| 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 | 44.7 | Very low | 42.5 | Very low | 244 Ų | 244 | 128.2 Ų | 128.2 | 100% | 1.202 | 87% | 0.872 | S | S | * | * | 0 | 104.6 | 0 | -68.2 | 169.2 | 172.5 | 0 | 0 | 105 | |||||
| 2 | T | 45.5 | Very low | 41.7 | Very low | 146 Ų | 146 | 124.2 Ų | 124.2 | 90% | 0.896 | 87% | 0.868 | S | S | * | * | cis | -139.5 | 157.8 | 39.9 | 33.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 3 | L | 46.8 | Very low | 41.6 | Very low | 163 Ų | 163 | 123.8 Ų | 123.8 | 85% | 0.853 | 87% | 0.865 | S | S | * | * | trans | -100.9 | 160.7 | -176.3 | -71 | 159.5 | 0 | 0 | 0 | 111.3 | ||||
| 4 | N | 42.9 | Very low | 41.5 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 89% | 0.888 | 87% | 0.871 | S | S | * | * | trans | 138.4 | 134.7 | 147.5 | -77.9 | -7 | 0 | 0 | 0 | 108.9 | ||||
| 5 | G | 39.3 | Very low | 41 | Very low | 75 Ų | 75 | 129.5 Ų | 129.5 | 77% | 0.773 | 87% | 0.869 | S | S | * | * | cis | 173.2 | 132.6 | 6.1 | 0 | 0 | 0 | 0 | 0 | 102.5 | ||||
| 6 | G | 40.8 | Very low | 40.7 | Very low | 81 Ų | 81 | 126.8 Ų | 126.8 | 84% | 0.835 | 87% | 0.871 | S | S | * | * | 108 | 120.9 | 79.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 7 | D | 43.7 | Very low | 40.4 | Very low | 159 Ų | 159 | 124 Ų | 124 | 85% | 0.85 | 87% | 0.868 | S | S | * | * | trans | 120.3 | 136.4 | 139.6 | -142.4 | 16.3 | 0 | 0 | 0 | 119.1 | ||||
| 8 | S | 48.9 | Very low | 40.6 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 74% | 0.741 | 87% | 0.872 | S | S | * | * | trans | -90.2 | 168.2 | -168.4 | 2.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 9 | G | 37 | Very low | 40.6 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 80% | 0.804 | 87% | 0.871 | S | S | * | * | trans | 145.9 | 106.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 10 | A | 43.1 | Very low | 40.7 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 93% | 0.926 | 88% | 0.875 | S | S | * | * | trans | -69.9 | 158.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 11 | G | 34.7 | Very low | 40.6 | Very low | 80 Ų | 80 | 139.3 Ų | 139.3 | 83% | 0.825 | 86% | 0.863 | S | S | * | * | trans | 146 | 118.3 | 150.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 12 | G | 33.2 | Very low | 40.4 | Very low | 80 Ų | 80 | 139.6 Ų | 139.6 | 83% | 0.825 | 85% | 0.851 | S | S | * | * | 91.5 | 88.1 | 124.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 13 | S | 39.9 | Very low | 40.1 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 83% | 0.832 | 85% | 0.845 | S | S | * | * | 29.4 | 128.9 | 126.8 | -157.5 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 14 | R | 40.8 | Very low | 39.9 | Very low | 251 Ų | 251 | 145.2 Ų | 145.2 | 95% | 0.947 | 84% | 0.844 | S | S | * | * | trans | 161 | 136.9 | 137 | -90.1 | 166.8 | 174.7 | -156.9 | -1.3 | 107.2 | ||||
| 15 | G | 34.3 | Very low | 39.4 | Very low | 82 Ų | 82 | 140.9 Ų | 140.9 | 85% | 0.845 | 84% | 0.839 | S | S | * | * | cis | 148.9 | 134.4 | 13 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 16 | G | 35.4 | Very low | 39.4 | Very low | 87 Ų | 87 | 141.8 Ų | 141.8 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | trans | 153.8 | 85.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 17 | G | 36.6 | Very low | 39.6 | Very low | 79 Ų | 79 | 144.3 Ų | 144.3 | 81% | 0.814 | 83% | 0.833 | S | S | * | * | trans | -167.7 | 72.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 18 | R | 42.7 | Very low | 39.5 | Very low | 249 Ų | 249 | 142.6 Ų | 142.6 | 94% | 0.94 | 83% | 0.83 | S | S | * | * | trans | -3.5 | 120.6 | 168.8 | -65.5 | 175.7 | -177.7 | -178.7 | -0.3 | 118.8 | ||||
| 19 | E | 41.8 | Very low | 39.2 | Very low | 185 Ų | 185 | 150.2 Ų | 150.2 | 86% | 0.864 | 84% | 0.843 | S | S | * | * | trans | -63.4 | 128.1 | 163.6 | -172.8 | 168.7 | -164.6 | 0 | 0 | 112.3 | ||||
| 20 | R | 41.8 | Very low | 39.6 | Very low | 247 Ų | 247 | 149.1 Ų | 149.1 | 93% | 0.932 | 83% | 0.832 | S | S | * | * | trans | -132.2 | 111.6 | 151.9 | -91.1 | -170.2 | 178.2 | -122.1 | 0.6 | 109.4 | ||||
| 21 | E | 39.4 | Very low | 39.7 | Very low | 136 Ų | 136 | 150.2 Ų | 150.2 | 64% | 0.636 | 83% | 0.829 | S | S | * | * | trans | -51.1 | 122.3 | 178.2 | -170.1 | 173.2 | -172 | 0 | 0 | 113.5 | R23 | E21-R23 HydrophobicContact CG-CG 4.1Å; E21-R23 IonicContact OE1-CZ 3.6Å; E21-R23 IonicContact OE1-NE 3.19Å; E21-R23 PolarHBondContact OE1-NE 2.85Å; E21-R23 IonicContact OE1-NH2 2.73Å; E21-R23 PolarHBondContact OE1-NH2 2.9Å | ||
| 22 | R | 39.2 | Very low | 40.2 | Very low | 251 Ų | 251 | 150.5 Ų | 150.5 | 95% | 0.947 | 82% | 0.824 | S | S | * | * | trans | -97.7 | 103.3 | 160.8 | -77.3 | -175.9 | 165.3 | -152.1 | -2.9 | 108.2 | ||||
| 23 | R | 40.7 | Very low | 40.5 | Very low | 203 Ų | 203 | 152.1 Ų | 152.1 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | trans | -90.3 | 115.2 | 161.3 | -76.4 | -175.7 | 178.8 | -139.4 | -1.4 | 108 | E21 | E21-R23 HydrophobicContact CG-CG 4.1Å; E21-R23 IonicContact OE1-CZ 3.6Å; E21-R23 IonicContact OE1-NE 3.19Å; E21-R23 PolarHBondContact OE1-NE 2.85Å; E21-R23 IonicContact OE1-NH2 2.73Å; E21-R23 PolarHBondContact OE1-NH2 2.9Å | ||
| 24 | R | 42.2 | Very low | 40.4 | Very low | 223 Ų | 223 | 151.5 Ų | 151.5 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | 86 | 95.5 | 84.9 | -164.5 | -176.6 | -100.7 | -99.8 | 7.3 | 110.8 | |||||
| 25 | G | 32.6 | Very low | 40.5 | Very low | 75 Ų | 75 | 147.6 Ų | 147.6 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -142.8 | 76.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 26 | S | 38.9 | Very low | 40.6 | Very low | 94 Ų | 94 | 151.5 Ų | 151.5 | 66% | 0.657 | 81% | 0.806 | S | S | * | * | trans | -82.9 | 110.7 | 175.3 | 38.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 27 | T | 45.1 | Very low | 41 | Very low | 135 Ų | 135 | 155.9 Ų | 155.9 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | trans | -91.7 | 122.3 | 159.3 | -12.3 | 0 | 0 | 0 | 0 | 106.9 | W29 | T27-W29 PolarHBondContact O-N 2.96Š| ||
| 28 | P | 41.4 | Very low | 41.1 | Very low | 122 Ų | 122 | 160.9 Ų | 160.9 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -77.1 | 114.4 | 177.2 | 29.3 | -28.3 | 0 | 0 | 0 | 108.4 | G30 | P28-G30 PolarHBondContact O-N 3.36Å; P28-G30 VanDerWaalsContact O-N 3.17Å | ||
| 29 | W | 42.7 | Very low | 40.8 | Very low | 266 Ų | 266 | 153 Ų | 153 | 100% | 1.008 | 77% | 0.773 | S | S | * | * | trans | -62.7 | 114.9 | 160.5 | -107 | -46.1 | 0 | 0 | 0 | 107.1 | T27 | T27-W29 PolarHBondContact O-N 2.96Š| ||
| 30 | G | 45.1 | Very low | 40.5 | Very low | 56 Ų | 56 | 150.2 Ų | 150.2 | 58% | 0.577 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 160.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P28 A32 | P28-G30 PolarHBondContact O-N 3.36Å; P28-G30 VanDerWaalsContact O-N 3.17Å; G30-A32 PolarHBondContact O-N 3.09Å |
| 31 | P | 44.6 | Very low | 40.4 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 87% | 0.87 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 133.2 | -179.7 | 26.1 | -32.3 | 0 | 0 | 0 | 110 | ||
| 32 | A | 45.7 | Very low | 40.9 | Very low | 87 Ų | 87 | 141.9 Ų | 141.9 | 72% | 0.719 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 142.5 | 169 | 0 | 0 | 0 | 0 | 0 | 109.6 | G30 | G30-A32 PolarHBondContact O-N 3.09Š|
| 33 | P | 39.5 | Very low | 41.1 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 74% | 0.74 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 145.3 | 177.1 | 26.7 | -31.8 | 0 | 0 | 0 | 109.6 | L35 | P33-L35 PolarHBondContact O-N 3.1Å; P33-L35 VanDerWaalsContact O-N 3.15Å |
| 34 | P | 38.2 | Very low | 41.3 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 69% | 0.688 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 117.9 | -177 | 26.4 | -31.3 | 0 | 0 | 0 | 109.2 | H36 | P34-H36 PolarHBondContact O-N 3.17Å; P34-H36 VanDerWaalsContact O-N 3.08Å |
| 35 | L | 42.3 | Very low | 41.4 | Very low | 169 Ų | 169 | 127.4 Ų | 127.4 | 89% | 0.885 | 71% | 0.706 | S | S | * | * | trans | -56.9 | 115.7 | 160.9 | -69.2 | 172.6 | 0 | 0 | 0 | 106.7 | P33 R37 | P33-L35 PolarHBondContact O-N 3.1Å; P33-L35 VanDerWaalsContact O-N 3.15Å; L35-R37 PolarHBondContact O-N 3.31Å | ||
| 36 | H | 37.2 | Very low | 42.3 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | trans | -68.7 | 85.7 | 176.9 | -88.1 | -5.2 | 0 | 0 | 0 | 109.6 | P34 R38 | P34-H36 PolarHBondContact O-N 3.17Å; P34-H36 VanDerWaalsContact O-N 3.08Å; H36-R38 VanDerWaalsContact C-N 3.29Å; H36-R38 PolarHBondContact O-N 3.14Å | ||
| 37 | R | 44.3 | Very low | 42.8 | Very low | 180 Ų | 180 | 128 Ų | 128 | 68% | 0.679 | 68% | 0.684 | S | S | * | * | trans | -65.4 | 90.4 | 159.9 | -168.9 | -178.1 | -161.9 | -128.2 | 0.7 | 107.2 | L35 E119 | L35-R37 PolarHBondContact O-N 3.31Å; R37-E119 IonicContact CZ-OE1 3.31Å; R37-E119 IonicContact NH1-OE1 3.13Å; R37-E119 PolarHBondContact NH1-OE1 3.38Å; R37-E119 VanDerWaalsContact NH1-OE1 3.13Å; R37-E119 IonicContact NH2-OE1 2.84Å; R37-E119 PolarHBondContact NH2-OE1 2.89Å; R37-E119 IonicContact NH2-OE2 3.92Å | ||
| 38 | R | 37.2 | Very low | 42.6 | Very low | 183 Ų | 183 | 126.5 Ų | 126.5 | 69% | 0.691 | 67% | 0.668 | S | S | * | * | trans | -102.6 | 76 | 165.4 | -64.4 | -174.1 | 98.5 | -167.7 | 6.7 | 108.2 | H36 M40 | H36-R38 VanDerWaalsContact C-N 3.29Å; H36-R38 PolarHBondContact O-N 3.14Å; R38-M40 PolarHBondContact O-N 3.25Å | ||
| 39 | S | 36.4 | Very low | 42.8 | Very low | 84 Ų | 84 | 124.2 Ų | 124.2 | 59% | 0.587 | 66% | 0.659 | S | S | * | * | trans | -69.3 | 89.4 | 157.5 | 47.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 40 | M | 37 | Very low | 43.1 | Very low | 127 Ų | 127 | 115.9 Ų | 115.9 | 63% | 0.626 | 65% | 0.646 | S | S | * | * | trans | -89.5 | 120.4 | 164.7 | -71.2 | -145 | 161.9 | 0 | 0 | 107.7 | R38 V42 | R38-M40 PolarHBondContact O-N 3.25Å; M40-V42 PolarHBondContact O-N 3.38Å; M40-V42 VanDerWaalsContact O-N 3.14Å | ||
| 41 | P | 38.5 | Very low | 43.2 | Very low | 122 Ų | 122 | 117.4 Ų | 117.4 | 79% | 0.792 | 64% | 0.641 | S | S | * | * | trans | -60.7 | 119.3 | 164.5 | 25.5 | -29.8 | 0 | 0 | 0 | 107 | D43 | P41-D43 PolarHBondContact O-N 3Å; P41-D43 VanDerWaalsContact O-N 3.17Å | ||
| 42 | V | 50.7 | Low | 42.7 | Very low | 86 Ų | 86 | 114.8 Ų | 114.8 | 52% | 0.521 | 63% | 0.631 | S | S | . | * | trans | -67.5 | 115.2 | 175 | -179.1 | 0 | 0 | 0 | 0 | 106.9 | M40 E44 L47 M141 | M40-V42 PolarHBondContact O-N 3.38Å; M40-V42 VanDerWaalsContact O-N 3.14Å; V42-E44 PolarHBondContact O-N 3.03Å; V42-L47 HydrophobicContact CG1-CD1 4.19Å; V42-M141 HydrophobicContact CG2-CE 4.08Å | ||
| 43 | D | 42.1 | Very low | 42.5 | Very low | 78 Ų | 78 | 117.1 Ų | 117.1 | 42% | 0.417 | 64% | 0.639 | S | S | . | * | trans | -63.9 | 130.4 | -176.9 | -152.9 | -20 | 0 | 0 | 0 | 108.8 | P41 R45 D46 | P41-D43 PolarHBondContact O-N 3Å; P41-D43 VanDerWaalsContact O-N 3.17Å; D43-R45 PolarHBondContact O-N 3.49Å; D43-R45 IonicContact OD1-NE 3.71Å; D43-R45 IonicContact OD1-NH2 3.89Å; D43-R45 IonicContact OD2-CZ 3.71Å; D43-R45 IonicContact OD2-NE 3.67Å; D43-R45 IonicContact OD2-NH2 2.89Å; D43-R45 PolarHBondContact OD2-NH2 3.12Å; D43-D46 PolarHBondContact O-N 2.85Å | ||
| 44 | E | 45.7 | Very low | 42.6 | Very low | 123 Ų | 123 | 115 Ų | 115 | 58% | 0.575 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -57.1 | -21.2 | -173.2 | -161.2 | 177 | 171.9 | 0 | 0 | 112.4 | V42 L47 Q48 | V42-E44 PolarHBondContact O-N 3.03Å; E44-L47 WeakPolarHBondContact O-CB 3.29Å; E44-L47 PolarHBondContact O-N 2.92Å; E44-Q48 PolarHBondContact O-N 2.92Å; E44-Q48 VanDerWaalsContact O-N 3.14Å; E44-Q48 PolarHBondContact O-OE1 3.1Å |
| 45 | R | 44.9 | Very low | 42.6 | Very low | 172 Ų | 172 | 116 Ų | 116 | 65% | 0.649 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -69.3 | -33.5 | 176.8 | -70.8 | -178.4 | -74.2 | -178.4 | 0.5 | 114.1 | D43 L47 Q48 A49 | D43-R45 PolarHBondContact O-N 3.49Å; D43-R45 IonicContact OD1-NE 3.71Å; D43-R45 IonicContact OD1-NH2 3.89Å; D43-R45 IonicContact OD2-CZ 3.71Å; D43-R45 IonicContact OD2-NE 3.67Å; D43-R45 IonicContact OD2-NH2 2.89Å; D43-R45 PolarHBondContact OD2-NH2 3.12Å; R45-L47 VanDerWaalsContact C-N 3.32Å; R45-Q48 WeakPolarHBondContact O-CB 3.33Å; R45-Q48 PolarHBondContact O-N 3.44Å; R45-A49 PolarHBondContact O-N 3.17Å |
| 46 | D | 50.3 | Low | 42.4 | Very low | 113 Ų | 113 | 116.4 Ų | 116.4 | 60% | 0.604 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -73.1 | -31.4 | 178 | -69.1 | -28.2 | 0 | 0 | 0 | 111.1 | D43 A49 A50 | D43-D46 PolarHBondContact O-N 2.85Å; D46-A49 PolarHBondContact O-N 3Å; D46-A50 PolarHBondContact O-N 3.39Å |
| 47 | L | 49.4 | Very low | 42.2 | Very low | 68 Ų | 68 | 113.2 Ų | 113.2 | 36% | 0.356 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -64.9 | -40.3 | 167.7 | -89.7 | 134.7 | 0 | 0 | 0 | 111.7 | V42 E44 R45 L51 W153 | V42-L47 HydrophobicContact CG1-CD1 4.19Å; E44-L47 WeakPolarHBondContact O-CB 3.29Å; E44-L47 PolarHBondContact O-N 2.92Å; R45-L47 VanDerWaalsContact C-N 3.32Å; L47-L51 WeakPolarHBondContact O-CD1 3.24Å; L47-L51 WeakPolarHBondContact O-CG 3.38Å; L47-W153 HydrophobicContact CD2-CH2 4.16Å |
| 48 | Q | 42.4 | Very low | 41.6 | Very low | 104 Ų | 104 | 109.9 Ų | 109.9 | 49% | 0.486 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -67.3 | -36.7 | 175.4 | -119.4 | 104.2 | 43.2 | 0 | 0 | 113 | E44 R45 L51 | E44-Q48 PolarHBondContact O-N 2.92Å; E44-Q48 VanDerWaalsContact O-N 3.14Å; E44-Q48 PolarHBondContact O-OE1 3.1Å; R45-Q48 WeakPolarHBondContact O-CB 3.33Å; R45-Q48 PolarHBondContact O-N 3.44Å; Q48-L51 WeakPolarHBondContact O-CB 3.31Å; Q48-L51 PolarHBondContact O-N 3.15Å; Q48-L51 VanDerWaalsContact O-N 3.07Å |
| 49 | A | 45.2 | Very low | 41.4 | Very low | 74 Ų | 74 | 105.8 Ų | 105.8 | 61% | 0.612 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -67.8 | -35.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R45 D46 L51 | R45-A49 PolarHBondContact O-N 3.17Å; D46-A49 PolarHBondContact O-N 3Å; A49-L51 PolarHBondContact O-N 2.81Å |
| 50 | A | 49.4 | Very low | 41.1 | Very low | 90 Ų | 90 | 106.9 Ų | 106.9 | 74% | 0.744 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -9.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D46 | D46-A50 PolarHBondContact O-N 3.39Š|
| 51 | L | 46.3 | Very low | 40.9 | Very low | 89 Ų | 89 | 105.9 Ų | 105.9 | 47% | 0.466 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.3 | 8.5 | -174.3 | -68.9 | 169.5 | 0 | 0 | 0 | 114.3 | L47 Q48 A49 P53 | L47-L51 WeakPolarHBondContact O-CD1 3.24Å; L47-L51 WeakPolarHBondContact O-CG 3.38Å; Q48-L51 WeakPolarHBondContact O-CB 3.31Å; Q48-L51 PolarHBondContact O-N 3.15Å; Q48-L51 VanDerWaalsContact O-N 3.07Å; A49-L51 PolarHBondContact O-N 2.81Å; L51-P53 VanDerWaalsContact O-CD 3.29Å; L51-P53 WeakPolarHBondContact O-CD 3.46Å |
| 52 | A | 34.6 | Very low | 40.5 | Very low | 79 Ų | 79 | 103.3 Ų | 103.3 | 65% | 0.653 | 69% | 0.689 | S | S | * | * | trans | -79.6 | 117.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G54 | A52-G54 PolarHBondContact O-N 3.24Š| ||
| 53 | P | 40.7 | Very low | 39.6 | Very low | 136 Ų | 136 | 106.5 Ų | 106.5 | 88% | 0.883 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -79.4 | 104.8 | 171.9 | 30.8 | -29.2 | 0 | 0 | 0 | 109.4 | L51 | L51-P53 VanDerWaalsContact O-CD 3.29Å; L51-P53 WeakPolarHBondContact O-CD 3.46Å |
| 54 | G | 42.8 | Very low | 39.1 | Very low | 70 Ų | 70 | 106.5 Ų | 106.5 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | trans | 174.7 | -6.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | A52 L56 | A52-G54 PolarHBondContact O-N 3.24Å; G54-L56 PolarHBondContact O-N 2.93Å | ||
| 55 | S | 37.2 | Very low | 38.4 | Very low | 125 Ų | 125 | 107.2 Ų | 107.2 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | trans | -98.1 | 42.2 | -174 | -160 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 56 | L | 38.2 | Very low | 37.8 | Very low | 179 Ų | 179 | 107.3 Ų | 107.3 | 94% | 0.937 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -134 | 56.4 | 167.7 | -79.1 | 172.8 | 0 | 0 | 0 | 110.7 | G54 | G54-L56 PolarHBondContact O-N 2.93Š|
| 57 | A | 32.9 | Very low | 36.9 | Very low | 95 Ų | 95 | 105.6 Ų | 105.6 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -166.8 | 86.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 58 | A | 32.3 | Very low | 36.4 | Very low | 110 Ų | 110 | 108.3 Ų | 108.3 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | trans | -168.4 | 62.7 | 151.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 59 | A | 32.8 | Very low | 35.9 | Very low | 98 Ų | 98 | 114.9 Ų | 114.9 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -112.3 | 128.6 | 154.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 60 | A | 30.3 | Very low | 35.3 | Very low | 107 Ų | 107 | 120.1 Ų | 120.1 | 88% | 0.884 | 81% | 0.811 | S | S | * | * | trans | 83.1 | 96.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 61 | A | 32.6 | Very low | 34.4 | Very low | 106 Ų | 106 | 122.9 Ų | 122.9 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | -176.7 | 123.5 | 121 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 62 | G | 29.1 | Very low | 33.6 | Very low | 68 Ų | 68 | 130.1 Ų | 130.1 | 70% | 0.701 | 83% | 0.834 | S | S | * | * | trans | -87.6 | 161.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 63 | T | 33.3 | Very low | 33.7 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 94% | 0.939 | 84% | 0.837 | S | S | * | * | 167.5 | 133.4 | 123.8 | 40.1 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 64 | G | 30.1 | Very low | 33.5 | Very low | 77 Ų | 77 | 134 Ų | 134 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | trans | 102 | 101.2 | 138.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 65 | N | 30.8 | Very low | 32.9 | Very low | 139 Ų | 139 | 138 Ų | 138 | 74% | 0.743 | 84% | 0.841 | S | S | * | * | 98.4 | 102.1 | 123.8 | -140.2 | 57.8 | 0 | 0 | 0 | 121.9 | |||||
| 66 | Q | 33.2 | Very low | 32.9 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 81% | 0.808 | 84% | 0.837 | S | S | * | * | trans | 66.2 | 101.7 | 130.8 | -66.5 | -171.9 | 89.9 | 0 | 0 | 123.6 | ||||
| 67 | G | 30.5 | Very low | 32.9 | Very low | 78 Ų | 78 | 137.2 Ų | 137.2 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | 90.6 | 160.3 | 122.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 68 | P | 40 | Very low | 32.9 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 81% | 0.812 | 83% | 0.831 | S | S | * | * | cis | -125.9 | 152.5 | -16.5 | 37.5 | -21.1 | 0 | 0 | 0 | 115.6 | ||||
| 69 | R | 31.2 | Very low | 33.2 | Very low | 241 Ų | 241 | 140.2 Ų | 140.2 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | trans | 14.1 | 124.5 | 151.8 | -72.9 | 177.7 | 158.9 | 178.3 | -7.7 | 120.5 | ||||
| 70 | L | 32.8 | Very low | 33.7 | Very low | 185 Ų | 185 | 143.7 Ų | 143.7 | 97% | 0.969 | 83% | 0.832 | S | S | * | * | trans | -141.8 | 142.9 | 132.1 | -73.5 | 179.8 | 0 | 0 | 0 | 110.5 | ||||
| 71 | D | 30.1 | Very low | 34 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 79% | 0.786 | 83% | 0.833 | S | S | * | * | trans | -84.9 | 136.4 | -163.2 | -162.9 | 33.7 | 0 | 0 | 0 | 111.5 | ||||
| 72 | W | 29.6 | Very low | 34.5 | Very low | 242 Ų | 242 | 144.9 Ų | 144.9 | 92% | 0.917 | 83% | 0.828 | S | S | * | * | trans | -137.9 | 129 | 164.6 | -85.2 | 142.7 | 0 | 0 | 0 | 110.6 | ||||
| 73 | P | 37.6 | Very low | 35 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 71% | 0.708 | 83% | 0.834 | S | S | * | * | trans | -78.9 | 140.4 | -170.8 | 31 | -31.4 | 0 | 0 | 0 | 111.9 | ||||
| 74 | E | 35.9 | Very low | 35.1 | Very low | 187 Ų | 187 | 140.9 Ų | 140.9 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -65.7 | 128.4 | 158.8 | -73.9 | 170.8 | 113.4 | 0 | 0 | 109.4 | ||||
| 75 | D | 31 | Very low | 35.7 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -156.7 | 125 | 149.4 | -103.3 | -32.9 | 0 | 0 | 0 | 112.4 | ||||
| 76 | S | 36.2 | Very low | 36.1 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | trans | 85.2 | 129.5 | 139.5 | -61.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 77 | E | 38.3 | Very low | 36.8 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -83.5 | 173.4 | -170.4 | -56.7 | -178.3 | 102.2 | 0 | 0 | 114 | ||||
| 78 | D | 33.8 | Very low | 37.6 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | 75.3 | 97.2 | 156.5 | -65 | -21.1 | 0 | 0 | 0 | 119.4 | ||||
| 79 | S | 38.5 | Very low | 38.5 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -146.2 | 100.1 | 141.8 | -76.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 80 | L | 42 | Very low | 40.4 | Very low | 172 Ų | 172 | 132.8 Ų | 132.8 | 90% | 0.901 | 77% | 0.766 | S | S | * | * | trans | 6.1 | 109.6 | 155.8 | -57.4 | 170.7 | 0 | 0 | 0 | 115.8 | S82 | L80-S82 VanDerWaalsContact C-N 3.3Å; L80-S82 PolarHBondContact O-N 3.49Å | ||
| 81 | S | 38.6 | Very low | 43.2 | Very low | 128 Ų | 128 | 126.7 Ų | 126.7 | 90% | 0.895 | 74% | 0.736 | S | S | * | * | trans | -58.8 | 92.3 | 162.4 | -59.4 | 0 | 0 | 0 | 0 | 110.1 | G83 | S81-G83 PolarHBondContact O-N 3.35Å; S81-G83 VanDerWaalsContact O-N 3.15Å | ||
| 82 | S | 43.1 | Very low | 46.3 | Very low | 110 Ų | 110 | 120.8 Ų | 120.8 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | trans | -62.7 | 110.1 | 153.6 | -178.1 | 0 | 0 | 0 | 0 | 106.3 | L80 G84 | L80-S82 VanDerWaalsContact C-N 3.3Å; L80-S82 PolarHBondContact O-N 3.49Å; S82-G84 PolarHBondContact O-N 3.47Å | ||
| 83 | G | 39.4 | Very low | 49.4 | Very low | 81 Ų | 81 | 113.3 Ų | 113.3 | 84% | 0.835 | 68% | 0.677 | S | S | * | * | trans | -66.7 | 66.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | S81 S85 | S81-G83 PolarHBondContact O-N 3.35Å; S81-G83 VanDerWaalsContact O-N 3.15Å; G83-S85 PolarHBondContact O-N 3.08Å | ||
| 84 | G | 35.5 | Very low | 52.2 | Low | 56 Ų | 56 | 108.1 Ų | 108.1 | 58% | 0.577 | 64% | 0.643 | S | S | * | * | trans | -63.3 | 112.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | S82 D86 | S82-G84 PolarHBondContact O-N 3.47Å; G84-D86 VanDerWaalsContact C-N 3.35Å; G84-D86 PolarHBondContact O-N 3.41Å | ||
| 85 | S | 41.2 | Very low | 55.1 | Low | 106 Ų | 106 | 99.2 Ų | 99.2 | 74% | 0.741 | 60% | 0.602 | S | S | * | * | trans | -51.4 | 112.5 | 154.7 | -175.9 | 0 | 0 | 0 | 0 | 105.1 | G83 S87 | G83-S85 PolarHBondContact O-N 3.08Å; S85-S87 PolarHBondContact O-N 2.81Å | ||
| 86 | D | 39.8 | Very low | 58.2 | Low | 147 Ų | 147 | 92 Ų | 92 | 79% | 0.786 | 56% | 0.564 | S | S | * | * | trans | -63.9 | 76.3 | 167.8 | -163.1 | 37 | 0 | 0 | 0 | 105.6 | G84 D88 | G84-D86 VanDerWaalsContact C-N 3.35Å; G84-D86 PolarHBondContact O-N 3.41Å; D86-D88 PolarHBondContact O-N 2.82Å | ||
| 87 | S | 47.5 | Very low | 61 | Low | 99 Ų | 99 | 86.7 Ų | 86.7 | 69% | 0.692 | 53% | 0.526 | S | S | * | . | trans | -67.9 | 77.4 | 162.2 | 41.9 | 0 | 0 | 0 | 0 | 104 | S85 E89 | S85-S87 PolarHBondContact O-N 2.81Å; S87-E89 PolarHBondContact O-N 3.28Å | ||
| 88 | D | 48.2 | Very low | 63.8 | Low | 113 Ų | 113 | 78.3 Ų | 78.3 | 60% | 0.604 | 49% | 0.487 | S | S | * | . | trans | -43.5 | 112.6 | 173.2 | -173.2 | 31.8 | 0 | 0 | 0 | 105.3 | D86 S90 | D86-D88 PolarHBondContact O-N 2.82Å; D88-S90 VanDerWaalsContact CG-OG 3.22Å; D88-S90 PolarHBondContact O-N 3.08Å; D88-S90 PolarHBondContact O-OG 3.45Å; D88-S90 PolarHBondContact OD2-OG 3.42Å | ||
| 89 | E | 57.7 | Low | 66.7 | Low | 174 Ų | 174 | 71.9 Ų | 71.9 | 81% | 0.813 | 45% | 0.454 | S | S | * | . | trans | -71.4 | 55.6 | 178.7 | -161.6 | 167.4 | 128.7 | 0 | 0 | 106.8 | S87 V91 | S87-E89 PolarHBondContact O-N 3.28Å; E89-V91 PolarHBondContact O-N 3.13Å; E89-V91 VanDerWaalsContact O-N 3.12Å | ||
| 90 | S | 71.8 | Confident | 69.3 | Low | 24 Ų | 24 | 70.7 Ų | 70.7 | 17% | 0.168 | 44% | 0.443 | C | S | . | . | trans | -73.3 | 112.4 | -170.9 | -28.5 | 0 | 0 | 0 | 0 | 106.8 | D88 Y92 R255 | D88-S90 VanDerWaalsContact CG-OG 3.22Å; D88-S90 PolarHBondContact O-N 3.08Å; D88-S90 PolarHBondContact O-OG 3.45Å; D88-S90 PolarHBondContact OD2-OG 3.42Å; S90-Y92 PolarHBondContact O-N 2.88Å; S90-R255 PolarHBondContact OG-NH1 2.81Å; S90-R255 VanDerWaalsContact OG-NH1 3.11Å | ||
| 91 | V | 91.5 | Very high | 71.8 | Confident | 56 Ų | 56 | 65.5 Ų | 65.5 | 34% | 0.339 | 43% | 0.431 | S | S | . | . | trans | -59 | 121.9 | 166.6 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | E89 S139 M141 | E89-V91 PolarHBondContact O-N 3.13Å; E89-V91 VanDerWaalsContact O-N 3.12Å; V91-S139 WeakPolarHBondContact CA-O 3.37Å; V91-M141 HydrophobicContact CG1-CB 3.64Å | ||
| 92 | Y | 94.9 | Very high | 74.6 | Confident | 23 Ų | 23 | 59.4 Ų | 59.4 | 9% | 0.09 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 123.5 | 178.6 | -62.9 | -59.1 | 0 | 0 | 0 | 110.9 | S90 A138 S139 L140 M141 V248 I251 | S90-Y92 PolarHBondContact O-N 2.88Å; Y92-A138 HydrophobicContact CD2-CB 4.23Å; Y92-A138 HydrophobicContact CE2-CB 3.95Å; Y92-S139 PolarHBondContact N-O 3.01Å; Y92-L140 HydrophobicContact CD2-CD2 3.89Å; Y92-L140 HydrophobicContact CG-CD2 4.22Å; Y92-L140 WeakPolarHBondContact O-CA 3.5Å; Y92-M141 PolarHBondContact O-N 3.35Å; Y92-V248 HydrophobicContact CE2-CG1 4.39Å; Y92-I251 HydrophobicContact CD1-CB 4.36Å; Y92-I251 HydrophobicContact CD1-CD1 3.85Å; Y92-I251 HydrophobicContact CD1-CG2 3.55Å; Y92-I251 HydrophobicContact CD2-CD1 4.34Å; Y92-I251 HydrophobicContact CE1-CB 4.25Å; Y92-I251 HydrophobicContact CE1-CG2 3.32Å; Y92-I251 HydrophobicContact CG-CD1 3.72Å; Y92-I251 HydrophobicContact CG-CG2 4.39Å |
| 93 | K | 94.8 | Very high | 77.1 | Confident | 85 Ų | 85 | 55.1 Ų | 55.1 | 37% | 0.37 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 115.9 | 178.4 | -63.4 | 179.3 | -174.7 | 174.7 | 0 | 110.8 | Y143 M161 D163 A164 | K93-Y143 HydrophobicContact CB-CE2 3.86Å; K93-Y143 HydrophobicContact CD-CE2 4.41Å; K93-Y143 HydrophobicContact CG-CE2 3.96Å; K93-M161 HydrophobicContact CD-CG 4.3Å; K93-D163 PolarHBondContact N-OD2 2.9Å; K93-D163 PolarHBondContact O-N 3.44Å; K93-A164 PolarHBondContact O-N 2.71Å; K93-A164 VanDerWaalsContact O-N 3.12Å |
| 94 | V | 96.7 | Very high | 79.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 121.8 | -178.1 | -173.9 | 0 | 0 | 0 | 0 | 109.5 | L140 M141 V142 Y143 A164 V166 V247 | V94-L140 HydrophobicContact CG2-CD2 4.05Å; V94-M141 PolarHBondContact N-O 2.83Å; V94-V142 HydrophobicContact CB-CG2 4.26Å; V94-V142 CarbonylContact O-C 3.56Å; V94-V142 WeakPolarHBondContact O-CA 3.26Å; V94-Y143 PolarHBondContact O-N 3.3Å; V94-A164 HydrophobicContact CG1-CB 4.48Å; V94-A164 HydrophobicContact CG2-CB 4.39Å; V94-V166 HydrophobicContact CG1-CG2 3.83Å; V94-V247 HydrophobicContact CG1-CG1 4.26Å; V94-V247 HydrophobicContact CG2-CG1 3.77Å |
| 95 | L | 95.9 | Very high | 82.6 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 134 | 177.4 | -76.7 | 90 | 0 | 0 | 0 | 111.8 | Y143 C158 M161 A164 Y165 V166 | L95-Y143 HydrophobicContact CD1-CD2 4.3Å; L95-Y143 HydrophobicContact CG-CD2 4.34Å; L95-C158 HydrophobicContact CD2-CB 3.67Å; L95-C158 WeakPolarHBondContact CD2-O 3.38Å; L95-M161 HydrophobicContact CD1-CB 4.42Å; L95-A164 PolarHBondContact N-O 3.43Å; L95-Y165 HydrophobicContact CB-CD1 3.84Å; L95-Y165 HydrophobicContact CB-CE1 3.85Å; L95-Y165 HydrophobicContact CD1-CE1 4.16Å; L95-Y165 HydrophobicContact CD2-CE1 4.24Å; L95-Y165 HydrophobicContact CG-CE1 4.31Å; L95-V166 PolarHBondContact O-N 2.77Å |
| 96 | L | 96.5 | Very high | 85.1 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 123.1 | 172.6 | -52.3 | -173.5 | 0 | 0 | 0 | 110.1 | K104 A108 V142 Y143 W146 V166 | L96-K104 HydrophobicContact CB-CB 4.18Å; L96-K104 HydrophobicContact CB-CD 4.47Å; L96-K104 HydrophobicContact CB-CG 4.49Å; L96-K104 HydrophobicContact CD1-CB 4.29Å; L96-K104 VanDerWaalsContact CD1-O 3.31Å; L96-K104 WeakPolarHBondContact CD1-O 3.5Å; L96-A108 HydrophobicContact CD1-CB 3.72Å; L96-V142 HydrophobicContact CD1-CG1 3.88Å; L96-V142 HydrophobicContact CD2-CG1 4.07Å; L96-V142 HydrophobicContact CG-CG1 3.84Å; L96-Y143 PolarHBondContact N-O 3.19Å; L96-Y143 VanDerWaalsContact N-O 3.07Å; L96-W146 WeakPolarHBondContact O-CB 3.38Å; L96-V166 WeakPolarHBondContact CA-O 3.44Å; L96-V166 HydrophobicContact CD2-CB 3.68Å; L96-V166 HydrophobicContact CD2-CG1 4.11Å; L96-V166 HydrophobicContact CD2-CG2 4.14Å |
| 97 | L | 95.7 | Very high | 87.8 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 155.2 | 178.6 | -51.3 | -179.7 | 0 | 0 | 0 | 109.7 | W146 Y165 V166 I167 V168 L183 L187 | L97-W146 HydrophobicContact CB-CG 4.44Å; L97-W146 HydrophobicContact CD2-CB 4.05Å; L97-W146 HydrophobicContact CD2-CD2 3.7Å; L97-W146 HydrophobicContact CD2-CE3 3.5Å; L97-W146 HydrophobicContact CD2-CG 3.92Å; L97-W146 HydrophobicContact CD2-CZ3 4.28Å; L97-Y165 HydrophobicContact CD1-CD1 3.76Å; L97-Y165 HydrophobicContact CD1-CE1 4.45Å; L97-Y165 HydrophobicContact CG-CD1 4.24Å; L97-V166 PolarHBondContact N-O 3.02Å; L97-I167 HydrophobicContact CB-CG1 4.37Å; L97-I167 HydrophobicContact CD1-CG1 4.36Å; L97-I167 WeakPolarHBondContact O-CA 3.38Å; L97-V168 PolarHBondContact O-N 3.32Å; L97-L183 HydrophobicContact CB-CD1 4.36Å; L97-L187 HydrophobicContact CD1-CD2 4.42Å |
| 98 | G | 95.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | 145.3 | 166.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | K104 W146 V168 | G98-K104 PolarHBondContact O-NZ 3.35Å; G98-W146 PolarHBondContact O-NE1 3.29Å; G98-V168 WeakPolarHBondContact CA-O 3.47Å | ||
| 99 | A | 95.2 | Very high | 92.2 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 10% | 0.099 | 21% | 0.206 | C | C | . | . | trans | -58.9 | 160.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | V102 K104 K179 | A99-V102 HydrophobicContact CB-CG1 3.88Å; A99-V102 WeakPolarHBondContact O-CG1 3.48Å; A99-V102 WeakPolarHBondContact O-CG2 3.47Å; A99-K104 PolarHBondContact O-NZ 3.03Å; A99-K179 HydrophobicContact CB-CB 4.45Å; A99-K179 HydrophobicContact CB-CG 4.29Å | ||
| 100 | P | 93.1 | Very high | 93.9 | Very high | 94 Ų | 94 | 28.9 Ų | 28.9 | 61% | 0.61 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 145.3 | 171.2 | -24.6 | 34.9 | 0 | 0 | 0 | 111.8 | V102 | P100-V102 VanDerWaalsContact C-N 3.25Å; P100-V102 PolarHBondContact O-N 3.5Å; P100-V102 VanDerWaalsContact O-N 3.15Å |
| 101 | G | 94.2 | Very high | 94.9 | Very high | 63 Ų | 63 | 28.2 Ų | 28.2 | 65% | 0.649 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | -0.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | G103 K204 | G101-G103 PolarHBondContact O-N 3.38Å; G101-K204 WeakPolarHBondContact O-CE 3.13Å; G101-K204 PolarHBondContact O-NZ 3.42Å |
| 102 | V | 97.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -71.6 | -15.6 | 177.6 | -57.8 | 0 | 0 | 0 | 0 | 113.8 | A99 P100 K104 V168 N203 | A99-V102 HydrophobicContact CB-CG1 3.88Å; A99-V102 WeakPolarHBondContact O-CG1 3.48Å; A99-V102 WeakPolarHBondContact O-CG2 3.47Å; P100-V102 VanDerWaalsContact C-N 3.25Å; P100-V102 PolarHBondContact O-N 3.5Å; P100-V102 VanDerWaalsContact O-N 3.15Å; V102-K104 HydrophobicContact CG2-CD 4.41Å; V102-K104 HydrophobicContact CG2-CG 3.69Å; V102-V168 HydrophobicContact CB-CG1 4.33Å; V102-V168 HydrophobicContact CG2-CB 3.95Å; V102-V168 HydrophobicContact CG2-CG1 3.88Å; V102-N203 PolarHBondContact O-ND2 2.96Å |
| 103 | G | 96.4 | Very high | 94.2 | Very high | 19 Ų | 19 | 27.2 Ų | 27.2 | 20% | 0.196 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 102.2 | 26.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | G101 A106 L107 | G101-G103 PolarHBondContact O-N 3.38Å; G103-A106 PolarHBondContact O-N 3.36Å; G103-L107 WeakPolarHBondContact O-CG 3.32Å; G103-L107 PolarHBondContact O-N 3.07Å; G103-L107 VanDerWaalsContact O-N 3.08Å |
| 104 | K | 95.9 | Very high | 93.2 | Very high | 14 Ų | 14 | 24.8 Ų | 24.8 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -54.1 | -55.7 | 173.5 | -56 | -176.2 | -63 | -85.7 | 0 | 111.7 | L96 G98 A99 V102 A106 L107 A108 D144 W146 V168 | L96-K104 HydrophobicContact CB-CB 4.18Å; L96-K104 HydrophobicContact CB-CD 4.47Å; L96-K104 HydrophobicContact CB-CG 4.49Å; L96-K104 HydrophobicContact CD1-CB 4.29Å; L96-K104 VanDerWaalsContact CD1-O 3.31Å; L96-K104 WeakPolarHBondContact CD1-O 3.5Å; G98-K104 PolarHBondContact O-NZ 3.35Å; A99-K104 PolarHBondContact O-NZ 3.03Å; V102-K104 HydrophobicContact CG2-CD 4.41Å; V102-K104 HydrophobicContact CG2-CG 3.69Å; K104-A106 VanDerWaalsContact C-N 3.29Å; K104-A106 PolarHBondContact O-N 2.98Å; K104-L107 PolarHBondContact O-N 3.28Å; K104-L107 VanDerWaalsContact O-N 3.17Å; K104-A108 PolarHBondContact O-N 3.04Å; K104-D144 VanDerWaalsContact CB-OD1 3.28Å; K104-D144 WeakPolarHBondContact CB-OD1 3.39Å; K104-W146 WeakPolarHBondContact CE-O 3.48Å; K104-V168 HydrophobicContact CG-CB 4.27Å; K104-V168 HydrophobicContact CG-CG2 4.37Å |
| 105 | S | 93.7 | Very high | 91.6 | Very high | 39 Ų | 39 | 33 Ų | 33 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.8 | -37 | 178.4 | -40.4 | 0 | 0 | 0 | 0 | 113.4 | A108 R109 D144 | S105-A108 PolarHBondContact O-N 3.39Å; S105-R109 VanDerWaalsContact O-CG 3.31Å; S105-R109 WeakPolarHBondContact O-CG 3.37Å; S105-R109 PolarHBondContact O-N 3.22Å; S105-D144 WeakPolarHBondContact CA-OD2 3.28Å; S105-D144 WeakPolarHBondContact CB-OD2 3.3Å; S105-D144 PolarHBondContact N-OD1 3.48Å; S105-D144 PolarHBondContact OG-OD2 2.76Å |
| 106 | A | 94.7 | Very high | 89.8 | Confident | 32 Ų | 32 | 40.4 Ų | 40.4 | 26% | 0.264 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.1 | -45.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | G103 K104 A108 R109 I110 A234 | G103-A106 PolarHBondContact O-N 3.36Å; K104-A106 VanDerWaalsContact C-N 3.29Å; K104-A106 PolarHBondContact O-N 2.98Å; A106-A108 VanDerWaalsContact C-N 3.33Å; A106-A108 PolarHBondContact O-N 3.43Å; A106-R109 PolarHBondContact O-N 2.75Å; A106-I110 WeakPolarHBondContact O-CD1 3.38Å; A106-I110 WeakPolarHBondContact O-CG1 3.45Å; A106-I110 PolarHBondContact O-N 3.06Å; A106-I110 VanDerWaalsContact O-N 3.1Å; A106-A234 HydrophobicContact CB-CB 3.8Å |
| 107 | L | 96.7 | Very high | 88 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 174.5 | -68.5 | 170.1 | 0 | 0 | 0 | 111.7 | G103 K104 F111 V168 V201 A234 V240 | G103-L107 WeakPolarHBondContact O-CG 3.32Å; G103-L107 PolarHBondContact O-N 3.07Å; G103-L107 VanDerWaalsContact O-N 3.08Å; K104-L107 PolarHBondContact O-N 3.28Å; K104-L107 VanDerWaalsContact O-N 3.17Å; L107-F111 WeakPolarHBondContact O-CB 3.42Å; L107-F111 PolarHBondContact O-N 2.94Å; L107-V168 HydrophobicContact CD1-CG1 4.04Å; L107-V168 HydrophobicContact CD1-CG2 4.08Å; L107-V201 HydrophobicContact CD1-CG1 4.38Å; L107-A234 HydrophobicContact CD2-CB 4.08Å; L107-A234 HydrophobicContact CG-CB 4.39Å; L107-V240 HydrophobicContact CD2-CG1 4.2Å; L107-V240 HydrophobicContact CD2-CG2 3.83Å |
| 108 | A | 94.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L96 K104 S105 A106 F111 G112 Y127 V142 D144 | L96-A108 HydrophobicContact CD1-CB 3.72Å; K104-A108 PolarHBondContact O-N 3.04Å; S105-A108 PolarHBondContact O-N 3.39Å; A106-A108 VanDerWaalsContact C-N 3.33Å; A106-A108 PolarHBondContact O-N 3.43Å; A108-F111 WeakPolarHBondContact O-CB 3.46Å; A108-F111 PolarHBondContact O-N 3.01Å; A108-G112 PolarHBondContact O-N 3.35Å; A108-Y127 HydrophobicContact CB-CD2 3.49Å; A108-Y127 VanDerWaalsContact CB-CD2 3.49Å; A108-Y127 HydrophobicContact CB-CE2 3.46Å; A108-Y127 VanDerWaalsContact CB-CE2 3.46Å; A108-Y127 HydrophobicContact CB-CG 4.29Å; A108-V142 HydrophobicContact CB-CG1 4.23Å; A108-D144 HydrophobicContact CB-CB 4.11Å |
| 109 | R | 91.9 | Very high | 84.2 | Confident | 99 Ų | 99 | 52.9 Ų | 52.9 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 177.8 | -71.6 | 178.7 | -144.9 | 135 | 0.9 | 112.7 | S105 A106 F111 G112 G113 V114 Y127 | S105-R109 VanDerWaalsContact O-CG 3.31Å; S105-R109 WeakPolarHBondContact O-CG 3.37Å; S105-R109 PolarHBondContact O-N 3.22Å; A106-R109 PolarHBondContact O-N 2.75Å; R109-F111 VanDerWaalsContact C-N 3.26Å; R109-F111 PolarHBondContact O-N 3.47Å; R109-G112 CarbonylContact O-C 3.52Å; R109-G112 PolarHBondContact O-N 2.88Å; R109-G112 VanDerWaalsContact O-N 3.15Å; R109-G113 PolarHBondContact O-N 3.46Å; R109-V114 PolarHBondContact O-N 3.48Å; R109-Y127 HydrophobicContact CG-CE1 3.84Å; R109-Y127 WeakPolarHBondContact CG-OH 3.38Å |
| 110 | I | 92.9 | Very high | 82.3 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 21% | 0.21 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.2 | -44 | 176.2 | -66.5 | 165.3 | 0 | 0 | 0 | 109.8 | A106 G113 A234 H237 V240 | A106-I110 WeakPolarHBondContact O-CD1 3.38Å; A106-I110 WeakPolarHBondContact O-CG1 3.45Å; A106-I110 PolarHBondContact O-N 3.06Å; A106-I110 VanDerWaalsContact O-N 3.1Å; I110-G113 PolarHBondContact O-N 3.32Å; I110-A234 HydrophobicContact CD1-CB 3.71Å; I110-A234 WeakPolarHBondContact CD1-O 3.29Å; I110-H237 VanDerWaalsContact CG2-ND1 3.29Å; I110-H237 WeakPolarHBondContact CG2-ND1 3.29Å; I110-V240 HydrophobicContact CB-CG1 4.25Å; I110-V240 HydrophobicContact CG2-CB 4.21Å; I110-V240 HydrophobicContact CG2-CG1 3.75Å; I110-V240 HydrophobicContact CG2-CG2 4.39Å |
| 111 | F | 92.6 | Very high | 80.5 | Confident | 10 Ų | 10 | 57.5 Ų | 57.5 | 4% | 0.044 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 174.3 | 176.7 | -102.4 | 0 | 0 | 0 | 112 | L107 A108 R109 G113 R129 I131 L140 V142 F244 | L107-F111 WeakPolarHBondContact O-CB 3.42Å; L107-F111 PolarHBondContact O-N 2.94Å; A108-F111 WeakPolarHBondContact O-CB 3.46Å; A108-F111 PolarHBondContact O-N 3.01Å; R109-F111 VanDerWaalsContact C-N 3.26Å; R109-F111 PolarHBondContact O-N 3.47Å; F111-G113 PolarHBondContact O-N 3.25Å; F111-G113 VanDerWaalsContact O-N 3.1Å; F111-R129 HydrophobicContact CD1-CB 4.37Å; F111-R129 HydrophobicContact CE1-CB 3.6Å; F111-R129 HydrophobicContact CE2-CB 4.39Å; F111-R129 HydrophobicContact CZ-CB 3.6Å; F111-R129 HydrophobicContact CZ-CG 4.42Å; F111-R129 WeakPolarHBondContact O-CD 3.35Å; F111-R129 PolarHBondContact O-NH1 3.16Å; F111-I131 HydrophobicContact CE2-CD1 4.48Å; F111-I131 HydrophobicContact CE2-CG2 3.94Å; F111-I131 HydrophobicContact CZ-CG2 4.4Å; F111-L140 HydrophobicContact CE1-CB 3.95Å; F111-L140 HydrophobicContact CE1-CD1 4.43Å; F111-L140 HydrophobicContact CE2-CD1 3.87Å; F111-L140 HydrophobicContact CZ-CB 3.65Å; F111-L140 HydrophobicContact CZ-CD1 3.61Å; F111-L140 HydrophobicContact CZ-CG 4.03Å; F111-V142 HydrophobicContact CD1-CB 4.23Å; F111-V142 HydrophobicContact CD1-CG2 3.45Å; F111-V142 VanDerWaalsContact CD1-CG2 3.45Å; F111-V142 HydrophobicContact CE1-CG2 3.51Å; F111-V142 HydrophobicContact CG-CG2 4.29Å; F111-V142 HydrophobicContact CZ-CG2 4.41Å; F111-F244 HydrophobicContact CB-CD2 3.88Å; F111-F244 HydrophobicContact CB-CE1 4.28Å; F111-F244 HydrophobicContact CB-CE2 3.44Å; F111-F244 VanDerWaalsContact CB-CE2 3.44Å; F111-F244 HydrophobicContact CB-CG 4.5Å; F111-F244 HydrophobicContact CB-CZ 3.65Å; F111-F244 HydrophobicContact CD1-CE1 4.42Å; F111-F244 HydrophobicContact CD2-CB 3.81Å; F111-F244 AromaticContact CD2-CD1 3.8Å; F111-F244 HydrophobicContact CD2-CD1 3.8Å; F111-F244 AromaticContact CD2-CD2 3.35Å; F111-F244 HydrophobicContact CD2-CD2 3.35Å; F111-F244 HydrophobicContact CD2-CE1 4.21Å; F111-F244 AromaticContact CD2-CE2 3.84Å; F111-F244 HydrophobicContact CD2-CE2 3.84Å; F111-F244 AromaticContact CD2-CG 3.35Å; F111-F244 HydrophobicContact CD2-CG 3.35Å; F111-F244 HydrophobicContact CD2-CZ 4.23Å; F111-F244 HydrophobicContact CE2-CB 3.77Å; F111-F244 HydrophobicContact CE2-CD1 4.08Å; F111-F244 HydrophobicContact CE2-CD2 4.2Å; F111-F244 AromaticContact CE2-CG 3.75Å; F111-F244 HydrophobicContact CE2-CG 3.75Å; F111-F244 HydrophobicContact CG-CD1 4.06Å; F111-F244 AromaticContact CG-CD2 3.83Å; F111-F244 HydrophobicContact CG-CD2 3.83Å; F111-F244 HydrophobicContact CG-CE1 4.01Å; F111-F244 AromaticContact CG-CE2 3.81Å; F111-F244 HydrophobicContact CG-CE2 3.81Å; F111-F244 AromaticContact CG-CG 3.98Å; F111-F244 HydrophobicContact CG-CG 3.98Å; F111-F244 AromaticContact CG-CZ 3.88Å; F111-F244 HydrophobicContact CG-CZ 3.88Å |
| 112 | G | 89 | Confident | 78.8 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 20% | 0.196 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65 | -11.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A108 R109 V114 | A108-G112 PolarHBondContact O-N 3.35Å; R109-G112 CarbonylContact O-C 3.52Å; R109-G112 PolarHBondContact O-N 2.88Å; R109-G112 VanDerWaalsContact O-N 3.15Å; G112-V114 PolarHBondContact O-N 2.87Å |
| 113 | G | 84.6 | Confident | 77 | Confident | 39 Ų | 39 | 60.5 Ų | 60.5 | 40% | 0.402 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 25.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R109 I110 F111 E115 | R109-G113 PolarHBondContact O-N 3.46Å; I110-G113 PolarHBondContact O-N 3.32Å; F111-G113 PolarHBondContact O-N 3.25Å; F111-G113 VanDerWaalsContact O-N 3.1Å; G113-E115 PolarHBondContact O-N 3.39Å |
| 114 | V | 73 | Confident | 76 | Confident | 34 Ų | 34 | 61 Ų | 61 | 21% | 0.206 | 37% | 0.368 | C | S | . | . | trans | -84.7 | 108.8 | 178.4 | 179.8 | 0 | 0 | 0 | 0 | 107.3 | R109 G112 A120 Y127 | R109-V114 PolarHBondContact O-N 3.48Å; G112-V114 PolarHBondContact O-N 2.87Å; V114-A120 VanDerWaalsContact CG1-CA 3.48Å; V114-A120 HydrophobicContact CG1-CB 3.37Å; V114-Y127 HydrophobicContact CG2-CD1 4.05Å; V114-Y127 HydrophobicContact CG2-CE1 4.14Å | ||
| 115 | E | 63.3 | Low | 75.5 | Confident | 172 Ų | 172 | 63.7 Ų | 63.7 | 80% | 0.804 | 38% | 0.38 | S | S | * | . | trans | -74.8 | 153.1 | 169.2 | -61.8 | -169.8 | 153.8 | 0 | 0 | 109.8 | G113 G117 | G113-E115 PolarHBondContact O-N 3.39Å; E115-G117 PolarHBondContact O-N 2.91Å | ||
| 116 | D | 58.2 | Low | 75.3 | Confident | 157 Ų | 157 | 64.3 Ų | 64.3 | 84% | 0.84 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -60.1 | 110 | 179.6 | -69.5 | -44 | 0 | 0 | 0 | 110 | ||
| 117 | G | 59.3 | Low | 75.1 | Confident | 36 Ų | 36 | 63.3 Ų | 63.3 | 37% | 0.371 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -179.5 | 178 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E115 E119 A120 | E115-G117 PolarHBondContact O-N 2.91Å; G117-E119 PolarHBondContact O-N 3.2Å; G117-A120 WeakPolarHBondContact O-CB 3.44Å; G117-A120 PolarHBondContact O-N 3.39Å |
| 118 | P | 56.3 | Low | 74.8 | Confident | 120 Ų | 120 | 67.3 Ų | 67.3 | 78% | 0.779 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.9 | -21.9 | -176.6 | 24.9 | -33.5 | 0 | 0 | 0 | 113.9 | A120 E121 | P118-A120 PolarHBondContact O-N 3.19Å; P118-E121 PolarHBondContact O-N 3.15Å |
| 119 | E | 55.1 | Low | 74.7 | Confident | 109 Ų | 109 | 72.5 Ų | 72.5 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.7 | -23.6 | 174.2 | -157.8 | 171.5 | 175.2 | 0 | 0 | 111.8 | R37 G117 A122 A123 | R37-E119 IonicContact CZ-OE1 3.31Å; R37-E119 IonicContact NH1-OE1 3.13Å; R37-E119 PolarHBondContact NH1-OE1 3.38Å; R37-E119 VanDerWaalsContact NH1-OE1 3.13Å; R37-E119 IonicContact NH2-OE1 2.84Å; R37-E119 PolarHBondContact NH2-OE1 2.89Å; R37-E119 IonicContact NH2-OE2 3.92Å; G117-E119 PolarHBondContact O-N 3.2Å; E119-A122 PolarHBondContact O-N 3.29Å; E119-A123 PolarHBondContact O-N 3.2Å |
| 120 | A | 55.3 | Low | 74.7 | Confident | 24 Ų | 24 | 70.1 Ų | 70.1 | 20% | 0.198 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -72.3 | -32.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V114 G117 P118 | V114-A120 VanDerWaalsContact CG1-CA 3.48Å; V114-A120 HydrophobicContact CG1-CB 3.37Å; G117-A120 WeakPolarHBondContact O-CB 3.44Å; G117-A120 PolarHBondContact O-N 3.39Å; P118-A120 PolarHBondContact O-N 3.19Å |
| 121 | E | 55.5 | Low | 74.8 | Confident | 180 Ų | 180 | 69.7 Ų | 69.7 | 84% | 0.841 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -73.3 | -30.9 | 175.2 | -68.3 | -166.8 | 161.2 | 0 | 0 | 111.7 | P118 | P118-E121 PolarHBondContact O-N 3.15Å |
| 122 | A | 57.6 | Low | 74.9 | Confident | 88 Ų | 88 | 73.9 Ų | 73.9 | 73% | 0.727 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -75.4 | -28.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E119 G124 | E119-A122 PolarHBondContact O-N 3.29Å; A122-G124 PolarHBondContact O-N 2.98Å |
| 123 | A | 59 | Low | 75.3 | Confident | 38 Ų | 38 | 73 Ų | 73 | 31% | 0.314 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -18.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | E119 H125 Y127 | E119-A123 PolarHBondContact O-N 3.2Å; A123-H125 PolarHBondContact O-N 3.15Å; A123-Y127 HydrophobicContact CB-CE1 4.42Å |
| 124 | G | 75.6 | Confident | 75.7 | Confident | 30 Ų | 30 | 76.5 Ų | 76.5 | 31% | 0.309 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | -127.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A122 Y127 | A122-G124 PolarHBondContact O-N 2.98Å; G124-Y127 PolarHBondContact O-OH 3.11Å |
| 125 | H | 85.3 | Confident | 76.7 | Confident | 70 Ų | 70 | 78.3 Ų | 78.3 | 32% | 0.324 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 17.5 | -174.7 | -60.8 | -57.8 | 0 | 0 | 0 | 113.8 | A123 D144 I145 Q148 | A123-H125 PolarHBondContact O-N 3.15Å; H125-D144 WeakPolarHBondContact CB-O 3.41Å; H125-D144 PolarHBondContact O-N 2.7Å; H125-I145 HydrophobicContact CB-CG2 3.68Å; H125-Q148 PolarHBondContact CD2-OE1 2.82Å; H125-Q148 PolarHBondContact CE1-NE2 3.17Å; H125-Q148 PolarHBondContact NE2-NE2 3.39Å; H125-Q148 PolarHBondContact NE2-OE1 3.35Å |
| 126 | T | 89.6 | Confident | 78.1 | Confident | 53 Ų | 53 | 75.8 Ų | 75.8 | 33% | 0.325 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 127.3 | -178.4 | -54.6 | 0 | 0 | 0 | 0 | 109.4 | M141 V142 Y143 | T126-M141 HydrophobicContact CG2-CG 3.5Å; T126-M141 VanDerWaalsContact CG2-CG 3.5Å; T126-M141 HydrophobicContact CG2-SD 3.91Å; T126-V142 CarbonylContact C-O 3.58Å; T126-V142 WeakPolarHBondContact CA-O 3.42Å; T126-Y143 HydrophobicContact CG2-CD1 4.02Å; T126-Y143 HydrophobicContact CG2-CE1 3.91Å |
| 127 | Y | 91.4 | Very high | 79.9 | Confident | 11 Ų | 11 | 74.8 Ų | 74.8 | 4% | 0.043 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 116.3 | -176.6 | -56.6 | -90.5 | 0 | 0 | 0 | 109.5 | A108 R109 V114 A123 G124 V142 D144 | A108-Y127 HydrophobicContact CB-CD2 3.49Å; A108-Y127 VanDerWaalsContact CB-CD2 3.49Å; A108-Y127 HydrophobicContact CB-CE2 3.46Å; A108-Y127 VanDerWaalsContact CB-CE2 3.46Å; A108-Y127 HydrophobicContact CB-CG 4.29Å; R109-Y127 HydrophobicContact CG-CE1 3.84Å; R109-Y127 WeakPolarHBondContact CG-OH 3.38Å; V114-Y127 HydrophobicContact CG2-CD1 4.05Å; V114-Y127 HydrophobicContact CG2-CE1 4.14Å; A123-Y127 HydrophobicContact CB-CE1 4.42Å; G124-Y127 PolarHBondContact O-OH 3.11Å; Y127-V142 PolarHBondContact N-O 3.09Å; Y127-V142 PolarHBondContact O-N 3.39Å; Y127-D144 HydrophobicContact CE2-CB 4.19Å |
| 128 | D | 90.6 | Very high | 81.5 | Confident | 84 Ų | 84 | 73.3 Ų | 73.3 | 45% | 0.449 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 132.7 | 175.5 | -178.9 | -72.7 | 0 | 0 | 0 | 110.2 | L140 | D128-L140 WeakPolarHBondContact CA-O 3.48Å |
| 129 | R | 91.6 | Very high | 83.4 | Confident | 108 Ų | 108 | 68.4 Ų | 68.4 | 41% | 0.408 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 137.9 | 168.2 | -167.1 | 171.1 | -168.5 | 173 | 8.5 | 112.2 | F111 L140 | F111-R129 HydrophobicContact CD1-CB 4.37Å; F111-R129 HydrophobicContact CE1-CB 3.6Å; F111-R129 HydrophobicContact CE2-CB 4.39Å; F111-R129 HydrophobicContact CZ-CB 3.6Å; F111-R129 HydrophobicContact CZ-CG 4.42Å; F111-R129 WeakPolarHBondContact O-CD 3.35Å; F111-R129 PolarHBondContact O-NH1 3.16Å; R129-L140 PolarHBondContact N-O 3.26Å; R129-L140 PolarHBondContact O-N 2.93Å |
| 130 | S | 93.7 | Very high | 85.3 | Confident | 50 Ų | 50 | 63.2 Ų | 63.2 | 35% | 0.35 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 134.6 | 165.8 | -63.7 | 0 | 0 | 0 | 0 | 112 | E137 A138 S139 | S130-E137 WeakPolarHBondContact CB-OE1 3.42Å; S130-E137 PolarHBondContact OG-OE1 3.07Å; S130-A138 WeakPolarHBondContact CA-O 3.15Å; S130-S139 PolarHBondContact OG-OG 3.02Å |
| 131 | I | 94.3 | Very high | 87.2 | Confident | 32 Ų | 32 | 63.4 Ų | 63.4 | 16% | 0.164 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 148.6 | 174.3 | 59 | 169.2 | 0 | 0 | 0 | 110.3 | F111 V133 E137 A138 L140 F244 E245 V248 | F111-I131 HydrophobicContact CE2-CD1 4.48Å; F111-I131 HydrophobicContact CE2-CG2 3.94Å; F111-I131 HydrophobicContact CZ-CG2 4.4Å; I131-V133 HydrophobicContact CD1-CG2 3.73Å; I131-V133 HydrophobicContact CG1-CG2 3.91Å; I131-E137 CarbonylContact O-C 3.57Å; I131-A138 PolarHBondContact N-O 3.1Å; I131-A138 PolarHBondContact O-N 3.09Å; I131-L140 HydrophobicContact CD1-CD1 3.93Å; I131-L140 HydrophobicContact CG1-CD1 4.47Å; I131-F244 HydrophobicContact CD1-CB 4.24Å; I131-E245 HydrophobicContact CD1-CG 4.44Å; I131-V248 HydrophobicContact CD1-CG2 3.95Å; I131-V248 HydrophobicContact CG1-CG2 4.36Å |
| 132 | V | 95.1 | Very high | 89.1 | Confident | 97 Ų | 97 | 54.8 Ų | 54.8 | 59% | 0.588 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 120.3 | 174.2 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | ||
| 133 | V | 95.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 121.7 | 179.7 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | I131 G135 E136 E245 V248 R249 R252 | I131-V133 HydrophobicContact CD1-CG2 3.73Å; I131-V133 HydrophobicContact CG1-CG2 3.91Å; V133-G135 PolarHBondContact O-N 3.02Å; V133-E136 PolarHBondContact N-O 2.92Å; V133-E136 PolarHBondContact O-N 3Å; V133-E136 VanDerWaalsContact O-N 3.09Å; V133-E136 VanDerWaalsContact O-O 3.1Å; V133-E245 HydrophobicContact CG1-CB 4.31Å; V133-E245 HydrophobicContact CG2-CB 4.18Å; V133-E245 HydrophobicContact CG2-CG 4.09Å; V133-V248 HydrophobicContact CB-CB 4.3Å; V133-V248 HydrophobicContact CB-CG1 3.88Å; V133-V248 HydrophobicContact CG1-CB 4.31Å; V133-V248 HydrophobicContact CG1-CG1 4.13Å; V133-V248 HydrophobicContact CG2-CB 3.9Å; V133-V248 HydrophobicContact CG2-CG1 3.91Å; V133-V248 HydrophobicContact CG2-CG2 4.06Å; V133-R249 HydrophobicContact CG1-CG 3.7Å; V133-R252 PolarHBondContact O-NH1 2.93Å |
| 134 | D | 94.8 | Very high | 92.4 | Very high | 113 Ų | 113 | 50.2 Ų | 50.2 | 60% | 0.604 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 35 | 178.8 | -50.8 | -25.8 | 0 | 0 | 0 | 113.3 | R249 | D134-R249 IonicContact OD1-CZ 3.83Å; D134-R249 IonicContact OD1-NE 3.09Å; D134-R249 PolarHBondContact OD1-NE 2.86Å; D134-R249 VanDerWaalsContact OD1-NE 3.1Å; D134-R249 IonicContact OD1-NH2 3.57Å; D134-R249 PolarHBondContact OD1-NH2 3.28Å; D134-R249 WeakPolarHBondContact OD2-CG 3.26Å; D134-R249 IonicContact OD2-NE 3Å; D134-R249 PolarHBondContact OD2-NE 2.72Å; D134-R249 VanDerWaalsContact OD2-NE 3.09Å |
| 135 | G | 93.1 | Very high | 92.8 | Very high | 71 Ų | 71 | 49.8 Ų | 49.8 | 73% | 0.732 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | -4.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | V133 | V133-G135 PolarHBondContact O-N 3.02Š|
| 136 | E | 93.5 | Very high | 92.8 | Very high | 120 Ų | 120 | 47.2 Ų | 47.2 | 56% | 0.561 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134 | -178.5 | -66.2 | 175.5 | 175.9 | 0 | 0 | 111.1 | V133 R252 | V133-E136 PolarHBondContact N-O 2.92Å; V133-E136 PolarHBondContact O-N 3Å; V133-E136 VanDerWaalsContact O-N 3.09Å; V133-E136 VanDerWaalsContact O-O 3.1Å; E136-R252 VanDerWaalsContact CB-NH2 3.31Å; E136-R252 PolarHBondContact O-NH2 2.88Å; E136-R252 IonicContact OE2-CZ 3.49Å; E136-R252 IonicContact OE2-NE 3.35Å; E136-R252 IonicContact OE2-NH1 3.1Å; E136-R252 PolarHBondContact OE2-NH1 2.84Å; E136-R252 IonicContact OE2-NH2 2.73Å |
| 137 | E | 94.4 | Very high | 91.8 | Very high | 136 Ų | 136 | 49.2 Ų | 49.2 | 64% | 0.636 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 143.6 | 174.6 | -168.8 | 167.2 | -171.2 | 0 | 0 | 111.4 | S130 I131 R252 | S130-E137 WeakPolarHBondContact CB-OE1 3.42Å; S130-E137 PolarHBondContact OG-OE1 3.07Å; I131-E137 CarbonylContact O-C 3.57Å; E137-R252 PolarHBondContact O-NH2 3.39Å; E137-R252 VanDerWaalsContact O-NH2 3.08Å |
| 138 | A | 94.6 | Very high | 90.6 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 125.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y92 S130 I131 V248 | Y92-A138 HydrophobicContact CD2-CB 4.23Å; Y92-A138 HydrophobicContact CE2-CB 3.95Å; S130-A138 WeakPolarHBondContact CA-O 3.15Å; I131-A138 PolarHBondContact N-O 3.1Å; I131-A138 PolarHBondContact O-N 3.09Å; A138-V248 HydrophobicContact CB-CB 4.48Å; A138-V248 HydrophobicContact CB-CG1 3.69Å; A138-V248 HydrophobicContact CB-CG2 3.87Å |
| 139 | S | 95.2 | Very high | 88.9 | Confident | 17 Ų | 17 | 56.7 Ų | 56.7 | 12% | 0.119 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 126.9 | 172.9 | -55.9 | 0 | 0 | 0 | 0 | 110.1 | V91 Y92 S130 | V91-S139 WeakPolarHBondContact CA-O 3.37Å; Y92-S139 PolarHBondContact N-O 3.01Å; S130-S139 PolarHBondContact OG-OG 3.02Å |
| 140 | L | 95.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 136.3 | 174.3 | -59.8 | -175.5 | 0 | 0 | 0 | 110 | Y92 V94 F111 D128 R129 I131 V142 F244 V248 | Y92-L140 HydrophobicContact CD2-CD2 3.89Å; Y92-L140 HydrophobicContact CG-CD2 4.22Å; Y92-L140 WeakPolarHBondContact O-CA 3.5Å; V94-L140 HydrophobicContact CG2-CD2 4.05Å; F111-L140 HydrophobicContact CE1-CB 3.95Å; F111-L140 HydrophobicContact CE1-CD1 4.43Å; F111-L140 HydrophobicContact CE2-CD1 3.87Å; F111-L140 HydrophobicContact CZ-CB 3.65Å; F111-L140 HydrophobicContact CZ-CD1 3.61Å; F111-L140 HydrophobicContact CZ-CG 4.03Å; D128-L140 WeakPolarHBondContact CA-O 3.48Å; R129-L140 PolarHBondContact N-O 3.26Å; R129-L140 PolarHBondContact O-N 2.93Å; I131-L140 HydrophobicContact CD1-CD1 3.93Å; I131-L140 HydrophobicContact CG1-CD1 4.47Å; L140-V142 HydrophobicContact CB-CG2 4.43Å; L140-F244 HydrophobicContact CD1-CB 3.95Å; L140-F244 HydrophobicContact CD1-CD1 3.99Å; L140-F244 HydrophobicContact CD1-CG 4.4Å; L140-V248 HydrophobicContact CD1-CG2 4.09Å; L140-V248 HydrophobicContact CD2-CG2 3.66Å; L140-V248 HydrophobicContact CG-CG2 4.13Å |
| 141 | M | 94.7 | Very high | 85.1 | Confident | 27 Ų | 27 | 55.5 Ų | 55.5 | 13% | 0.133 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 106.6 | 165.4 | -174.3 | 167.6 | -73.2 | 0 | 0 | 108.9 | V42 V91 Y92 V94 T126 Y143 | V42-M141 HydrophobicContact CG2-CE 4.08Å; V91-M141 HydrophobicContact CG1-CB 3.64Å; Y92-M141 PolarHBondContact O-N 3.35Å; V94-M141 PolarHBondContact N-O 2.83Å; T126-M141 HydrophobicContact CG2-CG 3.5Å; T126-M141 VanDerWaalsContact CG2-CG 3.5Å; T126-M141 HydrophobicContact CG2-SD 3.91Å; M141-Y143 HydrophobicContact CB-CE2 4.29Å; M141-Y143 HydrophobicContact CG-CD2 4.46Å; M141-Y143 HydrophobicContact CG-CE1 4.26Å; M141-Y143 HydrophobicContact CG-CE2 3.77Å; M141-Y143 HydrophobicContact SD-CE1 4.16Å; M141-Y143 HydrophobicContact SD-CE2 4.22Å; M141-Y143 VanDerWaalsContact SD-CZ 3.58Å; M141-Y143 PolarHBondContact SD-OH 2.98Å |
| 142 | V | 95.6 | Very high | 83 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 121.5 | -176.8 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | V94 L96 A108 F111 T126 Y127 L140 F244 | V94-V142 HydrophobicContact CB-CG2 4.26Å; V94-V142 CarbonylContact O-C 3.56Å; V94-V142 WeakPolarHBondContact O-CA 3.26Å; L96-V142 HydrophobicContact CD1-CG1 3.88Å; L96-V142 HydrophobicContact CD2-CG1 4.07Å; L96-V142 HydrophobicContact CG-CG1 3.84Å; A108-V142 HydrophobicContact CB-CG1 4.23Å; F111-V142 HydrophobicContact CD1-CB 4.23Å; F111-V142 HydrophobicContact CD1-CG2 3.45Å; F111-V142 VanDerWaalsContact CD1-CG2 3.45Å; F111-V142 HydrophobicContact CE1-CG2 3.51Å; F111-V142 HydrophobicContact CG-CG2 4.29Å; F111-V142 HydrophobicContact CZ-CG2 4.41Å; T126-V142 CarbonylContact C-O 3.58Å; T126-V142 WeakPolarHBondContact CA-O 3.42Å; Y127-V142 PolarHBondContact N-O 3.09Å; Y127-V142 PolarHBondContact O-N 3.39Å; L140-V142 HydrophobicContact CB-CG2 4.43Å; V142-F244 HydrophobicContact CG1-CE1 4.29Å; V142-F244 HydrophobicContact CG2-CD1 4.22Å; V142-F244 HydrophobicContact CG2-CE1 3.7Å |
| 143 | Y | 93.5 | Very high | 81.1 | Confident | 22 Ų | 22 | 64.2 Ų | 64.2 | 9% | 0.086 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 120.9 | 179.4 | -59.8 | -90.7 | 0 | 0 | 0 | 111.2 | K93 V94 L95 L96 T126 M141 M161 | K93-Y143 HydrophobicContact CB-CE2 3.86Å; K93-Y143 HydrophobicContact CD-CE2 4.41Å; K93-Y143 HydrophobicContact CG-CE2 3.96Å; V94-Y143 PolarHBondContact O-N 3.3Å; L95-Y143 HydrophobicContact CD1-CD2 4.3Å; L95-Y143 HydrophobicContact CG-CD2 4.34Å; L96-Y143 PolarHBondContact N-O 3.19Å; L96-Y143 VanDerWaalsContact N-O 3.07Å; T126-Y143 HydrophobicContact CG2-CD1 4.02Å; T126-Y143 HydrophobicContact CG2-CE1 3.91Å; M141-Y143 HydrophobicContact CB-CE2 4.29Å; M141-Y143 HydrophobicContact CG-CD2 4.46Å; M141-Y143 HydrophobicContact CG-CE1 4.26Å; M141-Y143 HydrophobicContact CG-CE2 3.77Å; M141-Y143 HydrophobicContact SD-CE1 4.16Å; M141-Y143 HydrophobicContact SD-CE2 4.22Å; M141-Y143 VanDerWaalsContact SD-CZ 3.58Å; M141-Y143 PolarHBondContact SD-OH 2.98Å; Y143-M161 HydrophobicContact CE1-SD 4.4Å; Y143-M161 HydrophobicContact CE2-SD 4.33Å |
| 144 | D | 91.8 | Very high | 79.5 | Confident | 8 Ų | 8 | 70.5 Ų | 70.5 | 4% | 0.043 | 39% | 0.386 | C | S | . | . | trans | -107.2 | 56.4 | 173.8 | -176.6 | 42.6 | 0 | 0 | 0 | 110.8 | K104 S105 A108 H125 Y127 | K104-D144 VanDerWaalsContact CB-OD1 3.28Å; K104-D144 WeakPolarHBondContact CB-OD1 3.39Å; S105-D144 WeakPolarHBondContact CA-OD2 3.28Å; S105-D144 WeakPolarHBondContact CB-OD2 3.3Å; S105-D144 PolarHBondContact N-OD1 3.48Å; S105-D144 PolarHBondContact OG-OD2 2.76Å; A108-D144 HydrophobicContact CB-CB 4.11Å; H125-D144 WeakPolarHBondContact CB-O 3.41Å; H125-D144 PolarHBondContact O-N 2.7Å; Y127-D144 HydrophobicContact CE2-CB 4.19Å | ||
| 145 | I | 85.1 | Confident | 78.2 | Confident | 21 Ų | 21 | 68.7 Ų | 68.7 | 11% | 0.108 | 38% | 0.38 | C | S | . | . | trans | -107.9 | 2.3 | -174.3 | 61.7 | 175.9 | 0 | 0 | 0 | 113.5 | H125 W153 | H125-I145 HydrophobicContact CB-CG2 3.68Å; I145-W153 HydrophobicContact CD1-CD2 4.36Å; I145-W153 HydrophobicContact CD1-CG 4.48Å | ||
| 146 | W | 84.6 | Confident | 77 | Confident | 16 Ų | 16 | 67.7 Ų | 67.7 | 6% | 0.061 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 124.7 | -174.8 | 178.8 | -92.3 | 0 | 0 | 0 | 112.8 | L96 L97 G98 K104 Q148 P155 M159 L183 | L96-W146 WeakPolarHBondContact O-CB 3.38Å; L97-W146 HydrophobicContact CB-CG 4.44Å; L97-W146 HydrophobicContact CD2-CB 4.05Å; L97-W146 HydrophobicContact CD2-CD2 3.7Å; L97-W146 HydrophobicContact CD2-CE3 3.5Å; L97-W146 HydrophobicContact CD2-CG 3.92Å; L97-W146 HydrophobicContact CD2-CZ3 4.28Å; G98-W146 PolarHBondContact O-NE1 3.29Å; K104-W146 WeakPolarHBondContact CE-O 3.48Å; W146-Q148 PolarHBondContact O-N 2.82Å; W146-P155 HydrophobicContact CH2-CB 4.08Å; W146-P155 HydrophobicContact CZ3-CB 3.95Å; W146-M159 HydrophobicContact CH2-CE 4.05Å; W146-M159 HydrophobicContact CZ3-CE 4.25Å; W146-L183 HydrophobicContact CH2-CD2 3.82Å; W146-L183 HydrophobicContact CZ2-CD2 3.27Å |
| 147 | E | 69.5 | Low | 75.8 | Confident | 94 Ų | 94 | 65.4 Ų | 65.4 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 43.2 | 178.2 | -76.2 | 178.2 | 166.3 | 0 | 0 | 112.9 | ||
| 148 | Q | 64.7 | Low | 74.8 | Confident | 86 Ų | 86 | 59.1 Ų | 59.1 | 40% | 0.402 | 33% | 0.33 | S | S | . | . | trans | -83.5 | 137.4 | 170.8 | -159.9 | -168.2 | 6.2 | 0 | 0 | 110.8 | H125 W146 G150 G151 | H125-Q148 PolarHBondContact CD2-OE1 2.82Å; H125-Q148 PolarHBondContact CE1-NE2 3.17Å; H125-Q148 PolarHBondContact NE2-NE2 3.39Å; H125-Q148 PolarHBondContact NE2-OE1 3.35Å; W146-Q148 PolarHBondContact O-N 2.82Å; Q148-G150 PolarHBondContact O-N 3.36Å; Q148-G151 PolarHBondContact O-N 2.93Å | ||
| 149 | D | 56.2 | Low | 73.9 | Confident | 167 Ų | 167 | 59.4 Ų | 59.4 | 89% | 0.893 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 121.4 | 175.8 | -70.2 | -39.6 | 0 | 0 | 0 | 110.9 | ||
| 150 | G | 54.5 | Low | 73.1 | Confident | 84 Ų | 84 | 61.4 Ų | 61.4 | 87% | 0.866 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | 8.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116 | Q148 R152 | Q148-G150 PolarHBondContact O-N 3.36Å; G150-R152 PolarHBondContact O-N 3.47Å; G150-R152 VanDerWaalsContact O-N 3.15Å |
| 151 | G | 50.1 | Low | 72.5 | Confident | 49 Ų | 49 | 63.2 Ų | 63.2 | 51% | 0.505 | 36% | 0.357 | S | S | . | . | trans | -56.2 | 110.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q148 W153 | Q148-G151 PolarHBondContact O-N 2.93Å; G151-W153 PolarHBondContact O-N 2.99Å | ||
| 152 | R | 50.4 | Low | 72.2 | Confident | 205 Ų | 205 | 62 Ų | 62 | 77% | 0.774 | 35% | 0.352 | S | S | * | . | trans | -70.1 | -4 | 170.6 | -156.8 | 176.2 | 176.3 | -147 | 1.9 | 113.6 | G150 | G150-R152 PolarHBondContact O-N 3.47Å; G150-R152 VanDerWaalsContact O-N 3.15Å | ||
| 153 | W | 55.5 | Low | 72.1 | Confident | 106 Ų | 106 | 64.5 Ų | 64.5 | 40% | 0.402 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -99.8 | 121.5 | -174 | -64.5 | 90.1 | 0 | 0 | 0 | 111.4 | L47 I145 G151 H157 M161 | L47-W153 HydrophobicContact CD2-CH2 4.16Å; I145-W153 HydrophobicContact CD1-CD2 4.36Å; I145-W153 HydrophobicContact CD1-CG 4.48Å; G151-W153 PolarHBondContact O-N 2.99Å; W153-H157 AromaticContact CE3-CD2 3.65Å; W153-H157 AromaticContact CZ3-CD2 3.56Å; W153-H157 AromaticContact CZ3-NE2 3.75Å; W153-M161 HydrophobicContact CE3-CE 4.34Å; W153-M161 HydrophobicContact CZ3-CE 3.83Å |
| 154 | L | 61.4 | Low | 72.2 | Confident | 134 Ų | 134 | 63.5 Ų | 63.5 | 70% | 0.702 | 36% | 0.361 | S | S | * | . | trans | -70.8 | 132.3 | 177.7 | -65 | 171.1 | 0 | 0 | 0 | 109.5 | G156 H157 C158 | L154-G156 PolarHBondContact O-N 3.05Å; L154-H157 WeakPolarHBondContact O-CB 3.41Å; L154-H157 PolarHBondContact O-N 3.48Å; L154-C158 PolarHBondContact O-N 2.96Å | ||
| 155 | P | 68.1 | Low | 72.4 | Confident | 74 Ų | 74 | 63.1 Ų | 63.1 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -48.2 | -35.1 | 177 | -32 | 36.1 | 0 | 0 | 0 | 114.1 | W146 H157 C158 M159 | W146-P155 HydrophobicContact CH2-CB 4.08Å; W146-P155 HydrophobicContact CZ3-CB 3.95Å; P155-H157 VanDerWaalsContact C-N 3.33Å; P155-H157 PolarHBondContact O-N 3.22Å; P155-C158 PolarHBondContact O-N 3.48Å; P155-M159 VanDerWaalsContact O-CG 3.3Å; P155-M159 WeakPolarHBondContact O-CG 3.23Å; P155-M159 PolarHBondContact O-N 3.42Å; P155-M159 VanDerWaalsContact O-N 3.1Å |
| 156 | G | 66.9 | Low | 73.1 | Confident | 50 Ų | 50 | 62.1 Ų | 62.1 | 52% | 0.515 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64 | -32 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L154 A160 | L154-G156 PolarHBondContact O-N 3.05Å; G156-A160 PolarHBondContact O-N 3.31Å |
| 157 | H | 70.1 | Confident | 73.7 | Confident | 72 Ų | 72 | 61.4 Ų | 61.4 | 33% | 0.333 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -72.9 | -44.1 | 177.6 | -165.2 | 82.8 | 0 | 0 | 0 | 111.3 | W153 L154 P155 M159 A160 M161 | W153-H157 AromaticContact CE3-CD2 3.65Å; W153-H157 AromaticContact CZ3-CD2 3.56Å; W153-H157 AromaticContact CZ3-NE2 3.75Å; L154-H157 WeakPolarHBondContact O-CB 3.41Å; L154-H157 PolarHBondContact O-N 3.48Å; P155-H157 VanDerWaalsContact C-N 3.33Å; P155-H157 PolarHBondContact O-N 3.22Å; H157-M159 VanDerWaalsContact C-N 3.29Å; H157-M159 PolarHBondContact O-N 3.48Å; H157-A160 PolarHBondContact O-N 3.19Å; H157-M161 WeakPolarHBondContact CD2-CE 3.22Å; H157-M161 WeakPolarHBondContact NE2-CE 3.25Å; H157-M161 PolarHBondContact O-N 3Å; H157-M161 VanDerWaalsContact O-N 3.16Å |
| 158 | C | 71.6 | Confident | 75.1 | Confident | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.027 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.3 | -43.7 | 174 | -60.5 | 0 | 0 | 0 | 0 | 111 | L95 L154 P155 A160 M161 Y165 | L95-C158 HydrophobicContact CD2-CB 3.67Å; L95-C158 WeakPolarHBondContact CD2-O 3.38Å; L154-C158 PolarHBondContact O-N 2.96Å; P155-C158 PolarHBondContact O-N 3.48Å; C158-A160 PolarHBondContact O-N 3.35Å; C158-M161 PolarHBondContact O-N 3Å; C158-Y165 WeakPolarHBondContact O-CE1 3.48Å; C158-Y165 PolarHBondContact O-OH 2.93Å |
| 159 | M | 76.1 | Confident | 76.7 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 6% | 0.059 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.6 | -17.1 | 177.5 | -70.1 | 179.8 | -179.2 | 0 | 0 | 114.5 | W146 P155 H157 Y165 Q186 L187 A190 R191 | W146-M159 HydrophobicContact CH2-CE 4.05Å; W146-M159 HydrophobicContact CZ3-CE 4.25Å; P155-M159 VanDerWaalsContact O-CG 3.3Å; P155-M159 WeakPolarHBondContact O-CG 3.23Å; P155-M159 PolarHBondContact O-N 3.42Å; P155-M159 VanDerWaalsContact O-N 3.1Å; H157-M159 VanDerWaalsContact C-N 3.29Å; H157-M159 PolarHBondContact O-N 3.48Å; M159-Y165 PolarHBondContact O-OH 2.82Å; M159-Q186 HydrophobicContact CE-CB 3.68Å; M159-Q186 HydrophobicContact SD-CB 4.33Å; M159-L187 HydrophobicContact CB-CD1 4.01Å; M159-L187 HydrophobicContact CG-CD1 4.05Å; M159-A190 HydrophobicContact CB-CB 3.84Å; M159-A190 HydrophobicContact CG-CB 4.49Å; M159-A190 HydrophobicContact SD-CB 4Å; M159-R191 WeakPolarHBondContact O-CD 3.4Å; M159-R191 WeakPolarHBondContact O-CG 3.5Å; M159-R191 PolarHBondContact O-NH1 3.27Å; M159-R191 VanDerWaalsContact O-NH1 3.08Å |
| 160 | A | 78.1 | Confident | 78.7 | Confident | 59 Ų | 59 | 45 Ų | 45 | 49% | 0.488 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -98.7 | -21.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | G156 H157 C158 R191 | G156-A160 PolarHBondContact O-N 3.31Å; H157-A160 PolarHBondContact O-N 3.19Å; C158-A160 PolarHBondContact O-N 3.35Å; A160-R191 PolarHBondContact O-NH1 3.21Å |
| 161 | M | 83.1 | Confident | 80.9 | Confident | 37 Ų | 37 | 41 Ų | 41 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -84.6 | -26.4 | -167.1 | -167.2 | -164.2 | -54.7 | 0 | 0 | 115.2 | K93 L95 Y143 W153 H157 C158 Y165 | K93-M161 HydrophobicContact CD-CG 4.3Å; L95-M161 HydrophobicContact CD1-CB 4.42Å; Y143-M161 HydrophobicContact CE1-SD 4.4Å; Y143-M161 HydrophobicContact CE2-SD 4.33Å; W153-M161 HydrophobicContact CE3-CE 4.34Å; W153-M161 HydrophobicContact CZ3-CE 3.83Å; H157-M161 WeakPolarHBondContact CD2-CE 3.22Å; H157-M161 WeakPolarHBondContact NE2-CE 3.25Å; H157-M161 PolarHBondContact O-N 3Å; H157-M161 VanDerWaalsContact O-N 3.16Å; C158-M161 PolarHBondContact O-N 3Å; M161-Y165 PolarHBondContact N-OH 3.06Å |
| 162 | G | 88.4 | Confident | 83.2 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | trans | -81.6 | 138.3 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A164 Y165 R191 | G162-A164 VanDerWaalsContact C-N 3.31Å; G162-Y165 WeakPolarHBondContact CA-OH 3.36Å; G162-Y165 PolarHBondContact N-OH 3.31Å; G162-R191 PolarHBondContact O-NH1 2.74Å | ||
| 163 | D | 93.6 | Very high | 85.5 | Confident | 53 Ų | 53 | 33.2 Ų | 33.2 | 28% | 0.283 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -77.6 | -21.4 | 161.9 | -63.5 | -59.7 | 0 | 0 | 0 | 111.5 | K93 V196 P197 I251 | K93-D163 PolarHBondContact N-OD2 2.9Å; K93-D163 PolarHBondContact O-N 3.44Å; D163-V196 WeakPolarHBondContact O-CG1 3.34Å; D163-P197 WeakPolarHBondContact O-CD 3.4Å; D163-P197 VanDerWaalsContact O-CG 3.3Å; D163-P197 WeakPolarHBondContact O-CG 3.39Å; D163-I251 HydrophobicContact CB-CD1 4.3Å |
| 164 | A | 96.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 155.2 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | K93 V94 L95 G162 P197 V247 I251 | K93-A164 PolarHBondContact O-N 2.71Å; K93-A164 VanDerWaalsContact O-N 3.12Å; V94-A164 HydrophobicContact CG1-CB 4.48Å; V94-A164 HydrophobicContact CG2-CB 4.39Å; L95-A164 PolarHBondContact N-O 3.43Å; G162-A164 VanDerWaalsContact C-N 3.31Å; A164-P197 WeakPolarHBondContact CA-O 3.27Å; A164-P197 HydrophobicContact CB-CG 3.73Å; A164-V247 HydrophobicContact CB-CG1 3.58Å; A164-I251 HydrophobicContact CB-CD1 3.85Å; A164-I251 HydrophobicContact CB-CG1 4Å |
| 165 | Y | 97.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 132.6 | 176.1 | -67.1 | -85.9 | 0 | 0 | 0 | 111.4 | L95 L97 C158 M159 M161 G162 L187 R191 V196 P197 I198 I199 | L95-Y165 HydrophobicContact CB-CD1 3.84Å; L95-Y165 HydrophobicContact CB-CE1 3.85Å; L95-Y165 HydrophobicContact CD1-CE1 4.16Å; L95-Y165 HydrophobicContact CD2-CE1 4.24Å; L95-Y165 HydrophobicContact CG-CE1 4.31Å; L97-Y165 HydrophobicContact CD1-CD1 3.76Å; L97-Y165 HydrophobicContact CD1-CE1 4.45Å; L97-Y165 HydrophobicContact CG-CD1 4.24Å; C158-Y165 WeakPolarHBondContact O-CE1 3.48Å; C158-Y165 PolarHBondContact O-OH 2.93Å; M159-Y165 PolarHBondContact O-OH 2.82Å; M161-Y165 PolarHBondContact N-OH 3.06Å; G162-Y165 WeakPolarHBondContact CA-OH 3.36Å; G162-Y165 PolarHBondContact N-OH 3.31Å; Y165-L187 HydrophobicContact CD1-CD1 4.08Å; Y165-L187 HydrophobicContact CD1-CD2 3.97Å; Y165-L187 HydrophobicContact CD2-CD1 4Å; Y165-L187 HydrophobicContact CD2-CD2 3.66Å; Y165-L187 HydrophobicContact CD2-CG 4.37Å; Y165-L187 HydrophobicContact CE1-CD1 3.9Å; Y165-L187 HydrophobicContact CE2-CD1 3.83Å; Y165-L187 HydrophobicContact CE2-CD2 4.35Å; Y165-L187 HydrophobicContact CG-CD1 4.14Å; Y165-L187 HydrophobicContact CG-CD2 3.45Å; Y165-L187 VanDerWaalsContact CG-CD2 3.45Å; Y165-L187 HydrophobicContact CG-CG 4.44Å; Y165-R191 PolarHBondContact OH-NH1 3.17Å; Y165-R191 VanDerWaalsContact OH-NH1 3.08Å; Y165-V196 HydrophobicContact CD2-CG1 3.7Å; Y165-V196 HydrophobicContact CE2-CG1 3.82Å; Y165-P197 PolarHBondContact N-O 2.99Å; Y165-I198 WeakPolarHBondContact O-CA 3.48Å; Y165-I199 PolarHBondContact O-N 3.05Å |
| 166 | V | 98.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 111.9 | 173.5 | -178.6 | 0 | 0 | 0 | 0 | 107.6 | V94 L95 L96 L97 V168 I199 V201 L243 V247 | V94-V166 HydrophobicContact CG1-CG2 3.83Å; L95-V166 PolarHBondContact O-N 2.77Å; L96-V166 WeakPolarHBondContact CA-O 3.44Å; L96-V166 HydrophobicContact CD2-CB 3.68Å; L96-V166 HydrophobicContact CD2-CG1 4.11Å; L96-V166 HydrophobicContact CD2-CG2 4.14Å; L97-V166 PolarHBondContact N-O 3.02Å; V166-V168 HydrophobicContact CG1-CG2 3.9Å; V166-I199 CarbonylContact C-O 3.6Å; V166-I199 WeakPolarHBondContact CA-O 3.42Å; V166-V201 HydrophobicContact CG1-CB 4.33Å; V166-V201 HydrophobicContact CG1-CG2 3.44Å; V166-V201 VanDerWaalsContact CG1-CG2 3.44Å; V166-L243 HydrophobicContact CG1-CD1 4.15Å; V166-L243 HydrophobicContact CG1-CD2 4.26Å; V166-L243 HydrophobicContact CG2-CD1 4.43Å; V166-V247 HydrophobicContact CG2-CG2 3.9Å |
| 167 | I | 98.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 112.6 | 178.8 | -53.3 | 179.2 | 0 | 0 | 0 | 107.8 | L97 A180 L183 R184 I198 I199 L200 V201 | L97-I167 HydrophobicContact CB-CG1 4.37Å; L97-I167 HydrophobicContact CD1-CG1 4.36Å; L97-I167 WeakPolarHBondContact O-CA 3.38Å; I167-A180 HydrophobicContact CG2-CB 3.58Å; I167-L183 HydrophobicContact CG2-CB 4.39Å; I167-L183 HydrophobicContact CG2-CD1 4.46Å; I167-R184 HydrophobicContact CD1-CB 3.75Å; I167-I198 HydrophobicContact CD1-CG2 3.77Å; I167-I198 HydrophobicContact CG1-CG2 4.08Å; I167-I199 PolarHBondContact N-O 3.19Å; I167-L200 HydrophobicContact CB-CD1 4.35Å; I167-L200 HydrophobicContact CG2-CD1 4.36Å; I167-L200 WeakPolarHBondContact O-CA 3.48Å; I167-V201 PolarHBondContact O-N 3.12Å |
| 168 | V | 98.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 133.2 | -173.3 | -169.2 | 0 | 0 | 0 | 0 | 110.1 | L97 G98 V102 K104 L107 V166 V201 N203 | L97-V168 PolarHBondContact O-N 3.32Å; G98-V168 WeakPolarHBondContact CA-O 3.47Å; V102-V168 HydrophobicContact CB-CG1 4.33Å; V102-V168 HydrophobicContact CG2-CB 3.95Å; V102-V168 HydrophobicContact CG2-CG1 3.88Å; K104-V168 HydrophobicContact CG-CB 4.27Å; K104-V168 HydrophobicContact CG-CG2 4.37Å; L107-V168 HydrophobicContact CD1-CG1 4.04Å; L107-V168 HydrophobicContact CD1-CG2 4.08Å; V166-V168 HydrophobicContact CG1-CG2 3.9Å; V168-V201 WeakPolarHBondContact CA-O 3.43Å; V168-V201 HydrophobicContact CG1-CG1 4.44Å; V168-V201 HydrophobicContact CG2-CB 4.33Å; V168-N203 HydrophobicContact CG1-CB 3.81Å |
| 169 | Y | 98.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 165.8 | 165.8 | 72.1 | -84.8 | 0 | 0 | 0 | 110 | V171 F177 A180 L200 V201 G202 N203 V213 F229 | Y169-V171 HydrophobicContact CE2-CG1 4.24Å; Y169-F177 AromaticContact CD1-CD2 3.9Å; Y169-F177 HydrophobicContact CD1-CD2 3.9Å; Y169-F177 HydrophobicContact CD2-CB 3.75Å; Y169-F177 AromaticContact CD2-CD2 3.75Å; Y169-F177 HydrophobicContact CD2-CD2 3.75Å; Y169-F177 HydrophobicContact CD2-CG 4.19Å; Y169-F177 AromaticContact CE1-CD2 3.78Å; Y169-F177 HydrophobicContact CE1-CD2 3.78Å; Y169-F177 HydrophobicContact CE1-CE2 4.11Å; Y169-F177 HydrophobicContact CE2-CB 4.25Å; Y169-F177 AromaticContact CE2-CD2 3.63Å; Y169-F177 HydrophobicContact CE2-CD2 3.63Å; Y169-F177 HydrophobicContact CE2-CE2 4.35Å; Y169-F177 HydrophobicContact CE2-CG 4.26Å; Y169-F177 HydrophobicContact CG-CB 4.14Å; Y169-F177 AromaticContact CG-CD2 3.89Å; Y169-F177 HydrophobicContact CG-CD2 3.89Å; Y169-F177 AromaticContact CZ-CD2 3.64Å; Y169-F177 AromaticContact CZ-CE2 3.98Å; Y169-A180 HydrophobicContact CD1-CB 4.49Å; Y169-L200 HydrophobicContact CD1-CD1 3.89Å; Y169-L200 HydrophobicContact CD1-CG 4.25Å; Y169-L200 HydrophobicContact CE1-CD1 4.07Å; Y169-L200 HydrophobicContact CE1-CD2 4.25Å; Y169-L200 HydrophobicContact CE1-CG 3.93Å; Y169-V201 WeakPolarHBondContact CD1-O 3.33Å; Y169-V201 PolarHBondContact N-O 2.78Å; Y169-G202 VanDerWaalsContact CE1-CA 3.48Å; Y169-G202 VanDerWaalsContact CZ-CA 3.44Å; Y169-N203 WeakPolarHBondContact O-CB 3.39Å; Y169-N203 PolarHBondContact O-N 3.24Å; Y169-V213 HydrophobicContact CE2-CB 4.08Å; Y169-V213 HydrophobicContact CE2-CG1 3.87Å; Y169-V213 HydrophobicContact CE2-CG2 4.42Å; Y169-F229 HydrophobicContact CE1-CE2 4.25Å; Y169-F229 WeakPolarHBondContact OH-CE2 3.24Å |
| 170 | S | 98.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.4 | 172.8 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | T172 D173 S176 K204 | S170-T172 PolarHBondContact O-N 3.43Å; S170-T172 PolarHBondContact OG-OG1 3.49Å; S170-D173 PolarHBondContact O-N 2.86Å; S170-S176 PolarHBondContact N-OG 3.4Å; S170-S176 PolarHBondContact O-OG 2.93Å; S170-K204 VanDerWaalsContact OG-CD 3.25Å; S170-K204 WeakPolarHBondContact OG-CD 3.43Å; S170-K204 WeakPolarHBondContact OG-CE 3.4Å |
| 171 | V | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -14.2 | 176.4 | -56.6 | 0 | 0 | 0 | 0 | 113 | Y169 N203 K204 R211 E212 V213 | Y169-V171 HydrophobicContact CE2-CG1 4.24Å; V171-N203 PolarHBondContact N-O 3.27Å; V171-K204 VanDerWaalsContact CG2-O 3.22Å; V171-K204 WeakPolarHBondContact CG2-O 3.17Å; V171-R211 HydrophobicContact CB-CG 4.45Å; V171-E212 PolarHBondContact O-N 2.81Å; V171-V213 PolarHBondContact O-N 3.48Å |
| 172 | T | 98.7 | Very high | 97.3 | Very high | 27 Ų | 27 | 29.2 Ų | 29.2 | 17% | 0.166 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 7.9 | 178.5 | 71.4 | 0 | 0 | 0 | 0 | 114 | S170 L207 S210 | S170-T172 PolarHBondContact O-N 3.43Å; S170-T172 PolarHBondContact OG-OG1 3.49Å; T172-L207 HydrophobicContact CG2-CB 3.48Å; T172-L207 VanDerWaalsContact CG2-CB 3.48Å; T172-L207 HydrophobicContact CG2-CD1 3.81Å; T172-L207 HydrophobicContact CG2-CG 4.27Å; T172-S210 VanDerWaalsContact CA-O 3.25Å; T172-S210 WeakPolarHBondContact CA-O 3.33Å; T172-S210 VanDerWaalsContact CB-O 3.26Å; T172-S210 WeakPolarHBondContact CB-O 3.47Å; T172-S210 WeakPolarHBondContact CG2-O 3.39Å |
| 173 | D | 98.6 | Very high | 97.5 | Very high | 65 Ų | 65 | 29.1 Ų | 29.1 | 35% | 0.348 | 15% | 0.153 | S | C | . | . | trans | -143.8 | 101.3 | -178.5 | 173.3 | -0.1 | 0 | 0 | 0 | 108.8 | S170 G175 S176 F177 E212 | S170-D173 PolarHBondContact O-N 2.86Å; D173-G175 VanDerWaalsContact C-N 3.27Å; D173-G175 PolarHBondContact O-N 3.1Å; D173-G175 WeakPolarHBondContact OD1-CA 3.3Å; D173-G175 PolarHBondContact OD1-N 3.3Å; D173-S176 PolarHBondContact O-N 3.01Å; D173-S176 PolarHBondContact O-OG 2.97Å; D173-S176 PolarHBondContact OD1-N 3.16Å; D173-S176 WeakPolarHBondContact OD2-CB 3.35Å; D173-F177 PolarHBondContact O-N 2.92Å; D173-E212 WeakPolarHBondContact CA-OE2 3.38Å | ||
| 174 | K | 98.5 | Very high | 97.6 | Very high | 102 Ų | 102 | 27.7 Ų | 27.7 | 44% | 0.443 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -62.2 | -33.5 | 178.6 | -174.4 | 173.1 | 177.6 | 174.9 | 0 | 112.8 | S176 F177 E178 E212 V213 | K174-S176 VanDerWaalsContact C-N 3.31Å; K174-S176 PolarHBondContact O-N 3.39Å; K174-F177 WeakPolarHBondContact O-CB 3.2Å; K174-F177 PolarHBondContact O-N 3.22Å; K174-F177 VanDerWaalsContact O-N 3.12Å; K174-E178 PolarHBondContact O-N 3.11Å; K174-E212 HydrophobicContact CB-CB 4.3Å; K174-E212 PolarHBondContact N-OE2 3.04Å; K174-V213 HydrophobicContact CB-CG2 4.38Å |
| 175 | G | 98.5 | Very high | 97.4 | Very high | 41 Ų | 41 | 30 Ų | 30 | 42% | 0.423 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.9 | -38.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | D173 F177 E178 K179 | D173-G175 VanDerWaalsContact C-N 3.27Å; D173-G175 PolarHBondContact O-N 3.1Å; D173-G175 WeakPolarHBondContact OD1-CA 3.3Å; D173-G175 PolarHBondContact OD1-N 3.3Å; G175-F177 VanDerWaalsContact C-N 3.27Å; G175-F177 PolarHBondContact O-N 3.48Å; G175-E178 PolarHBondContact O-N 2.8Å; G175-K179 WeakPolarHBondContact O-CB 3.48Å; G175-K179 PolarHBondContact O-N 3.39Å |
| 176 | S | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.8 | -31.8 | 174.2 | 79.1 | 0 | 0 | 0 | 0 | 113.4 | S170 D173 K174 A180 | S170-S176 PolarHBondContact N-OG 3.4Å; S170-S176 PolarHBondContact O-OG 2.93Å; D173-S176 PolarHBondContact O-N 3.01Å; D173-S176 PolarHBondContact O-OG 2.97Å; D173-S176 PolarHBondContact OD1-N 3.16Å; D173-S176 WeakPolarHBondContact OD2-CB 3.35Å; K174-S176 VanDerWaalsContact C-N 3.31Å; K174-S176 PolarHBondContact O-N 3.39Å; S176-A180 PolarHBondContact O-N 2.91Å |
| 177 | F | 98.7 | Very high | 96.8 | Very high | 26 Ų | 26 | 33.8 Ų | 33.8 | 11% | 0.114 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -73.6 | -41.4 | 177.3 | 176.3 | -112.2 | 0 | 0 | 0 | 112.5 | Y169 D173 K174 G175 K179 A180 S181 L200 V213 C221 | Y169-F177 AromaticContact CD1-CD2 3.9Å; Y169-F177 HydrophobicContact CD1-CD2 3.9Å; Y169-F177 HydrophobicContact CD2-CB 3.75Å; Y169-F177 AromaticContact CD2-CD2 3.75Å; Y169-F177 HydrophobicContact CD2-CD2 3.75Å; Y169-F177 HydrophobicContact CD2-CG 4.19Å; Y169-F177 AromaticContact CE1-CD2 3.78Å; Y169-F177 HydrophobicContact CE1-CD2 3.78Å; Y169-F177 HydrophobicContact CE1-CE2 4.11Å; Y169-F177 HydrophobicContact CE2-CB 4.25Å; Y169-F177 AromaticContact CE2-CD2 3.63Å; Y169-F177 HydrophobicContact CE2-CD2 3.63Å; Y169-F177 HydrophobicContact CE2-CE2 4.35Å; Y169-F177 HydrophobicContact CE2-CG 4.26Å; Y169-F177 HydrophobicContact CG-CB 4.14Å; Y169-F177 AromaticContact CG-CD2 3.89Å; Y169-F177 HydrophobicContact CG-CD2 3.89Å; Y169-F177 AromaticContact CZ-CD2 3.64Å; Y169-F177 AromaticContact CZ-CE2 3.98Å; D173-F177 PolarHBondContact O-N 2.92Å; K174-F177 WeakPolarHBondContact O-CB 3.2Å; K174-F177 PolarHBondContact O-N 3.22Å; K174-F177 VanDerWaalsContact O-N 3.12Å; G175-F177 VanDerWaalsContact C-N 3.27Å; G175-F177 PolarHBondContact O-N 3.48Å; F177-K179 VanDerWaalsContact C-N 3.29Å; F177-K179 PolarHBondContact O-N 2.97Å; F177-A180 WeakPolarHBondContact O-CB 3.42Å; F177-A180 PolarHBondContact O-N 3.27Å; F177-S181 PolarHBondContact O-N 2.96Å; F177-S181 PolarHBondContact O-OG 3.12Å; F177-L200 HydrophobicContact CE2-CD2 4.43Å; F177-V213 HydrophobicContact CB-CG2 3.84Å; F177-V213 HydrophobicContact CD1-CG1 4.14Å; F177-V213 HydrophobicContact CD1-CG2 4.25Å; F177-V213 HydrophobicContact CD2-CG1 4.09Å; F177-V213 HydrophobicContact CE1-CG1 4.24Å; F177-V213 HydrophobicContact CE2-CG1 4.2Å; F177-V213 HydrophobicContact CG-CG1 4.03Å; F177-V213 HydrophobicContact CG-CG2 4.06Å; F177-V213 HydrophobicContact CZ-CG1 4.25Å; F177-C221 HydrophobicContact CE2-CB 3.97Å; F177-C221 HydrophobicContact CZ-CB 3.55Å |
| 178 | E | 98.3 | Very high | 96.4 | Very high | 108 Ų | 108 | 41.3 Ų | 41.3 | 51% | 0.505 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.1 | -43.9 | 171.3 | -69 | 174.1 | -173.8 | 0 | 0 | 110.2 | K174 G175 A180 S181 E182 | K174-E178 PolarHBondContact O-N 3.11Å; G175-E178 PolarHBondContact O-N 2.8Å; E178-A180 PolarHBondContact O-N 3.08Å; E178-S181 WeakPolarHBondContact O-CB 3.5Å; E178-S181 PolarHBondContact O-N 2.69Å; E178-S181 VanDerWaalsContact O-N 3.11Å; E178-E182 PolarHBondContact O-N 2.81Å; E178-E182 VanDerWaalsContact O-N 3.09Å |
| 179 | K | 96.9 | Very high | 95.8 | Very high | 61 Ų | 61 | 49.7 Ų | 49.7 | 27% | 0.265 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61 | -41.4 | 175.8 | -170.8 | 58.6 | 173.5 | -174.8 | 0 | 113.1 | A99 G175 F177 S181 E182 L183 | A99-K179 HydrophobicContact CB-CB 4.45Å; A99-K179 HydrophobicContact CB-CG 4.29Å; G175-K179 WeakPolarHBondContact O-CB 3.48Å; G175-K179 PolarHBondContact O-N 3.39Å; F177-K179 VanDerWaalsContact C-N 3.29Å; F177-K179 PolarHBondContact O-N 2.97Å; K179-S181 PolarHBondContact O-N 2.82Å; K179-E182 VanDerWaalsContact CD-OE2 3.28Å; K179-E182 WeakPolarHBondContact CD-OE2 3.44Å; K179-E182 IonicContact NZ-OE2 3.42Å; K179-E182 PolarHBondContact NZ-OE2 3.17Å; K179-E182 WeakPolarHBondContact O-CB 3.36Å; K179-E182 PolarHBondContact O-N 2.94Å; K179-L183 HydrophobicContact CG-CD1 4.32Å; K179-L183 WeakPolarHBondContact O-CG 3.47Å; K179-L183 PolarHBondContact O-N 3.31Å |
| 180 | A | 97.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.7 | -38.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I167 Y169 S176 F177 E178 L183 R184 L200 | I167-A180 HydrophobicContact CG2-CB 3.58Å; Y169-A180 HydrophobicContact CD1-CB 4.49Å; S176-A180 PolarHBondContact O-N 2.91Å; F177-A180 WeakPolarHBondContact O-CB 3.42Å; F177-A180 PolarHBondContact O-N 3.27Å; E178-A180 PolarHBondContact O-N 3.08Å; A180-L183 PolarHBondContact O-N 3.01Å; A180-R184 WeakPolarHBondContact O-CB 3.42Å; A180-R184 PolarHBondContact O-N 3.29Å; A180-L200 HydrophobicContact CB-CD1 4Å |
| 181 | S | 96.4 | Very high | 94.4 | Very high | 25 Ų | 25 | 54.2 Ų | 54.2 | 18% | 0.175 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 175.8 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | F177 E178 K179 R184 V185 | F177-S181 PolarHBondContact O-N 2.96Å; F177-S181 PolarHBondContact O-OG 3.12Å; E178-S181 WeakPolarHBondContact O-CB 3.5Å; E178-S181 PolarHBondContact O-N 2.69Å; E178-S181 VanDerWaalsContact O-N 3.11Å; K179-S181 PolarHBondContact O-N 2.82Å; S181-R184 WeakPolarHBondContact O-CB 3.34Å; S181-R184 PolarHBondContact O-N 2.75Å; S181-V185 WeakPolarHBondContact O-CG2 3.41Å; S181-V185 PolarHBondContact O-N 3.17Å |
| 182 | E | 95.4 | Very high | 93.3 | Very high | 98 Ų | 98 | 61.8 Ų | 61.8 | 46% | 0.458 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60 | -48 | 173.2 | -65.1 | 179.6 | 175.5 | 0 | 0 | 112 | E178 K179 R184 V185 Q186 | E178-E182 PolarHBondContact O-N 2.81Å; E178-E182 VanDerWaalsContact O-N 3.09Å; K179-E182 VanDerWaalsContact CD-OE2 3.28Å; K179-E182 WeakPolarHBondContact CD-OE2 3.44Å; K179-E182 IonicContact NZ-OE2 3.42Å; K179-E182 PolarHBondContact NZ-OE2 3.17Å; K179-E182 WeakPolarHBondContact O-CB 3.36Å; K179-E182 PolarHBondContact O-N 2.94Å; E182-R184 VanDerWaalsContact C-N 3.26Å; E182-R184 PolarHBondContact O-N 2.7Å; E182-V185 WeakPolarHBondContact O-CB 3.16Å; E182-V185 PolarHBondContact O-N 3.44Å; E182-V185 VanDerWaalsContact O-N 3.08Å; E182-Q186 WeakPolarHBondContact O-CG 3.49Å; E182-Q186 PolarHBondContact O-N 3.3Å |
| 183 | L | 94.3 | Very high | 92 | Very high | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.4 | -39.8 | -179.7 | -70.9 | 171.7 | 0 | 0 | 0 | 111.4 | L97 W146 I167 K179 A180 V185 Q186 L187 | L97-L183 HydrophobicContact CB-CD1 4.36Å; W146-L183 HydrophobicContact CH2-CD2 3.82Å; W146-L183 HydrophobicContact CZ2-CD2 3.27Å; I167-L183 HydrophobicContact CG2-CB 4.39Å; I167-L183 HydrophobicContact CG2-CD1 4.46Å; K179-L183 HydrophobicContact CG-CD1 4.32Å; K179-L183 WeakPolarHBondContact O-CG 3.47Å; K179-L183 PolarHBondContact O-N 3.31Å; A180-L183 PolarHBondContact O-N 3.01Å; L183-V185 VanDerWaalsContact C-N 3.34Å; L183-V185 PolarHBondContact O-N 3.03Å; L183-Q186 PolarHBondContact O-N 3.07Å; L183-L187 WeakPolarHBondContact O-CB 3.4Å; L183-L187 PolarHBondContact O-N 3.35Å |
| 184 | R | 93.9 | Very high | 91 | Very high | 22 Ų | 22 | 67 Ų | 67 | 8% | 0.083 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 175 | 171.9 | 57 | -173.6 | 110.8 | -9 | 112.5 | I167 A180 S181 E182 R188 F225 C227 | I167-R184 HydrophobicContact CD1-CB 3.75Å; A180-R184 WeakPolarHBondContact O-CB 3.42Å; A180-R184 PolarHBondContact O-N 3.29Å; S181-R184 WeakPolarHBondContact O-CB 3.34Å; S181-R184 PolarHBondContact O-N 2.75Å; E182-R184 VanDerWaalsContact C-N 3.26Å; E182-R184 PolarHBondContact O-N 2.7Å; R184-R188 VanDerWaalsContact NH1-CB 3.28Å; R184-R188 PolarHBondContact O-N 2.82Å; R184-F225 HydrophobicContact CG-CB 3.64Å; R184-F225 HydrophobicContact CG-CD1 3.86Å; R184-F225 HydrophobicContact CG-CD2 4.39Å; R184-F225 HydrophobicContact CG-CG 3.72Å; R184-F225 PolarHBondContact NE-O 3.19Å; R184-F225 PolarHBondContact NH2-O 3.43Å; R184-C227 VanDerWaalsContact CD-SG 3.51Å; R184-C227 PolarHBondContact NE-SG 3.36Å |
| 185 | V | 93.2 | Very high | 90.3 | Very high | 50 Ų | 50 | 67.4 Ų | 67.4 | 30% | 0.303 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 175.9 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | S181 E182 L183 R188 R189 F225 | S181-V185 WeakPolarHBondContact O-CG2 3.41Å; S181-V185 PolarHBondContact O-N 3.17Å; E182-V185 WeakPolarHBondContact O-CB 3.16Å; E182-V185 PolarHBondContact O-N 3.44Å; E182-V185 VanDerWaalsContact O-N 3.08Å; L183-V185 VanDerWaalsContact C-N 3.34Å; L183-V185 PolarHBondContact O-N 3.03Å; V185-R188 WeakPolarHBondContact O-CB 3.23Å; V185-R188 PolarHBondContact O-N 3.33Å; V185-R189 WeakPolarHBondContact O-CG 3.33Å; V185-R189 PolarHBondContact O-N 2.96Å; V185-R189 VanDerWaalsContact O-N 3.12Å; V185-F225 HydrophobicContact CG2-CE1 3.79Å; V185-F225 HydrophobicContact CG2-CZ 4.43Å |
| 186 | Q | 91.3 | Very high | 89.9 | Confident | 75 Ų | 75 | 66.5 Ų | 66.5 | 35% | 0.35 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 176.8 | -68.3 | 176 | 0.9 | 0 | 0 | 111.6 | M159 E182 L183 R188 R189 A190 | M159-Q186 HydrophobicContact CE-CB 3.68Å; M159-Q186 HydrophobicContact SD-CB 4.33Å; E182-Q186 WeakPolarHBondContact O-CG 3.49Å; E182-Q186 PolarHBondContact O-N 3.3Å; L183-Q186 PolarHBondContact O-N 3.07Å; Q186-R188 VanDerWaalsContact C-N 3.31Å; Q186-R188 PolarHBondContact O-N 2.95Å; Q186-R189 WeakPolarHBondContact O-CB 3.44Å; Q186-R189 PolarHBondContact O-N 2.73Å; Q186-R189 VanDerWaalsContact O-N 3.07Å; Q186-A190 PolarHBondContact O-N 3.12Å |
| 187 | L | 90.8 | Very high | 89.8 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 177.3 | -176.7 | 62.8 | 0 | 0 | 0 | 111.6 | L97 M159 Y165 L183 R189 A190 R191 I198 | L97-L187 HydrophobicContact CD1-CD2 4.42Å; M159-L187 HydrophobicContact CB-CD1 4.01Å; M159-L187 HydrophobicContact CG-CD1 4.05Å; Y165-L187 HydrophobicContact CD1-CD1 4.08Å; Y165-L187 HydrophobicContact CD1-CD2 3.97Å; Y165-L187 HydrophobicContact CD2-CD1 4Å; Y165-L187 HydrophobicContact CD2-CD2 3.66Å; Y165-L187 HydrophobicContact CD2-CG 4.37Å; Y165-L187 HydrophobicContact CE1-CD1 3.9Å; Y165-L187 HydrophobicContact CE2-CD1 3.83Å; Y165-L187 HydrophobicContact CE2-CD2 4.35Å; Y165-L187 HydrophobicContact CG-CD1 4.14Å; Y165-L187 HydrophobicContact CG-CD2 3.45Å; Y165-L187 VanDerWaalsContact CG-CD2 3.45Å; Y165-L187 HydrophobicContact CG-CG 4.44Å; L183-L187 WeakPolarHBondContact O-CB 3.4Å; L183-L187 PolarHBondContact O-N 3.35Å; L187-R189 VanDerWaalsContact C-N 3.28Å; L187-R189 PolarHBondContact O-N 3.35Å; L187-A190 PolarHBondContact O-N 2.73Å; L187-R191 HydrophobicContact CD1-CG 4.09Å; L187-R191 PolarHBondContact O-N 3.39Å; L187-I198 HydrophobicContact CD2-CD1 3.65Å; L187-I198 HydrophobicContact CD2-CG1 3.89Å; L187-I198 HydrophobicContact CG-CD1 4.34Å |
| 188 | R | 89.1 | Confident | 89.7 | Confident | 161 Ų | 161 | 66 Ų | 66 | 61% | 0.608 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -57.9 | -41.5 | 174.3 | -160 | 173.7 | 174.2 | 170.6 | -1.4 | 112.3 | R184 V185 Q186 R191 Q192 | R184-R188 VanDerWaalsContact NH1-CB 3.28Å; R184-R188 PolarHBondContact O-N 2.82Å; V185-R188 WeakPolarHBondContact O-CB 3.23Å; V185-R188 PolarHBondContact O-N 3.33Å; Q186-R188 VanDerWaalsContact C-N 3.31Å; Q186-R188 PolarHBondContact O-N 2.95Å; R188-R191 CarbonylContact O-C 3.58Å; R188-Q192 WeakPolarHBondContact O-CG 3.34Å; R188-Q192 PolarHBondContact O-N 3.41Å |
| 189 | R | 87.8 | Confident | 89.7 | Confident | 175 Ų | 175 | 61.1 Ų | 61.1 | 66% | 0.66 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -70 | -36.1 | -179.7 | -69.9 | 173.7 | -177.1 | -179.2 | 2.5 | 111.7 | V185 Q186 L187 Q192 | V185-R189 WeakPolarHBondContact O-CG 3.33Å; V185-R189 PolarHBondContact O-N 2.96Å; V185-R189 VanDerWaalsContact O-N 3.12Å; Q186-R189 WeakPolarHBondContact O-CB 3.44Å; Q186-R189 PolarHBondContact O-N 2.73Å; Q186-R189 VanDerWaalsContact O-N 3.07Å; L187-R189 VanDerWaalsContact C-N 3.28Å; L187-R189 PolarHBondContact O-N 3.35Å; R189-Q192 WeakPolarHBondContact O-CG 3.49Å; R189-Q192 PolarHBondContact O-NE2 3.06Å |
| 190 | A | 85.3 | Confident | 89.8 | Confident | 55 Ų | 55 | 58.7 Ų | 58.7 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -73.3 | -31.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M159 Q186 L187 | M159-A190 HydrophobicContact CB-CB 3.84Å; M159-A190 HydrophobicContact CG-CB 4.49Å; M159-A190 HydrophobicContact SD-CB 4Å; Q186-A190 PolarHBondContact O-N 3.12Å; L187-A190 PolarHBondContact O-N 2.73Å |
| 191 | R | 83.3 | Confident | 89.8 | Confident | 41 Ų | 41 | 58.6 Ų | 58.6 | 16% | 0.155 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 49.3 | -172.9 | -58.3 | -61.4 | -72.8 | -76 | 2 | 113.2 | M159 A160 G162 Y165 L187 R188 T193 D194 | M159-R191 WeakPolarHBondContact O-CD 3.4Å; M159-R191 WeakPolarHBondContact O-CG 3.5Å; M159-R191 PolarHBondContact O-NH1 3.27Å; M159-R191 VanDerWaalsContact O-NH1 3.08Å; A160-R191 PolarHBondContact O-NH1 3.21Å; G162-R191 PolarHBondContact O-NH1 2.74Å; Y165-R191 PolarHBondContact OH-NH1 3.17Å; Y165-R191 VanDerWaalsContact OH-NH1 3.08Å; L187-R191 HydrophobicContact CD1-CG 4.09Å; L187-R191 PolarHBondContact O-N 3.39Å; R188-R191 CarbonylContact O-C 3.58Å; R191-T193 VanDerWaalsContact C-N 3.25Å; R191-T193 PolarHBondContact O-N 2.82Å; R191-D194 HydrophobicContact CB-CB 4.4Å; R191-D194 IonicContact CZ-OD2 2.79Å; R191-D194 IonicContact NE-OD2 2.93Å; R191-D194 PolarHBondContact NE-OD2 2.97Å; R191-D194 IonicContact NH2-OD2 2.71Å; R191-D194 PolarHBondContact NH2-OD2 2.79Å; R191-D194 PolarHBondContact O-N 2.85Å |
| 192 | Q | 74 | Confident | 90 | Very high | 160 Ų | 160 | 57.4 Ų | 57.4 | 75% | 0.748 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -28.4 | -172.9 | -70.6 | 174.1 | 42.6 | 0 | 0 | 114.5 | R188 R189 | R188-Q192 WeakPolarHBondContact O-CG 3.34Å; R188-Q192 PolarHBondContact O-N 3.41Å; R189-Q192 WeakPolarHBondContact O-CG 3.49Å; R189-Q192 PolarHBondContact O-NE2 3.06Å |
| 193 | T | 71.6 | Confident | 90.1 | Very high | 130 Ų | 130 | 52.9 Ų | 52.9 | 80% | 0.798 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -6.6 | -175.8 | 52.8 | 0 | 0 | 0 | 0 | 114 | R191 | R191-T193 VanDerWaalsContact C-N 3.25Å; R191-T193 PolarHBondContact O-N 2.82Å |
| 194 | D | 77.9 | Confident | 90.3 | Very high | 71 Ų | 71 | 55.7 Ų | 55.7 | 38% | 0.38 | 27% | 0.272 | S | S | . | . | trans | -110.8 | 123.4 | -166.7 | -58.8 | -9 | 0 | 0 | 0 | 109.9 | R191 V196 | R191-D194 HydrophobicContact CB-CB 4.4Å; R191-D194 IonicContact CZ-OD2 2.79Å; R191-D194 IonicContact NE-OD2 2.93Å; R191-D194 PolarHBondContact NE-OD2 2.97Å; R191-D194 IonicContact NH2-OD2 2.71Å; R191-D194 PolarHBondContact NH2-OD2 2.79Å; R191-D194 PolarHBondContact O-N 2.85Å; D194-V196 VanDerWaalsContact C-N 3.27Å; D194-V196 HydrophobicContact CB-CG2 3.58Å; D194-V196 PolarHBondContact O-N 2.91Å | ||
| 195 | D | 84.1 | Confident | 90.5 | Very high | 111 Ų | 111 | 55.5 Ų | 55.5 | 59% | 0.594 | 27% | 0.274 | S | S | * | . | trans | -80.9 | 81.9 | 168.2 | -174.9 | 13.7 | 0 | 0 | 0 | 108.1 | R254 | D195-R254 WeakPolarHBondContact O-CD 3.3Å; D195-R254 IonicContact OD1-CZ 3.39Å; D195-R254 IonicContact OD1-NE 3.34Å; D195-R254 PolarHBondContact OD1-NE 3.21Å; D195-R254 IonicContact OD1-NH2 3.26Å; D195-R254 IonicContact OD2-NE 2.75Å | ||
| 196 | V | 90.7 | Very high | 90.8 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 13% | 0.127 | 27% | 0.273 | C | S | . | . | trans | -100.5 | 131.7 | 177.9 | -169.4 | 0 | 0 | 0 | 0 | 109.2 | D163 Y165 D194 I198 | D163-V196 WeakPolarHBondContact O-CG1 3.34Å; Y165-V196 HydrophobicContact CD2-CG1 3.7Å; Y165-V196 HydrophobicContact CE2-CG1 3.82Å; D194-V196 VanDerWaalsContact C-N 3.27Å; D194-V196 HydrophobicContact CB-CG2 3.58Å; D194-V196 PolarHBondContact O-N 2.91Å; V196-I198 PolarHBondContact O-N 2.71Å | ||
| 197 | P | 94.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.019 | 28% | 0.275 | C | S | . | . | trans | -62.6 | 130.3 | 175.2 | 25.8 | -32.8 | 0 | 0 | 0 | 112.1 | D163 A164 Y165 I199 Q250 I251 R254 | D163-P197 WeakPolarHBondContact O-CD 3.4Å; D163-P197 VanDerWaalsContact O-CG 3.3Å; D163-P197 WeakPolarHBondContact O-CG 3.39Å; A164-P197 WeakPolarHBondContact CA-O 3.27Å; A164-P197 HydrophobicContact CB-CG 3.73Å; Y165-P197 PolarHBondContact N-O 2.99Å; P197-I199 HydrophobicContact CB-CD1 4.43Å; P197-Q250 HydrophobicContact CB-CB 3.61Å; P197-Q250 HydrophobicContact CG-CB 4.44Å; P197-I251 HydrophobicContact CG-CB 4.48Å; P197-I251 HydrophobicContact CG-CG1 3.61Å; P197-R254 VanDerWaalsContact CA-CZ 3.49Å | ||
| 198 | I | 96.6 | Very high | 91.4 | Very high | 13 Ų | 13 | 60.3 Ų | 60.3 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 127.8 | 174.4 | -54.8 | 167.2 | 0 | 0 | 0 | 109 | Y165 I167 L187 V196 C227 K228 | Y165-I198 WeakPolarHBondContact O-CA 3.48Å; I167-I198 HydrophobicContact CD1-CG2 3.77Å; I167-I198 HydrophobicContact CG1-CG2 4.08Å; L187-I198 HydrophobicContact CD2-CD1 3.65Å; L187-I198 HydrophobicContact CD2-CG1 3.89Å; L187-I198 HydrophobicContact CG-CD1 4.34Å; V196-I198 PolarHBondContact O-N 2.71Å; I198-C227 WeakPolarHBondContact O-CA 3.48Å; I198-K228 PolarHBondContact O-N 2.92Å |
| 199 | I | 98.4 | Very high | 91.9 | Very high | 7 Ų | 7 | 64.7 Ų | 64.7 | 4% | 0.036 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121.3 | 177.6 | -54.3 | 73.9 | 0 | 0 | 0 | 108 | Y165 V166 I167 P197 V201 K228 I230 L243 V247 | Y165-I199 PolarHBondContact O-N 3.05Å; V166-I199 CarbonylContact C-O 3.6Å; V166-I199 WeakPolarHBondContact CA-O 3.42Å; I167-I199 PolarHBondContact N-O 3.19Å; P197-I199 HydrophobicContact CB-CD1 4.43Å; I199-V201 HydrophobicContact CG2-CG2 4.01Å; I199-K228 CarbonylContact C-O 3.6Å; I199-K228 WeakPolarHBondContact CA-O 3.38Å; I199-K228 HydrophobicContact CG1-CB 4.28Å; I199-K228 HydrophobicContact CG2-CB 4.39Å; I199-I230 HydrophobicContact CG2-CG2 4.04Å; I199-L243 HydrophobicContact CB-CD1 4.37Å; I199-L243 HydrophobicContact CG2-CD1 3.76Å; I199-V247 HydrophobicContact CD1-CG2 3.71Å; I199-V247 HydrophobicContact CG1-CG2 4.15Å |
| 200 | L | 98.8 | Very high | 92.4 | Very high | 9 Ų | 9 | 59.8 Ų | 59.8 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 128.5 | 170.3 | -176.8 | 67.4 | 0 | 0 | 0 | 109.2 | I167 Y169 F177 A180 C221 A222 C227 K228 F229 I230 | I167-L200 HydrophobicContact CB-CD1 4.35Å; I167-L200 HydrophobicContact CG2-CD1 4.36Å; I167-L200 WeakPolarHBondContact O-CA 3.48Å; Y169-L200 HydrophobicContact CD1-CD1 3.89Å; Y169-L200 HydrophobicContact CD1-CG 4.25Å; Y169-L200 HydrophobicContact CE1-CD1 4.07Å; Y169-L200 HydrophobicContact CE1-CD2 4.25Å; Y169-L200 HydrophobicContact CE1-CG 3.93Å; F177-L200 HydrophobicContact CE2-CD2 4.43Å; A180-L200 HydrophobicContact CB-CD1 4Å; L200-C221 HydrophobicContact CD2-CB 4.33Å; L200-A222 HydrophobicContact CB-CB 4.46Å; L200-A222 HydrophobicContact CD2-CB 4.17Å; L200-C227 HydrophobicContact CB-CB 4.34Å; L200-K228 PolarHBondContact N-O 2.94Å; L200-F229 HydrophobicContact CB-CD2 4.36Å; L200-F229 HydrophobicContact CD2-CD2 4.22Å; L200-F229 HydrophobicContact CG-CD2 4.26Å; L200-F229 WeakPolarHBondContact O-CA 3.13Å; L200-I230 PolarHBondContact O-N 2.94Å |
| 201 | V | 98.9 | Very high | 93 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 116.4 | -174.4 | -179.3 | 0 | 0 | 0 | 0 | 111 | L107 V166 I167 V168 Y169 I199 N203 I230 T232 L243 | L107-V201 HydrophobicContact CD1-CG1 4.38Å; V166-V201 HydrophobicContact CG1-CB 4.33Å; V166-V201 HydrophobicContact CG1-CG2 3.44Å; V166-V201 VanDerWaalsContact CG1-CG2 3.44Å; I167-V201 PolarHBondContact O-N 3.12Å; V168-V201 WeakPolarHBondContact CA-O 3.43Å; V168-V201 HydrophobicContact CG1-CG1 4.44Å; V168-V201 HydrophobicContact CG2-CB 4.33Å; Y169-V201 WeakPolarHBondContact CD1-O 3.33Å; Y169-V201 PolarHBondContact N-O 2.78Å; I199-V201 HydrophobicContact CG2-CG2 4.01Å; V201-N203 PolarHBondContact O-N 3.32Å; V201-I230 WeakPolarHBondContact CA-O 3.19Å; V201-I230 HydrophobicContact CG2-CG2 3.93Å; V201-T232 HydrophobicContact CG1-CG2 3.88Å; V201-T232 VanDerWaalsContact CG1-OG1 3.29Å; V201-T232 WeakPolarHBondContact CG1-OG1 3.43Å; V201-L243 HydrophobicContact CG1-CD2 4.46Å; V201-L243 HydrophobicContact CG2-CD1 3.6Å; V201-L243 HydrophobicContact CG2-CD2 4.05Å; V201-L243 HydrophobicContact CG2-CG 4.48Å |
| 202 | G | 98.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 96.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y169 I230 E231 T232 | Y169-G202 VanDerWaalsContact CE1-CA 3.48Å; Y169-G202 VanDerWaalsContact CZ-CA 3.44Å; G202-I230 PolarHBondContact N-O 3.46Å; G202-E231 CarbonylContact O-C 3.59Å; G202-E231 VanDerWaalsContact O-CA 3.23Å; G202-E231 WeakPolarHBondContact O-CA 3.39Å; G202-T232 PolarHBondContact O-N 2.85Å |
| 203 | N | 98.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 165.4 | -179.9 | -169.3 | 29.4 | 0 | 0 | 0 | 111.7 | V102 V168 Y169 V171 V201 S205 T232 A234 | V102-N203 PolarHBondContact O-ND2 2.96Å; V168-N203 HydrophobicContact CG1-CB 3.81Å; Y169-N203 WeakPolarHBondContact O-CB 3.39Å; Y169-N203 PolarHBondContact O-N 3.24Å; V171-N203 PolarHBondContact N-O 3.27Å; V201-N203 PolarHBondContact O-N 3.32Å; N203-S205 VanDerWaalsContact C-N 3.32Å; N203-T232 CarbonylContact C-O 3.6Å; N203-T232 WeakPolarHBondContact CA-O 3.18Å; N203-T232 PolarHBondContact OD1-O 3.01Å; N203-T232 PolarHBondContact OD1-OG1 3.08Å; N203-A234 PolarHBondContact OD1-N 2.84Å |
| 204 | K | 98.6 | Very high | 96.2 | Very high | 60 Ų | 60 | 52.1 Ų | 52.1 | 26% | 0.261 | 26% | 0.262 | S | S | . | . | trans | 65.5 | 32.2 | -176.8 | -41.5 | -168.9 | -160.3 | 173.1 | 0 | 113.3 | G101 S170 V171 D206 L207 T232 | G101-K204 WeakPolarHBondContact O-CE 3.13Å; G101-K204 PolarHBondContact O-NZ 3.42Å; S170-K204 VanDerWaalsContact OG-CD 3.25Å; S170-K204 WeakPolarHBondContact OG-CD 3.43Å; S170-K204 WeakPolarHBondContact OG-CE 3.4Å; V171-K204 VanDerWaalsContact CG2-O 3.22Å; V171-K204 WeakPolarHBondContact CG2-O 3.17Å; K204-D206 VanDerWaalsContact C-OD1 3.28Å; K204-D206 VanDerWaalsContact CA-OD1 3.31Å; K204-D206 WeakPolarHBondContact CA-OD1 3.49Å; K204-D206 PolarHBondContact O-N 3.39Å; K204-D206 VanDerWaalsContact O-N 3.08Å; K204-L207 HydrophobicContact CB-CD1 4.05Å; K204-L207 HydrophobicContact CB-CG 4.32Å; K204-L207 HydrophobicContact CD-CD1 4.19Å; K204-L207 PolarHBondContact O-N 2.83Å; K204-T232 PolarHBondContact N-O 3.5Å; K204-T232 VanDerWaalsContact N-O 3.14Å | ||
| 205 | S | 98.6 | Very high | 97.2 | Very high | 17 Ų | 17 | 51.3 Ų | 51.3 | 12% | 0.119 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -18.8 | 178.2 | 54.1 | 0 | 0 | 0 | 0 | 114.2 | N203 L207 T232 | N203-S205 VanDerWaalsContact C-N 3.32Å; S205-L207 VanDerWaalsContact C-N 3.29Å; S205-L207 PolarHBondContact O-N 2.89Å; S205-T232 WeakPolarHBondContact CB-O 3.49Å; S205-T232 PolarHBondContact N-O 2.98Å; S205-T232 PolarHBondContact OG-O 3.12Å |
| 206 | D | 98.5 | Very high | 97.8 | Very high | 53 Ų | 53 | 51.7 Ų | 51.7 | 28% | 0.283 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -25.3 | 172.9 | 56.3 | -73.9 | 0 | 0 | 0 | 113.9 | K204 V208 S233 L236 | K204-D206 VanDerWaalsContact C-OD1 3.28Å; K204-D206 VanDerWaalsContact CA-OD1 3.31Å; K204-D206 WeakPolarHBondContact CA-OD1 3.49Å; K204-D206 PolarHBondContact O-N 3.39Å; K204-D206 VanDerWaalsContact O-N 3.08Å; D206-V208 PolarHBondContact O-N 3.23Å; D206-S233 WeakPolarHBondContact OD1-CB 3.46Å; D206-S233 PolarHBondContact OD1-OG 2.82Å; D206-L236 HydrophobicContact CB-CD1 3.49Å; D206-L236 VanDerWaalsContact CB-CD1 3.49Å; D206-L236 HydrophobicContact CB-CG 3.9Å |
| 207 | L | 98 | Very high | 98.2 | Very high | 73 Ų | 73 | 54.9 Ų | 54.9 | 38% | 0.382 | 28% | 0.275 | S | S | . | . | trans | -84.3 | 55.6 | -177.6 | -60.5 | -177.5 | 0 | 0 | 0 | 112.3 | T172 K204 S205 R209 S210 R211 | T172-L207 HydrophobicContact CG2-CB 3.48Å; T172-L207 VanDerWaalsContact CG2-CB 3.48Å; T172-L207 HydrophobicContact CG2-CD1 3.81Å; T172-L207 HydrophobicContact CG2-CG 4.27Å; K204-L207 HydrophobicContact CB-CD1 4.05Å; K204-L207 HydrophobicContact CB-CG 4.32Å; K204-L207 HydrophobicContact CD-CD1 4.19Å; K204-L207 PolarHBondContact O-N 2.83Å; S205-L207 VanDerWaalsContact C-N 3.29Å; S205-L207 PolarHBondContact O-N 2.89Å; L207-R209 VanDerWaalsContact C-N 3.29Å; L207-R209 PolarHBondContact O-N 2.69Å; L207-S210 PolarHBondContact O-N 2.86Å; L207-R211 PolarHBondContact O-N 3.35Å | ||
| 208 | V | 97.6 | Very high | 98.4 | Very high | 103 Ų | 103 | 54.7 Ų | 54.7 | 62% | 0.624 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -55.4 | -39.3 | -172.1 | -178.7 | 0 | 0 | 0 | 0 | 113.3 | D206 S210 R211 | D206-V208 PolarHBondContact O-N 3.23Å; V208-S210 VanDerWaalsContact C-N 3.29Å; V208-S210 PolarHBondContact O-N 3.12Å; V208-R211 WeakPolarHBondContact O-CB 3.39Å; V208-R211 PolarHBondContact O-N 2.95Å |
| 209 | R | 98 | Very high | 98.4 | Very high | 254 Ų | 254 | 60.6 Ų | 60.6 | 96% | 0.958 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -72.3 | -22.2 | -178.2 | -67.5 | -176.2 | -178.6 | 158.3 | 1 | 113.9 | L207 | L207-R209 VanDerWaalsContact C-N 3.29Å; L207-R209 PolarHBondContact O-N 2.69Å |
| 210 | S | 98 | Very high | 98.4 | Very high | 71 Ų | 71 | 62.9 Ų | 62.9 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -105 | 13.5 | -179.8 | -52.3 | 0 | 0 | 0 | 0 | 111.7 | T172 L207 V208 E212 | T172-S210 VanDerWaalsContact CA-O 3.25Å; T172-S210 WeakPolarHBondContact CA-O 3.33Å; T172-S210 VanDerWaalsContact CB-O 3.26Å; T172-S210 WeakPolarHBondContact CB-O 3.47Å; T172-S210 WeakPolarHBondContact CG2-O 3.39Å; L207-S210 PolarHBondContact O-N 2.86Å; V208-S210 VanDerWaalsContact C-N 3.29Å; V208-S210 PolarHBondContact O-N 3.12Å; S210-E212 PolarHBondContact O-N 3.39Å |
| 211 | R | 98.6 | Very high | 98.4 | Very high | 70 Ų | 70 | 63.2 Ų | 63.2 | 26% | 0.264 | 32% | 0.318 | S | S | . | . | trans | -69 | 125.3 | -177.3 | -179.9 | 178.9 | -80.8 | -108 | 9.9 | 110.2 | V171 L207 V208 V213 E231 | V171-R211 HydrophobicContact CB-CG 4.45Å; L207-R211 PolarHBondContact O-N 3.35Å; V208-R211 WeakPolarHBondContact O-CB 3.39Å; V208-R211 PolarHBondContact O-N 2.95Å; R211-V213 WeakPolarHBondContact CD-O 3.36Å; R211-V213 WeakPolarHBondContact CG-O 3.44Å; R211-V213 PolarHBondContact NH1-O 3.2Å; R211-E231 IonicContact CZ-OE1 3.74Å; R211-E231 IonicContact CZ-OE2 3.64Å; R211-E231 IonicContact NH1-OE1 3.47Å; R211-E231 PolarHBondContact NH1-OE1 3.37Å; R211-E231 IonicContact NH1-OE2 3.22Å; R211-E231 IonicContact NH2-OE1 2.78Å; R211-E231 PolarHBondContact NH2-OE1 2.99Å; R211-E231 IonicContact NH2-OE2 3.68Å; R211-E231 PolarHBondContact NH2-OE2 3.38Å | ||
| 212 | E | 98.6 | Very high | 98.3 | Very high | 113 Ų | 113 | 63.3 Ų | 63.3 | 53% | 0.528 | 32% | 0.319 | S | S | . | . | trans | -107.7 | -21.8 | 175.1 | -61.7 | -173.3 | 176.6 | 0 | 0 | 112.3 | V171 D173 K174 S210 | V171-E212 PolarHBondContact O-N 2.81Å; D173-E212 WeakPolarHBondContact CA-OE2 3.38Å; K174-E212 HydrophobicContact CB-CB 4.3Å; K174-E212 PolarHBondContact N-OE2 3.04Å; S210-E212 PolarHBondContact O-N 3.39Å | ||
| 213 | V | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -119.7 | 119.9 | 179.3 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | Y169 V171 K174 F177 R211 E217 | Y169-V213 HydrophobicContact CE2-CB 4.08Å; Y169-V213 HydrophobicContact CE2-CG1 3.87Å; Y169-V213 HydrophobicContact CE2-CG2 4.42Å; V171-V213 PolarHBondContact O-N 3.48Å; K174-V213 HydrophobicContact CB-CG2 4.38Å; F177-V213 HydrophobicContact CB-CG2 3.84Å; F177-V213 HydrophobicContact CD1-CG1 4.14Å; F177-V213 HydrophobicContact CD1-CG2 4.25Å; F177-V213 HydrophobicContact CD2-CG1 4.09Å; F177-V213 HydrophobicContact CE1-CG1 4.24Å; F177-V213 HydrophobicContact CE2-CG1 4.2Å; F177-V213 HydrophobicContact CG-CG1 4.03Å; F177-V213 HydrophobicContact CG-CG2 4.06Å; F177-V213 HydrophobicContact CZ-CG1 4.25Å; R211-V213 WeakPolarHBondContact CD-O 3.36Å; R211-V213 WeakPolarHBondContact CG-O 3.44Å; R211-V213 PolarHBondContact NH1-O 3.2Å; V213-E217 HydrophobicContact CG1-CB 4.08Å |
| 214 | S | 98.6 | Very high | 98.1 | Very high | 42 Ų | 42 | 74 Ų | 74 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | trans | -72.2 | 158.5 | 177.3 | 66.6 | 0 | 0 | 0 | 0 | 112.2 | D216 E217 G218 | S214-D216 PolarHBondContact O-N 3.12Å; S214-E217 WeakPolarHBondContact CB-OE2 3.22Å; S214-E217 PolarHBondContact N-OE2 3.18Å; S214-E217 PolarHBondContact O-N 3.19Å; S214-E217 WeakPolarHBondContact OG-CB 3.15Å; S214-E217 WeakPolarHBondContact OG-CG 3.33Å; S214-E217 PolarHBondContact OG-N 3.11Å; S214-E217 PolarHBondContact OG-OE2 3.29Å; S214-G218 PolarHBondContact O-N 3.03Å | ||
| 215 | V | 98.4 | Very high | 97.9 | Very high | 53 Ų | 53 | 73.4 Ų | 73.4 | 32% | 0.321 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.5 | -38.1 | 175.1 | -171.1 | 0 | 0 | 0 | 0 | 110.6 | G218 R219 F229 E231 | V215-G218 PolarHBondContact O-N 3.41Å; V215-R219 WeakPolarHBondContact O-CB 3.45Å; V215-R219 PolarHBondContact O-N 3.37Å; V215-F229 HydrophobicContact CG1-CE1 4.01Å; V215-E231 WeakPolarHBondContact CG2-OE1 3.17Å |
| 216 | D | 98.6 | Very high | 97.6 | Very high | 120 Ų | 120 | 78.2 Ų | 78.2 | 64% | 0.642 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -70.3 | -38.5 | -178.2 | -67.4 | -36.1 | 0 | 0 | 0 | 112.2 | S214 R219 A220 | S214-D216 PolarHBondContact O-N 3.12Å; D216-R219 PolarHBondContact O-N 3.4Å; D216-A220 VanDerWaalsContact O-CB 3.23Å; D216-A220 WeakPolarHBondContact O-CB 3.31Å; D216-A220 PolarHBondContact O-N 3.09Å |
| 217 | E | 98.1 | Very high | 97.5 | Very high | 87 Ų | 87 | 76.5 Ų | 76.5 | 41% | 0.407 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 172.2 | -76.2 | 167 | 122.7 | 0 | 0 | 111.6 | V213 S214 R219 A220 C221 | V213-E217 HydrophobicContact CG1-CB 4.08Å; S214-E217 WeakPolarHBondContact CB-OE2 3.22Å; S214-E217 PolarHBondContact N-OE2 3.18Å; S214-E217 PolarHBondContact O-N 3.19Å; S214-E217 WeakPolarHBondContact OG-CB 3.15Å; S214-E217 WeakPolarHBondContact OG-CG 3.33Å; S214-E217 PolarHBondContact OG-N 3.11Å; S214-E217 PolarHBondContact OG-OE2 3.29Å; E217-R219 PolarHBondContact O-N 3.35Å; E217-A220 PolarHBondContact O-N 3.08Å; E217-C221 VanDerWaalsContact O-CB 3.22Å; E217-C221 WeakPolarHBondContact O-CB 3.49Å; E217-C221 PolarHBondContact O-N 3.39Å |
| 218 | G | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | S214 V215 C221 A222 | S214-G218 PolarHBondContact O-N 3.03Å; V215-G218 PolarHBondContact O-N 3.41Å; G218-C221 PolarHBondContact O-N 2.95Å; G218-A222 PolarHBondContact O-N 2.91Å |
| 219 | R | 98.5 | Very high | 97.5 | Very high | 136 Ų | 136 | 75 Ų | 75 | 51% | 0.513 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 177.5 | -171.8 | -177.2 | -58.9 | -78.8 | -2.8 | 112.2 | V215 D216 E217 C221 A222 V223 F229 | V215-R219 WeakPolarHBondContact O-CB 3.45Å; V215-R219 PolarHBondContact O-N 3.37Å; D216-R219 PolarHBondContact O-N 3.4Å; E217-R219 PolarHBondContact O-N 3.35Å; R219-C221 VanDerWaalsContact C-N 3.34Å; R219-A222 PolarHBondContact O-N 3.4Å; R219-V223 WeakPolarHBondContact O-CG2 3.49Å; R219-V223 PolarHBondContact O-N 2.99Å; R219-F229 HydrophobicContact CB-CD1 4.05Å; R219-F229 HydrophobicContact CB-CE1 4.31Å |
| 220 | A | 98.4 | Very high | 97.6 | Very high | 55 Ų | 55 | 64.5 Ų | 64.5 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D216 E217 A222 V223 V224 | D216-A220 VanDerWaalsContact O-CB 3.23Å; D216-A220 WeakPolarHBondContact O-CB 3.31Å; D216-A220 PolarHBondContact O-N 3.09Å; E217-A220 PolarHBondContact O-N 3.08Å; A220-A222 PolarHBondContact O-N 3.19Å; A220-V223 PolarHBondContact O-N 3.46Å; A220-V224 WeakPolarHBondContact O-CG2 3.49Å; A220-V224 PolarHBondContact O-N 3.34Å |
| 221 | C | 97.6 | Very high | 97.6 | Very high | 16 Ų | 16 | 62.4 Ų | 62.4 | 11% | 0.108 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 174.7 | 178.2 | 0 | 0 | 0 | 0 | 111.8 | F177 L200 E217 G218 R219 V223 V224 F225 | F177-C221 HydrophobicContact CE2-CB 3.97Å; F177-C221 HydrophobicContact CZ-CB 3.55Å; L200-C221 HydrophobicContact CD2-CB 4.33Å; E217-C221 VanDerWaalsContact O-CB 3.22Å; E217-C221 WeakPolarHBondContact O-CB 3.49Å; E217-C221 PolarHBondContact O-N 3.39Å; G218-C221 PolarHBondContact O-N 2.95Å; R219-C221 VanDerWaalsContact C-N 3.34Å; C221-V223 VanDerWaalsContact C-N 3.31Å; C221-V223 PolarHBondContact O-N 2.84Å; C221-V224 PolarHBondContact O-N 3.23Å; C221-F225 VanDerWaalsContact O-CD2 3.25Å; C221-F225 WeakPolarHBondContact O-CD2 3.29Å; C221-F225 PolarHBondContact O-N 3.41Å; C221-F225 WeakPolarHBondContact SG-CD2 3.48Å; C221-F225 VanDerWaalsContact SG-CE2 3.53Å |
| 222 | A | 97.5 | Very high | 97.6 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.7 | -36.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | L200 G218 R219 A220 F225 D226 C227 F229 | L200-A222 HydrophobicContact CB-CB 4.46Å; L200-A222 HydrophobicContact CD2-CB 4.17Å; G218-A222 PolarHBondContact O-N 2.91Å; R219-A222 PolarHBondContact O-N 3.4Å; A220-A222 PolarHBondContact O-N 3.19Å; A222-F225 CarbonylContact O-C 3.49Å; A222-F225 PolarHBondContact O-N 3.3Å; A222-D226 PolarHBondContact O-N 2.92Å; A222-C227 HydrophobicContact CB-CB 4.23Å; A222-C227 PolarHBondContact O-N 3.06Å; A222-F229 HydrophobicContact CB-CB 3.63Å; A222-F229 HydrophobicContact CB-CG 4.35Å |
| 223 | V | 97.3 | Very high | 97.6 | Very high | 115 Ų | 115 | 53.7 Ų | 53.7 | 70% | 0.697 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.2 | -47.9 | 173.5 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | R219 A220 C221 F225 D226 | R219-V223 WeakPolarHBondContact O-CG2 3.49Å; R219-V223 PolarHBondContact O-N 2.99Å; A220-V223 PolarHBondContact O-N 3.46Å; C221-V223 VanDerWaalsContact C-N 3.31Å; C221-V223 PolarHBondContact O-N 2.84Å; V223-F225 PolarHBondContact O-N 2.98Å; V223-D226 PolarHBondContact O-N 3.29Å |
| 224 | V | 95.9 | Very high | 97.5 | Very high | 111 Ų | 111 | 54.1 Ų | 54.1 | 67% | 0.673 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.8 | -37.8 | 179.3 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | A220 C221 | A220-V224 WeakPolarHBondContact O-CG2 3.49Å; A220-V224 PolarHBondContact O-N 3.34Å; C221-V224 PolarHBondContact O-N 3.23Å |
| 225 | F | 93.1 | Very high | 97.4 | Very high | 48 Ų | 48 | 55.8 Ų | 55.8 | 21% | 0.211 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 7.5 | -178.6 | -68.6 | -59.9 | 0 | 0 | 0 | 114.9 | R184 V185 C221 A222 V223 C227 | R184-F225 HydrophobicContact CG-CB 3.64Å; R184-F225 HydrophobicContact CG-CD1 3.86Å; R184-F225 HydrophobicContact CG-CD2 4.39Å; R184-F225 HydrophobicContact CG-CG 3.72Å; R184-F225 PolarHBondContact NE-O 3.19Å; R184-F225 PolarHBondContact NH2-O 3.43Å; V185-F225 HydrophobicContact CG2-CE1 3.79Å; V185-F225 HydrophobicContact CG2-CZ 4.43Å; C221-F225 VanDerWaalsContact O-CD2 3.25Å; C221-F225 WeakPolarHBondContact O-CD2 3.29Å; C221-F225 PolarHBondContact O-N 3.41Å; C221-F225 WeakPolarHBondContact SG-CD2 3.48Å; C221-F225 VanDerWaalsContact SG-CE2 3.53Å; A222-F225 CarbonylContact O-C 3.49Å; A222-F225 PolarHBondContact O-N 3.3Å; V223-F225 PolarHBondContact O-N 2.98Å; F225-C227 PolarHBondContact O-N 3.05Å; F225-C227 PolarHBondContact O-SG 3.04Å |
| 226 | D | 93.3 | Very high | 97.3 | Very high | 118 Ų | 118 | 59 Ų | 59 | 63% | 0.631 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 53.4 | -177.4 | -170.4 | 33.6 | 0 | 0 | 0 | 112.6 | A222 V223 | A222-D226 PolarHBondContact O-N 2.92Å; V223-D226 PolarHBondContact O-N 3.29Å |
| 227 | C | 95.7 | Very high | 97.2 | Very high | 18 Ų | 18 | 59.3 Ų | 59.3 | 12% | 0.122 | 32% | 0.319 | C | S | . | . | trans | -116.9 | 158.1 | 176.3 | -62 | 0 | 0 | 0 | 0 | 110.4 | R184 I198 L200 A222 F225 | R184-C227 VanDerWaalsContact CD-SG 3.51Å; R184-C227 PolarHBondContact NE-SG 3.36Å; I198-C227 WeakPolarHBondContact O-CA 3.48Å; L200-C227 HydrophobicContact CB-CB 4.34Å; A222-C227 HydrophobicContact CB-CB 4.23Å; A222-C227 PolarHBondContact O-N 3.06Å; F225-C227 PolarHBondContact O-N 3.05Å; F225-C227 PolarHBondContact O-SG 3.04Å | ||
| 228 | K | 97.9 | Very high | 97.2 | Very high | 107 Ų | 107 | 59.7 Ų | 59.7 | 47% | 0.465 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 154.8 | 160.4 | -58.4 | -50.9 | -176.4 | -170.6 | 0 | 109.5 | I198 I199 L200 Q250 | I198-K228 PolarHBondContact O-N 2.92Å; I199-K228 CarbonylContact C-O 3.6Å; I199-K228 WeakPolarHBondContact CA-O 3.38Å; I199-K228 HydrophobicContact CG1-CB 4.28Å; I199-K228 HydrophobicContact CG2-CB 4.39Å; L200-K228 PolarHBondContact N-O 2.94Å; K228-Q250 VanDerWaalsContact CE-CD 3.48Å; K228-Q250 HydrophobicContact CG-CG 3.94Å |
| 229 | F | 98.7 | Very high | 97.2 | Very high | 38 Ų | 38 | 62.6 Ų | 62.6 | 17% | 0.167 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.4 | -178.7 | 178.6 | -112.9 | 0 | 0 | 0 | 110.9 | Y169 L200 V215 R219 A222 E231 | Y169-F229 HydrophobicContact CE1-CE2 4.25Å; Y169-F229 WeakPolarHBondContact OH-CE2 3.24Å; L200-F229 HydrophobicContact CB-CD2 4.36Å; L200-F229 HydrophobicContact CD2-CD2 4.22Å; L200-F229 HydrophobicContact CG-CD2 4.26Å; L200-F229 WeakPolarHBondContact O-CA 3.13Å; V215-F229 HydrophobicContact CG1-CE1 4.01Å; R219-F229 HydrophobicContact CB-CD1 4.05Å; R219-F229 HydrophobicContact CB-CE1 4.31Å; A222-F229 HydrophobicContact CB-CB 3.63Å; A222-F229 HydrophobicContact CB-CG 4.35Å; F229-E231 HydrophobicContact CE1-CG 4.03Å; F229-E231 HydrophobicContact CE2-CG 4.44Å; F229-E231 HydrophobicContact CZ-CG 3.58Å |
| 230 | I | 98.8 | Very high | 97.1 | Very high | 33 Ų | 33 | 56.3 Ų | 56.3 | 17% | 0.169 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 142.9 | 171.3 | -171.3 | 168.1 | 0 | 0 | 0 | 109.6 | I199 L200 V201 G202 T232 N239 A242 L243 | I199-I230 HydrophobicContact CG2-CG2 4.04Å; L200-I230 PolarHBondContact O-N 2.94Å; V201-I230 WeakPolarHBondContact CA-O 3.19Å; V201-I230 HydrophobicContact CG2-CG2 3.93Å; G202-I230 PolarHBondContact N-O 3.46Å; I230-T232 HydrophobicContact CG1-CG2 4.43Å; I230-T232 HydrophobicContact CG2-CG2 4.36Å; I230-N239 HydrophobicContact CD1-CB 3.88Å; I230-N239 HydrophobicContact CG1-CB 4.17Å; I230-A242 HydrophobicContact CD1-CB 4Å; I230-L243 HydrophobicContact CD1-CB 4.41Å; I230-L243 HydrophobicContact CG2-CB 4.35Å; I230-L243 HydrophobicContact CG2-CD1 3.84Å |
| 231 | E | 98.8 | Very high | 97 | Very high | 27 Ų | 27 | 60.5 Ų | 60.5 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 137.1 | 166.8 | -69.5 | -162.2 | 162.2 | 0 | 0 | 110.4 | G202 R211 V215 F229 N239 | G202-E231 CarbonylContact O-C 3.59Å; G202-E231 VanDerWaalsContact O-CA 3.23Å; G202-E231 WeakPolarHBondContact O-CA 3.39Å; R211-E231 IonicContact CZ-OE1 3.74Å; R211-E231 IonicContact CZ-OE2 3.64Å; R211-E231 IonicContact NH1-OE1 3.47Å; R211-E231 PolarHBondContact NH1-OE1 3.37Å; R211-E231 IonicContact NH1-OE2 3.22Å; R211-E231 IonicContact NH2-OE1 2.78Å; R211-E231 PolarHBondContact NH2-OE1 2.99Å; R211-E231 IonicContact NH2-OE2 3.68Å; R211-E231 PolarHBondContact NH2-OE2 3.38Å; V215-E231 WeakPolarHBondContact CG2-OE1 3.17Å; F229-E231 HydrophobicContact CE1-CG 4.03Å; F229-E231 HydrophobicContact CE2-CG 4.44Å; F229-E231 HydrophobicContact CZ-CG 3.58Å; E231-N239 VanDerWaalsContact O-CB 3.27Å; E231-N239 WeakPolarHBondContact O-CB 3.39Å; E231-N239 PolarHBondContact O-ND2 2.77Å |
| 232 | T | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -127.2 | 160.7 | -178.6 | 61.1 | 0 | 0 | 0 | 0 | 111 | V201 G202 N203 K204 S205 I230 H238 N239 L243 | V201-T232 HydrophobicContact CG1-CG2 3.88Å; V201-T232 VanDerWaalsContact CG1-OG1 3.29Å; V201-T232 WeakPolarHBondContact CG1-OG1 3.43Å; G202-T232 PolarHBondContact O-N 2.85Å; N203-T232 CarbonylContact C-O 3.6Å; N203-T232 WeakPolarHBondContact CA-O 3.18Å; N203-T232 PolarHBondContact OD1-O 3.01Å; N203-T232 PolarHBondContact OD1-OG1 3.08Å; K204-T232 PolarHBondContact N-O 3.5Å; K204-T232 VanDerWaalsContact N-O 3.14Å; S205-T232 WeakPolarHBondContact CB-O 3.49Å; S205-T232 PolarHBondContact N-O 2.98Å; S205-T232 PolarHBondContact OG-O 3.12Å; I230-T232 HydrophobicContact CG1-CG2 4.43Å; I230-T232 HydrophobicContact CG2-CG2 4.36Å; T232-H238 WeakPolarHBondContact CA-O 3.47Å; T232-N239 HydrophobicContact CG2-CB 3.99Å; T232-L243 HydrophobicContact CG2-CB 4.35Å; T232-L243 HydrophobicContact CG2-CD2 4.34Å | ||
| 233 | S | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -130.6 | 109.5 | 161.3 | 174.2 | 0 | 0 | 0 | 0 | 107.6 | D206 A235 L236 H237 H238 | D206-S233 WeakPolarHBondContact OD1-CB 3.46Å; D206-S233 PolarHBondContact OD1-OG 2.82Å; S233-A235 VanDerWaalsContact C-N 3.27Å; S233-A235 PolarHBondContact OG-N 2.93Å; S233-L236 PolarHBondContact O-N 3.07Å; S233-L236 PolarHBondContact OG-N 2.79Å; S233-H237 CarbonylContact O-C 3.58Å; S233-H237 WeakPolarHBondContact O-CA 3.36Å; S233-H237 PolarHBondContact O-N 3.14Å; S233-H238 PolarHBondContact N-O 3.08Å; S233-H238 PolarHBondContact O-N 3.45Å |
| 234 | A | 97.2 | Very high | 97.1 | Very high | 10 Ų | 10 | 56.2 Ų | 56.2 | 8% | 0.083 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -42.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | A106 L107 I110 N203 L236 H237 | A106-A234 HydrophobicContact CB-CB 3.8Å; L107-A234 HydrophobicContact CD2-CB 4.08Å; L107-A234 HydrophobicContact CG-CB 4.39Å; I110-A234 HydrophobicContact CD1-CB 3.71Å; I110-A234 WeakPolarHBondContact CD1-O 3.29Å; N203-A234 PolarHBondContact OD1-N 2.84Å; A234-L236 VanDerWaalsContact C-N 3.3Å; A234-L236 PolarHBondContact O-N 2.9Å; A234-H237 PolarHBondContact O-N 2.92Å |
| 235 | A | 96.3 | Very high | 97.2 | Very high | 77 Ų | 77 | 52.6 Ų | 52.6 | 64% | 0.636 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -35.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S233 | S233-A235 VanDerWaalsContact C-N 3.27Å; S233-A235 PolarHBondContact OG-N 2.93Å |
| 236 | L | 96.6 | Very high | 97.5 | Very high | 119 Ų | 119 | 51.4 Ų | 51.4 | 62% | 0.623 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 7.8 | 178.9 | -57 | -173.8 | 0 | 0 | 0 | 113.4 | D206 S233 A234 H238 | D206-L236 HydrophobicContact CB-CD1 3.49Å; D206-L236 VanDerWaalsContact CB-CD1 3.49Å; D206-L236 HydrophobicContact CB-CG 3.9Å; S233-L236 PolarHBondContact O-N 3.07Å; S233-L236 PolarHBondContact OG-N 2.79Å; A234-L236 VanDerWaalsContact C-N 3.3Å; A234-L236 PolarHBondContact O-N 2.9Å; L236-H238 HydrophobicContact CB-CB 4.36Å; L236-H238 PolarHBondContact O-N 2.84Å |
| 237 | H | 95.7 | Very high | 97.7 | Very high | 127 Ų | 127 | 45.8 Ų | 45.8 | 59% | 0.588 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 23.5 | -171.2 | -61.8 | -99.3 | 0 | 0 | 0 | 113.9 | I110 S233 A234 | I110-H237 VanDerWaalsContact CG2-ND1 3.29Å; I110-H237 WeakPolarHBondContact CG2-ND1 3.29Å; S233-H237 CarbonylContact O-C 3.58Å; S233-H237 WeakPolarHBondContact O-CA 3.36Å; S233-H237 PolarHBondContact O-N 3.14Å; A234-H237 PolarHBondContact O-N 2.92Å |
| 238 | H | 98.1 | Very high | 97.7 | Very high | 95 Ų | 95 | 45 Ų | 45 | 44% | 0.44 | 24% | 0.242 | S | C | . | . | B | Isolated β-bridge | trans | -80.7 | 128.5 | -175.4 | -178.4 | -109.9 | 0 | 0 | 0 | 110.6 | T232 S233 L236 V240 | T232-H238 WeakPolarHBondContact CA-O 3.47Å; S233-H238 PolarHBondContact N-O 3.08Å; S233-H238 PolarHBondContact O-N 3.45Å; L236-H238 HydrophobicContact CB-CB 4.36Å; L236-H238 PolarHBondContact O-N 2.84Å; H238-V240 PolarHBondContact O-N 3.49Å |
| 239 | N | 98.2 | Very high | 97.7 | Very high | 61 Ų | 61 | 43.7 Ų | 43.7 | 33% | 0.326 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 8.6 | 179 | -73.2 | -18.6 | 0 | 0 | 0 | 116.3 | I230 E231 T232 A242 L243 | I230-N239 HydrophobicContact CD1-CB 3.88Å; I230-N239 HydrophobicContact CG1-CB 4.17Å; E231-N239 VanDerWaalsContact O-CB 3.27Å; E231-N239 WeakPolarHBondContact O-CB 3.39Å; E231-N239 PolarHBondContact O-ND2 2.77Å; T232-N239 HydrophobicContact CG2-CB 3.99Å; N239-A242 PolarHBondContact O-N 3.16Å; N239-L243 WeakPolarHBondContact O-CB 3.39Å; N239-L243 PolarHBondContact O-N 3.19Å |
| 240 | V | 97.4 | Very high | 97.6 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.03 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.7 | -46.6 | 179.3 | -174.8 | 0 | 0 | 0 | 0 | 110.6 | L107 I110 H238 A242 L243 F244 | L107-V240 HydrophobicContact CD2-CG1 4.2Å; L107-V240 HydrophobicContact CD2-CG2 3.83Å; I110-V240 HydrophobicContact CB-CG1 4.25Å; I110-V240 HydrophobicContact CG2-CB 4.21Å; I110-V240 HydrophobicContact CG2-CG1 3.75Å; I110-V240 HydrophobicContact CG2-CG2 4.39Å; H238-V240 PolarHBondContact O-N 3.49Å; V240-A242 PolarHBondContact O-N 3.43Å; V240-L243 WeakPolarHBondContact O-CB 3.28Å; V240-L243 PolarHBondContact O-N 2.56Å; V240-F244 HydrophobicContact CG1-CD2 4.17Å; V240-F244 HydrophobicContact CG1-CE2 3.83Å; V240-F244 WeakPolarHBondContact O-CD2 3.49Å; V240-F244 PolarHBondContact O-N 3.29Å |
| 241 | Q | 96.1 | Very high | 97.4 | Very high | 142 Ų | 142 | 42 Ų | 42 | 66% | 0.664 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -60.2 | -48.1 | 174.7 | 180 | 178 | -12.8 | 0 | 0 | 111.6 | L243 F244 E245 | Q241-L243 PolarHBondContact O-N 3.45Å; Q241-F244 PolarHBondContact O-N 3.08Å; Q241-F244 VanDerWaalsContact O-N 3.12Å; Q241-E245 HydrophobicContact CG-CG 4.24Å; Q241-E245 WeakPolarHBondContact CG-OE1 3.44Å; Q241-E245 PolarHBondContact NE2-OE1 3Å; Q241-E245 WeakPolarHBondContact O-CG 2.83Å; Q241-E245 PolarHBondContact O-N 3.36Å |
| 242 | A | 98.3 | Very high | 97.2 | Very high | 40 Ų | 40 | 42.3 Ų | 42.3 | 33% | 0.331 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.8 | -34.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I230 N239 V240 G246 | I230-A242 HydrophobicContact CD1-CB 4Å; N239-A242 PolarHBondContact O-N 3.16Å; V240-A242 PolarHBondContact O-N 3.43Å; A242-G246 PolarHBondContact O-N 3.05Å |
| 243 | L | 98.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59 | -54.2 | 173.1 | 166.4 | 62.2 | 0 | 0 | 0 | 111.3 | V166 I199 V201 I230 T232 N239 V240 Q241 G246 V247 | V166-L243 HydrophobicContact CG1-CD1 4.15Å; V166-L243 HydrophobicContact CG1-CD2 4.26Å; V166-L243 HydrophobicContact CG2-CD1 4.43Å; I199-L243 HydrophobicContact CB-CD1 4.37Å; I199-L243 HydrophobicContact CG2-CD1 3.76Å; V201-L243 HydrophobicContact CG1-CD2 4.46Å; V201-L243 HydrophobicContact CG2-CD1 3.6Å; V201-L243 HydrophobicContact CG2-CD2 4.05Å; V201-L243 HydrophobicContact CG2-CG 4.48Å; I230-L243 HydrophobicContact CD1-CB 4.41Å; I230-L243 HydrophobicContact CG2-CB 4.35Å; I230-L243 HydrophobicContact CG2-CD1 3.84Å; T232-L243 HydrophobicContact CG2-CB 4.35Å; T232-L243 HydrophobicContact CG2-CD2 4.34Å; N239-L243 WeakPolarHBondContact O-CB 3.39Å; N239-L243 PolarHBondContact O-N 3.19Å; V240-L243 WeakPolarHBondContact O-CB 3.28Å; V240-L243 PolarHBondContact O-N 2.56Å; Q241-L243 PolarHBondContact O-N 3.45Å; L243-G246 WeakPolarHBondContact O-CA 3.45Å; L243-G246 PolarHBondContact O-N 3.05Å; L243-V247 HydrophobicContact CD1-CG2 4.46Å; L243-V247 WeakPolarHBondContact O-CG2 3.47Å; L243-V247 PolarHBondContact O-N 3.05Å |
| 244 | F | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.7 | -34.7 | -175.2 | -69 | -76 | 0 | 0 | 0 | 113 | F111 I131 L140 V142 V240 Q241 G246 V247 V248 | F111-F244 HydrophobicContact CB-CD2 3.88Å; F111-F244 HydrophobicContact CB-CE1 4.28Å; F111-F244 HydrophobicContact CB-CE2 3.44Å; F111-F244 VanDerWaalsContact CB-CE2 3.44Å; F111-F244 HydrophobicContact CB-CG 4.5Å; F111-F244 HydrophobicContact CB-CZ 3.65Å; F111-F244 HydrophobicContact CD1-CE1 4.42Å; F111-F244 HydrophobicContact CD2-CB 3.81Å; F111-F244 AromaticContact CD2-CD1 3.8Å; F111-F244 HydrophobicContact CD2-CD1 3.8Å; F111-F244 AromaticContact CD2-CD2 3.35Å; F111-F244 HydrophobicContact CD2-CD2 3.35Å; F111-F244 HydrophobicContact CD2-CE1 4.21Å; F111-F244 AromaticContact CD2-CE2 3.84Å; F111-F244 HydrophobicContact CD2-CE2 3.84Å; F111-F244 AromaticContact CD2-CG 3.35Å; F111-F244 HydrophobicContact CD2-CG 3.35Å; F111-F244 HydrophobicContact CD2-CZ 4.23Å; F111-F244 HydrophobicContact CE2-CB 3.77Å; F111-F244 HydrophobicContact CE2-CD1 4.08Å; F111-F244 HydrophobicContact CE2-CD2 4.2Å; F111-F244 AromaticContact CE2-CG 3.75Å; F111-F244 HydrophobicContact CE2-CG 3.75Å; F111-F244 HydrophobicContact CG-CD1 4.06Å; F111-F244 AromaticContact CG-CD2 3.83Å; F111-F244 HydrophobicContact CG-CD2 3.83Å; F111-F244 HydrophobicContact CG-CE1 4.01Å; F111-F244 AromaticContact CG-CE2 3.81Å; F111-F244 HydrophobicContact CG-CE2 3.81Å; F111-F244 AromaticContact CG-CG 3.98Å; F111-F244 HydrophobicContact CG-CG 3.98Å; F111-F244 AromaticContact CG-CZ 3.88Å; F111-F244 HydrophobicContact CG-CZ 3.88Å; I131-F244 HydrophobicContact CD1-CB 4.24Å; L140-F244 HydrophobicContact CD1-CB 3.95Å; L140-F244 HydrophobicContact CD1-CD1 3.99Å; L140-F244 HydrophobicContact CD1-CG 4.4Å; V142-F244 HydrophobicContact CG1-CE1 4.29Å; V142-F244 HydrophobicContact CG2-CD1 4.22Å; V142-F244 HydrophobicContact CG2-CE1 3.7Å; V240-F244 HydrophobicContact CG1-CD2 4.17Å; V240-F244 HydrophobicContact CG1-CE2 3.83Å; V240-F244 WeakPolarHBondContact O-CD2 3.49Å; V240-F244 PolarHBondContact O-N 3.29Å; Q241-F244 PolarHBondContact O-N 3.08Å; Q241-F244 VanDerWaalsContact O-N 3.12Å; F244-G246 VanDerWaalsContact C-N 3.3Å; F244-G246 PolarHBondContact O-N 3.47Å; F244-V247 WeakPolarHBondContact O-CB 3.32Å; F244-V247 PolarHBondContact O-N 2.84Å; F244-V248 PolarHBondContact O-N 3.32Å; F244-V248 VanDerWaalsContact O-N 3.12Å |
| 245 | E | 97.8 | Very high | 95.9 | Very high | 36 Ų | 36 | 52 Ų | 52 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 168.4 | -63.4 | -179.1 | -171.7 | 0 | 0 | 111.4 | I131 V133 Q241 V247 V248 R249 | I131-E245 HydrophobicContact CD1-CG 4.44Å; V133-E245 HydrophobicContact CG1-CB 4.31Å; V133-E245 HydrophobicContact CG2-CB 4.18Å; V133-E245 HydrophobicContact CG2-CG 4.09Å; Q241-E245 HydrophobicContact CG-CG 4.24Å; Q241-E245 WeakPolarHBondContact CG-OE1 3.44Å; Q241-E245 PolarHBondContact NE2-OE1 3Å; Q241-E245 WeakPolarHBondContact O-CG 2.83Å; Q241-E245 PolarHBondContact O-N 3.36Å; E245-V247 VanDerWaalsContact C-N 3.3Å; E245-V247 PolarHBondContact O-N 3.18Å; E245-V248 PolarHBondContact O-N 3.23Å; E245-R249 VanDerWaalsContact CB-NH1 3.29Å; E245-R249 WeakPolarHBondContact O-CG 3.25Å; E245-R249 PolarHBondContact O-N 2.89Å; E245-R249 IonicContact OE2-CZ 3.5Å; E245-R249 IonicContact OE2-NH1 3.75Å; E245-R249 PolarHBondContact OE2-NH1 3.4Å; E245-R249 IonicContact OE2-NH2 3.02Å; E245-R249 PolarHBondContact OE2-NH2 3.1Å |
| 246 | G | 97.8 | Very high | 95.4 | Very high | 23 Ų | 23 | 53 Ų | 53 | 24% | 0.237 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.6 | -39.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A242 L243 F244 R249 Q250 | A242-G246 PolarHBondContact O-N 3.05Å; L243-G246 WeakPolarHBondContact O-CA 3.45Å; L243-G246 PolarHBondContact O-N 3.05Å; F244-G246 VanDerWaalsContact C-N 3.3Å; F244-G246 PolarHBondContact O-N 3.47Å; G246-R249 PolarHBondContact O-N 3.28Å; G246-Q250 WeakPolarHBondContact O-CB 3.38Å; G246-Q250 VanDerWaalsContact O-CG 3.24Å; G246-Q250 WeakPolarHBondContact O-CG 3.48Å; G246-Q250 PolarHBondContact O-N 3.49Å |
| 247 | V | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.8 | -52.9 | 173.2 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | V94 A164 V166 I199 L243 F244 E245 R249 Q250 I251 | V94-V247 HydrophobicContact CG1-CG1 4.26Å; V94-V247 HydrophobicContact CG2-CG1 3.77Å; A164-V247 HydrophobicContact CB-CG1 3.58Å; V166-V247 HydrophobicContact CG2-CG2 3.9Å; I199-V247 HydrophobicContact CD1-CG2 3.71Å; I199-V247 HydrophobicContact CG1-CG2 4.15Å; L243-V247 HydrophobicContact CD1-CG2 4.46Å; L243-V247 WeakPolarHBondContact O-CG2 3.47Å; L243-V247 PolarHBondContact O-N 3.05Å; F244-V247 WeakPolarHBondContact O-CB 3.32Å; F244-V247 PolarHBondContact O-N 2.84Å; E245-V247 VanDerWaalsContact C-N 3.3Å; E245-V247 PolarHBondContact O-N 3.18Å; V247-R249 PolarHBondContact O-N 3Å; V247-Q250 PolarHBondContact O-N 3Å; V247-Q250 VanDerWaalsContact O-N 3.1Å; V247-I251 HydrophobicContact CG1-CD1 3.87Å; V247-I251 HydrophobicContact CG1-CG1 4.43Å; V247-I251 WeakPolarHBondContact O-CG1 3.44Å; V247-I251 PolarHBondContact O-N 2.8Å |
| 248 | V | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.3 | -49.1 | 179 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | Y92 I131 V133 A138 L140 F244 E245 Q250 I251 R252 | Y92-V248 HydrophobicContact CE2-CG1 4.39Å; I131-V248 HydrophobicContact CD1-CG2 3.95Å; I131-V248 HydrophobicContact CG1-CG2 4.36Å; V133-V248 HydrophobicContact CB-CB 4.3Å; V133-V248 HydrophobicContact CB-CG1 3.88Å; V133-V248 HydrophobicContact CG1-CB 4.31Å; V133-V248 HydrophobicContact CG1-CG1 4.13Å; V133-V248 HydrophobicContact CG2-CB 3.9Å; V133-V248 HydrophobicContact CG2-CG1 3.91Å; V133-V248 HydrophobicContact CG2-CG2 4.06Å; A138-V248 HydrophobicContact CB-CB 4.48Å; A138-V248 HydrophobicContact CB-CG1 3.69Å; A138-V248 HydrophobicContact CB-CG2 3.87Å; L140-V248 HydrophobicContact CD1-CG2 4.09Å; L140-V248 HydrophobicContact CD2-CG2 3.66Å; L140-V248 HydrophobicContact CG-CG2 4.13Å; F244-V248 PolarHBondContact O-N 3.32Å; F244-V248 VanDerWaalsContact O-N 3.12Å; E245-V248 PolarHBondContact O-N 3.23Å; V248-Q250 VanDerWaalsContact C-N 3.27Å; V248-Q250 PolarHBondContact O-N 2.95Å; V248-I251 PolarHBondContact O-N 2.98Å; V248-I251 VanDerWaalsContact O-N 3.16Å; V248-R252 HydrophobicContact CG1-CG 4.36Å; V248-R252 PolarHBondContact O-N 2.81Å |
| 249 | R | 96.9 | Very high | 93.2 | Very high | 81 Ų | 81 | 53.1 Ų | 53.1 | 31% | 0.306 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -55.8 | -44.2 | 177.6 | -70.3 | -178.9 | -171.5 | 106 | 3.3 | 111.4 | V133 D134 E245 G246 V247 L253 | V133-R249 HydrophobicContact CG1-CG 3.7Å; D134-R249 IonicContact OD1-CZ 3.83Å; D134-R249 IonicContact OD1-NE 3.09Å; D134-R249 PolarHBondContact OD1-NE 2.86Å; D134-R249 VanDerWaalsContact OD1-NE 3.1Å; D134-R249 IonicContact OD1-NH2 3.57Å; D134-R249 PolarHBondContact OD1-NH2 3.28Å; D134-R249 WeakPolarHBondContact OD2-CG 3.26Å; D134-R249 IonicContact OD2-NE 3Å; D134-R249 PolarHBondContact OD2-NE 2.72Å; D134-R249 VanDerWaalsContact OD2-NE 3.09Å; E245-R249 VanDerWaalsContact CB-NH1 3.29Å; E245-R249 WeakPolarHBondContact O-CG 3.25Å; E245-R249 PolarHBondContact O-N 2.89Å; E245-R249 IonicContact OE2-CZ 3.5Å; E245-R249 IonicContact OE2-NH1 3.75Å; E245-R249 PolarHBondContact OE2-NH1 3.4Å; E245-R249 IonicContact OE2-NH2 3.02Å; E245-R249 PolarHBondContact OE2-NH2 3.1Å; G246-R249 PolarHBondContact O-N 3.28Å; V247-R249 PolarHBondContact O-N 3Å; R249-L253 WeakPolarHBondContact O-CB 3.42Å; R249-L253 WeakPolarHBondContact O-CD1 3.38Å; R249-L253 WeakPolarHBondContact O-CG 3.25Å; R249-L253 PolarHBondContact O-N 2.84Å |
| 250 | Q | 96.5 | Very high | 92.2 | Very high | 31 Ų | 31 | 52.4 Ų | 52.4 | 15% | 0.145 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.8 | -31.2 | -179.1 | -71.9 | -58.9 | -64.3 | 0 | 0 | 113.8 | P197 K228 G246 V247 V248 R254 | P197-Q250 HydrophobicContact CB-CB 3.61Å; P197-Q250 HydrophobicContact CG-CB 4.44Å; K228-Q250 VanDerWaalsContact CE-CD 3.48Å; K228-Q250 HydrophobicContact CG-CG 3.94Å; G246-Q250 WeakPolarHBondContact O-CB 3.38Å; G246-Q250 VanDerWaalsContact O-CG 3.24Å; G246-Q250 WeakPolarHBondContact O-CG 3.48Å; G246-Q250 PolarHBondContact O-N 3.49Å; V247-Q250 PolarHBondContact O-N 3Å; V247-Q250 VanDerWaalsContact O-N 3.1Å; V248-Q250 VanDerWaalsContact C-N 3.27Å; V248-Q250 PolarHBondContact O-N 2.95Å; Q250-R254 WeakPolarHBondContact O-CG 3.44Å; Q250-R254 PolarHBondContact O-NH1 3.43Å |
| 251 | I | 94.6 | Very high | 91.2 | Very high | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.5 | -51.5 | 173.1 | -62.7 | 168.1 | 0 | 0 | 0 | 110.1 | Y92 D163 A164 P197 V247 V248 L253 R254 R255 | Y92-I251 HydrophobicContact CD1-CB 4.36Å; Y92-I251 HydrophobicContact CD1-CD1 3.85Å; Y92-I251 HydrophobicContact CD1-CG2 3.55Å; Y92-I251 HydrophobicContact CD2-CD1 4.34Å; Y92-I251 HydrophobicContact CE1-CB 4.25Å; Y92-I251 HydrophobicContact CE1-CG2 3.32Å; Y92-I251 HydrophobicContact CG-CD1 3.72Å; Y92-I251 HydrophobicContact CG-CG2 4.39Å; D163-I251 HydrophobicContact CB-CD1 4.3Å; A164-I251 HydrophobicContact CB-CD1 3.85Å; A164-I251 HydrophobicContact CB-CG1 4Å; P197-I251 HydrophobicContact CG-CB 4.48Å; P197-I251 HydrophobicContact CG-CG1 3.61Å; V247-I251 HydrophobicContact CG1-CD1 3.87Å; V247-I251 HydrophobicContact CG1-CG1 4.43Å; V247-I251 WeakPolarHBondContact O-CG1 3.44Å; V247-I251 PolarHBondContact O-N 2.8Å; V248-I251 PolarHBondContact O-N 2.98Å; V248-I251 VanDerWaalsContact O-N 3.16Å; I251-L253 PolarHBondContact O-N 3.15Å; I251-R254 PolarHBondContact O-N 3.06Å; I251-R254 VanDerWaalsContact O-N 3.11Å; I251-R255 HydrophobicContact CG2-CG 4.34Å; I251-R255 PolarHBondContact O-N 2.97Å |
| 252 | R | 93.7 | Very high | 90.5 | Very high | 33 Ų | 33 | 52.1 Ų | 52.1 | 13% | 0.125 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.2 | -47.8 | 179.8 | -71.9 | -175.9 | 178 | 159.7 | 1.8 | 111.6 | V133 E136 E137 V248 R254 R255 D256 | V133-R252 PolarHBondContact O-NH1 2.93Å; E136-R252 VanDerWaalsContact CB-NH2 3.31Å; E136-R252 PolarHBondContact O-NH2 2.88Å; E136-R252 IonicContact OE2-CZ 3.49Å; E136-R252 IonicContact OE2-NE 3.35Å; E136-R252 IonicContact OE2-NH1 3.1Å; E136-R252 PolarHBondContact OE2-NH1 2.84Å; E136-R252 IonicContact OE2-NH2 2.73Å; E137-R252 PolarHBondContact O-NH2 3.39Å; E137-R252 VanDerWaalsContact O-NH2 3.08Å; V248-R252 HydrophobicContact CG1-CG 4.36Å; V248-R252 PolarHBondContact O-N 2.81Å; R252-R254 PolarHBondContact O-N 2.67Å; R252-R254 VanDerWaalsContact O-N 3.16Å; R252-R255 PolarHBondContact O-N 2.89Å; R252-R255 VanDerWaalsContact O-N 3.15Å; R252-D256 VanDerWaalsContact O-CG 3.28Å; R252-D256 PolarHBondContact O-N 3.08Å |
| 253 | L | 92.4 | Very high | 89.7 | Confident | 94 Ų | 94 | 58.8 Ų | 58.8 | 49% | 0.492 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -54.4 | -37.9 | 177.2 | -75.8 | 168.7 | 0 | 0 | 0 | 113.7 | R249 I251 S257 | R249-L253 WeakPolarHBondContact O-CB 3.42Å; R249-L253 WeakPolarHBondContact O-CD1 3.38Å; R249-L253 WeakPolarHBondContact O-CG 3.25Å; R249-L253 PolarHBondContact O-N 2.84Å; I251-L253 PolarHBondContact O-N 3.15Å; L253-S257 WeakPolarHBondContact O-CB 3.43Å; L253-S257 PolarHBondContact O-N 3.45Å; L253-S257 PolarHBondContact O-OG 2.85Å |
| 254 | R | 89.7 | Confident | 88.7 | Confident | 43 Ų | 43 | 67.8 Ų | 67.8 | 16% | 0.162 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -80 | -37.3 | -179.9 | -74.5 | 170.7 | 166.2 | 87.2 | -3.2 | 112.4 | D195 P197 Q250 I251 R252 S257 K258 | D195-R254 WeakPolarHBondContact O-CD 3.3Å; D195-R254 IonicContact OD1-CZ 3.39Å; D195-R254 IonicContact OD1-NE 3.34Å; D195-R254 PolarHBondContact OD1-NE 3.21Å; D195-R254 IonicContact OD1-NH2 3.26Å; D195-R254 IonicContact OD2-NE 2.75Å; P197-R254 VanDerWaalsContact CA-CZ 3.49Å; Q250-R254 WeakPolarHBondContact O-CG 3.44Å; Q250-R254 PolarHBondContact O-NH1 3.43Å; I251-R254 PolarHBondContact O-N 3.06Å; I251-R254 VanDerWaalsContact O-N 3.11Å; R252-R254 PolarHBondContact O-N 2.67Å; R252-R254 VanDerWaalsContact O-N 3.16Å; R254-S257 PolarHBondContact O-N 3.43Å; R254-K258 WeakPolarHBondContact O-CB 3.14Å; R254-K258 PolarHBondContact O-N 3.33Å |
| 255 | R | 87.1 | Confident | 87.6 | Confident | 76 Ų | 76 | 72.2 Ų | 72.2 | 29% | 0.287 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.7 | -50.7 | 172.9 | -75 | -171.4 | 173.4 | -168.1 | -0.3 | 110.8 | S90 I251 R252 S257 K258 E259 | S90-R255 PolarHBondContact OG-NH1 2.81Å; S90-R255 VanDerWaalsContact OG-NH1 3.11Å; I251-R255 HydrophobicContact CG2-CG 4.34Å; I251-R255 PolarHBondContact O-N 2.97Å; R252-R255 PolarHBondContact O-N 2.89Å; R252-R255 VanDerWaalsContact O-N 3.15Å; R255-S257 VanDerWaalsContact C-N 3.31Å; R255-S257 PolarHBondContact O-N 3.31Å; R255-K258 WeakPolarHBondContact O-CB 3.17Å; R255-K258 PolarHBondContact O-N 3.37Å; R255-K258 VanDerWaalsContact O-N 3.07Å; R255-E259 PolarHBondContact O-N 2.95Å |
| 256 | D | 84.2 | Confident | 86.6 | Confident | 98 Ų | 98 | 73.3 Ų | 73.3 | 52% | 0.524 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59 | -42.7 | 179 | -65.8 | -12 | 0 | 0 | 0 | 112 | R252 K258 E259 A260 | R252-D256 VanDerWaalsContact O-CG 3.28Å; R252-D256 PolarHBondContact O-N 3.08Å; D256-K258 VanDerWaalsContact C-N 3.33Å; D256-K258 PolarHBondContact O-N 3.28Å; D256-E259 PolarHBondContact O-N 3.1Å; D256-A260 VanDerWaalsContact O-CB 3.29Å; D256-A260 WeakPolarHBondContact O-CB 3.31Å; D256-A260 PolarHBondContact O-N 2.8Å |
| 257 | S | 82.1 | Confident | 85.4 | Confident | 78 Ų | 78 | 74 Ų | 74 | 55% | 0.545 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 177.1 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | L253 R254 R255 N261 | L253-S257 WeakPolarHBondContact O-CB 3.43Å; L253-S257 PolarHBondContact O-N 3.45Å; L253-S257 PolarHBondContact O-OG 2.85Å; R254-S257 PolarHBondContact O-N 3.43Å; R255-S257 VanDerWaalsContact C-N 3.31Å; R255-S257 PolarHBondContact O-N 3.31Å; S257-N261 WeakPolarHBondContact O-CB 3.28Å; S257-N261 PolarHBondContact O-N 3Å |
| 258 | K | 81 | Confident | 83.9 | Confident | 169 Ų | 169 | 78.6 Ų | 78.6 | 74% | 0.735 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -67 | -44.5 | 177.9 | -169.7 | 176.9 | -179 | -179.6 | 0 | 111.3 | R254 R255 D256 N261 A262 | R254-K258 WeakPolarHBondContact O-CB 3.14Å; R254-K258 PolarHBondContact O-N 3.33Å; R255-K258 WeakPolarHBondContact O-CB 3.17Å; R255-K258 PolarHBondContact O-N 3.37Å; R255-K258 VanDerWaalsContact O-N 3.07Å; D256-K258 VanDerWaalsContact C-N 3.33Å; D256-K258 PolarHBondContact O-N 3.28Å; K258-N261 PolarHBondContact O-N 3.17Å; K258-A262 WeakPolarHBondContact O-CB 3.45Å; K258-A262 PolarHBondContact O-N 3.34Å |
| 259 | E | 80.8 | Confident | 82.2 | Confident | 96 Ų | 96 | 88 Ų | 88 | 45% | 0.449 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 176.5 | -73.4 | -171.4 | -157.7 | 0 | 0 | 112.5 | R255 D256 N261 A262 R263 | R255-E259 PolarHBondContact O-N 2.95Å; D256-E259 PolarHBondContact O-N 3.1Å; E259-N261 VanDerWaalsContact C-N 3.29Å; E259-N261 PolarHBondContact O-N 3.08Å; E259-A262 PolarHBondContact O-N 2.97Å; E259-R263 WeakPolarHBondContact O-CG 3.33Å; E259-R263 PolarHBondContact O-N 2.84Å; E259-R263 IonicContact OE2-NH2 3.62Å; E259-R263 PolarHBondContact OE2-NH2 3.43Å |
| 260 | A | 77.2 | Confident | 80.4 | Confident | 46 Ų | 46 | 95.4 Ų | 95.4 | 38% | 0.38 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D256 R264 | D256-A260 VanDerWaalsContact O-CB 3.29Å; D256-A260 WeakPolarHBondContact O-CB 3.31Å; D256-A260 PolarHBondContact O-N 2.8Å; A260-R264 VanDerWaalsContact O-CG 3.32Å; A260-R264 WeakPolarHBondContact O-CG 3.08Å; A260-R264 PolarHBondContact O-N 3.1Å |
| 261 | N | 78.1 | Confident | 78.4 | Confident | 86 Ų | 86 | 104.3 Ų | 104.3 | 46% | 0.46 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 176 | -164.9 | 14.6 | 0 | 0 | 0 | 111.8 | S257 K258 E259 R263 R264 Q265 | S257-N261 WeakPolarHBondContact O-CB 3.28Å; S257-N261 PolarHBondContact O-N 3Å; K258-N261 PolarHBondContact O-N 3.17Å; E259-N261 VanDerWaalsContact C-N 3.29Å; E259-N261 PolarHBondContact O-N 3.08Å; N261-R263 PolarHBondContact O-N 3.07Å; N261-R264 PolarHBondContact O-N 3.48Å; N261-Q265 WeakPolarHBondContact O-CG 3.38Å; N261-Q265 PolarHBondContact O-N 3.47Å; N261-Q265 PolarHBondContact OD1-NE2 3.3Å |
| 262 | A | 80.7 | Confident | 76.4 | Confident | 56 Ų | 56 | 107.8 Ų | 107.8 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | K258 E259 R264 Q265 A266 | K258-A262 WeakPolarHBondContact O-CB 3.45Å; K258-A262 PolarHBondContact O-N 3.34Å; E259-A262 PolarHBondContact O-N 2.97Å; A262-R264 PolarHBondContact O-N 2.93Å; A262-Q265 PolarHBondContact O-N 3.36Å; A262-A266 WeakPolarHBondContact O-CB 3.2Å; A262-A266 PolarHBondContact O-N 2.83Å |
| 263 | R | 81.5 | Confident | 74.8 | Confident | 179 Ų | 179 | 109.3 Ų | 109.3 | 68% | 0.675 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.7 | -43.2 | 175.6 | -69.9 | 177.6 | -166.4 | -173 | 9 | 111.8 | E259 N261 A266 G267 | E259-R263 WeakPolarHBondContact O-CG 3.33Å; E259-R263 PolarHBondContact O-N 2.84Å; E259-R263 IonicContact OE2-NH2 3.62Å; E259-R263 PolarHBondContact OE2-NH2 3.43Å; N261-R263 PolarHBondContact O-N 3.07Å; R263-A266 PolarHBondContact O-N 3.35Å; R263-G267 PolarHBondContact O-N 3.34Å |
| 264 | R | 77.8 | Confident | 73.3 | Confident | 193 Ų | 193 | 112.1 Ų | 112.1 | 73% | 0.728 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.8 | -44.2 | 174.7 | -74.5 | 175.3 | -178.2 | -177 | 2.4 | 112 | A260 N261 A262 G267 T268 | A260-R264 VanDerWaalsContact O-CG 3.32Å; A260-R264 WeakPolarHBondContact O-CG 3.08Å; A260-R264 PolarHBondContact O-N 3.1Å; N261-R264 PolarHBondContact O-N 3.48Å; A262-R264 PolarHBondContact O-N 2.93Å; R264-G267 PolarHBondContact O-N 2.85Å; R264-T268 PolarHBondContact O-N 3.21Å; R264-T268 PolarHBondContact O-OG1 3.44Å |
| 265 | Q | 75.5 | Confident | 72.2 | Confident | 94 Ų | 94 | 112.3 Ų | 112.3 | 44% | 0.439 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.8 | -40.1 | 178.2 | -71 | -179.1 | 36.2 | 0 | 0 | 112.3 | N261 A262 G267 T268 R269 | N261-Q265 WeakPolarHBondContact O-CG 3.38Å; N261-Q265 PolarHBondContact O-N 3.47Å; N261-Q265 PolarHBondContact OD1-NE2 3.3Å; A262-Q265 PolarHBondContact O-N 3.36Å; Q265-G267 VanDerWaalsContact C-N 3.35Å; Q265-G267 PolarHBondContact O-N 3.07Å; Q265-T268 PolarHBondContact O-N 3.35Å; Q265-T268 PolarHBondContact O-OG1 2.98Å; Q265-R269 WeakPolarHBondContact O-CG 3.39Å; Q265-R269 PolarHBondContact O-N 2.99Å; Q265-R269 VanDerWaalsContact O-N 3.07Å |
| 266 | A | 77 | Confident | 71.2 | Confident | 59 Ų | 59 | 115.2 Ų | 115.2 | 49% | 0.488 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62 | -42.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | A262 R263 R269 R270 | A262-A266 WeakPolarHBondContact O-CB 3.2Å; A262-A266 PolarHBondContact O-N 2.83Å; R263-A266 PolarHBondContact O-N 3.35Å; A266-R269 PolarHBondContact O-N 3.15Å; A266-R270 PolarHBondContact O-N 2.91Å |
| 267 | G | 72.1 | Confident | 70.5 | Confident | 37 Ų | 37 | 116.3 Ų | 116.3 | 38% | 0.381 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.9 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R263 R264 Q265 R270 R271 | R263-G267 PolarHBondContact O-N 3.34Å; R264-G267 PolarHBondContact O-N 2.85Å; Q265-G267 VanDerWaalsContact C-N 3.35Å; Q265-G267 PolarHBondContact O-N 3.07Å; G267-R270 PolarHBondContact O-N 2.84Å; G267-R271 WeakPolarHBondContact O-CB 3.21Å; G267-R271 PolarHBondContact O-N 3.32Å; G267-R271 VanDerWaalsContact O-N 3.08Å |
| 268 | T | 66.9 | Low | 70 | Confident | 96 Ų | 96 | 114.9 Ų | 114.9 | 59% | 0.589 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.9 | -35.7 | 175.9 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | R264 Q265 R271 E272 | R264-T268 PolarHBondContact O-N 3.21Å; R264-T268 PolarHBondContact O-OG1 3.44Å; Q265-T268 PolarHBondContact O-N 3.35Å; Q265-T268 PolarHBondContact O-OG1 2.98Å; T268-R271 CarbonylContact O-C 3.43Å; T268-R271 PolarHBondContact O-N 3.04Å; T268-E272 PolarHBondContact O-N 3.15Å |
| 269 | R | 60.3 | Low | 69.7 | Low | 199 Ų | 199 | 115 Ų | 115 | 75% | 0.751 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.9 | -39.2 | 173.2 | -73.9 | -179.7 | 173 | -179 | -0.5 | 112.2 | Q265 A266 R271 E272 | Q265-R269 WeakPolarHBondContact O-CG 3.39Å; Q265-R269 PolarHBondContact O-N 2.99Å; Q265-R269 VanDerWaalsContact O-N 3.07Å; A266-R269 PolarHBondContact O-N 3.15Å; R269-R271 VanDerWaalsContact C-N 3.29Å; R269-R271 PolarHBondContact O-N 3.47Å; R269-E272 PolarHBondContact O-N 3.27Å |
| 270 | R | 58.9 | Low | 69.3 | Low | 236 Ų | 236 | 117.9 Ų | 117.9 | 89% | 0.891 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.6 | -25 | 175.4 | -161.3 | 174.8 | 178.6 | -172.3 | -0.2 | 112.7 | A266 G267 | A266-R270 PolarHBondContact O-N 2.91Å; G267-R270 PolarHBondContact O-N 2.84Å |
| 271 | R | 54.6 | Low | 69.1 | Low | 217 Ų | 217 | 121.8 Ų | 121.8 | 82% | 0.819 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 24.4 | 175.1 | -93.7 | 174.6 | 114.7 | 176.5 | 3.2 | 114.3 | G267 T268 R269 S273 | G267-R271 WeakPolarHBondContact O-CB 3.21Å; G267-R271 PolarHBondContact O-N 3.32Å; G267-R271 VanDerWaalsContact O-N 3.08Å; T268-R271 CarbonylContact O-C 3.43Å; T268-R271 PolarHBondContact O-N 3.04Å; R269-R271 VanDerWaalsContact C-N 3.29Å; R269-R271 PolarHBondContact O-N 3.47Å; R271-S273 VanDerWaalsContact C-N 3.25Å; R271-S273 PolarHBondContact O-N 2.54Å |
| 272 | E | 53.3 | Low | 68.9 | Low | 79 Ų | 79 | 122.6 Ų | 122.6 | 37% | 0.369 | 59% | 0.585 | S | S | . | * | trans | -65 | 92.8 | 161.2 | -80.7 | -158.6 | 152.9 | 0 | 0 | 109 | T268 R269 K277 R280 | T268-E272 PolarHBondContact O-N 3.15Å; R269-E272 PolarHBondContact O-N 3.27Å; E272-K277 VanDerWaalsContact OE2-CE 3.3Å; E272-K277 WeakPolarHBondContact OE2-CE 3.48Å; E272-R280 IonicContact OE1-NH1 3.67Å | ||
| 273 | S | 60 | Low | 68.4 | Low | 64 Ų | 64 | 122 Ų | 122 | 45% | 0.448 | 58% | 0.584 | S | S | . | * | trans | -59.5 | 145.8 | 176.4 | 72.4 | 0 | 0 | 0 | 0 | 110.1 | R271 G275 K276 K277 | R271-S273 VanDerWaalsContact C-N 3.25Å; R271-S273 PolarHBondContact O-N 2.54Å; S273-G275 PolarHBondContact O-N 3.5Å; S273-K276 PolarHBondContact O-N 3.24Å; S273-K277 PolarHBondContact O-N 3.07Å | ||
| 274 | L | 61.5 | Low | 67.7 | Low | 154 Ų | 154 | 121.7 Ų | 121.7 | 81% | 0.806 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -46.1 | -32.8 | 173 | -76.5 | 162.5 | 0 | 0 | 0 | 111.8 | K277 A278 | L274-K277 PolarHBondContact O-N 3.27Å; L274-A278 VanDerWaalsContact O-CB 3.24Å; L274-A278 WeakPolarHBondContact O-CB 3.07Å; L274-A278 PolarHBondContact O-N 3.47Å |
| 275 | G | 65.1 | Low | 67.4 | Low | 47 Ų | 47 | 116.1 Ų | 116.1 | 49% | 0.485 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64 | -38.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S273 K279 | S273-G275 PolarHBondContact O-N 3.5Å; G275-K279 WeakPolarHBondContact O-CB 3.49Å; G275-K279 PolarHBondContact O-N 3.38Å |
| 276 | K | 66.4 | Low | 67 | Low | 137 Ų | 137 | 116.3 Ų | 116.3 | 60% | 0.596 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -72.9 | -36.2 | 175.3 | -76.3 | -176.8 | -179.7 | 176.4 | 0 | 111.7 | S273 K279 R280 | S273-K276 PolarHBondContact O-N 3.24Å; K276-K279 PolarHBondContact O-N 2.94Å; K276-R280 WeakPolarHBondContact O-CG 3.38Å; K276-R280 PolarHBondContact O-N 3.21Å; K276-R280 VanDerWaalsContact O-N 3.08Å |
| 277 | K | 70.1 | Confident | 66 | Low | 121 Ų | 121 | 116.5 Ų | 116.5 | 53% | 0.526 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.7 | -44.7 | 171.9 | -74.2 | -177.2 | 177.8 | 176.8 | 0 | 111.4 | E272 S273 L274 R280 F281 | E272-K277 VanDerWaalsContact OE2-CE 3.3Å; E272-K277 WeakPolarHBondContact OE2-CE 3.48Å; S273-K277 PolarHBondContact O-N 3.07Å; L274-K277 PolarHBondContact O-N 3.27Å; K277-R280 PolarHBondContact O-N 3.14Å; K277-F281 WeakPolarHBondContact O-CB 2.99Å; K277-F281 PolarHBondContact O-N 2.98Å |
| 278 | A | 70.5 | Confident | 65.4 | Low | 47 Ų | 47 | 124.5 Ų | 124.5 | 39% | 0.388 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.6 | -41.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L274 R280 F281 L282 | L274-A278 VanDerWaalsContact O-CB 3.24Å; L274-A278 WeakPolarHBondContact O-CB 3.07Å; L274-A278 PolarHBondContact O-N 3.47Å; A278-R280 PolarHBondContact O-N 3.47Å; A278-F281 PolarHBondContact O-N 3.48Å; A278-L282 WeakPolarHBondContact O-CB 3.17Å; A278-L282 VanDerWaalsContact O-CG 3.31Å; A278-L282 WeakPolarHBondContact O-CG 3.45Å; A278-L282 PolarHBondContact O-N 3.14Å |
| 279 | K | 74.8 | Confident | 64.7 | Low | 171 Ų | 171 | 126.4 Ų | 126.4 | 74% | 0.743 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.8 | -39.3 | 176.9 | -164.7 | 172.3 | -174.9 | 175.2 | 0 | 112.6 | G275 K276 G283 | G275-K279 WeakPolarHBondContact O-CB 3.49Å; G275-K279 PolarHBondContact O-N 3.38Å; K276-K279 PolarHBondContact O-N 2.94Å; K279-G283 PolarHBondContact O-N 3.17Å |
| 280 | R | 73.6 | Confident | 64.2 | Low | 157 Ų | 157 | 119.8 Ų | 119.8 | 59% | 0.592 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.3 | -36.6 | 173.2 | -72 | 178.1 | 103.7 | 175.1 | 4.5 | 112.1 | E272 K276 K277 A278 R284 | E272-R280 IonicContact OE1-NH1 3.67Å; K276-R280 WeakPolarHBondContact O-CG 3.38Å; K276-R280 PolarHBondContact O-N 3.21Å; K276-R280 VanDerWaalsContact O-N 3.08Å; K277-R280 PolarHBondContact O-N 3.14Å; A278-R280 PolarHBondContact O-N 3.47Å; R280-R284 PolarHBondContact O-N 2.93Å; R280-R284 VanDerWaalsContact O-N 3.1Å |
| 281 | F | 73.2 | Confident | 63.9 | Low | 128 Ų | 128 | 119 Ų | 119 | 56% | 0.561 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67 | -48.6 | 176.2 | -175.9 | -105.1 | 0 | 0 | 0 | 111.8 | K277 A278 G283 R284 I285 | K277-F281 WeakPolarHBondContact O-CB 2.99Å; K277-F281 PolarHBondContact O-N 2.98Å; A278-F281 PolarHBondContact O-N 3.48Å; F281-G283 VanDerWaalsContact C-N 3.33Å; F281-G283 PolarHBondContact O-N 2.84Å; F281-R284 PolarHBondContact O-N 3.05Å; F281-R284 VanDerWaalsContact O-N 3.15Å; F281-I285 HydrophobicContact CD1-CD1 3.64Å; F281-I285 HydrophobicContact CE1-CD1 3.21Å; F281-I285 HydrophobicContact CE1-CG1 4.34Å; F281-I285 HydrophobicContact CE2-CD1 4.4Å; F281-I285 HydrophobicContact CG-CD1 4.41Å; F281-I285 HydrophobicContact CZ-CD1 3.64Å; F281-I285 HydrophobicContact CZ-CG1 4.5Å; F281-I285 WeakPolarHBondContact O-CG1 3.2Å; F281-I285 PolarHBondContact O-N 3.27Å |
| 282 | L | 72.6 | Confident | 63.6 | Low | 103 Ų | 103 | 118.1 Ų | 118.1 | 54% | 0.539 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.7 | -40.1 | 174.7 | -71.1 | 169.2 | 0 | 0 | 0 | 111.5 | A278 R284 I285 V286 | A278-L282 WeakPolarHBondContact O-CB 3.17Å; A278-L282 VanDerWaalsContact O-CG 3.31Å; A278-L282 WeakPolarHBondContact O-CG 3.45Å; A278-L282 PolarHBondContact O-N 3.14Å; L282-R284 VanDerWaalsContact C-N 3.32Å; L282-R284 PolarHBondContact O-N 3.23Å; L282-I285 PolarHBondContact O-N 3.15Å; L282-I285 VanDerWaalsContact O-N 3.17Å; L282-V286 WeakPolarHBondContact O-CB 3.43Å; L282-V286 VanDerWaalsContact O-CG2 3.29Å; L282-V286 WeakPolarHBondContact O-CG2 3.44Å; L282-V286 PolarHBondContact O-N 2.8Å |
| 283 | G | 69.8 | Low | 63.3 | Low | 43 Ų | 43 | 122.4 Ų | 122.4 | 44% | 0.443 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -58.9 | -39.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K279 F281 A287 | K279-G283 PolarHBondContact O-N 3.17Å; F281-G283 VanDerWaalsContact C-N 3.33Å; F281-G283 PolarHBondContact O-N 2.84Å; G283-A287 VanDerWaalsContact O-CB 3.26Å; G283-A287 WeakPolarHBondContact O-CB 3.29Å; G283-A287 PolarHBondContact O-N 3.13Å |
| 284 | R | 68.2 | Low | 62.8 | Low | 174 Ų | 174 | 123.7 Ų | 123.7 | 66% | 0.657 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.6 | -35.9 | 174.1 | -75 | 179.1 | -168.9 | 147.1 | 0.8 | 112.9 | R280 F281 L282 R288 | R280-R284 PolarHBondContact O-N 2.93Å; R280-R284 VanDerWaalsContact O-N 3.1Å; F281-R284 PolarHBondContact O-N 3.05Å; F281-R284 VanDerWaalsContact O-N 3.15Å; L282-R284 VanDerWaalsContact C-N 3.32Å; L282-R284 PolarHBondContact O-N 3.23Å; R284-R288 VanDerWaalsContact O-CB 3.28Å; R284-R288 WeakPolarHBondContact O-CB 3.31Å; R284-R288 PolarHBondContact O-N 2.99Å; R284-R288 VanDerWaalsContact O-N 3.13Å |
| 285 | I | 70.1 | Confident | 62 | Low | 75 Ų | 75 | 125.7 Ų | 125.7 | 39% | 0.385 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.9 | -46.1 | 177 | -70.1 | 174 | 0 | 0 | 0 | 110.6 | F281 L282 A287 R288 N289 | F281-I285 HydrophobicContact CD1-CD1 3.64Å; F281-I285 HydrophobicContact CE1-CD1 3.21Å; F281-I285 HydrophobicContact CE1-CG1 4.34Å; F281-I285 HydrophobicContact CE2-CD1 4.4Å; F281-I285 HydrophobicContact CG-CD1 4.41Å; F281-I285 HydrophobicContact CZ-CD1 3.64Å; F281-I285 HydrophobicContact CZ-CG1 4.5Å; F281-I285 WeakPolarHBondContact O-CG1 3.2Å; F281-I285 PolarHBondContact O-N 3.27Å; L282-I285 PolarHBondContact O-N 3.15Å; L282-I285 VanDerWaalsContact O-N 3.17Å; I285-A287 PolarHBondContact O-N 3Å; I285-R288 PolarHBondContact O-N 3.35Å; I285-R288 VanDerWaalsContact O-N 3.12Å; I285-N289 PolarHBondContact O-N 3.19Å |
| 286 | V | 67.1 | Low | 61.2 | Low | 99 Ų | 99 | 134.1 Ų | 134.1 | 60% | 0.6 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.6 | -42.5 | 178.8 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | L282 R288 N289 S290 | L282-V286 WeakPolarHBondContact O-CB 3.43Å; L282-V286 VanDerWaalsContact O-CG2 3.29Å; L282-V286 WeakPolarHBondContact O-CG2 3.44Å; L282-V286 PolarHBondContact O-N 2.8Å; V286-R288 PolarHBondContact O-N 2.88Å; V286-N289 PolarHBondContact O-N 3.45Å; V286-S290 WeakPolarHBondContact O-CB 3.48Å; V286-S290 PolarHBondContact O-N 3.18Å; V286-S290 PolarHBondContact O-OG 3.35Å |
| 287 | A | 57.3 | Low | 60 | Low | 63 Ų | 63 | 132.7 Ų | 132.7 | 52% | 0.521 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -65.1 | -25.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G283 I285 S290 | G283-A287 VanDerWaalsContact O-CB 3.26Å; G283-A287 WeakPolarHBondContact O-CB 3.29Å; G283-A287 PolarHBondContact O-N 3.13Å; I285-A287 PolarHBondContact O-N 3Å; A287-S290 WeakPolarHBondContact CA-OG 3.21Å; A287-S290 PolarHBondContact O-OG 3.31Å |
| 288 | R | 58.3 | Low | 58.6 | Low | 204 Ų | 204 | 136 Ų | 136 | 77% | 0.77 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -84.2 | -29.7 | 177.1 | -157.4 | 169.5 | -179.8 | 155.2 | -0.8 | 111.8 | R284 I285 V286 | R284-R288 VanDerWaalsContact O-CB 3.28Å; R284-R288 WeakPolarHBondContact O-CB 3.31Å; R284-R288 PolarHBondContact O-N 2.99Å; R284-R288 VanDerWaalsContact O-N 3.13Å; I285-R288 PolarHBondContact O-N 3.35Å; I285-R288 VanDerWaalsContact O-N 3.12Å; V286-R288 PolarHBondContact O-N 2.88Å |
| 289 | N | 52.4 | Low | 57.5 | Low | 136 Ų | 136 | 139.3 Ų | 139.3 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -83.4 | -17.8 | 175.4 | -110.6 | 12.5 | 0 | 0 | 0 | 114.1 | I285 V286 R291 | I285-N289 PolarHBondContact O-N 3.19Å; V286-N289 PolarHBondContact O-N 3.45Å; N289-R291 VanDerWaalsContact C-N 3.29Å; N289-R291 PolarHBondContact O-N 3.47Å |
| 290 | S | 51.5 | Low | 55.9 | Low | 60 Ų | 60 | 140.9 Ų | 140.9 | 42% | 0.42 | 70% | 0.696 | S | S | . | * | G | 310 helix | trans | -80.2 | 0.8 | 178.2 | 55.1 | 0 | 0 | 0 | 0 | 114.9 | V286 A287 K292 M293 | V286-S290 WeakPolarHBondContact O-CB 3.48Å; V286-S290 PolarHBondContact O-N 3.18Å; V286-S290 PolarHBondContact O-OG 3.35Å; A287-S290 WeakPolarHBondContact CA-OG 3.21Å; A287-S290 PolarHBondContact O-OG 3.31Å; S290-K292 PolarHBondContact O-N 3.37Å; S290-K292 VanDerWaalsContact O-N 3.1Å; S290-M293 PolarHBondContact O-N 3.37Å; S290-M293 VanDerWaalsContact O-N 3.09Å |
| 291 | R | 52.1 | Low | 54.3 | Low | 219 Ų | 219 | 138.7 Ų | 138.7 | 83% | 0.826 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -61.5 | -14.2 | 170.3 | -82.1 | -173.8 | -175.5 | 173 | 0.5 | 113.8 | N289 | N289-R291 VanDerWaalsContact C-N 3.29Å; N289-R291 PolarHBondContact O-N 3.47Å |
| 292 | K | 48 | Very low | 53.4 | Low | 200 Ų | 200 | 137.9 Ų | 137.9 | 87% | 0.87 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -99.4 | 3.3 | 174.7 | -73.9 | -173.1 | 176.4 | -178.7 | 0 | 115 | S290 | S290-K292 PolarHBondContact O-N 3.37Å; S290-K292 VanDerWaalsContact O-N 3.1Å |
| 293 | M | 47.8 | Very low | 52 | Low | 169 Ų | 169 | 141.9 Ų | 141.9 | 83% | 0.833 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -121.3 | 19.7 | 177.6 | -72.5 | -66.6 | -171.3 | 0 | 0 | 113.7 | S290 F295 | S290-M293 PolarHBondContact O-N 3.37Å; S290-M293 VanDerWaalsContact O-N 3.09Å; M293-F295 PolarHBondContact O-N 2.89Å |
| 294 | A | 48.2 | Very low | 50.7 | Low | 90 Ų | 90 | 146.8 Ų | 146.8 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | trans | -86.5 | 20.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 295 | F | 45.6 | Very low | 49.7 | Very low | 197 Ų | 197 | 145.9 Ų | 145.9 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -137 | 67.1 | 179.4 | -146.1 | -87 | 0 | 0 | 0 | 111.5 | M293 | M293-F295 PolarHBondContact O-N 2.89Š|
| 296 | R | 48.7 | Very low | 48.4 | Very low | 224 Ų | 224 | 147.5 Ų | 147.5 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | 168.6 | 83.3 | 147.4 | -94.7 | 165.1 | 85.1 | 169.2 | 5.5 | 110 | ||||
| 297 | A | 41.3 | Very low | 47.1 | Very low | 107 Ų | 107 | 149.1 Ų | 149.1 | 88% | 0.884 | 78% | 0.78 | S | S | * | * | trans | -133 | 89.1 | 145.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 298 | K | 38.8 | Very low | 46.5 | Very low | 191 Ų | 191 | 157.6 Ų | 157.6 | 83% | 0.83 | 82% | 0.815 | S | S | * | * | trans | -66.1 | 141.4 | 178.9 | -80.3 | 177.6 | 170.6 | -178.1 | 0 | 110 | ||||
| 299 | S | 47.6 | Very low | 45.9 | Very low | 115 Ų | 115 | 155.3 Ų | 155.3 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -44.7 | 142.7 | 169.1 | -43.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 300 | K | 41.5 | Very low | 45.5 | Very low | 205 Ų | 205 | 156.3 Ų | 156.3 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | trans | -147.9 | 93.5 | 146.4 | -71.1 | -170.2 | 177.1 | -179.2 | 0 | 105.4 | ||||
| 301 | S | 40.3 | Very low | 45.2 | Very low | 110 Ų | 110 | 161.6 Ų | 161.6 | 77% | 0.769 | 84% | 0.844 | S | S | * | * | 50 | 110.9 | 84.9 | -168.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 302 | C | 54.5 | Low | 44.8 | Very low | 111 Ų | 111 | 158.2 Ų | 158.2 | 75% | 0.75 | 85% | 0.845 | S | S | * | * | trans | 13.7 | 130 | 156.5 | -51.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 303 | H | 43.7 | Very low | 44.6 | Very low | 188 Ų | 188 | 155.6 Ų | 155.6 | 87% | 0.87 | 84% | 0.844 | S | S | * | * | trans | 173.4 | 131 | 139.4 | -88.5 | 82.7 | 0 | 0 | 0 | 103 | ||||
| 304 | D | 42.3 | Very low | 44.4 | Very low | 146 Ų | 146 | 154.7 Ų | 154.7 | 78% | 0.781 | 85% | 0.845 | S | S | * | * | cis | -165.7 | 163.9 | 18 | -160.5 | -3.5 | 0 | 0 | 0 | 108.3 | ||||
| 305 | L | 46.2 | Very low | 44.1 | Very low | 155 Ų | 155 | 159.4 Ų | 159.4 | 81% | 0.812 | 85% | 0.852 | S | S | * | * | trans | -80.3 | 171.8 | 180 | -75.7 | 155 | 0 | 0 | 0 | 113.3 | ||||
| 306 | S | 43.2 | Very low | 44 | Very low | 108 Ų | 108 | 156.5 Ų | 156.5 | 76% | 0.755 | 85% | 0.851 | S | S | * | * | trans | 104.8 | 103 | 164 | 73.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 307 | V | 39.2 | Very low | 43.6 | Very low | 134 Ų | 134 | 150.8 Ų | 150.8 | 81% | 0.812 | 85% | 0.851 | S | S | * | * | 71 | 106.1 | 80.5 | 179 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 308 | L | 44.3 | Very low | 43.8 | Very low | 240 Ų | 240 | 154.8 Ų | 154.8 | 100% | 1.257 | 85% | 0.848 | S | S | * | * | -161.9 | 0 | 106 | -93.1 | 172.6 | 0 | 0 | 0 | 109.9 |
Retrieved 308 of 308 residues in 79.9 ms
(Link to these results)