| 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 | 44.4 | Very low | 43.6 | Very low | 252 Ų | 252 | 163.5 Ų | 163.5 | 100% | 1.241 | 86% | 0.857 | S | S | * | * | 0 | 119.9 | 0 | -83.2 | 170.2 | 162.2 | 0 | 0 | 108.3 | |||||
| 2 | Q | 45.6 | Very low | 43.8 | Very low | 187 Ų | 187 | 162.7 Ų | 162.7 | 87% | 0.874 | 85% | 0.852 | S | S | * | * | trans | -76 | 151.9 | 175.3 | -72.5 | 167.4 | -15.5 | 0 | 0 | 111.5 | ||||
| 3 | A | 46.8 | Very low | 43.6 | Very low | 97 Ų | 97 | 168.2 Ų | 168.2 | 80% | 0.802 | 86% | 0.855 | S | S | * | * | trans | -175 | 102 | 142.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 4 | V | 49.3 | Very low | 43.6 | Very low | 118 Ų | 118 | 163.4 Ų | 163.4 | 72% | 0.715 | 84% | 0.844 | S | S | * | * | 46.4 | 113.9 | 66.9 | -170.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 5 | R | 48 | Very low | 43.1 | Very low | 239 Ų | 239 | 167.2 Ų | 167.2 | 90% | 0.902 | 84% | 0.843 | S | S | * | * | trans | 159.5 | 143 | 139.6 | -87 | 159.8 | -175.4 | -154.1 | 1.9 | 108.3 | ||||
| 6 | N | 42 | Very low | 43 | Very low | 153 Ų | 153 | 164.1 Ų | 164.1 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | cis | -165.5 | 156.1 | -20.5 | -158.9 | 5.1 | 0 | 0 | 0 | 105.9 | ||||
| 7 | V | 45.3 | Very low | 42.8 | Very low | 140 Ų | 140 | 169.1 Ų | 169.1 | 85% | 0.848 | 84% | 0.842 | S | S | * | * | trans | -80.8 | 155.9 | -177 | 170.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 8 | G | 38.8 | Very low | 43.1 | Very low | 67 Ų | 67 | 165.9 Ų | 165.9 | 69% | 0.691 | 84% | 0.836 | S | S | * | * | trans | 160.7 | 93.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 9 | S | 40.9 | Very low | 43.4 | Very low | 108 Ų | 108 | 167.2 Ų | 167.2 | 76% | 0.755 | 84% | 0.838 | S | S | * | * | 79 | 116.5 | 83.7 | -174.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 10 | W | 40.6 | Very low | 43.6 | Very low | 242 Ų | 242 | 165.8 Ų | 165.8 | 92% | 0.917 | 84% | 0.839 | S | S | * | * | trans | -62.5 | 146 | 171.1 | -70.7 | 17.8 | 0 | 0 | 0 | 112.7 | ||||
| 11 | F | 37.8 | Very low | 43.7 | Very low | 196 Ų | 196 | 164.6 Ų | 164.6 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | trans | -149.1 | 136.7 | 154 | -111 | -79.9 | 0 | 0 | 0 | 111.7 | ||||
| 12 | L | 46.2 | Very low | 43.6 | Very low | 153 Ų | 153 | 156 Ų | 156 | 80% | 0.801 | 82% | 0.816 | S | S | * | * | trans | -58.4 | 154.3 | 178.9 | -72.2 | 75.4 | 0 | 0 | 0 | 113 | ||||
| 13 | R | 41.3 | Very low | 43.4 | Very low | 235 Ų | 235 | 153.8 Ų | 153.8 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | -159 | 131.3 | 133.1 | -108.2 | 161.3 | -170.3 | -92.6 | 1.1 | 112.1 | ||||
| 14 | S | 43.1 | Very low | 43.4 | Very low | 100 Ų | 100 | 155.5 Ų | 155.5 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | trans | -61.6 | 165 | 169.3 | 46 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 15 | W | 37 | Very low | 43 | Very low | 221 Ų | 221 | 154.1 Ų | 154.1 | 84% | 0.837 | 82% | 0.816 | S | S | * | * | trans | -176.2 | 104.3 | 140.5 | -96.5 | 23 | 0 | 0 | 0 | 108.9 | ||||
| 16 | T | 41.3 | Very low | 43 | Very low | 117 Ų | 117 | 153.9 Ų | 153.9 | 72% | 0.718 | 82% | 0.816 | S | S | * | * | 58.7 | 110.7 | 105.4 | 61.1 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 17 | W | 39.2 | Very low | 43.2 | Very low | 249 Ų | 249 | 152.6 Ų | 152.6 | 94% | 0.943 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 151.9 | 168 | -81.4 | 53 | 0 | 0 | 0 | 112 | ||
| 18 | P | 48.1 | Very low | 43.1 | Very low | 113 Ų | 113 | 151.2 Ų | 151.2 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 138.3 | 152.4 | 28.3 | -15.9 | 0 | 0 | 0 | 111.6 | ||
| 19 | Q | 49.8 | Very low | 43.6 | Very low | 189 Ų | 189 | 152.8 Ų | 152.8 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 143.4 | 168.3 | -65.5 | -143.3 | -18.5 | 0 | 0 | 111 | ||
| 20 | T | 47.8 | Very low | 43.6 | Very low | 140 Ų | 140 | 159 Ų | 159 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | trans | -127.6 | 143.9 | 154.6 | 41.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 21 | T | 44.1 | Very low | 43.7 | Very low | 140 Ų | 140 | 152.6 Ų | 152.6 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | -74.7 | 142.3 | -161.7 | 41.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 22 | G | 42.8 | Very low | 44.2 | Very low | 71 Ų | 71 | 150.1 Ų | 150.1 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | 74.4 | 118.1 | 125.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 23 | V | 40.5 | Very low | 44.3 | Very low | 141 Ų | 141 | 150 Ų | 150 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | 166.5 | 125.9 | 104.7 | 161.4 | 0 | 0 | 0 | 0 | 107.6 | A25 | V23-A25 PolarHBondContact O-N 3.04Š| |||
| 24 | V | 47.7 | Very low | 44.9 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | -75 | 112.4 | 173.5 | 173.1 | 0 | 0 | 0 | 0 | 108.5 | R26 | V24-R26 HydrophobicContact CG1-CG 4.45Š| ||
| 25 | A | 40.7 | Very low | 45.1 | Very low | 89 Ų | 89 | 142.9 Ų | 142.9 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -102.6 | 104 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | V23 | V23-A25 PolarHBondContact O-N 3.04Š| ||
| 26 | R | 48.7 | Very low | 45.9 | Very low | 234 Ų | 234 | 135.5 Ų | 135.5 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | trans | -74.5 | 122.8 | 161.1 | -93 | -179.7 | 165.4 | -179.5 | -3.8 | 107.7 | V24 | V24-R26 HydrophobicContact CG1-CG 4.45Š| ||
| 27 | T | 45.9 | Very low | 46.5 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | -162.3 | 159.4 | 157.7 | 13.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 28 | P | 42 | Very low | 47.2 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | -84.6 | 165.2 | -112.1 | 36.6 | -36.6 | 0 | 0 | 0 | 113 | R30 | P28-R30 PolarHBondContact O-N 3.25Š| |||
| 29 | A | 50 | Low | 47.4 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -46.8 | 112.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | T31 | A29-T31 PolarHBondContact O-N 3.44Š| ||
| 30 | R | 40.1 | Very low | 47.8 | Very low | 239 Ų | 239 | 130.3 Ų | 130.3 | 90% | 0.902 | 72% | 0.722 | S | S | * | * | trans | -69.9 | 103.5 | 163.1 | -84.6 | -174.6 | 173.5 | -177.6 | -1.6 | 106 | P28 I32 | P28-R30 PolarHBondContact O-N 3.25Å; R30-I32 PolarHBondContact O-N 3.27Å | ||
| 31 | T | 44 | Very low | 48.1 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 66% | 0.656 | 71% | 0.705 | S | S | * | * | trans | -32.9 | 123.2 | 157.3 | 39.3 | 0 | 0 | 0 | 0 | 110.2 | A29 H33 | A29-T31 PolarHBondContact O-N 3.44Å; T31-H33 PolarHBondContact O-N 3.42Å | ||
| 32 | I | 48.5 | Very low | 48.7 | Very low | 144 Ų | 144 | 123.5 Ų | 123.5 | 74% | 0.738 | 68% | 0.681 | S | S | * | * | trans | -63.7 | 84.4 | 168.4 | -59 | 167 | 0 | 0 | 0 | 106.6 | R30 | R30-I32 PolarHBondContact O-N 3.27Š| ||
| 33 | H | 47.8 | Very low | 49.4 | Very low | 150 Ų | 150 | 122 Ų | 122 | 69% | 0.694 | 66% | 0.662 | S | S | * | * | trans | -137.2 | 91.6 | 170.3 | -74.6 | -46.2 | 0 | 0 | 0 | 106.2 | T31 | T31-H33 PolarHBondContact O-N 3.42Š| ||
| 34 | T | 53.7 | Low | 50.1 | Low | 80 Ų | 80 | 117.3 Ų | 117.3 | 49% | 0.491 | 64% | 0.638 | S | S | . | * | 155 | 48.4 | 122.4 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | A36 Q38 | T34-A36 VanDerWaalsContact C-N 3.34Å; T34-Q38 PolarHBondContact O-N 3.16Å | |||
| 35 | D | 46.5 | Very low | 50.3 | Low | 106 Ų | 106 | 118 Ų | 118 | 57% | 0.567 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -74.5 | -25.5 | 176 | -68.3 | -42.4 | 0 | 0 | 0 | 112.7 | L39 | D35-L39 WeakPolarHBondContact O-CB 3.35Å; D35-L39 WeakPolarHBondContact O-CD1 3.14Å; D35-L39 VanDerWaalsContact O-CG 3.23Å; D35-L39 WeakPolarHBondContact O-CG 3.39Å; D35-L39 PolarHBondContact O-N 3.11Å |
| 36 | A | 53.7 | Low | 50.7 | Low | 66 Ų | 66 | 119.9 Ų | 119.9 | 55% | 0.545 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -75.1 | -39.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T34 Q40 | T34-A36 VanDerWaalsContact C-N 3.34Å; A36-Q40 WeakPolarHBondContact O-CB 3.37Å; A36-Q40 WeakPolarHBondContact O-CG 3.1Å; A36-Q40 PolarHBondContact O-N 3.07Å; A36-Q40 VanDerWaalsContact O-N 3.16Å |
| 37 | R | 54.5 | Low | 50.7 | Low | 181 Ų | 181 | 114 Ų | 114 | 68% | 0.683 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -78.2 | -38.2 | -178.6 | -84.8 | -175 | 178.2 | 173.8 | -0.9 | 112.8 | L39 Q40 D41 | R37-L39 VanDerWaalsContact C-N 3.34Å; R37-L39 PolarHBondContact O-N 3.45Å; R37-Q40 CarbonylContact O-C 3.51Å; R37-Q40 PolarHBondContact O-N 3.4Å; R37-D41 WeakPolarHBondContact O-CB 3.33Å; R37-D41 PolarHBondContact O-N 2.76Å |
| 38 | Q | 53.3 | Low | 50.8 | Low | 128 Ų | 128 | 112.6 Ų | 112.6 | 60% | 0.598 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.2 | -33.3 | 176.7 | -83.8 | -179.5 | -27.6 | 0 | 0 | 112.8 | T34 A42 | T34-Q38 PolarHBondContact O-N 3.16Å; Q38-A42 WeakPolarHBondContact O-CB 3.31Å; Q38-A42 PolarHBondContact O-N 3.47Å |
| 39 | L | 53.6 | Low | 51 | Low | 126 Ų | 126 | 114.2 Ų | 114.2 | 66% | 0.66 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.7 | -34.1 | 171.7 | -71.4 | 172.8 | 0 | 0 | 0 | 111.9 | D35 R37 A43 | D35-L39 WeakPolarHBondContact O-CB 3.35Å; D35-L39 WeakPolarHBondContact O-CD1 3.14Å; D35-L39 VanDerWaalsContact O-CG 3.23Å; D35-L39 WeakPolarHBondContact O-CG 3.39Å; D35-L39 PolarHBondContact O-N 3.11Å; R37-L39 VanDerWaalsContact C-N 3.34Å; R37-L39 PolarHBondContact O-N 3.45Å; L39-A43 WeakPolarHBondContact O-CB 3.39Å; L39-A43 PolarHBondContact O-N 3.2Å |
| 40 | Q | 58.5 | Low | 50.7 | Low | 124 Ų | 124 | 116.7 Ų | 116.7 | 58% | 0.579 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -73.6 | -37.2 | 174.7 | -74.7 | 169.8 | -6.7 | 0 | 0 | 112.7 | A36 R37 A44 | A36-Q40 WeakPolarHBondContact O-CB 3.37Å; A36-Q40 WeakPolarHBondContact O-CG 3.1Å; A36-Q40 PolarHBondContact O-N 3.07Å; A36-Q40 VanDerWaalsContact O-N 3.16Å; R37-Q40 CarbonylContact O-C 3.51Å; R37-Q40 PolarHBondContact O-N 3.4Å; Q40-A44 WeakPolarHBondContact O-CB 3.21Å; Q40-A44 PolarHBondContact O-N 2.76Å |
| 41 | D | 54.4 | Low | 51 | Low | 95 Ų | 95 | 112.7 Ų | 112.7 | 51% | 0.508 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -75.9 | -29.8 | 176.3 | -67.3 | -30.4 | 0 | 0 | 0 | 111.5 | R37 K45 | R37-D41 WeakPolarHBondContact O-CB 3.33Å; R37-D41 PolarHBondContact O-N 2.76Å; D41-K45 VanDerWaalsContact O-CB 3.23Å; D41-K45 WeakPolarHBondContact O-CB 3.34Å; D41-K45 WeakPolarHBondContact O-CG 3.23Å; D41-K45 PolarHBondContact O-N 3.47Å |
| 42 | A | 56.3 | Low | 51 | Low | 43 Ų | 43 | 116.5 Ų | 116.5 | 36% | 0.355 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -75.8 | -39.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q38 K45 Q46 | Q38-A42 WeakPolarHBondContact O-CB 3.31Å; Q38-A42 PolarHBondContact O-N 3.47Å; A42-K45 PolarHBondContact O-N 2.79Å; A42-Q46 VanDerWaalsContact O-CB 3.28Å; A42-Q46 WeakPolarHBondContact O-CB 3.31Å; A42-Q46 WeakPolarHBondContact O-CG 3.27Å; A42-Q46 PolarHBondContact O-N 3.27Å |
| 43 | A | 56.4 | Low | 50.5 | Low | 40 Ų | 40 | 113 Ų | 113 | 33% | 0.331 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.4 | -40.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L39 Q46 E47 | L39-A43 WeakPolarHBondContact O-CB 3.39Å; L39-A43 PolarHBondContact O-N 3.2Å; A43-Q46 CarbonylContact O-C 3.55Å; A43-Q46 PolarHBondContact O-N 2.88Å; A43-E47 WeakPolarHBondContact O-CB 3.26Å; A43-E47 VanDerWaalsContact O-CG 3.31Å; A43-E47 WeakPolarHBondContact O-CG 3.18Å; A43-E47 PolarHBondContact O-N 2.84Å |
| 44 | A | 55.6 | Low | 50 | Low | 41 Ų | 41 | 109.3 Ų | 109.3 | 34% | 0.339 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.1 | -37.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q40 E47 D48 | Q40-A44 WeakPolarHBondContact O-CB 3.21Å; Q40-A44 PolarHBondContact O-N 2.76Å; A44-E47 PolarHBondContact O-N 3.44Å; A44-D48 WeakPolarHBondContact O-CB 3.27Å; A44-D48 VanDerWaalsContact O-CG 3.3Å; A44-D48 PolarHBondContact O-N 3.42Å |
| 45 | K | 51.3 | Low | 49.6 | Very low | 149 Ų | 149 | 110.3 Ų | 110.3 | 65% | 0.648 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.1 | -34.1 | 171 | -81.4 | 175.5 | 178.2 | 177.3 | 0 | 112.9 | D41 A42 E49 | D41-K45 VanDerWaalsContact O-CB 3.23Å; D41-K45 WeakPolarHBondContact O-CB 3.34Å; D41-K45 WeakPolarHBondContact O-CG 3.23Å; D41-K45 PolarHBondContact O-N 3.47Å; A42-K45 PolarHBondContact O-N 2.79Å; K45-E49 WeakPolarHBondContact O-CB 3.5Å; K45-E49 WeakPolarHBondContact O-CG 3.47Å; K45-E49 PolarHBondContact O-N 3.48Å |
| 46 | Q | 50.5 | Low | 49.6 | Very low | 129 Ų | 129 | 109.8 Ų | 109.8 | 60% | 0.603 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -71.5 | -36.2 | 174 | -77.5 | 176.6 | -17.6 | 0 | 0 | 111.5 | A42 A43 E50 | A42-Q46 VanDerWaalsContact O-CB 3.28Å; A42-Q46 WeakPolarHBondContact O-CB 3.31Å; A42-Q46 WeakPolarHBondContact O-CG 3.27Å; A42-Q46 PolarHBondContact O-N 3.27Å; A43-Q46 CarbonylContact O-C 3.55Å; A43-Q46 PolarHBondContact O-N 2.88Å; Q46-E50 VanDerWaalsContact O-CB 3.28Å; Q46-E50 WeakPolarHBondContact O-CB 3.44Å; Q46-E50 PolarHBondContact O-N 3.18Å |
| 47 | E | 48.4 | Very low | 49.6 | Very low | 109 Ų | 109 | 114.8 Ų | 114.8 | 51% | 0.509 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.9 | -34.8 | 173.1 | -74.7 | 179.9 | -161 | 0 | 0 | 112.5 | A43 A44 K51 | A43-E47 WeakPolarHBondContact O-CB 3.26Å; A43-E47 VanDerWaalsContact O-CG 3.31Å; A43-E47 WeakPolarHBondContact O-CG 3.18Å; A43-E47 PolarHBondContact O-N 2.84Å; A44-E47 PolarHBondContact O-N 3.44Å; E47-K51 VanDerWaalsContact O-CB 3.29Å; E47-K51 WeakPolarHBondContact O-CB 3.15Å; E47-K51 WeakPolarHBondContact O-CG 3.32Å; E47-K51 PolarHBondContact O-N 3.44Å |
| 48 | D | 47.5 | Very low | 50.3 | Low | 98 Ų | 98 | 111.7 Ų | 111.7 | 52% | 0.524 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -75.5 | -30.9 | 175.5 | -76.2 | -24.4 | 0 | 0 | 0 | 112.7 | A44 K52 | A44-D48 WeakPolarHBondContact O-CB 3.27Å; A44-D48 VanDerWaalsContact O-CG 3.3Å; A44-D48 PolarHBondContact O-N 3.42Å; D48-K52 WeakPolarHBondContact O-CG 3.29Å; D48-K52 PolarHBondContact O-N 3.06Å |
| 49 | E | 47.3 | Very low | 51.9 | Low | 145 Ų | 145 | 116.7 Ų | 116.7 | 68% | 0.678 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -78.6 | -35.6 | 171 | -74.7 | -165.8 | 169.2 | 0 | 0 | 112.3 | K45 K52 A53 | K45-E49 WeakPolarHBondContact O-CB 3.5Å; K45-E49 WeakPolarHBondContact O-CG 3.47Å; K45-E49 PolarHBondContact O-N 3.48Å; E49-K52 CarbonylContact O-C 3.56Å; E49-K52 WeakPolarHBondContact O-CA 3.31Å; E49-K52 PolarHBondContact O-N 2.98Å; E49-K52 VanDerWaalsContact O-N 3.13Å; E49-A53 WeakPolarHBondContact O-CB 3.21Å; E49-A53 PolarHBondContact O-N 2.84Å |
| 50 | E | 43.6 | Very low | 53.5 | Low | 150 Ų | 150 | 119.3 Ų | 119.3 | 70% | 0.701 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.9 | -35 | 172.1 | -86.7 | -174 | 144.6 | 0 | 0 | 112.4 | Q46 K52 A53 | Q46-E50 VanDerWaalsContact O-CB 3.28Å; Q46-E50 WeakPolarHBondContact O-CB 3.44Å; Q46-E50 PolarHBondContact O-N 3.18Å; E50-K52 PolarHBondContact O-N 3.3Å; E50-A53 PolarHBondContact O-N 3.19Å |
| 51 | K | 46.3 | Very low | 55.1 | Low | 156 Ų | 156 | 116.6 Ų | 116.6 | 68% | 0.678 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -21.6 | 169.8 | -76.5 | 171.3 | -173.3 | 160.8 | 0 | 112.9 | E47 | E47-K51 VanDerWaalsContact O-CB 3.29Å; E47-K51 WeakPolarHBondContact O-CB 3.15Å; E47-K51 WeakPolarHBondContact O-CG 3.32Å; E47-K51 PolarHBondContact O-N 3.44Å |
| 52 | K | 42.5 | Very low | 56.9 | Low | 187 Ų | 187 | 119.6 Ų | 119.6 | 81% | 0.813 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -11.3 | 171.4 | -81.6 | 178.1 | 177 | 173.3 | 0 | 113.9 | D48 E49 E50 | D48-K52 WeakPolarHBondContact O-CG 3.29Å; D48-K52 PolarHBondContact O-N 3.06Å; E49-K52 CarbonylContact O-C 3.56Å; E49-K52 WeakPolarHBondContact O-CA 3.31Å; E49-K52 PolarHBondContact O-N 2.98Å; E49-K52 VanDerWaalsContact O-N 3.13Å; E50-K52 PolarHBondContact O-N 3.3Å |
| 53 | A | 39 | Very low | 58.6 | Low | 70 Ų | 70 | 126.6 Ų | 126.6 | 58% | 0.579 | 64% | 0.644 | S | S | * | * | trans | -115.8 | 29.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E49 E50 P55 | E49-A53 WeakPolarHBondContact O-CB 3.21Å; E49-A53 PolarHBondContact O-N 2.84Å; E50-A53 PolarHBondContact O-N 3.19Å; A53-P55 VanDerWaalsContact O-CD 3.23Å; A53-P55 WeakPolarHBondContact O-CD 3.42Å | ||
| 54 | A | 37.5 | Very low | 60.2 | Low | 72 Ų | 72 | 128.6 Ų | 128.6 | 60% | 0.595 | 65% | 0.654 | S | S | * | * | trans | -75.2 | 116.2 | 154 | 0 | 0 | 0 | 0 | 0 | 107.5 | S56 | A54-S56 PolarHBondContact O-N 2.88Š| ||
| 55 | P | 44.4 | Very low | 62 | Low | 102 Ų | 102 | 128.3 Ų | 128.3 | 66% | 0.662 | 65% | 0.648 | S | S | * | * | trans | -65.8 | 92 | 162 | 29 | -30.6 | 0 | 0 | 0 | 105.4 | A53 H57 | A53-P55 VanDerWaalsContact O-CD 3.23Å; A53-P55 WeakPolarHBondContact O-CD 3.42Å; P55-H57 PolarHBondContact O-N 3.18Å | ||
| 56 | S | 47.7 | Very low | 63.9 | Low | 95 Ų | 95 | 126.5 Ų | 126.5 | 66% | 0.664 | 65% | 0.645 | S | S | * | * | trans | -71.3 | 72.2 | 172.6 | 60.6 | 0 | 0 | 0 | 0 | 107.3 | A54 T58 | A54-S56 PolarHBondContact O-N 2.88Å; S56-T58 PolarHBondContact O-N 3.15Å | ||
| 57 | H | 52.8 | Low | 65.6 | Low | 170 Ų | 170 | 125 Ų | 125 | 79% | 0.787 | 65% | 0.646 | S | S | * | * | trans | -63 | 78.9 | 154.8 | -65.1 | -63.7 | 0 | 0 | 0 | 105.5 | P55 R59 | P55-H57 PolarHBondContact O-N 3.18Å; H57-R59 VanDerWaalsContact C-N 3.26Å; H57-R59 PolarHBondContact O-N 2.97Å | ||
| 58 | T | 69.8 | Low | 67.4 | Low | 117 Ų | 117 | 123.8 Ų | 123.8 | 72% | 0.718 | 66% | 0.663 | S | S | * | * | trans | -57.2 | 103.3 | 164.5 | 44 | 0 | 0 | 0 | 0 | 104.2 | S56 F60 | S56-T58 PolarHBondContact O-N 3.15Å; T58-F60 PolarHBondContact O-N 3.24Å; T58-F60 VanDerWaalsContact O-N 3.15Å | ||
| 59 | R | 86.8 | Confident | 69.4 | Low | 233 Ų | 233 | 125.8 Ų | 125.8 | 88% | 0.879 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -55 | 124.5 | -178.5 | -178.8 | 176.9 | 179.8 | 167.4 | 0.4 | 106.9 | H57 S61 | H57-R59 VanDerWaalsContact C-N 3.26Å; H57-R59 PolarHBondContact O-N 2.97Å; R59-S61 PolarHBondContact O-N 2.69Å; R59-S61 VanDerWaalsContact O-N 3.11Å |
| 60 | F | 87.8 | Confident | 71.3 | Confident | 180 Ų | 180 | 127.4 Ų | 127.4 | 79% | 0.789 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 121.6 | 177.3 | 176.4 | -95.9 | 0 | 0 | 0 | 109.6 | T58 I62 | T58-F60 PolarHBondContact O-N 3.24Å; T58-F60 VanDerWaalsContact O-N 3.15Å; F60-I62 HydrophobicContact CE1-CG1 4.24Å |
| 61 | S | 90.4 | Very high | 73.4 | Confident | 68 Ų | 68 | 121.9 Ų | 121.9 | 48% | 0.476 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -98.1 | 137.6 | 176.2 | -179.1 | 0 | 0 | 0 | 0 | 109.4 | R59 Y63 | R59-S61 PolarHBondContact O-N 2.69Å; R59-S61 VanDerWaalsContact O-N 3.11Å; S61-Y63 VanDerWaalsContact C-N 3.29Å; S61-Y63 PolarHBondContact OG-N 3.5Å |
| 62 | I | 92.3 | Very high | 75.4 | Confident | 157 Ų | 157 | 119.8 Ų | 119.8 | 81% | 0.805 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -79.2 | -19.8 | 175.8 | -58.8 | 170.7 | 0 | 0 | 0 | 110.7 | F60 | F60-I62 HydrophobicContact CE1-CG1 4.24Š|
| 63 | Y | 91.7 | Very high | 77.7 | Confident | 190 Ų | 190 | 115.3 Ų | 115.3 | 75% | 0.745 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -75.2 | 144.3 | -178.4 | -61.1 | -72 | 0 | 0 | 0 | 111.5 | S61 | S61-Y63 VanDerWaalsContact C-N 3.29Å; S61-Y63 PolarHBondContact OG-N 3.5Å |
| 64 | P | 91.5 | Very high | 80.3 | Confident | 83 Ų | 83 | 118 Ų | 118 | 54% | 0.539 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -66.6 | 152.9 | 176.6 | 29.9 | -35 | 0 | 0 | 0 | 111 | I66 F80 | P64-I66 PolarHBondContact O-N 3.41Å; P64-F80 HydrophobicContact CB-CE1 4.02Å; P64-F80 HydrophobicContact CB-CZ 4.02Å |
| 65 | P | 92.1 | Very high | 83.1 | Confident | 34 Ų | 34 | 116.8 Ų | 116.8 | 22% | 0.221 | 62% | 0.62 | C | S | . | * | P | Polyproline II helix | trans | -63.2 | 136.9 | 172.4 | 27.4 | -33.1 | 0 | 0 | 0 | 110.3 | F80 | P65-F80 HydrophobicContact CG-CB 3.48Å; P65-F80 VanDerWaalsContact CG-CB 3.48Å; P65-F80 HydrophobicContact CG-CD1 3.85Å; P65-F80 HydrophobicContact CG-CD2 4.17Å; P65-F80 HydrophobicContact CG-CG 3.58Å |
| 66 | I | 91.1 | Very high | 85.4 | Confident | 111 Ų | 111 | 115.5 Ų | 115.5 | 57% | 0.569 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 132.6 | -178 | -56.4 | 172 | 0 | 0 | 0 | 108.5 | P64 G68 E69 | P64-I66 PolarHBondContact O-N 3.41Å; I66-G68 PolarHBondContact O-N 3.13Å; I66-E69 PolarHBondContact O-N 3.37Å |
| 67 | P | 87.8 | Confident | 87.6 | Confident | 98 Ų | 98 | 113.9 Ų | 113.9 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 134.4 | 174.5 | 27.4 | -34.3 | 0 | 0 | 0 | 110.6 | E81 | P67-E81 WeakPolarHBondContact CA-OE1 3.07Å; P67-E81 VanDerWaalsContact CB-OE1 3.31Å; P67-E81 WeakPolarHBondContact CB-OE1 3.19Å |
| 68 | G | 85.2 | Confident | 89.5 | Confident | 84 Ų | 84 | 110.5 Ų | 110.5 | 87% | 0.866 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.2 | -18.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | I66 | I66-G68 PolarHBondContact O-N 3.13Š|
| 69 | E | 89 | Confident | 90.7 | Very high | 140 Ų | 140 | 108.8 Ų | 108.8 | 65% | 0.654 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -94.7 | 132.5 | 167.9 | -168.7 | 173.6 | 178.8 | 0 | 0 | 109.3 | I66 S71 | I66-E69 PolarHBondContact O-N 3.37Å; E69-S71 PolarHBondContact O-N 3.31Å; E69-S71 VanDerWaalsContact O-N 3.11Å |
| 70 | E | 87.5 | Confident | 91.1 | Very high | 178 Ų | 178 | 99 Ų | 99 | 83% | 0.832 | 55% | 0.545 | S | S | * | . | trans | -72.5 | 109.8 | -177.4 | -67.5 | -153.4 | 148.3 | 0 | 0 | 111.5 | ||||
| 71 | S | 88.1 | Confident | 91.4 | Very high | 34 Ų | 34 | 95.1 Ų | 95.1 | 24% | 0.238 | 53% | 0.529 | C | S | . | . | trans | -88.3 | 136.6 | 171.6 | 70.2 | 0 | 0 | 0 | 0 | 111.9 | E69 L73 | E69-S71 PolarHBondContact O-N 3.31Å; E69-S71 VanDerWaalsContact O-N 3.11Å; S71-L73 VanDerWaalsContact C-N 3.26Å; S71-L73 PolarHBondContact O-N 2.93Å | ||
| 72 | S | 89.3 | Confident | 91.7 | Very high | 113 Ų | 113 | 96.5 Ų | 96.5 | 79% | 0.79 | 53% | 0.528 | S | S | * | . | trans | -73 | -15.9 | 171.9 | 57.9 | 0 | 0 | 0 | 0 | 113.8 | R74 | S72-R74 PolarHBondContact O-N 2.91Š| ||
| 73 | L | 91.1 | Very high | 91.9 | Very high | 92 Ų | 92 | 89.1 Ų | 89.1 | 48% | 0.482 | 49% | 0.49 | S | S | . | . | trans | -66.9 | 126.1 | -179.6 | -66.4 | 169.7 | 0 | 0 | 0 | 111.6 | S71 W75 | S71-L73 VanDerWaalsContact C-N 3.26Å; S71-L73 PolarHBondContact O-N 2.93Å; L73-W75 HydrophobicContact CB-CH2 3.73Å; L73-W75 HydrophobicContact CB-CZ2 4.2Å; L73-W75 HydrophobicContact CB-CZ3 4.02Å; L73-W75 HydrophobicContact CD1-CH2 4.23Å; L73-W75 HydrophobicContact CD1-CZ2 4.5Å | ||
| 74 | R | 92.9 | Very high | 92.2 | Very high | 126 Ų | 126 | 80.7 Ų | 80.7 | 48% | 0.475 | 46% | 0.459 | S | S | . | . | trans | -135.8 | 140.3 | 178.2 | -60.1 | -63.8 | 171.5 | 131.8 | 2.4 | 110.4 | S72 K78 | S72-R74 PolarHBondContact O-N 2.91Å; R74-K78 WeakPolarHBondContact CA-O 3.34Å | ||
| 75 | W | 95 | Very high | 92.5 | Very high | 48 Ų | 48 | 78 Ų | 78 | 18% | 0.182 | 44% | 0.44 | C | S | . | . | B | Isolated β-bridge | trans | -124.4 | 114.6 | 177.1 | -60.8 | -90.4 | 0 | 0 | 0 | 108.8 | L73 G77 K78 F80 I83 H146 I173 | L73-W75 HydrophobicContact CB-CH2 3.73Å; L73-W75 HydrophobicContact CB-CZ2 4.2Å; L73-W75 HydrophobicContact CB-CZ3 4.02Å; L73-W75 HydrophobicContact CD1-CH2 4.23Å; L73-W75 HydrophobicContact CD1-CZ2 4.5Å; W75-G77 PolarHBondContact O-N 3.43Å; W75-K78 PolarHBondContact N-O 2.82Å; W75-K78 VanDerWaalsContact N-O 3.15Å; W75-K78 WeakPolarHBondContact O-CB 3.28Å; W75-K78 PolarHBondContact O-N 2.78Å; W75-F80 HydrophobicContact CH2-CB 4.21Å; W75-F80 AromaticContact CH2-CD2 3.73Å; W75-F80 HydrophobicContact CH2-CD2 3.73Å; W75-F80 HydrophobicContact CH2-CG 4.41Å; W75-F80 HydrophobicContact CZ3-CB 3.68Å; W75-F80 AromaticContact CZ3-CD2 3.85Å; W75-F80 HydrophobicContact CZ3-CD2 3.85Å; W75-F80 HydrophobicContact CZ3-CG 4.26Å; W75-I83 HydrophobicContact CB-CD1 3.94Å; W75-I83 HydrophobicContact CD2-CD1 3.75Å; W75-I83 HydrophobicContact CE3-CD1 3.4Å; W75-I83 HydrophobicContact CG-CD1 4.04Å; W75-I83 HydrophobicContact CZ3-CD1 4.09Å; W75-H146 AromaticContact CD1-CD2 3.98Å; W75-I173 HydrophobicContact CB-CD1 3.79Å; W75-I173 HydrophobicContact CD2-CD1 3.66Å; W75-I173 HydrophobicContact CD2-CG1 4.44Å; W75-I173 HydrophobicContact CD2-CG2 4.24Å; W75-I173 VanDerWaalsContact CE2-CG2 3.45Å; W75-I173 HydrophobicContact CE3-CD1 4.47Å; W75-I173 HydrophobicContact CG-CD1 3.33Å; W75-I173 HydrophobicContact CG-CG1 4.14Å; W75-I173 HydrophobicContact CH2-CG2 4.17Å; W75-I173 HydrophobicContact CZ2-CG2 3.4Å |
| 76 | A | 93.4 | Very high | 92.8 | Very high | 74 Ų | 74 | 76.4 Ų | 76.4 | 61% | 0.612 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 40.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K78 | A76-K78 PolarHBondContact O-N 3.24Š|
| 77 | G | 93.4 | Very high | 93.2 | Very high | 61 Ų | 61 | 74.6 Ų | 74.6 | 63% | 0.629 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | -7.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | W75 | W75-G77 PolarHBondContact O-N 3.43Š|
| 78 | K | 94.3 | Very high | 93.7 | Very high | 99 Ų | 99 | 70 Ų | 70 | 43% | 0.43 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -88.6 | 148.7 | -177.7 | -60.9 | -178.9 | -178.8 | -179.9 | 0 | 112.3 | R74 W75 A76 E82 | R74-K78 WeakPolarHBondContact CA-O 3.34Å; W75-K78 PolarHBondContact N-O 2.82Å; W75-K78 VanDerWaalsContact N-O 3.15Å; W75-K78 WeakPolarHBondContact O-CB 3.28Å; W75-K78 PolarHBondContact O-N 2.78Å; A76-K78 PolarHBondContact O-N 3.24Å; K78-E82 WeakPolarHBondContact CA-OE2 3.39Å; K78-E82 HydrophobicContact CB-CB 4.29Å |
| 79 | K | 94.7 | Very high | 94.3 | Very high | 81 Ų | 81 | 71.1 Ų | 71.1 | 35% | 0.352 | 37% | 0.37 | S | S | . | . | trans | -71.9 | 159.5 | 169.7 | -66.4 | -177.5 | 178.1 | -175.2 | 0 | 110.4 | E81 E82 I83 | K79-E81 PolarHBondContact O-N 2.95Å; K79-E82 HydrophobicContact CB-CG 4.3Å; K79-E82 PolarHBondContact N-OE2 2.87Å; K79-E82 PolarHBondContact O-N 3.45Å; K79-I83 WeakPolarHBondContact O-CG1 3.23Å | ||
| 80 | F | 95.3 | Very high | 94.8 | Very high | 28 Ų | 28 | 64.6 Ų | 64.6 | 12% | 0.123 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -53.9 | -38.3 | 177.6 | -175.5 | -108.3 | 0 | 0 | 0 | 113.5 | P64 P65 W75 E82 I83 R148 I173 | P64-F80 HydrophobicContact CB-CE1 4.02Å; P64-F80 HydrophobicContact CB-CZ 4.02Å; P65-F80 HydrophobicContact CG-CB 3.48Å; P65-F80 VanDerWaalsContact CG-CB 3.48Å; P65-F80 HydrophobicContact CG-CD1 3.85Å; P65-F80 HydrophobicContact CG-CD2 4.17Å; P65-F80 HydrophobicContact CG-CG 3.58Å; W75-F80 HydrophobicContact CH2-CB 4.21Å; W75-F80 AromaticContact CH2-CD2 3.73Å; W75-F80 HydrophobicContact CH2-CD2 3.73Å; W75-F80 HydrophobicContact CH2-CG 4.41Å; W75-F80 HydrophobicContact CZ3-CB 3.68Å; W75-F80 AromaticContact CZ3-CD2 3.85Å; W75-F80 HydrophobicContact CZ3-CD2 3.85Å; W75-F80 HydrophobicContact CZ3-CG 4.26Å; F80-E82 VanDerWaalsContact C-N 3.35Å; F80-E82 PolarHBondContact O-N 2.83Å; F80-I83 PolarHBondContact O-N 3.39Å; F80-R148 HydrophobicContact CE2-CG 3.98Å; F80-R148 VanDerWaalsContact CZ-CD 3.44Å; F80-R148 HydrophobicContact CZ-CG 4.19Å; F80-R148 WeakPolarHBondContact O-CD 3.39Å; F80-R148 VanDerWaalsContact O-CZ 3.24Å; F80-R148 PolarHBondContact O-NE 3.14Å; F80-R148 PolarHBondContact O-NH1 3.02Å; F80-I173 HydrophobicContact CE2-CG2 4.33Å |
| 81 | E | 94.4 | Very high | 95.2 | Very high | 98 Ų | 98 | 58.8 Ų | 58.8 | 46% | 0.458 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -67.3 | -34.2 | -177 | -65.1 | 166.5 | 178.1 | 0 | 0 | 112.9 | P67 K79 I83 A102 R148 | P67-E81 WeakPolarHBondContact CA-OE1 3.07Å; P67-E81 VanDerWaalsContact CB-OE1 3.31Å; P67-E81 WeakPolarHBondContact CB-OE1 3.19Å; K79-E81 PolarHBondContact O-N 2.95Å; E81-I83 VanDerWaalsContact C-N 3.27Å; E81-I83 PolarHBondContact O-N 2.78Å; E81-A102 VanDerWaalsContact O-CB 3.27Å; E81-A102 WeakPolarHBondContact O-CB 3.47Å; E81-R148 PolarHBondContact O-NH2 3.44Å |
| 82 | E | 95.6 | Very high | 95.7 | Very high | 97 Ų | 97 | 65 Ų | 65 | 45% | 0.453 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -78.7 | -12.5 | -176.8 | -64.6 | 166.2 | -170.7 | 0 | 0 | 112.7 | K78 K79 F80 | K78-E82 WeakPolarHBondContact CA-OE2 3.39Å; K78-E82 HydrophobicContact CB-CB 4.29Å; K79-E82 HydrophobicContact CB-CG 4.3Å; K79-E82 PolarHBondContact N-OE2 2.87Å; K79-E82 PolarHBondContact O-N 3.45Å; F80-E82 VanDerWaalsContact C-N 3.35Å; F80-E82 PolarHBondContact O-N 2.83Å |
| 83 | I | 97.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -72.2 | 132.1 | -176.4 | -62 | 174.2 | 0 | 0 | 0 | 109.5 | W75 K79 F80 E81 H146 R148 I173 | W75-I83 HydrophobicContact CB-CD1 3.94Å; W75-I83 HydrophobicContact CD2-CD1 3.75Å; W75-I83 HydrophobicContact CE3-CD1 3.4Å; W75-I83 HydrophobicContact CG-CD1 4.04Å; W75-I83 HydrophobicContact CZ3-CD1 4.09Å; K79-I83 WeakPolarHBondContact O-CG1 3.23Å; F80-I83 PolarHBondContact O-N 3.39Å; E81-I83 VanDerWaalsContact C-N 3.27Å; E81-I83 PolarHBondContact O-N 2.78Å; I83-H146 HydrophobicContact CG2-CB 4.29Å; I83-H146 WeakPolarHBondContact CG2-O 3.41Å; I83-R148 HydrophobicContact CB-CG 4.14Å; I83-R148 HydrophobicContact CG2-CG 3.86Å; I83-R148 PolarHBondContact O-NE 3.25Å; I83-R148 PolarHBondContact O-NH2 3.4Å; I83-I173 HydrophobicContact CD1-CD1 3.37Å; I83-I173 HydrophobicContact CG1-CD1 4.48Å; I83-I173 HydrophobicContact CG2-CD1 4.13Å |
| 84 | P | 98 | Very high | 96.4 | Very high | 13 Ų | 13 | 62.5 Ų | 62.5 | 8% | 0.084 | 32% | 0.316 | C | S | . | . | trans | -62.6 | 153.7 | 179.5 | 24.5 | -31.8 | 0 | 0 | 0 | 111.9 | V100 L107 V144 H146 I147 R148 | P84-V100 CarbonylContact C-O 3.52Å; P84-V100 VanDerWaalsContact CA-O 3.27Å; P84-V100 WeakPolarHBondContact CA-O 3.48Å; P84-V100 WeakPolarHBondContact CB-O 3.46Å; P84-L107 HydrophobicContact CB-CD1 4.28Å; P84-V144 HydrophobicContact CB-CG1 4.47Å; P84-V144 HydrophobicContact CG-CG1 3.52Å; P84-V144 HydrophobicContact CG-CG2 4.3Å; P84-H146 WeakPolarHBondContact CD-O 3.48Å; P84-H146 VanDerWaalsContact CG-O 3.29Å; P84-H146 WeakPolarHBondContact CG-O 3.41Å; P84-I147 HydrophobicContact CG-CG2 4.32Å; P84-I147 WeakPolarHBondContact O-CA 3.06Å; P84-R148 PolarHBondContact O-N 2.8Å | ||
| 85 | I | 98.3 | Very high | 96.7 | Very high | 28 Ų | 28 | 56.5 Ų | 56.5 | 14% | 0.144 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 129 | -173.5 | -53.9 | 171.9 | 0 | 0 | 0 | 109 | V99 V100 R148 V150 | I85-V99 CarbonylContact O-C 3.46Å; I85-V99 WeakPolarHBondContact O-CA 3.4Å; I85-V100 PolarHBondContact N-O 2.82Å; I85-V100 PolarHBondContact O-N 2.76Å; I85-R148 CarbonylContact C-O 3.43Å; I85-R148 VanDerWaalsContact CA-O 3.32Å; I85-R148 WeakPolarHBondContact CA-O 3.32Å; I85-V150 HydrophobicContact CG2-CB 4.25Å; I85-V150 HydrophobicContact CG2-CG2 3.58Å |
| 86 | A | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 101.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | I88 V99 I147 R148 V149 V150 L165 | A86-I88 PolarHBondContact O-N 3.44Å; A86-V99 HydrophobicContact CB-CG2 4.34Å; A86-I147 HydrophobicContact CB-CB 4.34Å; A86-I147 HydrophobicContact CB-CD1 3.78Å; A86-R148 PolarHBondContact N-O 2.91Å; A86-V149 HydrophobicContact CB-CG2 4.36Å; A86-V150 PolarHBondContact O-N 3.06Å; A86-L165 HydrophobicContact CB-CD1 4.16Å |
| 87 | H | 98.6 | Very high | 97.1 | Very high | 72 Ų | 72 | 54.2 Ų | 54.2 | 33% | 0.333 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 116.4 | 174 | -67.2 | -72.2 | 0 | 0 | 0 | 110.6 | I97 Q98 V150 | H87-I97 WeakPolarHBondContact O-CA 3.45Å; H87-Q98 PolarHBondContact N-O 3.48Å; H87-Q98 PolarHBondContact O-N 3.28Å; H87-V150 WeakPolarHBondContact CA-O 3.44Å |
| 88 | I | 98.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 114.4 | 177.1 | -56.2 | 178.2 | 0 | 0 | 0 | 108.6 | A86 T95 I97 V149 V150 V151 K152 A161 I162 L165 | A86-I88 PolarHBondContact O-N 3.44Å; I88-T95 HydrophobicContact CG2-CG2 4.09Å; I88-I97 HydrophobicContact CG1-CG1 4.47Å; I88-I97 HydrophobicContact CG1-CG2 4.48Å; I88-V149 HydrophobicContact CD1-CG1 3.56Å; I88-V149 HydrophobicContact CG1-CG1 4.19Å; I88-V150 PolarHBondContact N-O 3.43Å; I88-V151 CarbonylContact O-C 3.52Å; I88-V151 WeakPolarHBondContact O-CA 3.41Å; I88-K152 PolarHBondContact O-N 2.96Å; I88-A161 HydrophobicContact CD1-CB 4.14Å; I88-A161 HydrophobicContact CG2-CB 3.91Å; I88-I162 HydrophobicContact CD1-CG1 3.7Å; I88-L165 HydrophobicContact CD1-CD1 3.78Å; I88-L165 HydrophobicContact CG1-CD1 4.37Å |
| 89 | K | 98.4 | Very high | 97.5 | Very high | 108 Ų | 108 | 49.6 Ų | 49.6 | 47% | 0.47 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 98.8 | 171.3 | -174.3 | -179.7 | 179.2 | 179.9 | 0 | 109.5 | S91 T95 Q96 K152 | K89-S91 PolarHBondContact O-N 3.15Å; K89-T95 WeakPolarHBondContact O-CA 3.43Å; K89-Q96 HydrophobicContact CB-CB 4.35Å; K89-Q96 PolarHBondContact N-O 3.06Å; K89-Q96 PolarHBondContact O-N 2.95Å; K89-Q96 VanDerWaalsContact O-N 3.07Å; K89-K152 CarbonylContact C-O 3.58Å; K89-K152 WeakPolarHBondContact CA-O 3.47Å |
| 90 | A | 97.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 92.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110 | K152 G153 G155 R158 | A90-K152 PolarHBondContact N-O 3.43Å; A90-G153 CarbonylContact O-C 3.5Å; A90-G153 WeakPolarHBondContact O-CA 3.4Å; A90-G155 WeakPolarHBondContact O-CA 3.49Å; A90-G155 PolarHBondContact O-N 2.84Å; A90-R158 HydrophobicContact CB-CB 3.92Å |
| 91 | S | 97.6 | Very high | 97.8 | Very high | 56 Ų | 56 | 45.9 Ų | 45.9 | 39% | 0.392 | 22% | 0.223 | S | C | . | . | trans | -92.7 | 166.3 | 171.1 | -168 | 0 | 0 | 0 | 0 | 110.4 | K89 N93 N94 | K89-S91 PolarHBondContact O-N 3.15Å; S91-N93 VanDerWaalsContact C-N 3.27Å; S91-N93 PolarHBondContact O-N 3.27Å; S91-N94 CarbonylContact C-O 3.56Å; S91-N94 WeakPolarHBondContact CA-O 3.44Å; S91-N94 WeakPolarHBondContact CB-O 3.39Å; S91-N94 PolarHBondContact N-O 3.21Å; S91-N94 VanDerWaalsContact O-O 3.12Å | ||
| 92 | Y | 97.3 | Very high | 97.8 | Very high | 166 Ų | 166 | 43.1 Ų | 43.1 | 65% | 0.651 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -61.8 | -33.7 | 178.4 | -62 | -70.2 | 0 | 0 | 0 | 113.1 | ||
| 93 | N | 97.5 | Very high | 97.8 | Very high | 123 Ų | 123 | 43 Ų | 43 | 66% | 0.658 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -110.8 | -1.3 | -171.4 | -59.3 | -17.9 | 0 | 0 | 0 | 113.8 | S91 K122 | S91-N93 VanDerWaalsContact C-N 3.27Å; S91-N93 PolarHBondContact O-N 3.27Å; N93-K122 WeakPolarHBondContact O-CB 3.46Å |
| 94 | N | 97.9 | Very high | 97.7 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 15% | 0.15 | 26% | 0.258 | C | S | . | . | trans | -166.4 | 152.1 | -177.2 | -161.8 | 10 | 0 | 0 | 0 | 111 | S91 C112 | S91-N94 CarbonylContact C-O 3.56Å; S91-N94 WeakPolarHBondContact CA-O 3.44Å; S91-N94 WeakPolarHBondContact CB-O 3.39Å; S91-N94 PolarHBondContact N-O 3.21Å; S91-N94 VanDerWaalsContact O-O 3.12Å; N94-C112 WeakPolarHBondContact OD1-CB 3.36Å | ||
| 95 | T | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 127.9 | 169.6 | -50.6 | 0 | 0 | 0 | 0 | 109.2 | I88 K89 I97 S111 C112 A128 G157 A161 | I88-T95 HydrophobicContact CG2-CG2 4.09Å; K89-T95 WeakPolarHBondContact O-CA 3.43Å; T95-I97 HydrophobicContact CG2-CG1 4.49Å; T95-S111 WeakPolarHBondContact O-CA 3.46Å; T95-C112 PolarHBondContact O-N 2.82Å; T95-C112 VanDerWaalsContact O-N 3.15Å; T95-A128 HydrophobicContact CG2-CB 4.08Å; T95-G157 WeakPolarHBondContact OG1-CA 3.29Å; T95-A161 HydrophobicContact CG2-CB 4.04Å |
| 96 | Q | 98.3 | Very high | 97.6 | Very high | 72 Ų | 72 | 57 Ų | 57 | 34% | 0.336 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 135.5 | 179.3 | -59.2 | 174.8 | -0.7 | 0 | 0 | 108.7 | K89 | K89-Q96 HydrophobicContact CB-CB 4.35Å; K89-Q96 PolarHBondContact N-O 3.06Å; K89-Q96 PolarHBondContact O-N 2.95Å; K89-Q96 VanDerWaalsContact O-N 3.07Å |
| 97 | I | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128.7 | -176.9 | -55.2 | 172.2 | 0 | 0 | 0 | 107.8 | H87 I88 T95 R109 A110 A131 G132 A135 A161 L165 | H87-I97 WeakPolarHBondContact O-CA 3.45Å; I88-I97 HydrophobicContact CG1-CG1 4.47Å; I88-I97 HydrophobicContact CG1-CG2 4.48Å; T95-I97 HydrophobicContact CG2-CG1 4.49Å; I97-R109 WeakPolarHBondContact O-CA 3.44Å; I97-A110 PolarHBondContact N-O 3.1Å; I97-A110 PolarHBondContact O-N 3.24Å; I97-A131 HydrophobicContact CD1-CB 4.31Å; I97-G132 VanDerWaalsContact CD1-CA 3.44Å; I97-A135 HydrophobicContact CB-CB 4.2Å; I97-A135 HydrophobicContact CG2-CB 3.8Å; I97-A161 HydrophobicContact CD1-CB 3.78Å; I97-A161 HydrophobicContact CG1-CB 4.39Å; I97-L165 HydrophobicContact CG2-CD2 4.21Å |
| 98 | Q | 98.4 | Very high | 97.5 | Very high | 64 Ų | 64 | 55.6 Ų | 55.6 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 120 | 176.1 | -173.9 | 174.6 | -10.1 | 0 | 0 | 109.2 | H87 V100 A108 R109 | H87-Q98 PolarHBondContact N-O 3.48Å; H87-Q98 PolarHBondContact O-N 3.28Å; Q98-V100 HydrophobicContact CG-CG2 3.81Å; Q98-A108 CarbonylContact C-O 3.58Å; Q98-A108 WeakPolarHBondContact CA-O 3.46Å; Q98-R109 VanDerWaalsContact OE1-NH1 3.11Å |
| 99 | V | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 130.5 | 174.5 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | I85 A86 L107 A108 A139 I147 | I85-V99 CarbonylContact O-C 3.46Å; I85-V99 WeakPolarHBondContact O-CA 3.4Å; A86-V99 HydrophobicContact CB-CG2 4.34Å; V99-L107 HydrophobicContact CG1-CB 4.43Å; V99-L107 HydrophobicContact CG1-CD1 4.47Å; V99-L107 PolarHBondContact O-N 3.37Å; V99-A108 HydrophobicContact CB-CB 4.11Å; V99-A108 HydrophobicContact CG2-CB 4.24Å; V99-A108 PolarHBondContact N-O 3.34Å; V99-A108 PolarHBondContact O-N 3.19Å; V99-A108 VanDerWaalsContact O-N 3.15Å; V99-A139 HydrophobicContact CB-CB 4.43Å; V99-A139 HydrophobicContact CG1-CB 4.24Å; V99-A139 HydrophobicContact CG2-CB 4.32Å; V99-I147 HydrophobicContact CG1-CG2 4.5Å |
| 100 | V | 98.4 | Very high | 97.4 | Very high | 10 Ų | 10 | 57.9 Ų | 57.9 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 144.4 | -172.3 | -171.8 | 0 | 0 | 0 | 0 | 108.9 | P84 I85 Q98 N104 E105 | P84-V100 CarbonylContact C-O 3.52Å; P84-V100 VanDerWaalsContact CA-O 3.27Å; P84-V100 WeakPolarHBondContact CA-O 3.48Å; P84-V100 WeakPolarHBondContact CB-O 3.46Å; I85-V100 PolarHBondContact N-O 2.82Å; I85-V100 PolarHBondContact O-N 2.76Å; Q98-V100 HydrophobicContact CG-CG2 3.81Å; V100-N104 HydrophobicContact CG1-CB 4.37Å; V100-E105 CarbonylContact C-O 3.58Å; V100-E105 VanDerWaalsContact CA-O 3.26Å; V100-E105 WeakPolarHBondContact CA-O 3.46Å; V100-E105 VanDerWaalsContact CG1-O 3.31Å; V100-E105 WeakPolarHBondContact CG1-O 3.48Å |
| 101 | S | 97.4 | Very high | 97.5 | Very high | 21 Ų | 21 | 58.8 Ų | 58.8 | 15% | 0.147 | 31% | 0.31 | C | S | . | . | trans | -69 | 168.9 | 172 | 71.5 | 0 | 0 | 0 | 0 | 111.9 | S103 N104 E105 | S101-S103 PolarHBondContact O-N 3.42Å; S101-S103 PolarHBondContact OG-N 2.96Å; S101-N104 PolarHBondContact O-N 3.13Å; S101-E105 PolarHBondContact N-O 2.95Å; S101-E105 WeakPolarHBondContact OG-CB 3.21Å; S101-E105 PolarHBondContact OG-N 3.46Å; S101-E105 VanDerWaalsContact OG-N 3.07Å | ||
| 102 | A | 95.1 | Very high | 97.5 | Very high | 40 Ų | 40 | 56.1 Ų | 56.1 | 33% | 0.331 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -30.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E81 N104 | E81-A102 VanDerWaalsContact O-CB 3.27Å; E81-A102 WeakPolarHBondContact O-CB 3.47Å; A102-N104 PolarHBondContact O-N 3.13Å |
| 103 | S | 95.4 | Very high | 97.5 | Very high | 94 Ų | 94 | 50 Ų | 50 | 66% | 0.657 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 11.9 | 175.6 | -48.2 | 0 | 0 | 0 | 0 | 113.8 | S101 E105 | S101-S103 PolarHBondContact O-N 3.42Å; S101-S103 PolarHBondContact OG-N 2.96Å; S103-E105 VanDerWaalsContact C-N 3.34Å; S103-E105 PolarHBondContact O-N 3.43Å |
| 104 | N | 95.5 | Very high | 97.5 | Very high | 124 Ų | 124 | 48.4 Ų | 48.4 | 66% | 0.663 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 65.5 | 24.9 | -178.1 | -63.3 | -62.5 | 0 | 0 | 0 | 115.9 | V100 S101 A102 | V100-N104 HydrophobicContact CG1-CB 4.37Å; S101-N104 PolarHBondContact O-N 3.13Å; A102-N104 PolarHBondContact O-N 3.13Å |
| 105 | E | 97.3 | Very high | 97.5 | Very high | 121 Ų | 121 | 50.1 Ų | 50.1 | 57% | 0.565 | 28% | 0.28 | S | S | * | . | trans | -89.2 | 131.5 | 176.6 | -57.1 | 174.1 | 167.4 | 0 | 0 | 111.5 | V100 S101 S103 L107 | V100-E105 CarbonylContact C-O 3.58Å; V100-E105 VanDerWaalsContact CA-O 3.26Å; V100-E105 WeakPolarHBondContact CA-O 3.46Å; V100-E105 VanDerWaalsContact CG1-O 3.31Å; V100-E105 WeakPolarHBondContact CG1-O 3.48Å; S101-E105 PolarHBondContact N-O 2.95Å; S101-E105 WeakPolarHBondContact OG-CB 3.21Å; S101-E105 PolarHBondContact OG-N 3.46Å; S101-E105 VanDerWaalsContact OG-N 3.07Å; S103-E105 VanDerWaalsContact C-N 3.34Å; S103-E105 PolarHBondContact O-N 3.43Å; E105-L107 PolarHBondContact O-N 3.4Å | ||
| 106 | P | 97.4 | Very high | 97.4 | Very high | 91 Ų | 91 | 52.6 Ų | 52.6 | 59% | 0.591 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 117.4 | -176.9 | 29.3 | -34.1 | 0 | 0 | 0 | 112.1 | ||
| 107 | L | 96.7 | Very high | 97.4 | Very high | 37 Ų | 37 | 51.8 Ų | 51.8 | 19% | 0.194 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -51.4 | 178.7 | -60.4 | 177.6 | 0 | 0 | 0 | 111.4 | P84 V99 E105 K142 V144 | P84-L107 HydrophobicContact CB-CD1 4.28Å; V99-L107 HydrophobicContact CG1-CB 4.43Å; V99-L107 HydrophobicContact CG1-CD1 4.47Å; V99-L107 PolarHBondContact O-N 3.37Å; E105-L107 PolarHBondContact O-N 3.4Å; L107-K142 HydrophobicContact CB-CD 4.11Å; L107-K142 HydrophobicContact CD2-CD 4.19Å; L107-K142 VanDerWaalsContact O-CD 3.32Å; L107-K142 WeakPolarHBondContact O-CD 3.41Å; L107-K142 WeakPolarHBondContact O-CE 3.47Å; L107-K142 PolarHBondContact O-NZ 3.16Å; L107-V144 HydrophobicContact CD1-CG2 3.59Å |
| 108 | A | 97.4 | Very high | 97.3 | Very high | 6 Ų | 6 | 61.1 Ų | 61.1 | 5% | 0.05 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 149.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q98 V99 A135 K138 A139 | Q98-A108 CarbonylContact C-O 3.58Å; Q98-A108 WeakPolarHBondContact CA-O 3.46Å; V99-A108 HydrophobicContact CB-CB 4.11Å; V99-A108 HydrophobicContact CG2-CB 4.24Å; V99-A108 PolarHBondContact N-O 3.34Å; V99-A108 PolarHBondContact O-N 3.19Å; V99-A108 VanDerWaalsContact O-N 3.15Å; A108-A135 WeakPolarHBondContact CB-O 3.49Å; A108-K138 HydrophobicContact CB-CB 3.75Å; A108-A139 HydrophobicContact CB-CB 4.12Å |
| 109 | R | 97.6 | Very high | 97.3 | Very high | 157 Ų | 157 | 64.3 Ų | 64.3 | 59% | 0.592 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 131.9 | 173.5 | -169.5 | 179.4 | 178.3 | 105.2 | -4.4 | 109.5 | I97 Q98 K138 | I97-R109 WeakPolarHBondContact O-CA 3.44Å; Q98-R109 VanDerWaalsContact OE1-NH1 3.11Å; R109-K138 PolarHBondContact O-NZ 3.06Å |
| 110 | A | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.008 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 159 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110 | I97 A131 A134 A135 | I97-A110 PolarHBondContact N-O 3.1Å; I97-A110 PolarHBondContact O-N 3.24Å; A110-A131 WeakPolarHBondContact CB-O 3.46Å; A110-A134 HydrophobicContact CB-CB 4.43Å; A110-A135 HydrophobicContact CB-CB 3.86Å |
| 111 | S | 98.3 | Very high | 97.1 | Very high | 21 Ų | 21 | 75.5 Ų | 75.5 | 15% | 0.147 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 162.6 | 174.4 | 66.9 | 0 | 0 | 0 | 0 | 109.9 | T95 G113 T114 E115 | T95-S111 WeakPolarHBondContact O-CA 3.46Å; S111-G113 PolarHBondContact O-N 2.75Å; S111-T114 PolarHBondContact N-OG1 2.77Å; S111-T114 PolarHBondContact O-N 3.17Å; S111-T114 PolarHBondContact O-OG1 2.82Å; S111-T114 PolarHBondContact OG-N 2.75Å; S111-E115 PolarHBondContact O-N 2.9Å |
| 112 | C | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -33.3 | 176.1 | -54.2 | 0 | 0 | 0 | 0 | 112.4 | N94 T95 F117 K122 A127 | N94-C112 WeakPolarHBondContact OD1-CB 3.36Å; T95-C112 PolarHBondContact O-N 2.82Å; T95-C112 VanDerWaalsContact O-N 3.15Å; C112-F117 VanDerWaalsContact O-CB 3.31Å; C112-F117 WeakPolarHBondContact O-CB 3.33Å; C112-F117 WeakPolarHBondContact O-CD2 3.23Å; C112-F117 PolarHBondContact O-N 2.83Å; C112-F117 VanDerWaalsContact O-N 3.14Å; C112-K122 HydrophobicContact CB-CB 3.87Å; C112-K122 HydrophobicContact CB-CG 4.09Å; C112-K122 PolarHBondContact SG-O 2.81Å; C112-A127 HydrophobicContact CB-CB 3.93Å |
| 113 | G | 97.6 | Very high | 97.1 | Very high | 37 Ų | 37 | 76.1 Ų | 76.1 | 38% | 0.381 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -33.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S111 E115 G116 | S111-G113 PolarHBondContact O-N 2.75Å; G113-E115 VanDerWaalsContact C-N 3.33Å; G113-G116 PolarHBondContact O-N 3.49Å |
| 114 | T | 97.4 | Very high | 97.2 | Very high | 91 Ų | 91 | 74.3 Ų | 74.3 | 56% | 0.558 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -29.7 | 178.3 | 54.3 | 0 | 0 | 0 | 0 | 111.7 | S111 G116 | S111-T114 PolarHBondContact N-OG1 2.77Å; S111-T114 PolarHBondContact O-N 3.17Å; S111-T114 PolarHBondContact O-OG1 2.82Å; S111-T114 PolarHBondContact OG-N 2.75Å; T114-G116 PolarHBondContact O-N 2.8Å |
| 115 | E | 97.2 | Very high | 97.3 | Very high | 63 Ų | 63 | 69.5 Ų | 69.5 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 9 | 174.4 | -53 | -43.9 | 124.2 | 0 | 0 | 113.2 | S111 G113 F117 T130 A131 A134 | S111-E115 PolarHBondContact O-N 2.9Å; G113-E115 VanDerWaalsContact C-N 3.33Å; E115-F117 HydrophobicContact CB-CD2 4.07Å; E115-F117 HydrophobicContact CB-CE2 4.11Å; E115-T130 HydrophobicContact CB-CG2 4.22Å; E115-T130 HydrophobicContact CG-CG2 4.3Å; E115-A131 HydrophobicContact CG-CB 4.11Å; E115-A134 VanDerWaalsContact CD-CB 3.45Å; E115-A134 HydrophobicContact CG-CB 4.35Å; E115-A134 WeakPolarHBondContact OE1-CB 3.28Å; E115-A134 WeakPolarHBondContact OE2-CB 3.44Å |
| 116 | G | 97.4 | Very high | 97.4 | Very high | 53 Ų | 53 | 69.5 Ų | 69.5 | 55% | 0.546 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | -1.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | G113 T114 | G113-G116 PolarHBondContact O-N 3.49Å; T114-G116 PolarHBondContact O-N 2.8Å |
| 117 | F | 97.9 | Very high | 97.4 | Very high | 54 Ų | 54 | 65.1 Ų | 65.1 | 24% | 0.237 | 35% | 0.353 | C | S | . | . | trans | -71 | 135.3 | 175.2 | -61.5 | -92.6 | 0 | 0 | 0 | 110.8 | C112 E115 K121 K122 A127 T130 | C112-F117 VanDerWaalsContact O-CB 3.31Å; C112-F117 WeakPolarHBondContact O-CB 3.33Å; C112-F117 WeakPolarHBondContact O-CD2 3.23Å; C112-F117 PolarHBondContact O-N 2.83Å; C112-F117 VanDerWaalsContact O-N 3.14Å; E115-F117 HydrophobicContact CB-CD2 4.07Å; E115-F117 HydrophobicContact CB-CE2 4.11Å; F117-K121 HydrophobicContact CD1-CB 4.25Å; F117-K122 HydrophobicContact CB-CG 3.9Å; F117-K122 VanDerWaalsContact O-CD 3.31Å; F117-K122 WeakPolarHBondContact O-CD 3.4Å; F117-K122 WeakPolarHBondContact O-CG 3.43Å; F117-A127 HydrophobicContact CB-CB 4.23Å; F117-A127 HydrophobicContact CD1-CB 3.76Å; F117-A127 HydrophobicContact CD2-CB 3.67Å; F117-A127 HydrophobicContact CE1-CB 3.96Å; F117-A127 HydrophobicContact CE2-CB 3.88Å; F117-A127 HydrophobicContact CG-CB 3.6Å; F117-A127 HydrophobicContact CZ-CB 4.02Å; F117-T130 HydrophobicContact CE2-CG2 4.15Å | ||
| 118 | R | 97.1 | Very high | 97.5 | Very high | 199 Ų | 199 | 63.4 Ų | 63.4 | 75% | 0.751 | 34% | 0.344 | S | S | * | . | trans | -114.8 | 149.4 | -179.4 | -61.9 | -174.2 | -179.1 | -173.6 | 0.2 | 111.5 | S120 K121 | R118-S120 PolarHBondContact O-N 3.05Å; R118-K121 WeakPolarHBondContact O-CB 3.41Å; R118-K121 PolarHBondContact O-N 2.87Å; R118-K121 VanDerWaalsContact O-N 3.16Å | ||
| 119 | N | 96.8 | Very high | 97.5 | Very high | 130 Ų | 130 | 66.3 Ų | 66.3 | 70% | 0.695 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | 50.3 | -131.3 | 171.7 | -56.4 | -21.2 | 0 | 0 | 0 | 113.3 | K121 K122 | N119-K121 PolarHBondContact O-N 2.87Å; N119-K122 WeakPolarHBondContact O-CB 3.35Å; N119-K122 WeakPolarHBondContact O-CE 3.49Å; N119-K122 PolarHBondContact O-N 2.9Å; N119-K122 VanDerWaalsContact O-N 3.12Å |
| 120 | S | 95.8 | Very high | 97.6 | Very high | 105 Ų | 105 | 61.5 Ų | 61.5 | 73% | 0.734 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -57 | -30.3 | -178.5 | 51.2 | 0 | 0 | 0 | 0 | 113.3 | R118 K122 G123 | R118-S120 PolarHBondContact O-N 3.05Å; S120-K122 PolarHBondContact O-N 2.87Å; S120-K122 VanDerWaalsContact O-N 3.15Å; S120-G123 PolarHBondContact O-N 2.86Å |
| 121 | K | 96.9 | Very high | 97.6 | Very high | 140 Ų | 140 | 61.4 Ų | 61.4 | 61% | 0.609 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -63.2 | -22.7 | 179.6 | -58.2 | -176.1 | 178.1 | -177.6 | 0 | 112.6 | F117 R118 N119 G123 T124 A127 | F117-K121 HydrophobicContact CD1-CB 4.25Å; R118-K121 WeakPolarHBondContact O-CB 3.41Å; R118-K121 PolarHBondContact O-N 2.87Å; R118-K121 VanDerWaalsContact O-N 3.16Å; N119-K121 PolarHBondContact O-N 2.87Å; K121-G123 VanDerWaalsContact C-N 3.29Å; K121-G123 PolarHBondContact O-N 3.25Å; K121-T124 PolarHBondContact O-N 2.9Å; K121-T124 PolarHBondContact O-OG1 3.32Å; K121-A127 WeakPolarHBondContact O-CB 3.13Å |
| 122 | K | 97.7 | Very high | 97.6 | Very high | 59 Ų | 59 | 60.4 Ų | 60.4 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -68.7 | -24.8 | 175.2 | -65.3 | -174.6 | -61.5 | -172.3 | 0 | 113.9 | N93 C112 F117 N119 S120 T124 | N93-K122 WeakPolarHBondContact O-CB 3.46Å; C112-K122 HydrophobicContact CB-CB 3.87Å; C112-K122 HydrophobicContact CB-CG 4.09Å; C112-K122 PolarHBondContact SG-O 2.81Å; F117-K122 HydrophobicContact CB-CG 3.9Å; F117-K122 VanDerWaalsContact O-CD 3.31Å; F117-K122 WeakPolarHBondContact O-CD 3.4Å; F117-K122 WeakPolarHBondContact O-CG 3.43Å; N119-K122 WeakPolarHBondContact O-CB 3.35Å; N119-K122 WeakPolarHBondContact O-CE 3.49Å; N119-K122 PolarHBondContact O-N 2.9Å; N119-K122 VanDerWaalsContact O-N 3.12Å; S120-K122 PolarHBondContact O-N 2.87Å; S120-K122 VanDerWaalsContact O-N 3.15Å; K122-T124 PolarHBondContact O-N 3Å |
| 123 | G | 95.9 | Very high | 97.6 | Very high | 16 Ų | 16 | 63 Ų | 63 | 17% | 0.165 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -86.6 | 18.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S120 K121 P156 | S120-G123 PolarHBondContact O-N 2.86Å; K121-G123 VanDerWaalsContact C-N 3.29Å; K121-G123 PolarHBondContact O-N 3.25Å; G123-P156 WeakPolarHBondContact O-CG 3.37Å |
| 124 | T | 97.8 | Very high | 97.6 | Very high | 56 Ų | 56 | 62 Ų | 62 | 34% | 0.344 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -102.7 | 153.1 | -178.2 | 64.5 | 0 | 0 | 0 | 0 | 111.4 | K121 K122 I126 A127 A128 | K121-T124 PolarHBondContact O-N 2.9Å; K121-T124 PolarHBondContact O-OG1 3.32Å; K122-T124 PolarHBondContact O-N 3Å; T124-I126 VanDerWaalsContact C-N 3.31Å; T124-I126 PolarHBondContact O-N 2.85Å; T124-A127 PolarHBondContact O-N 2.93Å; T124-A127 WeakPolarHBondContact OG1-CB 3.35Å; T124-A127 PolarHBondContact OG1-N 3.28Å; T124-A128 PolarHBondContact O-N 2.81Å |
| 125 | G | 97.6 | Very high | 97.6 | Very high | 23 Ų | 23 | 57.7 Ų | 57.7 | 24% | 0.237 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A127 A128 Q129 S160 | G125-A127 PolarHBondContact O-N 3.26Å; G125-A128 WeakPolarHBondContact O-CB 3.44Å; G125-A128 PolarHBondContact O-N 2.94Å; G125-Q129 WeakPolarHBondContact O-CB 3.32Å; G125-Q129 PolarHBondContact O-N 2.87Å; G125-S160 WeakPolarHBondContact CA-OG 3.38Å; G125-S160 WeakPolarHBondContact O-CB 3.14Å |
| 126 | I | 98 | Very high | 97.7 | Very high | 120 Ų | 120 | 54.7 Ų | 54.7 | 62% | 0.615 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59.7 | -48.6 | 177.1 | -60.5 | 174.1 | 0 | 0 | 0 | 110.3 | T124 A128 Q129 T130 | T124-I126 VanDerWaalsContact C-N 3.31Å; T124-I126 PolarHBondContact O-N 2.85Å; I126-A128 VanDerWaalsContact C-N 3.28Å; I126-A128 PolarHBondContact O-N 2.88Å; I126-Q129 PolarHBondContact O-N 3.36Å; I126-T130 PolarHBondContact O-N 2.91Å; I126-T130 PolarHBondContact O-OG1 3.33Å |
| 127 | A | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.8 | -37 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | C112 F117 K121 T124 G125 A131 | C112-A127 HydrophobicContact CB-CB 3.93Å; F117-A127 HydrophobicContact CB-CB 4.23Å; F117-A127 HydrophobicContact CD1-CB 3.76Å; F117-A127 HydrophobicContact CD2-CB 3.67Å; F117-A127 HydrophobicContact CE1-CB 3.96Å; F117-A127 HydrophobicContact CE2-CB 3.88Å; F117-A127 HydrophobicContact CG-CB 3.6Å; F117-A127 HydrophobicContact CZ-CB 4.02Å; K121-A127 WeakPolarHBondContact O-CB 3.13Å; T124-A127 PolarHBondContact O-N 2.93Å; T124-A127 WeakPolarHBondContact OG1-CB 3.35Å; T124-A127 PolarHBondContact OG1-N 3.28Å; G125-A127 PolarHBondContact O-N 3.26Å; A127-A131 WeakPolarHBondContact O-CB 3.49Å; A127-A131 PolarHBondContact O-N 3.23Å |
| 128 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.4 | -39.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T95 T124 G125 I126 A131 G132 G157 A161 | T95-A128 HydrophobicContact CG2-CB 4.08Å; T124-A128 PolarHBondContact O-N 2.81Å; G125-A128 WeakPolarHBondContact O-CB 3.44Å; G125-A128 PolarHBondContact O-N 2.94Å; I126-A128 VanDerWaalsContact C-N 3.28Å; I126-A128 PolarHBondContact O-N 2.88Å; A128-A131 PolarHBondContact O-N 3.38Å; A128-G132 PolarHBondContact O-N 3.43Å; A128-G157 VanDerWaalsContact CB-CA 3.42Å; A128-A161 HydrophobicContact CB-CB 4.41Å |
| 129 | Q | 98.4 | Very high | 97.7 | Very high | 68 Ų | 68 | 46.3 Ų | 46.3 | 32% | 0.318 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 174.8 | -175.7 | -176.9 | -4.7 | 0 | 0 | 111.1 | G125 I126 A131 G132 V133 S160 M167 | G125-Q129 WeakPolarHBondContact O-CB 3.32Å; G125-Q129 PolarHBondContact O-N 2.87Å; I126-Q129 PolarHBondContact O-N 3.36Å; Q129-A131 VanDerWaalsContact C-N 3.33Å; Q129-A131 PolarHBondContact O-N 2.6Å; Q129-G132 WeakPolarHBondContact O-CA 3.35Å; Q129-G132 PolarHBondContact O-N 2.76Å; Q129-V133 WeakPolarHBondContact O-CG2 3.34Å; Q129-V133 PolarHBondContact O-N 3.36Å; Q129-S160 WeakPolarHBondContact CA-O 3.45Å; Q129-M167 HydrophobicContact CG-SD 4.21Å; Q129-M167 PolarHBondContact NE2-SD 3.15Å |
| 130 | T | 98.4 | Very high | 97.7 | Very high | 55 Ų | 55 | 43.1 Ų | 43.1 | 34% | 0.337 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.7 | -44.7 | 175.4 | -51.1 | 0 | 0 | 0 | 0 | 111.5 | E115 F117 I126 G132 V133 A134 | E115-T130 HydrophobicContact CB-CG2 4.22Å; E115-T130 HydrophobicContact CG-CG2 4.3Å; F117-T130 HydrophobicContact CE2-CG2 4.15Å; I126-T130 PolarHBondContact O-N 2.91Å; I126-T130 PolarHBondContact O-OG1 3.33Å; T130-G132 VanDerWaalsContact C-N 3.29Å; T130-G132 PolarHBondContact O-N 3.33Å; T130-V133 PolarHBondContact O-N 2.99Å; T130-A134 PolarHBondContact O-N 3.03Å |
| 131 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.9 | -35.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | I97 A110 E115 A127 A128 Q129 A135 | I97-A131 HydrophobicContact CD1-CB 4.31Å; A110-A131 WeakPolarHBondContact CB-O 3.46Å; E115-A131 HydrophobicContact CG-CB 4.11Å; A127-A131 WeakPolarHBondContact O-CB 3.49Å; A127-A131 PolarHBondContact O-N 3.23Å; A128-A131 PolarHBondContact O-N 3.38Å; Q129-A131 VanDerWaalsContact C-N 3.33Å; Q129-A131 PolarHBondContact O-N 2.6Å; A131-A135 WeakPolarHBondContact O-CB 3.45Å; A131-A135 PolarHBondContact O-N 3.43Å |
| 132 | G | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63 | -48.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I97 A128 Q129 T130 A134 A135 A136 G164 | I97-G132 VanDerWaalsContact CD1-CA 3.44Å; A128-G132 PolarHBondContact O-N 3.43Å; Q129-G132 WeakPolarHBondContact O-CA 3.35Å; Q129-G132 PolarHBondContact O-N 2.76Å; T130-G132 VanDerWaalsContact C-N 3.29Å; T130-G132 PolarHBondContact O-N 3.33Å; G132-A134 VanDerWaalsContact C-N 3.34Å; G132-A134 PolarHBondContact O-N 3.29Å; G132-A135 PolarHBondContact O-N 2.87Å; G132-A136 WeakPolarHBondContact O-CB 3.35Å; G132-A136 PolarHBondContact O-N 3.03Å; G132-G164 CarbonylContact C-O 3.5Å |
| 133 | V | 98.4 | Very high | 97.6 | Very high | 54 Ų | 54 | 45.1 Ų | 45.1 | 33% | 0.327 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 177.2 | 175 | 0 | 0 | 0 | 0 | 110.8 | Q129 T130 A136 A137 G164 M167 | Q129-V133 WeakPolarHBondContact O-CG2 3.34Å; Q129-V133 PolarHBondContact O-N 3.36Å; T130-V133 PolarHBondContact O-N 2.99Å; V133-A136 PolarHBondContact O-N 3.11Å; V133-A137 WeakPolarHBondContact O-CB 3.45Å; V133-A137 PolarHBondContact O-N 2.73Å; V133-G164 WeakPolarHBondContact CA-O 3.38Å; V133-G164 WeakPolarHBondContact CG2-O 3.42Å; V133-G164 PolarHBondContact N-O 3.04Å; V133-M167 HydrophobicContact CG2-CB 4.05Å |
| 134 | A | 98.2 | Very high | 97.6 | Very high | 17 Ų | 17 | 45 Ų | 45 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A110 E115 T130 G132 K138 | A110-A134 HydrophobicContact CB-CB 4.43Å; E115-A134 VanDerWaalsContact CD-CB 3.45Å; E115-A134 HydrophobicContact CG-CB 4.35Å; E115-A134 WeakPolarHBondContact OE1-CB 3.28Å; E115-A134 WeakPolarHBondContact OE2-CB 3.44Å; T130-A134 PolarHBondContact O-N 3.03Å; G132-A134 VanDerWaalsContact C-N 3.34Å; G132-A134 PolarHBondContact O-N 3.29Å; A134-K138 WeakPolarHBondContact O-CG 3.36Å; A134-K138 PolarHBondContact O-N 2.99Å |
| 135 | A | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I97 A108 A110 A131 G132 K138 A139 L165 | I97-A135 HydrophobicContact CB-CB 4.2Å; I97-A135 HydrophobicContact CG2-CB 3.8Å; A108-A135 WeakPolarHBondContact CB-O 3.49Å; A110-A135 HydrophobicContact CB-CB 3.86Å; A131-A135 WeakPolarHBondContact O-CB 3.45Å; A131-A135 PolarHBondContact O-N 3.43Å; G132-A135 PolarHBondContact O-N 2.87Å; A135-K138 PolarHBondContact O-N 2.86Å; A135-A139 PolarHBondContact O-N 3.07Å; A135-L165 HydrophobicContact CB-CD2 4.27Å |
| 136 | A | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.5 | -49.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | G132 V133 K138 A139 T140 L165 L170 | G132-A136 WeakPolarHBondContact O-CB 3.35Å; G132-A136 PolarHBondContact O-N 3.03Å; V133-A136 PolarHBondContact O-N 3.11Å; A136-K138 VanDerWaalsContact C-N 3.29Å; A136-K138 PolarHBondContact O-N 3.15Å; A136-A139 CarbonylContact O-C 3.58Å; A136-A139 WeakPolarHBondContact O-CA 3.43Å; A136-A139 WeakPolarHBondContact O-CB 3.47Å; A136-A139 PolarHBondContact O-N 3.04Å; A136-T140 PolarHBondContact O-N 2.84Å; A136-T140 PolarHBondContact O-OG1 2.7Å; A136-L165 HydrophobicContact CB-CD2 4.17Å; A136-L170 HydrophobicContact CB-CD1 3.78Å; A136-L170 HydrophobicContact CB-CG 3.83Å |
| 137 | A | 97.7 | Very high | 97.6 | Very high | 44 Ų | 44 | 40.6 Ų | 40.6 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -54.2 | -44.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V133 A139 T140 Q141 | V133-A137 WeakPolarHBondContact O-CB 3.45Å; V133-A137 PolarHBondContact O-N 2.73Å; A137-A139 VanDerWaalsContact C-N 3.34Å; A137-A139 PolarHBondContact O-N 3.23Å; A137-T140 PolarHBondContact O-N 3.27Å; A137-Q141 WeakPolarHBondContact O-CG 3.49Å; A137-Q141 PolarHBondContact O-N 3.14Å; A137-Q141 VanDerWaalsContact O-N 3.13Å |
| 138 | K | 97.7 | Very high | 97.5 | Very high | 85 Ų | 85 | 42.5 Ų | 42.5 | 37% | 0.37 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.9 | -34 | 176.1 | -69.8 | 173.5 | -170.8 | 174.5 | 0 | 112.9 | A108 R109 A134 A135 A136 | A108-K138 HydrophobicContact CB-CB 3.75Å; R109-K138 PolarHBondContact O-NZ 3.06Å; A134-K138 WeakPolarHBondContact O-CG 3.36Å; A134-K138 PolarHBondContact O-N 2.99Å; A135-K138 PolarHBondContact O-N 2.86Å; A136-K138 VanDerWaalsContact C-N 3.29Å; A136-K138 PolarHBondContact O-N 3.15Å |
| 139 | A | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -75.6 | -39.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V99 A108 A135 A136 A137 Q141 K142 G143 V144 L170 | V99-A139 HydrophobicContact CB-CB 4.43Å; V99-A139 HydrophobicContact CG1-CB 4.24Å; V99-A139 HydrophobicContact CG2-CB 4.32Å; A108-A139 HydrophobicContact CB-CB 4.12Å; A135-A139 PolarHBondContact O-N 3.07Å; A136-A139 CarbonylContact O-C 3.58Å; A136-A139 WeakPolarHBondContact O-CA 3.43Å; A136-A139 WeakPolarHBondContact O-CB 3.47Å; A136-A139 PolarHBondContact O-N 3.04Å; A137-A139 VanDerWaalsContact C-N 3.34Å; A137-A139 PolarHBondContact O-N 3.23Å; A139-Q141 VanDerWaalsContact C-N 3.31Å; A139-Q141 PolarHBondContact O-N 3.15Å; A139-K142 CarbonylContact O-C 3.58Å; A139-K142 WeakPolarHBondContact O-CA 3.49Å; A139-K142 WeakPolarHBondContact O-CB 3.31Å; A139-K142 PolarHBondContact O-N 3.24Å; A139-G143 PolarHBondContact O-N 2.97Å; A139-V144 HydrophobicContact CB-CB 4.12Å; A139-V144 HydrophobicContact CB-CG2 4.28Å; A139-V144 WeakPolarHBondContact O-CB 3.38Å; A139-V144 PolarHBondContact O-N 2.98Å; A139-L170 HydrophobicContact CB-CD1 4.15Å |
| 140 | T | 96.8 | Very high | 97.5 | Very high | 64 Ų | 64 | 40.4 Ų | 40.4 | 39% | 0.393 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.5 | -39.6 | 176.2 | -53.6 | 0 | 0 | 0 | 0 | 111.2 | A136 A137 K142 G143 | A136-T140 PolarHBondContact O-N 2.84Å; A136-T140 PolarHBondContact O-OG1 2.7Å; A137-T140 PolarHBondContact O-N 3.27Å; T140-K142 PolarHBondContact O-N 3.39Å; T140-K142 VanDerWaalsContact O-N 3.13Å; T140-G143 PolarHBondContact O-N 3.31Å |
| 141 | Q | 96.6 | Very high | 97.5 | Very high | 167 Ų | 167 | 37.8 Ų | 37.8 | 78% | 0.78 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -25.4 | 172.2 | -74.1 | 172.7 | -1.2 | 0 | 0 | 113.4 | A137 A139 | A137-Q141 WeakPolarHBondContact O-CG 3.49Å; A137-Q141 PolarHBondContact O-N 3.14Å; A137-Q141 VanDerWaalsContact O-N 3.13Å; A139-Q141 VanDerWaalsContact C-N 3.31Å; A139-Q141 PolarHBondContact O-N 3.15Å |
| 142 | K | 96 | Very high | 97.5 | Very high | 124 Ų | 124 | 42.5 Ų | 42.5 | 54% | 0.539 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 12.3 | 177.3 | -62.9 | -175.9 | 174.7 | -168 | 0 | 113.1 | L107 A139 T140 | L107-K142 HydrophobicContact CB-CD 4.11Å; L107-K142 HydrophobicContact CD2-CD 4.19Å; L107-K142 VanDerWaalsContact O-CD 3.32Å; L107-K142 WeakPolarHBondContact O-CD 3.41Å; L107-K142 WeakPolarHBondContact O-CE 3.47Å; L107-K142 PolarHBondContact O-NZ 3.16Å; A139-K142 CarbonylContact O-C 3.58Å; A139-K142 WeakPolarHBondContact O-CA 3.49Å; A139-K142 WeakPolarHBondContact O-CB 3.31Å; A139-K142 PolarHBondContact O-N 3.24Å; T140-K142 PolarHBondContact O-N 3.39Å; T140-K142 VanDerWaalsContact O-N 3.13Å |
| 143 | G | 95 | Very high | 97.5 | Very high | 55 Ų | 55 | 43.2 Ų | 43.2 | 57% | 0.567 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 23.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | A139 T140 | A139-G143 PolarHBondContact O-N 2.97Å; T140-G143 PolarHBondContact O-N 3.31Å |
| 144 | V | 96.8 | Very high | 97.4 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 7% | 0.073 | 25% | 0.254 | C | S | . | . | trans | -85.4 | 125.2 | 172.4 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | P84 L107 A139 I147 L170 | P84-V144 HydrophobicContact CB-CG1 4.47Å; P84-V144 HydrophobicContact CG-CG1 3.52Å; P84-V144 HydrophobicContact CG-CG2 4.3Å; L107-V144 HydrophobicContact CD1-CG2 3.59Å; A139-V144 HydrophobicContact CB-CB 4.12Å; A139-V144 HydrophobicContact CB-CG2 4.28Å; A139-V144 WeakPolarHBondContact O-CB 3.38Å; A139-V144 PolarHBondContact O-N 2.98Å; V144-I147 HydrophobicContact CG1-CG2 3.71Å; V144-L170 HydrophobicContact CB-CD2 4.21Å; V144-L170 HydrophobicContact CG1-CD2 3.9Å; V144-L170 WeakPolarHBondContact O-CD2 3.42Å | ||
| 145 | T | 96.3 | Very high | 97.4 | Very high | 79 Ų | 79 | 45.7 Ų | 45.7 | 49% | 0.485 | 25% | 0.25 | S | S | . | . | trans | -109.3 | -48.2 | 175.4 | -46.5 | 0 | 0 | 0 | 0 | 111.3 | L170 E171 | T145-L170 WeakPolarHBondContact O-CA 3.5Å; T145-E171 PolarHBondContact O-N 3.33Å | ||
| 146 | H | 97.8 | Very high | 97.3 | Very high | 29 Ų | 29 | 48.9 Ų | 48.9 | 13% | 0.134 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 146.1 | -175.6 | -54.2 | 78.5 | 0 | 0 | 0 | 111 | W75 I83 P84 E171 I173 | W75-H146 AromaticContact CD1-CD2 3.98Å; I83-H146 HydrophobicContact CG2-CB 4.29Å; I83-H146 WeakPolarHBondContact CG2-O 3.41Å; P84-H146 WeakPolarHBondContact CD-O 3.48Å; P84-H146 VanDerWaalsContact CG-O 3.29Å; P84-H146 WeakPolarHBondContact CG-O 3.41Å; H146-E171 CarbonylContact C-O 3.56Å; H146-E171 WeakPolarHBondContact CA-O 3.48Å; H146-E171 IonicContact CD2-OE2 3.51Å; H146-E171 IonicContact NE2-OE2 3.36Å; H146-E171 PolarHBondContact NE2-OE2 3.01Å; H146-I173 HydrophobicContact CB-CD1 3.49Å; H146-I173 VanDerWaalsContact CB-CD1 3.49Å; H146-I173 HydrophobicContact CB-CG1 4.23Å |
| 147 | I | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 151.5 | -179.8 | 54.7 | 166.7 | 0 | 0 | 0 | 112.8 | P84 A86 V99 V144 V149 L165 L170 E171 V172 I173 | P84-I147 HydrophobicContact CG-CG2 4.32Å; P84-I147 WeakPolarHBondContact O-CA 3.06Å; A86-I147 HydrophobicContact CB-CB 4.34Å; A86-I147 HydrophobicContact CB-CD1 3.78Å; V99-I147 HydrophobicContact CG1-CG2 4.5Å; V144-I147 HydrophobicContact CG1-CG2 3.71Å; I147-V149 HydrophobicContact CD1-CG2 3.95Å; I147-V149 HydrophobicContact CG1-CG2 4.43Å; I147-L165 HydrophobicContact CD1-CB 4.21Å; I147-L165 HydrophobicContact CD1-CD1 3.92Å; I147-L165 HydrophobicContact CD1-CG 4.47Å; I147-L170 HydrophobicContact CD1-CB 4.04Å; I147-L170 HydrophobicContact CD1-CD1 3.97Å; I147-L170 HydrophobicContact CG1-CB 4.22Å; I147-L170 HydrophobicContact CG2-CD1 4.04Å; I147-E171 WeakPolarHBondContact CG1-O 3.48Å; I147-E171 PolarHBondContact N-O 3.19Å; I147-V172 HydrophobicContact CD1-CG2 4.07Å; I147-V172 HydrophobicContact CG1-CG2 4.19Å; I147-I173 PolarHBondContact O-N 3.37Å |
| 148 | R | 97.9 | Very high | 97.2 | Very high | 39 Ų | 39 | 49.3 Ų | 49.3 | 15% | 0.147 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 120.5 | 164.5 | -61.3 | -178.9 | -69.6 | 170.1 | -6.5 | 108.6 | F80 E81 I83 P84 I85 A86 S174 | F80-R148 HydrophobicContact CE2-CG 3.98Å; F80-R148 VanDerWaalsContact CZ-CD 3.44Å; F80-R148 HydrophobicContact CZ-CG 4.19Å; F80-R148 WeakPolarHBondContact O-CD 3.39Å; F80-R148 VanDerWaalsContact O-CZ 3.24Å; F80-R148 PolarHBondContact O-NE 3.14Å; F80-R148 PolarHBondContact O-NH1 3.02Å; E81-R148 PolarHBondContact O-NH2 3.44Å; I83-R148 HydrophobicContact CB-CG 4.14Å; I83-R148 HydrophobicContact CG2-CG 3.86Å; I83-R148 PolarHBondContact O-NE 3.25Å; I83-R148 PolarHBondContact O-NH2 3.4Å; P84-R148 PolarHBondContact O-N 2.8Å; I85-R148 CarbonylContact C-O 3.43Å; I85-R148 VanDerWaalsContact CA-O 3.32Å; I85-R148 WeakPolarHBondContact CA-O 3.32Å; A86-R148 PolarHBondContact N-O 2.91Å; R148-S174 WeakPolarHBondContact CB-OG 3.31Å; R148-S174 WeakPolarHBondContact CG-OG 3.43Å |
| 149 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 127.7 | -176.8 | 176.1 | 0 | 0 | 0 | 0 | 109.5 | A86 I88 I147 V151 I162 L165 V172 S174 T176 | A86-V149 HydrophobicContact CB-CG2 4.36Å; I88-V149 HydrophobicContact CD1-CG1 3.56Å; I88-V149 HydrophobicContact CG1-CG1 4.19Å; I147-V149 HydrophobicContact CD1-CG2 3.95Å; I147-V149 HydrophobicContact CG1-CG2 4.43Å; V149-V151 HydrophobicContact CG1-CG2 3.77Å; V149-I162 HydrophobicContact CG1-CD1 4.28Å; V149-I162 HydrophobicContact CG1-CG1 4.15Å; V149-L165 HydrophobicContact CG2-CD1 4.48Å; V149-V172 HydrophobicContact CB-CG1 4.37Å; V149-V172 HydrophobicContact CG2-CB 4.42Å; V149-V172 HydrophobicContact CG2-CG1 3.68Å; V149-V172 HydrophobicContact CG2-CG2 3.91Å; V149-S174 PolarHBondContact N-O 3.07Å; V149-T176 PolarHBondContact O-N 3.41Å |
| 150 | V | 98.4 | Very high | 97.3 | Very high | 24 Ų | 24 | 52.5 Ų | 52.5 | 15% | 0.145 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 110.1 | 170.6 | 179.2 | 0 | 0 | 0 | 0 | 108.7 | I85 A86 H87 I88 T176 N178 | I85-V150 HydrophobicContact CG2-CB 4.25Å; I85-V150 HydrophobicContact CG2-CG2 3.58Å; A86-V150 PolarHBondContact O-N 3.06Å; H87-V150 WeakPolarHBondContact CA-O 3.44Å; I88-V150 PolarHBondContact N-O 3.43Å; V150-T176 CarbonylContact C-O 3.38Å; V150-T176 WeakPolarHBondContact CA-O 3.45Å; V150-N178 HydrophobicContact CG1-CB 3.76Å |
| 151 | V | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 139 | 179.6 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | I88 V149 R158 I162 I175 T176 N178 | I88-V151 CarbonylContact O-C 3.52Å; I88-V151 WeakPolarHBondContact O-CA 3.41Å; V149-V151 HydrophobicContact CG1-CG2 3.77Å; V151-R158 HydrophobicContact CG1-CG 3.79Å; V151-I162 HydrophobicContact CG2-CD1 4.03Å; V151-I175 HydrophobicContact CG2-CG2 4.39Å; V151-T176 PolarHBondContact N-O 3.33Å; V151-N178 PolarHBondContact O-N 3.2Å |
| 152 | K | 98.4 | Very high | 97.4 | Very high | 98 Ų | 98 | 42.2 Ų | 42.2 | 43% | 0.426 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 116.2 | 173.8 | 179.2 | 167.6 | -175.5 | 166.8 | 0 | 110.4 | I88 K89 A90 N178 | I88-K152 PolarHBondContact O-N 2.96Å; K89-K152 CarbonylContact C-O 3.58Å; K89-K152 WeakPolarHBondContact CA-O 3.47Å; A90-K152 PolarHBondContact N-O 3.43Å; K152-N178 WeakPolarHBondContact CG-O 3.31Å |
| 153 | G | 96.8 | Very high | 97.5 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 16% | 0.155 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 98.6 | 163.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | A90 R158 T179 | A90-G153 CarbonylContact O-C 3.5Å; A90-G153 WeakPolarHBondContact O-CA 3.4Å; G153-R158 PolarHBondContact O-NH1 3.31Å; G153-T179 PolarHBondContact N-OG1 3.45Å |
| 154 | L | 96.9 | Very high | 97.6 | Very high | 117 Ų | 117 | 39.2 Ų | 39.2 | 61% | 0.613 | 21% | 0.207 | S | C | * | . | trans | -109.9 | 31.9 | -173 | -62.1 | 167.3 | 0 | 0 | 0 | 111.8 | T179 | L154-T179 HydrophobicContact CG-CG2 4.42Š| ||
| 155 | G | 96.9 | Very high | 97.7 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 6% | 0.062 | 20% | 0.204 | C | C | . | . | trans | -73.9 | 165 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A90 G157 R158 | A90-G155 WeakPolarHBondContact O-CA 3.49Å; A90-G155 PolarHBondContact O-N 2.84Å; G155-G157 VanDerWaalsContact C-N 3.25Å; G155-G157 PolarHBondContact O-N 3.45Å; G155-R158 VanDerWaalsContact O-CB 3.27Å; G155-R158 WeakPolarHBondContact O-CB 3.38Å; G155-R158 PolarHBondContact O-N 3.04Å | ||
| 156 | P | 96.8 | Very high | 97.8 | Very high | 68 Ų | 68 | 38.7 Ų | 38.7 | 44% | 0.442 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -28.3 | -177 | 24.3 | -33.8 | 0 | 0 | 0 | 113.7 | G123 R158 | G123-P156 WeakPolarHBondContact O-CG 3.37Å; P156-R158 PolarHBondContact O-N 3.22Å |
| 157 | G | 96.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -79.6 | 6.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | T95 A128 G155 A161 | T95-G157 WeakPolarHBondContact OG1-CA 3.29Å; A128-G157 VanDerWaalsContact CB-CA 3.42Å; G155-G157 VanDerWaalsContact C-N 3.25Å; G155-G157 PolarHBondContact O-N 3.45Å; G157-A161 WeakPolarHBondContact O-CB 3.27Å; G157-A161 PolarHBondContact O-N 2.94Å |
| 158 | R | 98.1 | Very high | 97.7 | Very high | 53 Ų | 53 | 44.2 Ų | 44.2 | 20% | 0.2 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.3 | -58.2 | -175.2 | 173.1 | 156.6 | -177.6 | 137.4 | -7.6 | 113.1 | A90 V151 G153 G155 P156 I162 D177 T179 | A90-R158 HydrophobicContact CB-CB 3.92Å; V151-R158 HydrophobicContact CG1-CG 3.79Å; G153-R158 PolarHBondContact O-NH1 3.31Å; G155-R158 VanDerWaalsContact O-CB 3.27Å; G155-R158 WeakPolarHBondContact O-CB 3.38Å; G155-R158 PolarHBondContact O-N 3.04Å; P156-R158 PolarHBondContact O-N 3.22Å; R158-I162 WeakPolarHBondContact O-CG1 3.1Å; R158-D177 IonicContact CZ-OD1 3.65Å; R158-D177 IonicContact CZ-OD2 3.5Å; R158-D177 IonicContact NH1-OD1 3.03Å; R158-D177 PolarHBondContact NH1-OD1 3.47Å; R158-D177 IonicContact NH1-OD2 3.33Å; R158-D177 PolarHBondContact NH1-OD2 3.39Å; R158-D177 IonicContact NH2-OD1 3.36Å; R158-D177 PolarHBondContact NH2-OD1 3.46Å; R158-D177 IonicContact NH2-OD2 2.76Å; R158-D177 PolarHBondContact NH2-OD2 2.9Å; R158-T179 PolarHBondContact NH1-OG1 2.94Å |
| 159 | L | 97.6 | Very high | 97.5 | Very high | 118 Ų | 118 | 44.9 Ų | 44.9 | 62% | 0.618 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -79.5 | -39 | 179.8 | -68.7 | 173.2 | 0 | 0 | 0 | 111.8 | A161 I162 H163 | L159-A161 VanDerWaalsContact C-N 3.29Å; L159-A161 PolarHBondContact O-N 3.33Å; L159-I162 WeakPolarHBondContact O-CB 3.47Å; L159-I162 PolarHBondContact O-N 3.26Å; L159-H163 PolarHBondContact O-CD2 3.26Å; L159-H163 PolarHBondContact O-N 3.08Å |
| 160 | S | 97.9 | Very high | 97.5 | Very high | 33 Ų | 33 | 45 Ų | 45 | 23% | 0.231 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.3 | -35.5 | -178.3 | -50.3 | 0 | 0 | 0 | 0 | 113 | G125 Q129 H163 G164 | G125-S160 WeakPolarHBondContact CA-OG 3.38Å; G125-S160 WeakPolarHBondContact O-CB 3.14Å; Q129-S160 WeakPolarHBondContact CA-O 3.45Å; S160-H163 PolarHBondContact O-N 3.44Å; S160-G164 PolarHBondContact O-N 3.29Å |
| 161 | A | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | I88 T95 I97 A128 G157 L159 G164 L165 | I88-A161 HydrophobicContact CD1-CB 4.14Å; I88-A161 HydrophobicContact CG2-CB 3.91Å; T95-A161 HydrophobicContact CG2-CB 4.04Å; I97-A161 HydrophobicContact CD1-CB 3.78Å; I97-A161 HydrophobicContact CG1-CB 4.39Å; A128-A161 HydrophobicContact CB-CB 4.41Å; G157-A161 WeakPolarHBondContact O-CB 3.27Å; G157-A161 PolarHBondContact O-N 2.94Å; L159-A161 VanDerWaalsContact C-N 3.29Å; L159-A161 PolarHBondContact O-N 3.33Å; A161-G164 PolarHBondContact O-N 3.38Å; A161-L165 WeakPolarHBondContact O-CG 3.19Å; A161-L165 PolarHBondContact O-N 3.33Å |
| 162 | I | 98.2 | Very high | 97.4 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 8% | 0.077 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -46.9 | 176.7 | -61.1 | 174.6 | 0 | 0 | 0 | 109.7 | I88 V149 V151 R158 L159 G164 L165 T166 V172 I175 | I88-I162 HydrophobicContact CD1-CG1 3.7Å; V149-I162 HydrophobicContact CG1-CD1 4.28Å; V149-I162 HydrophobicContact CG1-CG1 4.15Å; V151-I162 HydrophobicContact CG2-CD1 4.03Å; R158-I162 WeakPolarHBondContact O-CG1 3.1Å; L159-I162 WeakPolarHBondContact O-CB 3.47Å; L159-I162 PolarHBondContact O-N 3.26Å; I162-G164 VanDerWaalsContact C-N 3.3Å; I162-G164 PolarHBondContact O-N 3.17Å; I162-L165 WeakPolarHBondContact O-CB 3.46Å; I162-L165 PolarHBondContact O-N 3.23Å; I162-L165 VanDerWaalsContact O-N 3.16Å; I162-T166 PolarHBondContact O-N 3.06Å; I162-T166 VanDerWaalsContact O-N 3.14Å; I162-T166 PolarHBondContact O-OG1 3.16Å; I162-V172 HydrophobicContact CG2-CG2 4.36Å; I162-I175 HydrophobicContact CD1-CG2 4.46Å |
| 163 | H | 98.1 | Very high | 97.4 | Very high | 117 Ų | 117 | 47.9 Ų | 47.9 | 54% | 0.542 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 175.3 | -72.7 | -158.1 | 0 | 0 | 0 | 111.7 | L159 S160 L165 T166 M167 | L159-H163 PolarHBondContact O-CD2 3.26Å; L159-H163 PolarHBondContact O-N 3.08Å; S160-H163 PolarHBondContact O-N 3.44Å; H163-L165 VanDerWaalsContact C-N 3.32Å; H163-L165 PolarHBondContact O-N 3.29Å; H163-T166 PolarHBondContact O-N 3.5Å; H163-M167 VanDerWaalsContact O-CG 3.31Å; H163-M167 WeakPolarHBondContact O-CG 3.5Å; H163-M167 PolarHBondContact O-N 3.12Å |
| 164 | G | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.3 | -37.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | G132 V133 S160 A161 I162 M167 G168 | G132-G164 CarbonylContact C-O 3.5Å; V133-G164 WeakPolarHBondContact CA-O 3.38Å; V133-G164 WeakPolarHBondContact CG2-O 3.42Å; V133-G164 PolarHBondContact N-O 3.04Å; S160-G164 PolarHBondContact O-N 3.29Å; A161-G164 PolarHBondContact O-N 3.38Å; I162-G164 VanDerWaalsContact C-N 3.3Å; I162-G164 PolarHBondContact O-N 3.17Å; G164-M167 PolarHBondContact O-N 3.01Å; G164-G168 PolarHBondContact O-N 3.06Å |
| 165 | L | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 175.1 | -70.5 | 168.5 | 0 | 0 | 0 | 111.5 | A86 I88 I97 A135 A136 I147 V149 A161 I162 H163 G168 L170 | A86-L165 HydrophobicContact CB-CD1 4.16Å; I88-L165 HydrophobicContact CD1-CD1 3.78Å; I88-L165 HydrophobicContact CG1-CD1 4.37Å; I97-L165 HydrophobicContact CG2-CD2 4.21Å; A135-L165 HydrophobicContact CB-CD2 4.27Å; A136-L165 HydrophobicContact CB-CD2 4.17Å; I147-L165 HydrophobicContact CD1-CB 4.21Å; I147-L165 HydrophobicContact CD1-CD1 3.92Å; I147-L165 HydrophobicContact CD1-CG 4.47Å; V149-L165 HydrophobicContact CG2-CD1 4.48Å; A161-L165 WeakPolarHBondContact O-CG 3.19Å; A161-L165 PolarHBondContact O-N 3.33Å; I162-L165 WeakPolarHBondContact O-CB 3.46Å; I162-L165 PolarHBondContact O-N 3.23Å; I162-L165 VanDerWaalsContact O-N 3.16Å; H163-L165 VanDerWaalsContact C-N 3.32Å; H163-L165 PolarHBondContact O-N 3.29Å; L165-G168 PolarHBondContact O-N 2.76Å; L165-L170 HydrophobicContact CD2-CD1 4.12Å; L165-L170 PolarHBondContact O-N 3.23Å |
| 166 | T | 98 | Very high | 97.4 | Very high | 80 Ų | 80 | 50.9 Ų | 50.9 | 49% | 0.491 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 175.6 | -51.3 | 0 | 0 | 0 | 0 | 111.9 | I162 H163 G168 G169 L170 | I162-T166 PolarHBondContact O-N 3.06Å; I162-T166 VanDerWaalsContact O-N 3.14Å; I162-T166 PolarHBondContact O-OG1 3.16Å; H163-T166 PolarHBondContact O-N 3.5Å; T166-G168 VanDerWaalsContact C-N 3.26Å; T166-G168 PolarHBondContact O-N 3.47Å; T166-G169 PolarHBondContact O-N 3.45Å; T166-G169 VanDerWaalsContact O-N 3.08Å; T166-L170 WeakPolarHBondContact CA-O 3.44Å |
| 167 | M | 97.8 | Very high | 97.5 | Very high | 125 Ų | 125 | 51.5 Ų | 51.5 | 62% | 0.616 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.7 | -29.7 | 176.5 | -72.9 | 175.4 | 65.5 | 0 | 0 | 113.5 | Q129 V133 H163 G164 G169 | Q129-M167 HydrophobicContact CG-SD 4.21Å; Q129-M167 PolarHBondContact NE2-SD 3.15Å; V133-M167 HydrophobicContact CG2-CB 4.05Å; H163-M167 VanDerWaalsContact O-CG 3.31Å; H163-M167 WeakPolarHBondContact O-CG 3.5Å; H163-M167 PolarHBondContact O-N 3.12Å; G164-M167 PolarHBondContact O-N 3.01Å; M167-G169 PolarHBondContact O-N 3.21Å |
| 168 | G | 95.6 | Very high | 97.5 | Very high | 19 Ų | 19 | 56.3 Ų | 56.3 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 7.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G164 L165 T166 | G164-G168 PolarHBondContact O-N 3.06Å; L165-G168 PolarHBondContact O-N 2.76Å; T166-G168 VanDerWaalsContact C-N 3.26Å; T166-G168 PolarHBondContact O-N 3.47Å |
| 169 | G | 95.1 | Very high | 97.5 | Very high | 53 Ų | 53 | 55.3 Ų | 55.3 | 55% | 0.546 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | 13.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | T166 M167 | T166-G169 PolarHBondContact O-N 3.45Å; T166-G169 VanDerWaalsContact O-N 3.08Å; M167-G169 PolarHBondContact O-N 3.21Å |
| 170 | L | 97.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -94.4 | 136.5 | 172.6 | -63.8 | -177.9 | 0 | 0 | 0 | 111.4 | A136 A139 V144 T145 I147 L165 T166 | A136-L170 HydrophobicContact CB-CD1 3.78Å; A136-L170 HydrophobicContact CB-CG 3.83Å; A139-L170 HydrophobicContact CB-CD1 4.15Å; V144-L170 HydrophobicContact CB-CD2 4.21Å; V144-L170 HydrophobicContact CG1-CD2 3.9Å; V144-L170 WeakPolarHBondContact O-CD2 3.42Å; T145-L170 WeakPolarHBondContact O-CA 3.5Å; I147-L170 HydrophobicContact CD1-CB 4.04Å; I147-L170 HydrophobicContact CD1-CD1 3.97Å; I147-L170 HydrophobicContact CG1-CB 4.22Å; I147-L170 HydrophobicContact CG2-CD1 4.04Å; L165-L170 HydrophobicContact CD2-CD1 4.12Å; L165-L170 PolarHBondContact O-N 3.23Å; T166-L170 WeakPolarHBondContact CA-O 3.44Å |
| 171 | E | 97.8 | Very high | 97.3 | Very high | 104 Ų | 104 | 58.7 Ų | 58.7 | 49% | 0.486 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 125.7 | 175.6 | -167 | 175.3 | 167.8 | 0 | 0 | 111 | T145 H146 I147 | T145-E171 PolarHBondContact O-N 3.33Å; H146-E171 CarbonylContact C-O 3.56Å; H146-E171 WeakPolarHBondContact CA-O 3.48Å; H146-E171 IonicContact CD2-OE2 3.51Å; H146-E171 IonicContact NE2-OE2 3.36Å; H146-E171 PolarHBondContact NE2-OE2 3.01Å; I147-E171 WeakPolarHBondContact CG1-O 3.48Å; I147-E171 PolarHBondContact N-O 3.19Å |
| 172 | V | 97.8 | Very high | 97.2 | Very high | 38 Ų | 38 | 63.4 Ų | 63.4 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 117.2 | -179.8 | 177.8 | 0 | 0 | 0 | 0 | 109.3 | I147 V149 I162 I175 | I147-V172 HydrophobicContact CD1-CG2 4.07Å; I147-V172 HydrophobicContact CG1-CG2 4.19Å; V149-V172 HydrophobicContact CB-CG1 4.37Å; V149-V172 HydrophobicContact CG2-CB 4.42Å; V149-V172 HydrophobicContact CG2-CG1 3.68Å; V149-V172 HydrophobicContact CG2-CG2 3.91Å; I162-V172 HydrophobicContact CG2-CG2 4.36Å; V172-I175 HydrophobicContact CG1-CG1 3.93Å |
| 173 | I | 96.8 | Very high | 97.1 | Very high | 41 Ų | 41 | 71 Ų | 71 | 21% | 0.21 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -42.3 | -178.7 | -64.6 | 166.6 | 0 | 0 | 0 | 111.8 | W75 F80 I83 H146 I147 | W75-I173 HydrophobicContact CB-CD1 3.79Å; W75-I173 HydrophobicContact CD2-CD1 3.66Å; W75-I173 HydrophobicContact CD2-CG1 4.44Å; W75-I173 HydrophobicContact CD2-CG2 4.24Å; W75-I173 VanDerWaalsContact CE2-CG2 3.45Å; W75-I173 HydrophobicContact CE3-CD1 4.47Å; W75-I173 HydrophobicContact CG-CD1 3.33Å; W75-I173 HydrophobicContact CG-CG1 4.14Å; W75-I173 HydrophobicContact CH2-CG2 4.17Å; W75-I173 HydrophobicContact CZ2-CG2 3.4Å; F80-I173 HydrophobicContact CE2-CG2 4.33Å; I83-I173 HydrophobicContact CD1-CD1 3.37Å; I83-I173 HydrophobicContact CG1-CD1 4.48Å; I83-I173 HydrophobicContact CG2-CD1 4.13Å; H146-I173 HydrophobicContact CB-CD1 3.49Å; H146-I173 VanDerWaalsContact CB-CD1 3.49Å; H146-I173 HydrophobicContact CB-CG1 4.23Å; I147-I173 PolarHBondContact O-N 3.37Å |
| 174 | S | 97.2 | Very high | 96.9 | Very high | 21 Ų | 21 | 73.6 Ų | 73.6 | 15% | 0.147 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 150.1 | -176 | 59.3 | 0 | 0 | 0 | 0 | 110.5 | R148 V149 | R148-S174 WeakPolarHBondContact CB-OG 3.31Å; R148-S174 WeakPolarHBondContact CG-OG 3.43Å; V149-S174 PolarHBondContact N-O 3.07Å |
| 175 | I | 97.6 | Very high | 96.8 | Very high | 109 Ų | 109 | 76.2 Ų | 76.2 | 56% | 0.559 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 114.1 | 176.2 | -56.7 | 174 | 0 | 0 | 0 | 107.1 | V151 I162 V172 | V151-I175 HydrophobicContact CG2-CG2 4.39Å; I162-I175 HydrophobicContact CD1-CG2 4.46Å; V172-I175 HydrophobicContact CG1-CG1 3.93Å |
| 176 | T | 97.9 | Very high | 96.7 | Very high | 72 Ų | 72 | 82.3 Ų | 82.3 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 135 | 176.1 | -52.4 | 0 | 0 | 0 | 0 | 109 | V149 V150 V151 | V149-T176 PolarHBondContact O-N 3.41Å; V150-T176 CarbonylContact C-O 3.38Å; V150-T176 WeakPolarHBondContact CA-O 3.45Å; V151-T176 PolarHBondContact N-O 3.33Å |
| 177 | D | 97.4 | Very high | 96.7 | Very high | 81 Ų | 81 | 89.5 Ų | 89.5 | 43% | 0.433 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 124.4 | 171.7 | -168.9 | 11.9 | 0 | 0 | 0 | 110.3 | R158 T179 | R158-D177 IonicContact CZ-OD1 3.65Å; R158-D177 IonicContact CZ-OD2 3.5Å; R158-D177 IonicContact NH1-OD1 3.03Å; R158-D177 PolarHBondContact NH1-OD1 3.47Å; R158-D177 IonicContact NH1-OD2 3.33Å; R158-D177 PolarHBondContact NH1-OD2 3.39Å; R158-D177 IonicContact NH2-OD1 3.36Å; R158-D177 PolarHBondContact NH2-OD1 3.46Å; R158-D177 IonicContact NH2-OD2 2.76Å; R158-D177 PolarHBondContact NH2-OD2 2.9Å; D177-T179 WeakPolarHBondContact OD1-CB 2.95Å; D177-T179 PolarHBondContact OD1-N 2.92Å; D177-T179 VanDerWaalsContact OD1-N 3.1Å; D177-T179 PolarHBondContact OD1-OG1 3.5Å |
| 178 | N | 97.5 | Very high | 96.6 | Very high | 100 Ų | 100 | 88.7 Ų | 88.7 | 54% | 0.535 | 51% | 0.506 | S | S | . | . | trans | -122 | 46.5 | 174.2 | -170.4 | 5.4 | 0 | 0 | 0 | 109.8 | V150 V151 K152 | V150-N178 HydrophobicContact CG1-CB 3.76Å; V151-N178 PolarHBondContact O-N 3.2Å; K152-N178 WeakPolarHBondContact CG-O 3.31Å | ||
| 179 | T | 97.3 | Very high | 96.7 | Very high | 32 Ų | 32 | 96.3 Ų | 96.3 | 20% | 0.196 | 53% | 0.529 | C | S | . | . | trans | -71.8 | 127.9 | 172.2 | -65.4 | 0 | 0 | 0 | 0 | 109.3 | G153 L154 R158 D177 I181 | G153-T179 PolarHBondContact N-OG1 3.45Å; L154-T179 HydrophobicContact CG-CG2 4.42Å; R158-T179 PolarHBondContact NH1-OG1 2.94Å; D177-T179 WeakPolarHBondContact OD1-CB 2.95Å; D177-T179 PolarHBondContact OD1-N 2.92Å; D177-T179 VanDerWaalsContact OD1-N 3.1Å; D177-T179 PolarHBondContact OD1-OG1 3.5Å; T179-I181 PolarHBondContact O-N 3.03Å | ||
| 180 | P | 95.9 | Very high | 96.8 | Very high | 88 Ų | 88 | 102.1 Ų | 102.1 | 57% | 0.571 | 54% | 0.539 | S | S | * | . | trans | -70 | 118.9 | -175.6 | 27.7 | -34.4 | 0 | 0 | 0 | 111.1 | ||||
| 181 | I | 95.5 | Very high | 96.8 | Very high | 135 Ų | 135 | 106.2 Ų | 106.2 | 69% | 0.692 | 57% | 0.574 | S | S | * | * | trans | -110.6 | 106.5 | 174.5 | -60.1 | 170.9 | 0 | 0 | 0 | 107.7 | T179 | T179-I181 PolarHBondContact O-N 3.03Š| ||
| 182 | P | 95.9 | Very high | 96.7 | Very high | 98 Ų | 98 | 109.2 Ų | 109.2 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | trans | -80.7 | 129.6 | 179.6 | 30.6 | -32.5 | 0 | 0 | 0 | 111.5 | N184 | P182-N184 VanDerWaalsContact C-N 3.3Å; P182-N184 PolarHBondContact O-N 2.95Å | ||
| 183 | H | 96.1 | Very high | 96.6 | Very high | 176 Ų | 176 | 118.9 Ų | 118.9 | 82% | 0.815 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -82.3 | 73.4 | 170.1 | -59.7 | -68.5 | 0 | 0 | 0 | 110.4 | G185 | H183-G185 VanDerWaalsContact C-N 3.32Å; H183-G185 PolarHBondContact O-N 3.03Å |
| 184 | N | 94.9 | Very high | 96 | Very high | 170 Ų | 170 | 127 Ų | 127 | 91% | 0.909 | 66% | 0.655 | S | S | * | * | S | Bend | trans | 55.5 | 40 | -176.9 | -62.1 | -33.8 | 0 | 0 | 0 | 114.4 | P182 | P182-N184 VanDerWaalsContact C-N 3.3Å; P182-N184 PolarHBondContact O-N 2.95Å |
| 185 | G | 95.6 | Very high | 96 | Very high | 55 Ų | 55 | 132.3 Ų | 132.3 | 57% | 0.567 | 68% | 0.681 | S | S | * | * | trans | -77.9 | -133 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | H183 R187 | H183-G185 VanDerWaalsContact C-N 3.32Å; H183-G185 PolarHBondContact O-N 3.03Å; G185-R187 PolarHBondContact O-N 2.91Å | ||
| 186 | C | 96.8 | Very high | 95.9 | Very high | 129 Ų | 129 | 133.5 Ų | 133.5 | 87% | 0.872 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -57.3 | 134.4 | -178.3 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | P188 | C186-P188 WeakPolarHBondContact O-CD 3.41Š|
| 187 | R | 97.1 | Very high | 95.8 | Very high | 231 Ų | 231 | 136.9 Ų | 136.9 | 87% | 0.872 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -62 | 122.6 | 177.2 | -176.2 | 178.7 | -179.2 | 171.9 | 4 | 110.7 | G185 | G185-R187 PolarHBondContact O-N 2.91Š|
| 188 | P | 96.1 | Very high | 95.7 | Very high | 107 Ų | 107 | 140.2 Ų | 140.2 | 70% | 0.695 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 157.3 | 173.7 | 28.2 | -34 | 0 | 0 | 0 | 110.9 | C186 | C186-P188 WeakPolarHBondContact O-CD 3.41Š|
| 189 | R | 96.7 | Very high | 95.6 | Very high | 180 Ų | 180 | 142.7 Ų | 142.7 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 151.1 | 176.2 | 70.3 | -179 | -171.7 | 158.5 | 4.7 | 111.5 | ||
| 190 | K | 97.8 | Very high | 95.5 | Very high | 174 Ų | 174 | 150.1 Ų | 150.1 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 140.8 | 175.1 | -172.2 | 178.8 | 178 | 177.1 | 0 | 111.3 | ||
| 191 | A | 96.9 | Very high | 95.4 | Very high | 90 Ų | 90 | 154.5 Ų | 154.5 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 139.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 192 | R | 96.3 | Very high | 95.4 | Very high | 166 Ų | 166 | 156 Ų | 156 | 63% | 0.626 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 155.6 | 178.2 | -67.1 | -175.8 | 170.4 | -171.1 | -6.3 | 109.9 | L194 | R192-L194 HydrophobicContact CB-CD1 4.49Å; R192-L194 HydrophobicContact CB-CG 4.4Å |
| 193 | R | 95.9 | Very high | 95.4 | Very high | 241 Ų | 241 | 160.8 Ų | 160.8 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -100.2 | 14.4 | 179.5 | -60.1 | -177.8 | 172.8 | -160.3 | -3.1 | 113.3 | ||||
| 194 | L | 84.5 | Confident | 95.3 | Very high | 211 Ų | 211 | 159.5 Ų | 159.5 | 100% | 1.105 | 79% | 0.794 | S | S | * | * | trans | -65.7 | 0 | -175.5 | -70.1 | 171.5 | 0 | 0 | 0 | 111.1 | R192 | R192-L194 HydrophobicContact CB-CD1 4.49Å; R192-L194 HydrophobicContact CB-CG 4.4Å |
Retrieved 194 of 194 residues in 787.2 ms
(Link to these results)