPolarHBondContact OE2-CD 3.49Å; E83-R86 IonicContact OE2-CZ 3.71Å; E83-R86 IonicContact OE2-NE 3.92Å; E83-R86 IonicContact OE2-NH1 2.71Å; E83-R86 PolarHBondContact OE2-NH1 2.62Å; E83-L87 PolarHBondContact O-N 2.89Å |
| 84 | R | 98.2 | Very high | 97.9 | Very high | 141 Ų | 141 | 114.9 Ų | 114.9 | 53% | 0.532 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56 | -31 | 173.4 | -69.8 | -160 | -65.4 | 162.3 | -0.7 | 113.4 | W80 N81 L88 | W80-R84 HydrophobicContact CD2-CG 4.5Å; W80-R84 HydrophobicContact CG-CG 4.5Å; W80-R84 WeakPolarHBondContact O-CG 3.45Å; W80-R84 PolarHBondContact O-N 3.42Å; N81-R84 PolarHBondContact OD1-NE 2.98Å; N81-R84 PolarHBondContact OD1-NH2 3.49Å; R84-L88 VanDerWaalsContact O-CB 3.32Å; R84-L88 WeakPolarHBondContact O-CB 3.4Å; R84-L88 PolarHBondContact O-N 3.25Å; R84-L88 VanDerWaalsContact O-N 3.1Å |
| 85 | R | 98.3 | Very high | 97.9 | Very high | 153 Ų | 153 | 115 Ų | 115 | 58% | 0.577 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -74.8 | -34 | 175.1 | -80.2 | -176.6 | -69.9 | 161.7 | -2.8 | 112.7 | N81 R82 E83 I89 | N81-R85 WeakPolarHBondContact O-CG 3.32Å; N81-R85 PolarHBondContact O-NE 2.99Å; R82-R85 PolarHBondContact O-N 3.42Å; E83-R85 PolarHBondContact O-N 3.32Å; E83-R85 VanDerWaalsContact O-N 3.12Å; R85-I89 WeakPolarHBondContact O-CD1 3.48Å; R85-I89 WeakPolarHBondContact O-CG1 3.22Å; R85-I89 PolarHBondContact O-N 2.89Å |
| 86 | R | 98.2 | Very high | 98 | Very high | 161 Ų | 161 | 112.2 Ų | 112.2 | 61% | 0.608 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.3 | -48.8 | 173.1 | -69.3 | 166.8 | 169.9 | 176.4 | -12.1 | 111 | R82 E83 L88 I89 E90 | R82-R86 PolarHBondContact O-N 2.84Å; E83-R86 WeakPolarHBondContact O-CB 3.26Å; E83-R86 PolarHBondContact O-N 3.02Å; E83-R86 WeakPolarHBondContact OE2-CD 3.49Å; E83-R86 IonicContact OE2-CZ 3.71Å; E83-R86 IonicContact OE2-NE 3.92Å; E83-R86 IonicContact OE2-NH1 2.71Å; E83-R86 PolarHBondContact OE2-NH1 2.62Å; R86-L88 VanDerWaalsContact C-N 3.31Å; R86-L88 PolarHBondContact O-N 3.4Å; R86-I89 WeakPolarHBondContact O-CB 3.46Å; R86-I89 PolarHBondContact O-N 3.14Å; R86-I89 VanDerWaalsContact O-N 3.09Å; R86-E90 PolarHBondContact O-N 2.91Å |
| 87 | L | 98.3 | Very high | 98 | Very high | 91 Ų | 91 | 107.7 Ų | 107.7 | 48% | 0.476 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.7 | -40.2 | 176.5 | -63.4 | 172 | 0 | 0 | 0 | 112.2 | E83 E90 E91 | E83-L87 PolarHBondContact O-N 2.89Å; L87-E90 PolarHBondContact O-N 2.82Å; L87-E91 PolarHBondContact O-N 3.46Å |
| 88 | L | 98.4 | Very high | 98 | Very high | 96 Ų | 96 | 108.3 Ų | 108.3 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.3 | -33.8 | 175.4 | -178.4 | 147 | 0 | 0 | 0 | 112.6 | R84 R86 L92 | R84-L88 VanDerWaalsContact O-CB 3.32Å; R84-L88 WeakPolarHBondContact O-CB 3.4Å; R84-L88 PolarHBondContact O-N 3.25Å; R84-L88 VanDerWaalsContact O-N 3.1Å; R86-L88 VanDerWaalsContact C-N 3.31Å; R86-L88 PolarHBondContact O-N 3.4Å; L88-L92 HydrophobicContact CD2-CD1 3.63Å; L88-L92 HydrophobicContact CD2-CG 4.3Å; L88-L92 WeakPolarHBondContact O-CB 3.31Å; L88-L92 VanDerWaalsContact O-CG 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.37Å; L88-L92 PolarHBondContact O-N 3.16Å |
| 89 | I | 98.6 | Very high | 98.1 | Very high | 85 Ų | 85 | 107 Ų | 107 | 44% | 0.436 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -45.5 | 172.9 | -71.8 | 161.5 | 0 | 0 | 0 | 110 | R85 R86 E91 L92 E93 | R85-I89 WeakPolarHBondContact O-CD1 3.48Å; R85-I89 WeakPolarHBondContact O-CG1 3.22Å; R85-I89 PolarHBondContact O-N 2.89Å; R86-I89 WeakPolarHBondContact O-CB 3.46Å; R86-I89 PolarHBondContact O-N 3.14Å; R86-I89 VanDerWaalsContact O-N 3.09Å; I89-E91 PolarHBondContact O-N 3.17Å; I89-L92 PolarHBondContact O-N 3.05Å; I89-L92 VanDerWaalsContact O-N 3.16Å; I89-E93 HydrophobicContact CG2-CG 4.25Å; I89-E93 VanDerWaalsContact CG2-OE1 3.26Å; I89-E93 WeakPolarHBondContact CG2-OE1 3.48Å; I89-E93 WeakPolarHBondContact O-CB 3.34Å; I89-E93 WeakPolarHBondContact O-CG 3.4Å; I89-E93 PolarHBondContact O-N 3.39Å |
| 90 | E | 98.5 | Very high | 98.2 | Very high | 127 Ų | 127 | 109 Ų | 109 | 59% | 0.593 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.5 | -44.1 | 175.9 | -174.4 | -179.9 | 179.5 | 0 | 0 | 112.2 | R86 L87 L92 E93 A94 | R86-E90 PolarHBondContact O-N 2.91Å; L87-E90 PolarHBondContact O-N 2.82Å; E90-L92 PolarHBondContact O-N 3.41Å; E90-E93 PolarHBondContact O-N 3.48Å; E90-A94 WeakPolarHBondContact O-CB 3.45Å; E90-A94 PolarHBondContact O-N 2.95Å |
| 91 | E | 98.4 | Very high | 98.2 | Very high | 115 Ų | 115 | 106.8 Ų | 106.8 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 174.7 | -165.6 | -162.1 | 145.9 | 0 | 0 | 112.2 | L87 I89 R95 | L87-E91 PolarHBondContact O-N 3.46Å; I89-E91 PolarHBondContact O-N 3.17Å; E91-R95 WeakPolarHBondContact O-CB 3.31Å; E91-R95 PolarHBondContact O-N 3.13Å; E91-R95 IonicContact OE1-NH2 3.36Å; E91-R95 PolarHBondContact OE1-NH2 2.82Å |
| 92 | L | 98.4 | Very high | 98.2 | Very high | 82 Ų | 82 | 109.4 Ų | 109.4 | 43% | 0.429 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.9 | -40.4 | 177.5 | -73.7 | 177.3 | 0 | 0 | 0 | 112.2 | L88 I89 E90 R95 I96 | L88-L92 HydrophobicContact CD2-CD1 3.63Å; L88-L92 HydrophobicContact CD2-CG 4.3Å; L88-L92 WeakPolarHBondContact O-CB 3.31Å; L88-L92 VanDerWaalsContact O-CG 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.37Å; L88-L92 PolarHBondContact O-N 3.16Å; I89-L92 PolarHBondContact O-N 3.05Å; I89-L92 VanDerWaalsContact O-N 3.16Å; E90-L92 PolarHBondContact O-N 3.41Å; L92-R95 PolarHBondContact O-N 3.16Å; L92-I96 WeakPolarHBondContact O-CB 3.44Å; L92-I96 WeakPolarHBondContact O-CD1 3.47Å; L92-I96 WeakPolarHBondContact O-CG1 3.48Å; L92-I96 PolarHBondContact O-N 3.13Å |
| 93 | E | 98.5 | Very high | 98.2 | Very high | 125 Ų | 125 | 106.3 Ų | 106.3 | 58% | 0.584 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63 | -44.8 | 175.3 | -74.6 | 174.9 | -176.9 | 0 | 0 | 111 | I89 E90 R95 I96 A97 | I89-E93 HydrophobicContact CG2-CG 4.25Å; I89-E93 VanDerWaalsContact CG2-OE1 3.26Å; I89-E93 WeakPolarHBondContact CG2-OE1 3.48Å; I89-E93 WeakPolarHBondContact O-CB 3.34Å; I89-E93 WeakPolarHBondContact O-CG 3.4Å; I89-E93 PolarHBondContact O-N 3.39Å; E90-E93 PolarHBondContact O-N 3.48Å; E93-R95 VanDerWaalsContact C-N 3.32Å; E93-R95 PolarHBondContact O-N 2.93Å; E93-I96 PolarHBondContact O-N 3.44Å; E93-A97 PolarHBondContact O-N 3.25Å |
| 94 | A | 98.3 | Very high | 98.3 | Very high | 54 Ų | 54 | 104.8 Ų | 104.8 | 45% | 0.446 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.8 | -41 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E90 A97 L98 | E90-A94 WeakPolarHBondContact O-CB 3.45Å; E90-A94 PolarHBondContact O-N 2.95Å; A94-A97 PolarHBondContact O-N 2.95Å; A94-L98 WeakPolarHBondContact O-CG 3.4Å; A94-L98 PolarHBondContact O-N 3.39Å |
| 95 | R | 97.9 | Very high | 98.3 | Very high | 144 Ų | 144 | 103.7 Ų | 103.7 | 54% | 0.543 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 175.1 | -174.9 | 177.9 | -63 | -161.4 | 4.3 | 112.4 | E91 L92 E93 A97 L98 M99 | E91-R95 WeakPolarHBondContact O-CB 3.31Å; E91-R95 PolarHBondContact O-N 3.13Å; E91-R95 IonicContact OE1-NH2 3.36Å; E91-R95 PolarHBondContact OE1-NH2 2.82Å; L92-R95 PolarHBondContact O-N 3.16Å; E93-R95 VanDerWaalsContact C-N 3.32Å; E93-R95 PolarHBondContact O-N 2.93Å; R95-A97 VanDerWaalsContact C-N 3.32Å; R95-A97 PolarHBondContact O-N 3.19Å; R95-L98 PolarHBondContact O-N 3.02Å; R95-M99 WeakPolarHBondContact O-CB 3.18Å; R95-M99 PolarHBondContact O-N 3.25Å |
| 96 | I | 98.4 | Very high | 98.2 | Very high | 112 Ų | 112 | 101.4 Ų | 101.4 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.6 | -40.7 | 177.8 | -71.6 | 161.9 | 0 | 0 | 0 | 110.4 | L92 E93 L98 M99 P100 | L92-I96 WeakPolarHBondContact O-CB 3.44Å; L92-I96 WeakPolarHBondContact O-CD1 3.47Å; L92-I96 WeakPolarHBondContact O-CG1 3.48Å; L92-I96 PolarHBondContact O-N 3.13Å; E93-I96 PolarHBondContact O-N 3.44Å; I96-L98 VanDerWaalsContact C-N 3.32Å; I96-L98 PolarHBondContact O-N 2.7Å; I96-M99 PolarHBondContact O-N 3.23Å; I96-P100 VanDerWaalsContact O-CD 3.32Å; I96-P100 WeakPolarHBondContact O-CD 3.45Å |
| 97 | A | 98.3 | Very high | 98.2 | Very high | 76 Ų | 76 | 96.9 Ų | 96.9 | 63% | 0.628 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.6 | -35.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E93 A94 R95 | E93-A97 PolarHBondContact O-N 3.25Å; A94-A97 PolarHBondContact O-N 2.95Å; R95-A97 VanDerWaalsContact C-N 3.32Å; R95-A97 PolarHBondContact O-N 3.19Å |
| 98 | L | 97.9 | Very high | 98.2 | Very high | 102 Ų | 102 | 100.5 Ų | 100.5 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -85.7 | -24.2 | 179 | -65.8 | 174.2 | 0 | 0 | 0 | 114 | A94 R95 I96 P100 L101 I102 | A94-L98 WeakPolarHBondContact O-CG 3.4Å; A94-L98 PolarHBondContact O-N 3.39Å; R95-L98 PolarHBondContact O-N 3.02Å; I96-L98 VanDerWaalsContact C-N 3.32Å; I96-L98 PolarHBondContact O-N 2.7Å; L98-P100 VanDerWaalsContact C-CD 3.49Å; L98-L101 PolarHBondContact O-N 3.18Å; L98-I102 HydrophobicContact CB-CD1 4.22Å; L98-I102 PolarHBondContact O-N 2.75Å |
| 99 | M | 98.1 | Very high | 98.2 | Very high | 106 Ų | 106 | 102.4 Ų | 102.4 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -48.2 | -48.4 | -177.9 | -173.5 | 179.2 | -70.3 | 0 | 0 | 115 | R95 I96 L101 I102 Q103 | R95-M99 WeakPolarHBondContact O-CB 3.18Å; R95-M99 PolarHBondContact O-N 3.25Å; I96-M99 PolarHBondContact O-N 3.23Å; M99-L101 VanDerWaalsContact C-N 3.31Å; M99-L101 PolarHBondContact O-N 3.04Å; M99-I102 PolarHBondContact O-N 2.98Å; M99-Q103 WeakPolarHBondContact O-CB 3.37Å; M99-Q103 PolarHBondContact O-N 2.98Å |
| 100 | P | 98.3 | Very high | 98 | Very high | 86 Ų | 86 | 99.1 Ų | 99.1 | 56% | 0.558 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.9 | -31.6 | -177.2 | 24.6 | -34.9 | 0 | 0 | 0 | 113.6 | I96 L98 A104 | I96-P100 VanDerWaalsContact O-CD 3.32Å; I96-P100 WeakPolarHBondContact O-CD 3.45Å; L98-P100 VanDerWaalsContact C-CD 3.49Å; P100-A104 WeakPolarHBondContact O-CB 3.39Å; P100-A104 PolarHBondContact O-N 3.39Å; P100-A104 VanDerWaalsContact O-N 3.09Å |
| 101 | L | 98.3 | Very high | 97.9 | Very high | 106 Ų | 106 | 97.8 Ų | 97.8 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.4 | -50.7 | 175.6 | -178.8 | 70 | 0 | 0 | 0 | 110.5 | L98 M99 Q103 A104 E105 | L98-L101 PolarHBondContact O-N 3.18Å; M99-L101 VanDerWaalsContact C-N 3.31Å; M99-L101 PolarHBondContact O-N 3.04Å; L101-Q103 VanDerWaalsContact C-N 3.28Å; L101-Q103 PolarHBondContact O-N 3.09Å; L101-A104 PolarHBondContact O-N 3.38Å; L101-E105 PolarHBondContact O-N 2.95Å |
| 102 | I | 98.3 | Very high | 97.9 | Very high | 105 Ų | 105 | 100.5 Ų | 100.5 | 54% | 0.538 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -39.8 | -179.6 | -62.4 | 170.2 | 0 | 0 | 0 | 110.5 | L98 M99 E105 H106 | L98-I102 HydrophobicContact CB-CD1 4.22Å; L98-I102 PolarHBondContact O-N 2.75Å; M99-I102 PolarHBondContact O-N 2.98Å; I102-E105 PolarHBondContact O-N 2.97Å; I102-H106 VanDerWaalsContact O-CB 3.31Å; I102-H106 WeakPolarHBondContact O-CB 3.41Å; I102-H106 PolarHBondContact O-N 3.48Å |
| 103 | Q | 97.9 | Very high | 97.8 | Very high | 94 Ų | 94 | 97.4 Ų | 97.4 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.9 | -49.9 | 175.4 | -173.7 | 60.6 | 41.3 | 0 | 0 | 111.3 | M99 L101 E105 H106 D107 | M99-Q103 WeakPolarHBondContact O-CB 3.37Å; M99-Q103 PolarHBondContact O-N 2.98Å; L101-Q103 VanDerWaalsContact C-N 3.28Å; L101-Q103 PolarHBondContact O-N 3.09Å; Q103-E105 VanDerWaalsContact C-N 3.31Å; Q103-E105 PolarHBondContact O-N 3.47Å; Q103-H106 WeakPolarHBondContact O-CB 3.2Å; Q103-H106 PolarHBondContact O-N 3.1Å; Q103-H106 VanDerWaalsContact O-N 3.12Å; Q103-D107 VanDerWaalsContact NE2-CG 3.3Å; Q103-D107 PolarHBondContact NE2-OD1 3.36Å; Q103-D107 PolarHBondContact NE2-OD2 2.88Å; Q103-D107 VanDerWaalsContact NE2-OD2 3.09Å; Q103-D107 VanDerWaalsContact O-CG 3.23Å; Q103-D107 PolarHBondContact O-N 2.88Å |
| 104 | A | 98.4 | Very high | 97.7 | Very high | 39 Ų | 39 | 93.1 Ų | 93.1 | 32% | 0.322 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.5 | -35.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P100 L101 R108 | P100-A104 WeakPolarHBondContact O-CB 3.39Å; P100-A104 PolarHBondContact O-N 3.39Å; P100-A104 VanDerWaalsContact O-N 3.09Å; L101-A104 PolarHBondContact O-N 3.38Å; A104-R108 WeakPolarHBondContact O-CB 3.46Å; A104-R108 WeakPolarHBondContact O-CD 3.48Å; A104-R108 WeakPolarHBondContact O-CG 3.47Å; A104-R108 PolarHBondContact O-N 3.15Å; A104-R108 VanDerWaalsContact O-N 3.11Å |
| 105 | E | 98.5 | Very high | 97.6 | Very high | 118 Ų | 118 | 97.5 Ų | 97.5 | 55% | 0.551 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -69.7 | -39.3 | 172.7 | -71.8 | -172.4 | 175.4 | 0 | 0 | 112.6 | L101 I102 Q103 R109 | L101-E105 PolarHBondContact O-N 2.95Å; I102-E105 PolarHBondContact O-N 2.97Å; Q103-E105 VanDerWaalsContact C-N 3.31Å; Q103-E105 PolarHBondContact O-N 3.47Å; E105-R109 WeakPolarHBondContact O-CB 3.45Å; E105-R109 PolarHBondContact O-N 3.4Å |
| 106 | H | 97.4 | Very high | 97.5 | Very high | 106 Ų | 106 | 94.2 Ų | 94.2 | 49% | 0.491 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.4 | -49.4 | 175.5 | -172.8 | 85.7 | 0 | 0 | 0 | 111.3 | I102 Q103 R108 R109 T110 | I102-H106 VanDerWaalsContact O-CB 3.31Å; I102-H106 WeakPolarHBondContact O-CB 3.41Å; I102-H106 PolarHBondContact O-N 3.48Å; Q103-H106 WeakPolarHBondContact O-CB 3.2Å; Q103-H106 PolarHBondContact O-N 3.1Å; Q103-H106 VanDerWaalsContact O-N 3.12Å; H106-R108 PolarHBondContact O-N 3.43Å; H106-R109 WeakPolarHBondContact O-CA 3.4Å; H106-R109 WeakPolarHBondContact O-CB 3.26Å; H106-R109 PolarHBondContact O-N 3.31Å; H106-T110 PolarHBondContact O-N 3.14Å; H106-T110 PolarHBondContact O-OG1 3.22Å |
| 107 | D | 98 | Very high | 97.4 | Very high | 66 Ų | 66 | 89.6 Ų | 89.6 | 35% | 0.353 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63 | -41 | 179.7 | -64.3 | -26.2 | 0 | 0 | 0 | 111.7 | Q103 R109 T110 L111 | Q103-D107 VanDerWaalsContact NE2-CG 3.3Å; Q103-D107 PolarHBondContact NE2-OD1 3.36Å; Q103-D107 PolarHBondContact NE2-OD2 2.88Å; Q103-D107 VanDerWaalsContact NE2-OD2 3.09Å; Q103-D107 VanDerWaalsContact O-CG 3.23Å; Q103-D107 PolarHBondContact O-N 2.88Å; D107-R109 VanDerWaalsContact C-N 3.28Å; D107-R109 PolarHBondContact O-N 2.94Å; D107-T110 PolarHBondContact O-OG1 3.36Å; D107-T110 VanDerWaalsContact O-OG1 3.07Å; D107-L111 WeakPolarHBondContact O-CB 3.39Å; D107-L111 VanDerWaalsContact O-CG 3.27Å; D107-L111 WeakPolarHBondContact O-CG 3.45Å; D107-L111 PolarHBondContact O-N 2.84Å; D107-L111 VanDerWaalsContact O-N 3.09Å |
| 108 | R | 98.3 | Very high | 97.3 | Very high | 166 Ų | 166 | 88.9 Ų | 88.9 | 63% | 0.626 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.8 | -36.6 | 171.8 | -74.8 | 168.1 | -179.8 | -178 | 0.7 | 112.2 | A104 H106 R112 | A104-R108 WeakPolarHBondContact O-CB 3.46Å; A104-R108 WeakPolarHBondContact O-CD 3.48Å; A104-R108 WeakPolarHBondContact O-CG 3.47Å; A104-R108 PolarHBondContact O-N 3.15Å; A104-R108 VanDerWaalsContact O-N 3.11Å; H106-R108 PolarHBondContact O-N 3.43Å; R108-R112 WeakPolarHBondContact O-CB 3.43Å; R108-R112 WeakPolarHBondContact O-CD 3.18Å; R108-R112 WeakPolarHBondContact O-CG 3.45Å; R108-R112 PolarHBondContact O-N 3Å |
| 109 | R | 96.8 | Very high | 97.2 | Very high | 136 Ų | 136 | 88.2 Ų | 88.2 | 51% | 0.513 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -72.7 | -44.9 | -179.6 | -172.7 | -178.7 | -178.3 | 136 | 8 | 111.8 | E105 H106 D107 R112 M113 | E105-R109 WeakPolarHBondContact O-CB 3.45Å; E105-R109 PolarHBondContact O-N 3.4Å; H106-R109 WeakPolarHBondContact O-CA 3.4Å; H106-R109 WeakPolarHBondContact O-CB 3.26Å; H106-R109 PolarHBondContact O-N 3.31Å; D107-R109 VanDerWaalsContact C-N 3.28Å; D107-R109 PolarHBondContact O-N 2.94Å; R109-R112 PolarHBondContact O-N 3.45Å; R109-M113 HydrophobicContact CG-CE 4.03Å; R109-M113 HydrophobicContact CG-SD 4.31Å; R109-M113 WeakPolarHBondContact O-CG 3.45Å; R109-M113 PolarHBondContact O-N 2.83Å; R109-M113 VanDerWaalsContact O-N 3.14Å |
| 110 | T | 95.9 | Very high | 97.1 | Very high | 16 Ų | 16 | 87.6 Ų | 87.6 | 10% | 0.098 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.7 | -46.5 | 179.1 | 52.1 | 0 | 0 | 0 | 0 | 111.2 | H106 D107 R112 M113 L114 L151 | H106-T110 PolarHBondContact O-N 3.14Å; H106-T110 PolarHBondContact O-OG1 3.22Å; D107-T110 PolarHBondContact O-OG1 3.36Å; D107-T110 VanDerWaalsContact O-OG1 3.07Å; T110-R112 VanDerWaalsContact C-N 3.33Å; T110-R112 PolarHBondContact O-N 3.12Å; T110-M113 PolarHBondContact O-N 3.13Å; T110-L114 WeakPolarHBondContact O-CG 3.24Å; T110-L114 PolarHBondContact O-N 3.15Å; T110-L151 HydrophobicContact CG2-CD1 4.48Å |
| 111 | L | 96.8 | Very high | 96.9 | Very high | 99 Ų | 99 | 85.6 Ų | 85.6 | 52% | 0.518 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.1 | -36 | 177.8 | -68.1 | 174.4 | 0 | 0 | 0 | 113 | D107 R115 W143 | D107-L111 WeakPolarHBondContact O-CB 3.39Å; D107-L111 VanDerWaalsContact O-CG 3.27Å; D107-L111 WeakPolarHBondContact O-CG 3.45Å; D107-L111 PolarHBondContact O-N 2.84Å; D107-L111 VanDerWaalsContact O-N 3.09Å; L111-R115 VanDerWaalsContact O-CB 3.3Å; L111-R115 WeakPolarHBondContact O-CB 3.46Å; L111-R115 PolarHBondContact O-N 3.15Å; L111-W143 HydrophobicContact CD2-CH2 4.13Å |
| 112 | R | 97.1 | Very high | 96.7 | Very high | 172 Ų | 172 | 82.9 Ų | 82.9 | 65% | 0.649 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.7 | -49.9 | 172.8 | -78.2 | 170.7 | -177.2 | -177.7 | -0 | 112 | R108 R109 T110 L114 R115 E116 | R108-R112 WeakPolarHBondContact O-CB 3.43Å; R108-R112 WeakPolarHBondContact O-CD 3.18Å; R108-R112 WeakPolarHBondContact O-CG 3.45Å; R108-R112 PolarHBondContact O-N 3Å; R109-R112 PolarHBondContact O-N 3.45Å; T110-R112 VanDerWaalsContact C-N 3.33Å; T110-R112 PolarHBondContact O-N 3.12Å; R112-L114 VanDerWaalsContact C-N 3.35Å; R112-L114 PolarHBondContact O-N 3.29Å; R112-R115 PolarHBondContact O-N 3.18Å; R112-R115 VanDerWaalsContact O-N 3.14Å; R112-E116 VanDerWaalsContact O-CG 3.31Å; R112-E116 WeakPolarHBondContact O-CG 3.36Å; R112-E116 PolarHBondContact O-N 2.8Å |
| 113 | M | 96.1 | Very high | 96.6 | Very high | 17 Ų | 17 | 82.8 Ų | 82.8 | 8% | 0.084 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.4 | -39.9 | -179.6 | -66.6 | -180 | -51.9 | 0 | 0 | 111.8 | R109 T110 E116 N117 L151 F152 | R109-M113 HydrophobicContact CG-CE 4.03Å; R109-M113 HydrophobicContact CG-SD 4.31Å; R109-M113 WeakPolarHBondContact O-CG 3.45Å; R109-M113 PolarHBondContact O-N 2.83Å; R109-M113 VanDerWaalsContact O-N 3.14Å; T110-M113 PolarHBondContact O-N 3.13Å; M113-E116 PolarHBondContact O-N 3.33Å; M113-N117 WeakPolarHBondContact O-CB 3.15Å; M113-N117 PolarHBondContact O-N 2.98Å; M113-N117 PolarHBondContact O-OD1 2.93Å; M113-L151 HydrophobicContact CB-CD2 4.13Å; M113-L151 HydrophobicContact CE-CD1 4.14Å; M113-L151 HydrophobicContact CE-CD2 4.18Å; M113-F152 HydrophobicContact CE-CZ 4.31Å; M113-F152 HydrophobicContact SD-CE1 4.3Å; M113-F152 HydrophobicContact SD-CZ 3.92Å |
| 114 | L | 96.2 | Very high | 96.4 | Very high | 35 Ų | 35 | 82.9 Ų | 82.9 | 18% | 0.183 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 173.5 | -71.2 | 174.1 | 0 | 0 | 0 | 112.6 | T110 R112 N117 L118 W143 P146 L151 | T110-L114 WeakPolarHBondContact O-CG 3.24Å; T110-L114 PolarHBondContact O-N 3.15Å; R112-L114 VanDerWaalsContact C-N 3.35Å; R112-L114 PolarHBondContact O-N 3.29Å; L114-N117 PolarHBondContact O-N 2.83Å; L114-L118 WeakPolarHBondContact O-CB 3.48Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.38Å; L114-L118 PolarHBondContact O-N 2.94Å; L114-W143 HydrophobicContact CD1-CH2 3.51Å; L114-W143 HydrophobicContact CD1-CZ2 4.14Å; L114-P146 HydrophobicContact CD1-CB 4.39Å; L114-P146 HydrophobicContact CD1-CG 4.07Å; L114-P146 HydrophobicContact CD2-CB 4.08Å; L114-P146 HydrophobicContact CD2-CG 4.45Å; L114-L151 HydrophobicContact CD2-CD2 3.73Å; L114-L151 HydrophobicContact CG-CD2 3.72Å |
| 115 | R | 96.6 | Very high | 96.2 | Very high | 147 Ų | 147 | 84.1 Ų | 84.1 | 56% | 0.555 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66 | -43.6 | 177.5 | -178.8 | 62.6 | -164.4 | 165 | 10.9 | 111.8 | L111 R112 L118 E119 | L111-R115 VanDerWaalsContact O-CB 3.3Å; L111-R115 WeakPolarHBondContact O-CB 3.46Å; L111-R115 PolarHBondContact O-N 3.15Å; R112-R115 PolarHBondContact O-N 3.18Å; R112-R115 VanDerWaalsContact O-N 3.14Å; R115-L118 PolarHBondContact O-N 2.86Å; R115-E119 IonicContact CZ-OE1 2.62Å; R115-E119 IonicContact NE-OE1 3.77Å; R115-E119 PolarHBondContact NE-OE1 3.32Å; R115-E119 IonicContact NH2-OE1 3.83Å; R115-E119 PolarHBondContact NH2-OE1 3.06Å; R115-E119 WeakPolarHBondContact O-CG 3.32Å; R115-E119 PolarHBondContact O-N 3.47Å |
| 116 | E | 96.3 | Very high | 96 | Very high | 74 Ų | 74 | 85.2 Ų | 85.2 | 35% | 0.346 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.4 | -49.1 | 172.7 | -67.9 | 162.3 | 173.8 | 0 | 0 | 110.7 | R112 M113 L118 E119 E120 R155 | R112-E116 VanDerWaalsContact O-CG 3.31Å; R112-E116 WeakPolarHBondContact O-CG 3.36Å; R112-E116 PolarHBondContact O-N 2.8Å; M113-E116 PolarHBondContact O-N 3.33Å; E116-L118 PolarHBondContact O-N 2.91Å; E116-E119 PolarHBondContact O-N 2.83Å; E116-E119 VanDerWaalsContact O-N 3.15Å; E116-E120 PolarHBondContact O-N 3.43Å; E116-R155 IonicContact OE1-NH2 3.1Å; E116-R155 IonicContact OE2-CZ 2.75Å; E116-R155 IonicContact OE2-NH2 2.69Å; E116-R155 PolarHBondContact OE2-NH2 3.43Å |
| 117 | N | 96.1 | Very high | 95.8 | Very high | 16 Ų | 16 | 87.4 Ų | 87.4 | 9% | 0.086 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.1 | -38.6 | -179.6 | -66.7 | -1.6 | 0 | 0 | 0 | 112.4 | M113 L114 E120 E121 E150 L151 L154 | M113-N117 WeakPolarHBondContact O-CB 3.15Å; M113-N117 PolarHBondContact O-N 2.98Å; M113-N117 PolarHBondContact O-OD1 2.93Å; L114-N117 PolarHBondContact O-N 2.83Å; N117-E120 PolarHBondContact O-N 2.81Å; N117-E121 VanDerWaalsContact O-CB 3.24Å; N117-E121 WeakPolarHBondContact O-CB 3.37Å; N117-E121 PolarHBondContact O-N 3.17Å; N117-E150 PolarHBondContact ND2-O 2.91Å; N117-L151 PolarHBondContact ND2-O 2.96Å; N117-L151 VanDerWaalsContact ND2-O 3.13Å; N117-L154 HydrophobicContact CB-CD1 4.14Å |
| 118 | L | 95.9 | Very high | 95.6 | Very high | 61 Ų | 61 | 87.5 Ų | 87.5 | 32% | 0.319 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.4 | -35.3 | 174.4 | -73.9 | 166.1 | 0 | 0 | 0 | 112.6 | L114 R115 E116 S122 V133 G134 | L114-L118 WeakPolarHBondContact O-CB 3.48Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.38Å; L114-L118 PolarHBondContact O-N 2.94Å; R115-L118 PolarHBondContact O-N 2.86Å; E116-L118 PolarHBondContact O-N 2.91Å; L118-S122 VanDerWaalsContact O-CB 3.31Å; L118-S122 WeakPolarHBondContact O-CB 3.34Å; L118-S122 PolarHBondContact O-N 2.92Å; L118-V133 HydrophobicContact CD2-CG1 4.31Å; L118-G134 VanDerWaalsContact CD2-CA 3.42Å |
| 119 | E | 96.3 | Very high | 95.4 | Very high | 87 Ų | 87 | 85.6 Ų | 85.6 | 41% | 0.407 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.1 | -44.5 | 175.3 | -75 | 174.3 | -179.8 | 0 | 0 | 110.9 | R115 E116 S122 I123 | R115-E119 IonicContact CZ-OE1 2.62Å; R115-E119 IonicContact NE-OE1 3.77Å; R115-E119 PolarHBondContact NE-OE1 3.32Å; R115-E119 IonicContact NH2-OE1 3.83Å; R115-E119 PolarHBondContact NH2-OE1 3.06Å; R115-E119 WeakPolarHBondContact O-CG 3.32Å; R115-E119 PolarHBondContact O-N 3.47Å; E116-E119 PolarHBondContact O-N 2.83Å; E116-E119 VanDerWaalsContact O-N 3.15Å; E119-S122 PolarHBondContact O-N 3.32Å; E119-S122 PolarHBondContact O-OG 3.32Å; E119-I123 WeakPolarHBondContact O-CD1 3.49Å; E119-I123 WeakPolarHBondContact O-CG1 3.43Å; E119-I123 PolarHBondContact O-N 2.9Å |
| 120 | E | 95.8 | Very high | 95.2 | Very high | 94 Ų | 94 | 83 Ų | 83 | 44% | 0.439 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 173.7 | -71.3 | -170 | -164 | 0 | 0 | 112.7 | E116 N117 S122 I123 I124 L154 | E116-E120 PolarHBondContact O-N 3.43Å; N117-E120 PolarHBondContact O-N 2.81Å; E120-S122 VanDerWaalsContact C-N 3.29Å; E120-S122 PolarHBondContact O-N 3.34Å; E120-I123 WeakPolarHBondContact O-CA 3.31Å; E120-I123 WeakPolarHBondContact O-CB 3.48Å; E120-I123 PolarHBondContact O-N 2.93Å; E120-I124 HydrophobicContact CB-CD1 4.48Å; E120-I124 VanDerWaalsContact O-CG1 3.32Å; E120-I124 WeakPolarHBondContact O-CG1 3.38Å; E120-I124 PolarHBondContact O-N 3.01Å; E120-L154 HydrophobicContact CB-CD1 3.78Å; E120-L154 WeakPolarHBondContact OE2-CD1 3.27Å |
| 121 | E | 94.4 | Very high | 95.1 | Very high | 44 Ų | 44 | 89 Ų | 89 | 21% | 0.206 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -56.3 | -44.7 | 173.5 | -172.1 | -163.9 | 159.2 | 0 | 0 | 110.9 | N117 I123 I124 M125 W131 V133 G134 | N117-E121 VanDerWaalsContact O-CB 3.24Å; N117-E121 WeakPolarHBondContact O-CB 3.37Å; N117-E121 PolarHBondContact O-N 3.17Å; E121-I123 PolarHBondContact O-N 3.34Å; E121-I124 PolarHBondContact O-N 2.77Å; E121-M125 HydrophobicContact CG-CG 4.08Å; E121-M125 WeakPolarHBondContact O-CB 3.21Å; E121-M125 PolarHBondContact O-N 3.39Å; E121-W131 PolarHBondContact OE1-NE1 3.43Å; E121-V133 HydrophobicContact CB-CG1 4.35Å; E121-V133 HydrophobicContact CG-CG1 4.27Å; E121-V133 WeakPolarHBondContact OE1-CA 3.41Å; E121-G134 PolarHBondContact OE1-N 2.88Å |
| 122 | S | 94.4 | Very high | 94.9 | Very high | 48 Ų | 48 | 90 Ų | 90 | 34% | 0.336 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.4 | -20.1 | 176.9 | 84 | 0 | 0 | 0 | 0 | 114 | L118 E119 E120 K126 | L118-S122 VanDerWaalsContact O-CB 3.31Å; L118-S122 WeakPolarHBondContact O-CB 3.34Å; L118-S122 PolarHBondContact O-N 2.92Å; E119-S122 PolarHBondContact O-N 3.32Å; E119-S122 PolarHBondContact O-OG 3.32Å; E120-S122 VanDerWaalsContact C-N 3.29Å; E120-S122 PolarHBondContact O-N 3.34Å; S122-K126 WeakPolarHBondContact O-CE 3.48Å; S122-K126 WeakPolarHBondContact O-CG 3.48Å |
| 123 | I | 95.5 | Very high | 94.7 | Very high | 104 Ų | 104 | 85.1 Ų | 85.1 | 53% | 0.533 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -89.1 | -42.2 | 176.7 | -67.9 | 163.9 | 0 | 0 | 0 | 110.6 | E119 E120 E121 | E119-I123 WeakPolarHBondContact O-CD1 3.49Å; E119-I123 WeakPolarHBondContact O-CG1 3.43Å; E119-I123 PolarHBondContact O-N 2.9Å; E120-I123 WeakPolarHBondContact O-CA 3.31Å; E120-I123 WeakPolarHBondContact O-CB 3.48Å; E120-I123 PolarHBondContact O-N 2.93Å; E121-I123 PolarHBondContact O-N 3.34Å |
| 124 | I | 94.7 | Very high | 94.4 | Very high | 96 Ų | 96 | 86.5 Ų | 86.5 | 49% | 0.492 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -75.3 | -38.1 | -176 | -63.7 | 163.5 | 0 | 0 | 0 | 111.7 | E120 E121 | E120-I124 HydrophobicContact CB-CD1 4.48Å; E120-I124 VanDerWaalsContact O-CG1 3.32Å; E120-I124 WeakPolarHBondContact O-CG1 3.38Å; E120-I124 PolarHBondContact O-N 3.01Å; E121-I124 PolarHBondContact O-N 2.77Å |
| 125 | M | 94 | Very high | 94.3 | Very high | 64 Ų | 64 | 90.3 Ų | 90.3 | 32% | 0.315 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -94.8 | 12 | -170.6 | -60.6 | -60.4 | 170.3 | 0 | 0 | 114.9 | E121 D127 V128 W131 | E121-M125 HydrophobicContact CG-CG 4.08Å; E121-M125 WeakPolarHBondContact O-CB 3.21Å; E121-M125 PolarHBondContact O-N 3.39Å; M125-D127 VanDerWaalsContact C-N 3.26Å; M125-D127 PolarHBondContact O-N 3.49Å; M125-V128 PolarHBondContact O-N 3.37Å; M125-V128 HydrophobicContact SD-CG2 4.08Å; M125-W131 HydrophobicContact CB-CG 4.04Å; M125-W131 HydrophobicContact CG-CG 4.37Å |
| 126 | K | 93.2 | Very high | 94 | Very high | 142 Ų | 142 | 87 Ų | 87 | 62% | 0.617 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -37.3 | -177.6 | -70.1 | 177.6 | 172.4 | 154 | 0 | 113.9 | S122 | S122-K126 WeakPolarHBondContact O-CE 3.48Å; S122-K126 WeakPolarHBondContact O-CG 3.48Å |
| 127 | D | 94.2 | Very high | 93.8 | Very high | 151 Ų | 151 | 89.8 Ų | 89.8 | 81% | 0.807 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -0.2 | -170.4 | -53.9 | -46.3 | 0 | 0 | 0 | 112.9 | M125 P129 | M125-D127 VanDerWaalsContact C-N 3.26Å; M125-D127 PolarHBondContact O-N 3.49Å; D127-P129 WeakPolarHBondContact O-CD 3.48Å |
| 128 | V | 94.1 | Very high | 93.7 | Very high | 69 Ų | 69 | 94.3 Ų | 94.3 | 42% | 0.418 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -93.2 | 112.3 | -176.2 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | M125 G130 W131 | M125-V128 PolarHBondContact O-N 3.37Å; M125-V128 HydrophobicContact SD-CG2 4.08Å; V128-G130 PolarHBondContact O-N 3.42Å; V128-W131 HydrophobicContact CB-CB 4.21Å; V128-W131 HydrophobicContact CG1-CB 4.19Å; V128-W131 PolarHBondContact O-N 3.15Å |
| 129 | P | 94.1 | Very high | 93.7 | Very high | 125 Ų | 125 | 100.8 Ų | 100.8 | 81% | 0.812 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 131 | -177.3 | 27.7 | -34.4 | 0 | 0 | 0 | 111.5 | D127 | D127-P129 WeakPolarHBondContact O-CD 3.48Š|
| 130 | G | 90.9 | Very high | 93.6 | Very high | 81 Ų | 81 | 100.1 Ų | 100.1 | 84% | 0.835 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | -1.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | V128 | V128-G130 PolarHBondContact O-N 3.42Š|
| 131 | W | 94.3 | Very high | 93.5 | Very high | 142 Ų | 142 | 104.3 Ų | 104.3 | 54% | 0.538 | 57% | 0.574 | S | S | . | * | trans | -74 | 134.2 | 173 | -165.5 | -94.6 | 0 | 0 | 0 | 111.3 | E121 M125 V128 | E121-W131 PolarHBondContact OE1-NE1 3.43Å; M125-W131 HydrophobicContact CB-CG 4.04Å; M125-W131 HydrophobicContact CG-CG 4.37Å; V128-W131 HydrophobicContact CB-CB 4.21Å; V128-W131 HydrophobicContact CG1-CB 4.19Å; V128-W131 PolarHBondContact O-N 3.15Å | ||
| 132 | K | 92.4 | Very high | 93.5 | Very high | 122 Ų | 122 | 112.1 Ų | 112.1 | 53% | 0.53 | 60% | 0.601 | S | S | . | * | trans | -115 | 112.6 | 171.9 | -56.2 | -162.5 | -147.9 | 90.5 | 0 | 109.3 | G134 E135 | K132-G134 PolarHBondContact O-N 3.22Å; K132-E135 HydrophobicContact CB-CB 3.86Å; K132-E135 WeakPolarHBondContact CD-OE2 3.43Å; K132-E135 IonicContact NZ-OE1 2.72Å; K132-E135 PolarHBondContact NZ-OE1 3Å; K132-E135 IonicContact NZ-OE2 2.64Å; K132-E135 PolarHBondContact NZ-OE2 2.85Å; K132-E135 PolarHBondContact O-N 2.97Å | ||
| 133 | V | 93.2 | Very high | 93.5 | Very high | 68 Ų | 68 | 117.6 Ų | 117.6 | 41% | 0.412 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.7 | 127.1 | 180 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | L118 E121 E135 | L118-V133 HydrophobicContact CD2-CG1 4.31Å; E121-V133 HydrophobicContact CB-CG1 4.35Å; E121-V133 HydrophobicContact CG-CG1 4.27Å; E121-V133 WeakPolarHBondContact OE1-CA 3.41Å; V133-E135 VanDerWaalsContact C-N 3.29Å; V133-E135 PolarHBondContact O-N 3.44Å |
| 134 | G | 90.8 | Very high | 93.4 | Very high | 47 Ų | 47 | 115.4 Ų | 115.4 | 49% | 0.485 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 68.2 | 19.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | L118 E121 K132 S136 | L118-G134 VanDerWaalsContact CD2-CA 3.42Å; E121-G134 PolarHBondContact OE1-N 2.88Å; K132-G134 PolarHBondContact O-N 3.22Å; G134-S136 PolarHBondContact O-N 2.87Å |
| 135 | E | 92.1 | Very high | 93.4 | Very high | 114 Ų | 114 | 115.5 Ų | 115.5 | 53% | 0.533 | 61% | 0.613 | S | S | . | * | trans | -67.4 | 128.6 | 170.4 | 178.4 | 161 | -134.2 | 0 | 0 | 110.7 | K132 V133 V137 | K132-E135 HydrophobicContact CB-CB 3.86Å; K132-E135 WeakPolarHBondContact CD-OE2 3.43Å; K132-E135 IonicContact NZ-OE1 2.72Å; K132-E135 PolarHBondContact NZ-OE1 3Å; K132-E135 IonicContact NZ-OE2 2.64Å; K132-E135 PolarHBondContact NZ-OE2 2.85Å; K132-E135 PolarHBondContact O-N 2.97Å; V133-E135 VanDerWaalsContact C-N 3.29Å; V133-E135 PolarHBondContact O-N 3.44Å; E135-V137 PolarHBondContact O-N 3.44Å | ||
| 136 | S | 91.8 | Very high | 93.4 | Very high | 79 Ų | 79 | 113.9 Ų | 113.9 | 55% | 0.552 | 61% | 0.607 | S | S | * | * | trans | -72 | 126.2 | -178.8 | 56.8 | 0 | 0 | 0 | 0 | 111.5 | G134 F138 | G134-S136 PolarHBondContact O-N 2.87Å; S136-F138 PolarHBondContact O-N 3.27Å; S136-F138 PolarHBondContact OG-O 3.34Å | ||
| 137 | V | 92.4 | Very high | 93.4 | Very high | 132 Ų | 132 | 112.2 Ų | 112.2 | 80% | 0.8 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -60.9 | -27.1 | 174 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | E135 | E135-V137 PolarHBondContact O-N 3.44Š|
| 138 | F | 94.1 | Very high | 93.3 | Very high | 111 Ų | 111 | 107.6 Ų | 107.6 | 49% | 0.487 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -85.3 | 142.6 | 178.1 | -55.8 | -73.8 | 0 | 0 | 0 | 112.1 | S136 T140 V144 | S136-F138 PolarHBondContact O-N 3.27Å; S136-F138 PolarHBondContact OG-O 3.34Å; F138-T140 PolarHBondContact O-N 3Å; F138-V144 HydrophobicContact CD2-CB 4.17Å; F138-V144 HydrophobicContact CD2-CG1 4.35Å; F138-V144 HydrophobicContact CD2-CG2 3.75Å; F138-V144 HydrophobicContact CE2-CB 4.03Å; F138-V144 HydrophobicContact CE2-CG1 3.76Å; F138-V144 HydrophobicContact CE2-CG2 4.02Å; F138-V144 HydrophobicContact CG-CG2 4.24Å; F138-V144 HydrophobicContact CZ-CG1 4.14Å |
| 139 | H | 94.2 | Very high | 93.2 | Very high | 196 Ų | 196 | 107.9 Ų | 107.9 | 91% | 0.907 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -77.3 | 22.4 | 175.6 | -52.1 | -47.1 | 0 | 0 | 0 | 114.1 | ||
| 140 | T | 95 | Very high | 93.1 | Very high | 74 Ų | 74 | 106.2 Ų | 106.2 | 45% | 0.454 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -131.6 | 131.9 | -173.1 | 59.9 | 0 | 0 | 0 | 0 | 111.4 | F138 R142 | F138-T140 PolarHBondContact O-N 3Å; T140-R142 PolarHBondContact O-N 3.5Å |
| 141 | D | 93.4 | Very high | 93.3 | Very high | 182 Ų | 182 | 103 Ų | 103 | 97% | 0.973 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -69.8 | 4.3 | 175.4 | -46.1 | -52.4 | 0 | 0 | 0 | 113.9 | ||
| 142 | R | 95.6 | Very high | 93.3 | Very high | 207 Ų | 207 | 97.1 Ų | 97.1 | 78% | 0.781 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -77.4 | 134.9 | 177.7 | 177.2 | 179.9 | -69.3 | -156.2 | -0.4 | 109.8 | T140 V144 | T140-R142 PolarHBondContact O-N 3.5Å; R142-V144 PolarHBondContact O-N 2.87Å |
| 143 | W | 93.9 | Very high | 93.2 | Very high | 163 Ų | 163 | 95.1 Ų | 95.1 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | trans | -55.1 | 123.3 | 167.3 | 179.8 | -107.1 | 0 | 0 | 0 | 112.2 | L111 L114 | L111-W143 HydrophobicContact CD2-CH2 4.13Å; L114-W143 HydrophobicContact CD1-CH2 3.51Å; L114-W143 HydrophobicContact CD1-CZ2 4.14Å | ||
| 144 | V | 94 | Very high | 93.2 | Very high | 59 Ų | 59 | 95.5 Ų | 95.5 | 36% | 0.358 | 51% | 0.507 | S | S | . | . | trans | -107.5 | 130.4 | 171.2 | -177.8 | 0 | 0 | 0 | 0 | 107.7 | F138 R142 | F138-V144 HydrophobicContact CD2-CB 4.17Å; F138-V144 HydrophobicContact CD2-CG1 4.35Å; F138-V144 HydrophobicContact CD2-CG2 3.75Å; F138-V144 HydrophobicContact CE2-CB 4.03Å; F138-V144 HydrophobicContact CE2-CG1 3.76Å; F138-V144 HydrophobicContact CE2-CG2 4.02Å; F138-V144 HydrophobicContact CG-CG2 4.24Å; F138-V144 HydrophobicContact CZ-CG1 4.14Å; R142-V144 PolarHBondContact O-N 2.87Å | ||
| 145 | P | 93.9 | Very high | 93.2 | Very high | 97 Ų | 97 | 97.7 Ų | 97.7 | 63% | 0.63 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -64 | 132.6 | 176.6 | 27 | -34.1 | 0 | 0 | 0 | 110 | ||
| 146 | P | 94.3 | Very high | 93.4 | Very high | 30 Ų | 30 | 96 Ų | 96 | 20% | 0.195 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 149.9 | -175.1 | 31.6 | -39.3 | 0 | 0 | 0 | 111.9 | L114 E150 L151 | L114-P146 HydrophobicContact CD1-CB 4.39Å; L114-P146 HydrophobicContact CD1-CG 4.07Å; L114-P146 HydrophobicContact CD2-CB 4.08Å; L114-P146 HydrophobicContact CD2-CG 4.45Å; P146-E150 WeakPolarHBondContact CA-OE2 3.11Å; P146-E150 HydrophobicContact CB-CB 4.48Å; P146-E150 WeakPolarHBondContact CB-OE2 3.45Å; P146-L151 HydrophobicContact CB-CD2 4.19Å; P146-L151 HydrophobicContact CB-CG 4.06Å; P146-L151 HydrophobicContact CG-CD1 3.96Å; P146-L151 HydrophobicContact CG-CD2 3.86Å; P146-L151 HydrophobicContact CG-CG 3.92Å |
| 147 | L | 93.1 | Very high | 93.4 | Very high | 108 Ų | 108 | 101.7 Ų | 101.7 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 157.8 | 174.1 | -64.1 | 173 | 0 | 0 | 0 | 111.3 | D149 E150 L151 | L147-D149 PolarHBondContact O-N 3.44Å; L147-E150 HydrophobicContact CB-CB 4.44Å; L147-E150 HydrophobicContact CB-CG 4.07Å; L147-E150 PolarHBondContact N-OE2 3.47Å; L147-E150 PolarHBondContact O-N 3.07Å; L147-L151 PolarHBondContact O-N 3.29Å; L147-L151 VanDerWaalsContact O-N 3.17Å |
| 148 | S | 92.1 | Very high | 93.5 | Very high | 53 Ų | 53 | 103 Ų | 103 | 37% | 0.371 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -54.3 | -35.4 | 170.8 | 48.5 | 0 | 0 | 0 | 0 | 112.3 | F152 | S148-F152 WeakPolarHBondContact O-CB 3.46Å; S148-F152 WeakPolarHBondContact O-CD2 3.35Å; S148-F152 PolarHBondContact O-N 3.4Å; S148-F152 VanDerWaalsContact O-N 3.13Å |
| 149 | D | 91.8 | Very high | 93.4 | Very high | 76 Ų | 76 | 101.8 Ų | 101.8 | 41% | 0.406 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -75.9 | -36.4 | -174.6 | -63.2 | 26.1 | 0 | 0 | 0 | 110.3 | L147 S153 Y160 | L147-D149 PolarHBondContact O-N 3.44Å; D149-S153 WeakPolarHBondContact O-CA 3.3Å; D149-S153 WeakPolarHBondContact O-CB 3.36Å; D149-S153 PolarHBondContact O-N 3.01Å; D149-Y160 HydrophobicContact CB-CE2 4.35Å; D149-Y160 WeakPolarHBondContact OD1-CE2 3.48Å; D149-Y160 PolarHBondContact OD1-OH 3.46Å; D149-Y160 PolarHBondContact OD2-OH 2.87Å; D149-Y160 VanDerWaalsContact OD2-OH 3.14Å |
| 150 | E | 92.3 | Very high | 93.3 | Very high | 89 Ų | 89 | 94.2 Ų | 94.2 | 42% | 0.416 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.3 | -35.6 | 174.5 | -67.6 | 165.7 | 178.8 | 0 | 0 | 112.6 | N117 P146 L147 | N117-E150 PolarHBondContact ND2-O 2.91Å; P146-E150 WeakPolarHBondContact CA-OE2 3.11Å; P146-E150 HydrophobicContact CB-CB 4.48Å; P146-E150 WeakPolarHBondContact CB-OE2 3.45Å; L147-E150 HydrophobicContact CB-CB 4.44Å; L147-E150 HydrophobicContact CB-CG 4.07Å; L147-E150 PolarHBondContact N-OE2 3.47Å; L147-E150 PolarHBondContact O-N 3.07Å |
| 151 | L | 94.5 | Very high | 93.3 | Very high | 15 Ų | 15 | 93 Ų | 93 | 8% | 0.079 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -76.8 | -34.7 | 178.9 | -71.3 | 175 | 0 | 0 | 0 | 113.5 | T110 M113 L114 N117 P146 L147 | T110-L151 HydrophobicContact CG2-CD1 4.48Å; M113-L151 HydrophobicContact CB-CD2 4.13Å; M113-L151 HydrophobicContact CE-CD1 4.14Å; M113-L151 HydrophobicContact CE-CD2 4.18Å; L114-L151 HydrophobicContact CD2-CD2 3.73Å; L114-L151 HydrophobicContact CG-CD2 3.72Å; N117-L151 PolarHBondContact ND2-O 2.96Å; N117-L151 VanDerWaalsContact ND2-O 3.13Å; P146-L151 HydrophobicContact CB-CD2 4.19Å; P146-L151 HydrophobicContact CB-CG 4.06Å; P146-L151 HydrophobicContact CG-CD1 3.96Å; P146-L151 HydrophobicContact CG-CD2 3.86Å; P146-L151 HydrophobicContact CG-CG 3.92Å; L147-L151 PolarHBondContact O-N 3.29Å; L147-L151 VanDerWaalsContact O-N 3.17Å |
| 152 | F | 95.1 | Very high | 93.3 | Very high | 17 Ų | 17 | 90.4 Ų | 90.4 | 8% | 0.075 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -116.2 | 6.5 | -168.8 | -70.5 | -83.1 | 0 | 0 | 0 | 114.6 | M113 S148 L154 R155 Q159 Y160 K163 | M113-F152 HydrophobicContact CE-CZ 4.31Å; M113-F152 HydrophobicContact SD-CE1 4.3Å; M113-F152 HydrophobicContact SD-CZ 3.92Å; S148-F152 WeakPolarHBondContact O-CB 3.46Å; S148-F152 WeakPolarHBondContact O-CD2 3.35Å; S148-F152 PolarHBondContact O-N 3.4Å; S148-F152 VanDerWaalsContact O-N 3.13Å; F152-L154 PolarHBondContact O-N 2.99Å; F152-R155 HydrophobicContact CD1-CB 4.19Å; F152-R155 HydrophobicContact CD1-CG 4.06Å; F152-R155 PolarHBondContact O-N 2.66Å; F152-R155 VanDerWaalsContact O-N 3.16Å; F152-Q159 HydrophobicContact CD1-CB 4.43Å; F152-Y160 HydrophobicContact CB-CD2 3.92Å; F152-K163 HydrophobicContact CD1-CG 4.45Å; F152-K163 HydrophobicContact CD2-CB 4.45Å; F152-K163 HydrophobicContact CD2-CG 4.35Å; F152-K163 HydrophobicContact CE1-CG 3.94Å; F152-K163 HydrophobicContact CE2-CB 4.28Å; F152-K163 HydrophobicContact CE2-CD 4.11Å; F152-K163 HydrophobicContact CE2-CG 3.83Å; F152-K163 HydrophobicContact CZ-CD 3.85Å; F152-K163 HydrophobicContact CZ-CG 3.62Å |
| 153 | S | 90.4 | Very high | 93.1 | Very high | 81 Ų | 81 | 86 Ų | 86 | 57% | 0.566 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -44.5 | 178.8 | 49.5 | 0 | 0 | 0 | 0 | 114.3 | D149 R155 | D149-S153 WeakPolarHBondContact O-CA 3.3Å; D149-S153 WeakPolarHBondContact O-CB 3.36Å; D149-S153 PolarHBondContact O-N 3.01Å; S153-R155 VanDerWaalsContact C-N 3.34Å |
| 154 | L | 91.8 | Very high | 93 | Very high | 76 Ų | 76 | 84.8 Ų | 84.8 | 40% | 0.398 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -8.7 | -178.6 | -55.3 | 176.9 | 0 | 0 | 0 | 112.8 | N117 E120 F152 | N117-L154 HydrophobicContact CB-CD1 4.14Å; E120-L154 HydrophobicContact CB-CD1 3.78Å; E120-L154 WeakPolarHBondContact OE2-CD1 3.27Å; F152-L154 PolarHBondContact O-N 2.99Å |
| 155 | R | 92.6 | Very high | 93 | Very high | 93 Ų | 93 | 85.1 Ų | 85.1 | 35% | 0.351 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -87.2 | 158.5 | -178.3 | -63.3 | -67.9 | -171.6 | 161.8 | 1 | 111.1 | E116 F152 S153 R157 | E116-R155 IonicContact OE1-NH2 3.1Å; E116-R155 IonicContact OE2-CZ 2.75Å; E116-R155 IonicContact OE2-NH2 2.69Å; E116-R155 PolarHBondContact OE2-NH2 3.43Å; F152-R155 HydrophobicContact CD1-CB 4.19Å; F152-R155 HydrophobicContact CD1-CG 4.06Å; F152-R155 PolarHBondContact O-N 2.66Å; F152-R155 VanDerWaalsContact O-N 3.16Å; S153-R155 VanDerWaalsContact C-N 3.34Å; R155-R157 PolarHBondContact O-N 3.17Å |
| 156 | P | 95.7 | Very high | 93.1 | Very high | 79 Ų | 79 | 81.3 Ų | 81.3 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | trans | -54.5 | 137.7 | 174.6 | -26.5 | 34.9 | 0 | 0 | 0 | 112.6 | E158 Q159 Y160 | P156-E158 PolarHBondContact O-N 2.96Å; P156-Q159 WeakPolarHBondContact O-CB 3.08Å; P156-Q159 PolarHBondContact O-N 3.22Å; P156-Y160 PolarHBondContact O-N 2.87Å | ||
| 157 | R | 92.2 | Very high | 93.1 | Very high | 198 Ų | 198 | 88.1 Ų | 88.1 | 75% | 0.747 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -51.3 | -31.9 | -176.2 | -174.3 | 179 | -178.5 | -175.3 | 1.5 | 114 | R155 Y160 L161 | R155-R157 PolarHBondContact O-N 3.17Å; R157-Y160 WeakPolarHBondContact O-CB 3.43Å; R157-Y160 PolarHBondContact O-N 3.36Å; R157-L161 HydrophobicContact CG-CD1 4.02Å; R157-L161 HydrophobicContact CG-CG 4.23Å; R157-L161 WeakPolarHBondContact O-CB 3.25Å; R157-L161 VanDerWaalsContact O-CG 3.31Å; R157-L161 WeakPolarHBondContact O-CG 3.32Å; R157-L161 PolarHBondContact O-N 3.22Å |
| 158 | E | 92.8 | Very high | 93.1 | Very high | 160 Ų | 160 | 88.6 Ų | 88.6 | 75% | 0.748 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -58.4 | -45.5 | 174.7 | -174.3 | -175.8 | 173.5 | 0 | 0 | 112.4 | P156 Y160 L161 H162 | P156-E158 PolarHBondContact O-N 2.96Å; E158-Y160 VanDerWaalsContact C-N 3.35Å; E158-Y160 PolarHBondContact O-N 3.07Å; E158-L161 PolarHBondContact O-N 3.01Å; E158-H162 WeakPolarHBondContact O-CB 3.39Å; E158-H162 PolarHBondContact O-N 3.32Å |
| 159 | Q | 93.1 | Very high | 93.2 | Very high | 85 Ų | 85 | 94.2 Ų | 94.2 | 40% | 0.397 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.5 | -40.7 | 179.8 | -59.4 | -175.1 | 9 | 0 | 0 | 111.1 | F152 P156 K163 | F152-Q159 HydrophobicContact CD1-CB 4.43Å; P156-Q159 WeakPolarHBondContact O-CB 3.08Å; P156-Q159 PolarHBondContact O-N 3.22Å; Q159-K163 WeakPolarHBondContact O-CB 3.29Å; Q159-K163 VanDerWaalsContact O-CG 3.24Å; Q159-K163 WeakPolarHBondContact O-CG 3.15Å; Q159-K163 PolarHBondContact O-N 2.85Å |
| 160 | Y | 92.8 | Very high | 93.2 | Very high | 37 Ų | 37 | 100 Ų | 100 | 15% | 0.145 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -59.2 | -52.1 | 173.2 | 175.8 | -97.6 | 0 | 0 | 0 | 111.8 | D149 F152 P156 R157 E158 H162 K163 R164 | D149-Y160 HydrophobicContact CB-CE2 4.35Å; D149-Y160 WeakPolarHBondContact OD1-CE2 3.48Å; D149-Y160 PolarHBondContact OD1-OH 3.46Å; D149-Y160 PolarHBondContact OD2-OH 2.87Å; D149-Y160 VanDerWaalsContact OD2-OH 3.14Å; F152-Y160 HydrophobicContact CB-CD2 3.92Å; P156-Y160 PolarHBondContact O-N 2.87Å; R157-Y160 WeakPolarHBondContact O-CB 3.43Å; R157-Y160 PolarHBondContact O-N 3.36Å; E158-Y160 VanDerWaalsContact C-N 3.35Å; E158-Y160 PolarHBondContact O-N 3.07Å; Y160-H162 PolarHBondContact O-N 2.88Å; Y160-K163 PolarHBondContact O-N 3.31Å; Y160-K163 VanDerWaalsContact O-N 3.15Å; Y160-R164 WeakPolarHBondContact O-CB 3.45Å; Y160-R164 PolarHBondContact O-N 3.24Å; Y160-R164 WeakPolarHBondContact OH-CD 3.42Å; Y160-R164 PolarHBondContact OH-NH1 3.35Å |
| 161 | L | 93.8 | Very high | 92.6 | Very high | 49 Ų | 49 | 103.2 Ų | 103.2 | 26% | 0.257 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 179.9 | -72 | 174.4 | 0 | 0 | 0 | 111.8 | R157 E158 K163 R164 F165 W169 | R157-L161 HydrophobicContact CG-CD1 4.02Å; R157-L161 HydrophobicContact CG-CG 4.23Å; R157-L161 WeakPolarHBondContact O-CB 3.25Å; R157-L161 VanDerWaalsContact O-CG 3.31Å; R157-L161 WeakPolarHBondContact O-CG 3.32Å; R157-L161 PolarHBondContact O-N 3.22Å; E158-L161 PolarHBondContact O-N 3.01Å; L161-K163 VanDerWaalsContact C-N 3.29Å; L161-K163 PolarHBondContact O-N 3.08Å; L161-R164 PolarHBondContact O-N 2.92Å; L161-F165 HydrophobicContact CD2-CD2 3.96Å; L161-F165 HydrophobicContact CD2-CE2 3.96Å; L161-F165 PolarHBondContact O-N 3.17Å; L161-W169 HydrophobicContact CB-CH2 4.2Å; L161-W169 HydrophobicContact CB-CZ3 4.47Å |
| 162 | H | 93.4 | Very high | 92.5 | Very high | 127 Ų | 127 | 107.7 Ų | 107.7 | 59% | 0.588 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.3 | -37.3 | 175 | -176.4 | -64.1 | 0 | 0 | 0 | 111.8 | E158 Y160 G166 | E158-H162 WeakPolarHBondContact O-CB 3.39Å; E158-H162 PolarHBondContact O-N 3.32Å; Y160-H162 PolarHBondContact O-N 2.88Å; H162-G166 WeakPolarHBondContact O-CA 3.43Å; H162-G166 PolarHBondContact O-N 3.31Å |
| 163 | K | 92.3 | Very high | 92.4 | Very high | 114 Ų | 114 | 112.4 Ų | 112.4 | 50% | 0.496 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.5 | -35.9 | 177.8 | -75.2 | -76.8 | 170.2 | -168.4 | 0 | 113.1 | F152 Q159 Y160 L161 | F152-K163 HydrophobicContact CD1-CG 4.45Å; F152-K163 HydrophobicContact CD2-CB 4.45Å; F152-K163 HydrophobicContact CD2-CG 4.35Å; F152-K163 HydrophobicContact CE1-CG 3.94Å; F152-K163 HydrophobicContact CE2-CB 4.28Å; F152-K163 HydrophobicContact CE2-CD 4.11Å; F152-K163 HydrophobicContact CE2-CG 3.83Å; F152-K163 HydrophobicContact CZ-CD 3.85Å; F152-K163 HydrophobicContact CZ-CG 3.62Å; Q159-K163 WeakPolarHBondContact O-CB 3.29Å; Q159-K163 VanDerWaalsContact O-CG 3.24Å; Q159-K163 WeakPolarHBondContact O-CG 3.15Å; Q159-K163 PolarHBondContact O-N 2.85Å; Y160-K163 PolarHBondContact O-N 3.31Å; Y160-K163 VanDerWaalsContact O-N 3.15Å; L161-K163 VanDerWaalsContact C-N 3.29Å; L161-K163 PolarHBondContact O-N 3.08Å |
| 164 | R | 91.9 | Very high | 92.5 | Very high | 138 Ų | 138 | 114.2 Ų | 114.2 | 52% | 0.521 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -81.2 | -38.1 | -179.2 | -177.7 | 170.7 | 169.1 | 168.4 | -0.9 | 113.8 | Y160 L161 | Y160-R164 WeakPolarHBondContact O-CB 3.45Å; Y160-R164 PolarHBondContact O-N 3.24Å; Y160-R164 WeakPolarHBondContact OH-CD 3.42Å; Y160-R164 PolarHBondContact OH-NH1 3.35Å; L161-R164 PolarHBondContact O-N 2.92Å |
| 165 | F | 94.4 | Very high | 92.5 | Very high | 66 Ų | 66 | 116.4 Ų | 116.4 | 29% | 0.289 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -122 | -10.2 | -171.6 | -60.2 | -67.2 | 0 | 0 | 0 | 114.8 | L161 F167 L168 W169 | L161-F165 HydrophobicContact CD2-CD2 3.96Å; L161-F165 HydrophobicContact CD2-CE2 3.96Å; L161-F165 PolarHBondContact O-N 3.17Å; F165-F167 VanDerWaalsContact C-N 3.26Å; F165-F167 PolarHBondContact O-N 3.07Å; F165-F167 VanDerWaalsContact O-N 3.15Å; F165-L168 WeakPolarHBondContact O-CA 3.47Å; F165-L168 WeakPolarHBondContact O-CB 3.19Å; F165-L168 PolarHBondContact O-N 3.21Å; F165-W169 HydrophobicContact CB-CD2 3.89Å; F165-W169 HydrophobicContact CB-CE3 4.17Å; F165-W169 HydrophobicContact CB-CH2 4.04Å; F165-W169 HydrophobicContact CB-CZ2 3.73Å; F165-W169 HydrophobicContact CB-CZ3 4.24Å; F165-W169 HydrophobicContact CD2-CH2 4.4Å; F165-W169 HydrophobicContact CD2-CZ2 4.22Å; F165-W169 HydrophobicContact CG-CZ2 4.17Å; F165-W169 PolarHBondContact O-N 3.06Å |
| 166 | G | 94.8 | Very high | 92.5 | Very high | 16 Ų | 16 | 117.9 Ų | 117.9 | 17% | 0.165 | 54% | 0.539 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -31.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | H162 Y170 | H162-G166 WeakPolarHBondContact O-CA 3.43Å; H162-G166 PolarHBondContact O-N 3.31Å; G166-Y170 WeakPolarHBondContact O-CB 3.43Å; G166-Y170 PolarHBondContact O-N 2.81Å |
| 167 | F | 93.9 | Very high | 92.3 | Very high | 173 Ų | 173 | 120.5 Ų | 120.5 | 76% | 0.759 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -40 | 172.3 | 178.8 | -104 | 0 | 0 | 0 | 112.5 | F165 Y170 V171 | F165-F167 VanDerWaalsContact C-N 3.26Å; F165-F167 PolarHBondContact O-N 3.07Å; F165-F167 VanDerWaalsContact O-N 3.15Å; F167-Y170 PolarHBondContact O-N 3.26Å; F167-V171 HydrophobicContact CE2-CG2 4.49Å; F167-V171 HydrophobicContact CZ-CG2 4.36Å |
| 168 | L | 94.6 | Very high | 92.3 | Very high | 119 Ų | 119 | 114.9 Ų | 114.9 | 62% | 0.623 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -30.3 | 179.1 | -178.8 | 62.9 | 0 | 0 | 0 | 112.3 | F165 Y170 | F165-L168 WeakPolarHBondContact O-CA 3.47Å; F165-L168 WeakPolarHBondContact O-CB 3.19Å; F165-L168 PolarHBondContact O-N 3.21Å; L168-Y170 VanDerWaalsContact C-N 3.34Å |
| 169 | W | 92.8 | Very high | 92.3 | Very high | 170 Ų | 170 | 111.5 Ų | 111.5 | 64% | 0.644 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -10 | 175.9 | -64.5 | -24.3 | 0 | 0 | 0 | 114.2 | L161 F165 | L161-W169 HydrophobicContact CB-CH2 4.2Å; L161-W169 HydrophobicContact CB-CZ3 4.47Å; F165-W169 HydrophobicContact CB-CD2 3.89Å; F165-W169 HydrophobicContact CB-CE3 4.17Å; F165-W169 HydrophobicContact CB-CH2 4.04Å; F165-W169 HydrophobicContact CB-CZ2 3.73Å; F165-W169 HydrophobicContact CB-CZ3 4.24Å; F165-W169 HydrophobicContact CD2-CH2 4.4Å; F165-W169 HydrophobicContact CD2-CZ2 4.22Å; F165-W169 HydrophobicContact CG-CZ2 4.17Å; F165-W169 PolarHBondContact O-N 3.06Å |
| 170 | Y | 91.8 | Very high | 92.2 | Very high | 199 Ų | 199 | 113.7 Ų | 113.7 | 78% | 0.78 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -18.3 | 179.1 | -179.8 | -97.2 | 0 | 0 | 0 | 113.3 | G166 F167 L168 | G166-Y170 WeakPolarHBondContact O-CB 3.43Å; G166-Y170 PolarHBondContact O-N 2.81Å; F167-Y170 PolarHBondContact O-N 3.26Å; L168-Y170 VanDerWaalsContact C-N 3.34Å |
| 171 | V | 80.4 | Confident | 92.2 | Very high | 156 Ų | 156 | 120.6 Ų | 120.6 | 95% | 0.945 | 55% | 0.552 | S | S | * | * | trans | -99.6 | 0 | -177.6 | 179 | 0 | 0 | 0 | 0 | 110.8 | F167 | F167-V171 HydrophobicContact CE2-CG2 4.49Å; F167-V171 HydrophobicContact CZ-CG2 4.36Å |
Retrieved 171 of 171 residues in 48.6 ms
(Link to these results)