| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.5 | Very low | 30.8 | Very low | 248 Ų | 248 | 134.3 Ų | 134.3 | 100% | 1.222 | 87% | 0.866 | S | S | * | * | 0 | 123.3 | 0 | -82.5 | 170.4 | 164.2 | 0 | 0 | 107.4 | |||||
| 2 | V | 32.2 | Very low | 30.6 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 88% | 0.879 | 86% | 0.862 | S | S | * | * | trans | -92.9 | 156.2 | -161.1 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 3 | A | 30.5 | Very low | 30.4 | Very low | 83 Ų | 83 | 131.5 Ų | 131.5 | 69% | 0.686 | 86% | 0.858 | S | S | * | * | trans | -39.6 | 158.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 4 | E | 29.7 | Very low | 30.3 | Very low | 197 Ų | 197 | 131.7 Ų | 131.7 | 92% | 0.921 | 86% | 0.855 | S | S | * | * | -161.9 | 153.4 | 110 | -112 | -174.9 | 164.3 | 0 | 0 | 113.5 | |||||
| 5 | A | 30.7 | Very low | 30.3 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 86% | 0.86 | 86% | 0.856 | S | S | * | * | trans | -83.2 | 158.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 6 | G | 26.6 | Very low | 30.4 | Very low | 78 Ų | 78 | 139.3 Ų | 139.3 | 80% | 0.804 | 85% | 0.852 | S | S | * | * | trans | -177.4 | 86.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 7 | S | 28.8 | Very low | 30.3 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 86% | 0.86 | 85% | 0.852 | S | S | * | * | trans | 15.7 | 131.7 | 149.5 | -142.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 8 | M | 31.2 | Very low | 30.2 | Very low | 181 Ų | 181 | 142.8 Ų | 142.8 | 89% | 0.892 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 143.8 | 168.9 | -58.9 | 173 | 84.6 | 0 | 0 | 112.9 | ||
| 9 | P | 30.2 | Very low | 30.4 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 82% | 0.818 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 134.6 | 157.1 | 30.6 | -20.7 | 0 | 0 | 0 | 111.8 | ||
| 10 | A | 29 | Very low | 30.5 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 81% | 0.81 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 151.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 11 | A | 29.9 | Very low | 30.5 | Very low | 94 Ų | 94 | 144.8 Ų | 144.8 | 78% | 0.777 | 85% | 0.85 | S | S | * | * | trans | 4.4 | 119.4 | 160 | 0 | 0 | 0 | 0 | 0 | 118.3 | S13 | A11-S13 PolarHBondContact O-N 3.36Š| ||
| 12 | S | 28.5 | Very low | 30.4 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -57.1 | 118.5 | 170.5 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | V14 | S12-V14 PolarHBondContact O-N 3.3Š| ||
| 13 | S | 28.2 | Very low | 30.6 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | trans | -60.5 | 110.8 | 171.8 | -55.8 | 0 | 0 | 0 | 0 | 112.6 | A11 K15 | A11-S13 PolarHBondContact O-N 3.36Å; S13-K15 PolarHBondContact O-N 3.11Å | ||
| 14 | V | 28.8 | Very low | 30.7 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | trans | -72.3 | 118.4 | 165.2 | 175.4 | 0 | 0 | 0 | 0 | 108.9 | S12 K16 | S12-V14 PolarHBondContact O-N 3.3Å; V14-K16 PolarHBondContact O-N 3.28Å | ||
| 15 | K | 30.3 | Very low | 30.8 | Very low | 201 Ų | 201 | 134 Ų | 134 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -59.7 | 113.2 | 176 | -72.3 | 174 | 177.5 | 173.3 | 0 | 110.4 | S13 | S13-K15 PolarHBondContact O-N 3.11Š| ||
| 16 | K | 31.9 | Very low | 31.1 | Very low | 183 Ų | 183 | 136.7 Ų | 136.7 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | -75.1 | 132 | 163.1 | -69.7 | 176.4 | 179 | 175.3 | 0 | 109.1 | V14 F18 | V14-K16 PolarHBondContact O-N 3.28Å; K16-F18 PolarHBondContact O-N 3.27Å | ||
| 17 | P | 28.8 | Very low | 31.4 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -73.4 | 113.4 | 171.4 | 27.4 | -29 | 0 | 0 | 0 | 109.9 | ||||
| 18 | F | 28.1 | Very low | 31.6 | Very low | 212 Ų | 212 | 140.5 Ų | 140.5 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | trans | -65.2 | 130.2 | 164.9 | -92 | -98.9 | 0 | 0 | 0 | 109.9 | K16 | K16-F18 PolarHBondContact O-N 3.27Š| ||
| 19 | G | 34.3 | Very low | 31.6 | Very low | 64 Ų | 64 | 141.7 Ų | 141.7 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | trans | -173.6 | 15.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 20 | L | 32.3 | Very low | 31.9 | Very low | 166 Ų | 166 | 144 Ų | 144 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -132.8 | -0.5 | -179.6 | -93.3 | 154.5 | 0 | 0 | 0 | 115.9 | ||
| 21 | R | 32.2 | Very low | 32.1 | Very low | 239 Ų | 239 | 142.8 Ų | 142.8 | 90% | 0.902 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -97.9 | -8.4 | 175.8 | -108.5 | -179.2 | 178.5 | -144 | 0.2 | 115.2 | ||
| 22 | S | 35.5 | Very low | 32.2 | Very low | 82 Ų | 82 | 145.6 Ų | 145.6 | 57% | 0.573 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -16 | -177.7 | 72.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 23 | K | 36.6 | Very low | 32.3 | Very low | 182 Ų | 182 | 146 Ų | 146 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -32.8 | 178.1 | -78.5 | -178.2 | 176 | 179.1 | 0 | 113.6 | G25 K26 | K23-G25 VanDerWaalsContact C-N 3.34Å; K23-K26 PolarHBondContact O-N 3.27Å |
| 24 | M | 32.9 | Very low | 32.4 | Very low | 151 Ų | 151 | 152.3 Ų | 152.3 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -73.5 | -27.2 | 173.4 | -126.5 | 125.9 | 98.2 | 0 | 0 | 112.8 | K26 C28 | M24-K26 VanDerWaalsContact C-N 3.29Å; M24-K26 PolarHBondContact O-N 3.19Å; M24-C28 PolarHBondContact O-N 2.89Å |
| 25 | G | 33.1 | Very low | 32.5 | Very low | 32 Ų | 32 | 151.9 Ų | 151.9 | 33% | 0.33 | 75% | 0.746 | S | S | . | * | H | α-helix | trans | -72.4 | -16.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K23 R29 | K23-G25 VanDerWaalsContact C-N 3.34Å; G25-R29 WeakPolarHBondContact O-CD 3.49Å; G25-R29 VanDerWaalsContact O-CG 3.27Å; G25-R29 WeakPolarHBondContact O-CG 3.33Å |
| 26 | K | 36.5 | Very low | 32.5 | Very low | 160 Ų | 160 | 154.5 Ų | 154.5 | 70% | 0.696 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -90.2 | -30.4 | 175.5 | -72.2 | -176.7 | -179 | -173.3 | 0 | 112.4 | K23 M24 | K23-K26 PolarHBondContact O-N 3.27Å; M24-K26 VanDerWaalsContact C-N 3.29Å; M24-K26 PolarHBondContact O-N 3.19Å |
| 27 | W | 33.1 | Very low | 32.3 | Very low | 200 Ų | 200 | 149.5 Ų | 149.5 | 76% | 0.758 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -71.5 | -44.4 | 175.6 | -147 | 68.2 | 0 | 0 | 0 | 111.8 | R29 H30 | W27-R29 VanDerWaalsContact C-N 3.32Å; W27-R29 PolarHBondContact O-N 3.45Å; W27-H30 PolarHBondContact O-N 3.09Å |
| 28 | C | 31.7 | Very low | 32.7 | Very low | 81 Ų | 81 | 149.5 Ų | 149.5 | 55% | 0.547 | 75% | 0.754 | S | S | . | * | H | α-helix | trans | -69.8 | -21.7 | 178 | -73.9 | 0 | 0 | 0 | 0 | 114.8 | M24 | M24-C28 PolarHBondContact O-N 2.89Å |
| 29 | R | 32.9 | Very low | 32.7 | Very low | 207 Ų | 207 | 143.1 Ų | 143.1 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -78.7 | -21 | 177.2 | -77.3 | 179.4 | -165.9 | -117.1 | 3.7 | 113.4 | G25 W27 | G25-R29 WeakPolarHBondContact O-CD 3.49Å; G25-R29 VanDerWaalsContact O-CG 3.27Å; G25-R29 WeakPolarHBondContact O-CG 3.33Å; W27-R29 VanDerWaalsContact C-N 3.32Å; W27-R29 PolarHBondContact O-N 3.45Å |
| 30 | H | 36.3 | Very low | 32.7 | Very low | 174 Ų | 174 | 150.4 Ų | 150.4 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | H | α-helix | trans | -90.8 | -20.5 | -178 | -137 | -64.3 | 0 | 0 | 0 | 113.1 | W27 | W27-H30 PolarHBondContact O-N 3.09Å |
| 31 | C | 32.1 | Very low | 32.5 | Very low | 73 Ų | 73 | 148.1 Ų | 148.1 | 49% | 0.493 | 76% | 0.759 | S | S | . | * | H | α-helix | trans | -100.1 | -18.4 | -179.1 | -61.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 32 | F | 32.2 | Very low | 32.6 | Very low | 152 Ų | 152 | 144.4 Ų | 144.4 | 67% | 0.667 | 76% | 0.757 | S | S | * | * | trans | -147.3 | 96.8 | -177.1 | -67.2 | -80.7 | 0 | 0 | 0 | 113 | W34 | F32-W34 VanDerWaalsContact C-N 3.25Å; F32-W34 PolarHBondContact O-N 3.08Å | ||
| 33 | P | 30 | Very low | 32.2 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -73.7 | -6.1 | 179.5 | -17.1 | 31.4 | 0 | 0 | 0 | 115.3 | ||
| 34 | W | 31.5 | Very low | 31.8 | Very low | 249 Ų | 249 | 141.8 Ų | 141.8 | 94% | 0.943 | 77% | 0.765 | S | S | * | * | trans | -128.6 | 77.7 | -176.2 | -104 | -12.6 | 0 | 0 | 0 | 112.5 | F32 | F32-W34 VanDerWaalsContact C-N 3.25Å; F32-W34 PolarHBondContact O-N 3.08Å | ||
| 35 | C | 30.3 | Very low | 31.9 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -146.9 | 79.1 | 159.1 | -91.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 36 | R | 30.5 | Very low | 31.7 | Very low | 257 Ų | 257 | 145.7 Ų | 145.7 | 97% | 0.97 | 80% | 0.796 | S | S | * | * | trans | -102.9 | 123.3 | 153 | -99.7 | -169.3 | 175.6 | -142 | 2.8 | 106.9 | ||||
| 37 | G | 28.1 | Very low | 31.7 | Very low | 78 Ų | 78 | 141.1 Ų | 141.1 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -179.1 | 93.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 38 | S | 36.1 | Very low | 31.5 | Very low | 130 Ų | 130 | 139 Ų | 139 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | -64.9 | 140.9 | 168.7 | 52 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 39 | G | 27.6 | Very low | 31.7 | Very low | 78 Ų | 78 | 143.6 Ų | 143.6 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -166.1 | 108.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 40 | K | 34.9 | Very low | 32 | Very low | 217 Ų | 217 | 140.9 Ų | 140.9 | 94% | 0.943 | 81% | 0.812 | S | S | * | * | trans | -76.8 | 141.2 | 167.2 | -69.1 | 176.3 | 175.7 | 177.3 | 0 | 108.8 | ||||
| 41 | S | 29.2 | Very low | 32.3 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -158.2 | 124.3 | 143.9 | 49.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 42 | N | 33.4 | Very low | 32.6 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -71.7 | 143.6 | 156.5 | -74.5 | -14.5 | 0 | 0 | 0 | 108.7 | ||||
| 43 | V | 28.1 | Very low | 32.9 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | -164.9 | 139.8 | 135 | 176.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 44 | G | 26.4 | Very low | 33.1 | Very low | 60 Ų | 60 | 132.3 Ų | 132.3 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | trans | -87.3 | 171.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 45 | T | 35.9 | Very low | 33.4 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 87% | 0.865 | 76% | 0.763 | S | S | * | * | trans | 20.6 | 110.1 | 155.4 | 58.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 46 | S | 28.7 | Very low | 33.9 | Very low | 123 Ų | 123 | 123.9 Ų | 123.9 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | 175.8 | 147.9 | 117.7 | 56 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 47 | G | 36.9 | Very low | 34.1 | Very low | 65 Ų | 65 | 116.4 Ų | 116.4 | 67% | 0.67 | 72% | 0.72 | S | S | * | * | trans | -60.8 | 140.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 48 | D | 28.8 | Very low | 34.5 | Very low | 155 Ų | 155 | 121.7 Ų | 121.7 | 83% | 0.829 | 72% | 0.716 | S | S | * | * | trans | 172.3 | 118 | 134.9 | -83.2 | -24 | 0 | 0 | 0 | 109.3 | ||||
| 49 | H | 34.9 | Very low | 34.8 | Very low | 177 Ų | 177 | 118.4 Ų | 118.4 | 82% | 0.819 | 69% | 0.693 | S | S | * | * | trans | 33.1 | 116.1 | 160 | -66.7 | -74.4 | 0 | 0 | 0 | 121.2 | D51 | H49-D51 VanDerWaalsContact C-N 3.28Å; H49-D51 PolarHBondContact O-N 3.24Å | ||
| 50 | D | 41 | Very low | 35.4 | Very low | 150 Ų | 150 | 121.6 Ų | 121.6 | 80% | 0.802 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -58.5 | 68.4 | 165.5 | -79.2 | -48.7 | 0 | 0 | 0 | 114.7 | ||
| 51 | D | 40.8 | Very low | 35.5 | Very low | 85 Ų | 85 | 116 Ų | 116 | 46% | 0.455 | 66% | 0.663 | S | S | . | * | trans | -102.4 | -16.9 | 167.6 | -163.3 | 34.8 | 0 | 0 | 0 | 112 | H49 K55 | H49-D51 VanDerWaalsContact C-N 3.28Å; H49-D51 PolarHBondContact O-N 3.24Å; D51-K55 WeakPolarHBondContact O-CB 3.48Å; D51-K55 WeakPolarHBondContact O-CG 3.28Å; D51-K55 PolarHBondContact O-N 3.33Å; D51-K55 VanDerWaalsContact O-N 3.14Å; D51-K55 VanDerWaalsContact OD2-CE 3.23Å; D51-K55 WeakPolarHBondContact OD2-CE 3.41Å; D51-K55 IonicContact OD2-NZ 2.68Å; D51-K55 PolarHBondContact OD2-NZ 3.03Å | ||
| 52 | S | 39.4 | Very low | 35.9 | Very low | 90 Ų | 90 | 111.6 Ų | 111.6 | 63% | 0.629 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.4 | -40.4 | 177.8 | 151.3 | 0 | 0 | 0 | 0 | 112.9 | K55 T56 | S52-K55 PolarHBondContact O-N 3.1Å; S52-T56 WeakPolarHBondContact O-CB 3.4Å; S52-T56 PolarHBondContact O-N 3.43Å; S52-T56 PolarHBondContact O-OG1 2.7Å |
| 53 | A | 38.7 | Very low | 36.1 | Very low | 57 Ų | 57 | 110.6 Ų | 110.6 | 47% | 0.471 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.1 | -40.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T56 L57 | A53-T56 PolarHBondContact O-N 2.77Å; A53-L57 WeakPolarHBondContact O-CB 3.39Å; A53-L57 PolarHBondContact O-N 3.06Å |
| 54 | M | 34.6 | Very low | 36.5 | Very low | 114 Ų | 114 | 112 Ų | 112 | 56% | 0.562 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.4 | -40.3 | 176.1 | -98.8 | -76.6 | -140.4 | 0 | 0 | 112.7 | T56 L57 R58 | M54-T56 VanDerWaalsContact C-N 3.31Å; M54-T56 PolarHBondContact O-N 3.27Å; M54-L57 PolarHBondContact O-N 3.39Å; M54-R58 WeakPolarHBondContact O-CB 3.49Å; M54-R58 WeakPolarHBondContact O-CG 3.41Å; M54-R58 PolarHBondContact O-N 3.05Å |
| 55 | K | 36.2 | Very low | 36.9 | Very low | 131 Ų | 131 | 111.7 Ų | 111.7 | 57% | 0.57 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.2 | -37.9 | 172.5 | -79.8 | 169.3 | 174.4 | 156.3 | 0 | 112 | D51 S52 S59 | D51-K55 WeakPolarHBondContact O-CB 3.48Å; D51-K55 WeakPolarHBondContact O-CG 3.28Å; D51-K55 PolarHBondContact O-N 3.33Å; D51-K55 VanDerWaalsContact O-N 3.14Å; D51-K55 VanDerWaalsContact OD2-CE 3.23Å; D51-K55 WeakPolarHBondContact OD2-CE 3.41Å; D51-K55 IonicContact OD2-NZ 2.68Å; D51-K55 PolarHBondContact OD2-NZ 3.03Å; S52-K55 PolarHBondContact O-N 3.1Å; K55-S59 VanDerWaalsContact O-CB 3.25Å; K55-S59 WeakPolarHBondContact O-CB 3.5Å; K55-S59 PolarHBondContact O-N 3.49Å |
| 56 | T | 40.5 | Very low | 36.8 | Very low | 64 Ų | 64 | 114.7 Ų | 114.7 | 39% | 0.393 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.5 | -38.7 | 175.5 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | S52 A53 M54 S59 K60 | S52-T56 WeakPolarHBondContact O-CB 3.4Å; S52-T56 PolarHBondContact O-N 3.43Å; S52-T56 PolarHBondContact O-OG1 2.7Å; A53-T56 PolarHBondContact O-N 2.77Å; M54-T56 VanDerWaalsContact C-N 3.31Å; M54-T56 PolarHBondContact O-N 3.27Å; T56-S59 PolarHBondContact O-N 3.35Å; T56-K60 HydrophobicContact CG2-CD 4.18Å; T56-K60 WeakPolarHBondContact O-CB 3.32Å; T56-K60 VanDerWaalsContact O-CG 3.28Å; T56-K60 WeakPolarHBondContact O-CG 3.3Å; T56-K60 PolarHBondContact O-N 3.3Å |
| 57 | L | 35.4 | Very low | 37.2 | Very low | 101 Ų | 101 | 116.7 Ų | 116.7 | 53% | 0.529 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -70.7 | -42.2 | 177.2 | -144.1 | 134.1 | 0 | 0 | 0 | 111.6 | A53 M54 S59 K60 M61 | A53-L57 WeakPolarHBondContact O-CB 3.39Å; A53-L57 PolarHBondContact O-N 3.06Å; M54-L57 PolarHBondContact O-N 3.39Å; L57-S59 PolarHBondContact O-N 2.97Å; L57-K60 PolarHBondContact O-N 3.34Å; L57-M61 HydrophobicContact CD2-CE 3.95Å; L57-M61 HydrophobicContact CD2-SD 4.27Å; L57-M61 WeakPolarHBondContact O-CB 3.16Å; L57-M61 PolarHBondContact O-N 2.99Å |
| 58 | R | 37.8 | Very low | 37.1 | Very low | 189 Ų | 189 | 116.6 Ų | 116.6 | 71% | 0.713 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.8 | -40.3 | 171.6 | -77.9 | -175 | -174.5 | -159 | 3 | 112.7 | M54 G62 | M54-R58 WeakPolarHBondContact O-CB 3.49Å; M54-R58 WeakPolarHBondContact O-CG 3.41Å; M54-R58 PolarHBondContact O-N 3.05Å; R58-G62 PolarHBondContact O-N 3.24Å |
| 59 | S | 41.1 | Very low | 37.3 | Very low | 60 Ų | 60 | 114.6 Ų | 114.6 | 42% | 0.42 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.7 | -40.8 | 176.6 | 179.3 | 0 | 0 | 0 | 0 | 112 | K55 T56 L57 G62 K63 | K55-S59 VanDerWaalsContact O-CB 3.25Å; K55-S59 WeakPolarHBondContact O-CB 3.5Å; K55-S59 PolarHBondContact O-N 3.49Å; T56-S59 PolarHBondContact O-N 3.35Å; L57-S59 PolarHBondContact O-N 2.97Å; S59-G62 PolarHBondContact O-N 3.01Å; S59-K63 WeakPolarHBondContact O-CG 3.37Å; S59-K63 PolarHBondContact O-N 3.03Å |
| 60 | K | 40.8 | Very low | 37.2 | Very low | 145 Ų | 145 | 112.2 Ų | 112.2 | 63% | 0.63 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.2 | -39.4 | 175.6 | -73.7 | 174.7 | 179.6 | 178.9 | 0 | 112.2 | T56 L57 K63 W64 | T56-K60 HydrophobicContact CG2-CD 4.18Å; T56-K60 WeakPolarHBondContact O-CB 3.32Å; T56-K60 VanDerWaalsContact O-CG 3.28Å; T56-K60 WeakPolarHBondContact O-CG 3.3Å; T56-K60 PolarHBondContact O-N 3.3Å; L57-K60 PolarHBondContact O-N 3.34Å; K60-K63 PolarHBondContact O-N 3.48Å; K60-W64 WeakPolarHBondContact O-CB 3.34Å; K60-W64 PolarHBondContact O-N 3.34Å |
| 61 | M | 36.9 | Very low | 36.7 | Very low | 99 Ų | 99 | 117 Ų | 117 | 49% | 0.488 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.1 | -40.2 | 172.5 | -131.8 | 102.3 | 95.9 | 0 | 0 | 111.7 | L57 K63 W64 C65 | L57-M61 HydrophobicContact CD2-CE 3.95Å; L57-M61 HydrophobicContact CD2-SD 4.27Å; L57-M61 WeakPolarHBondContact O-CB 3.16Å; L57-M61 PolarHBondContact O-N 2.99Å; M61-K63 VanDerWaalsContact C-N 3.31Å; M61-K63 PolarHBondContact O-N 3.42Å; M61-W64 PolarHBondContact O-N 2.66Å; M61-C65 PolarHBondContact O-N 3.37Å |
| 62 | G | 36.5 | Very low | 36.3 | Very low | 27 Ų | 27 | 118.6 Ų | 118.6 | 28% | 0.278 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70 | -23.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R58 S59 R66 | R58-G62 PolarHBondContact O-N 3.24Å; S59-G62 PolarHBondContact O-N 3.01Å; G62-R66 VanDerWaalsContact O-CG 3.3Å; G62-R66 WeakPolarHBondContact O-CG 3.26Å; G62-R66 PolarHBondContact O-NE 3.37Å |
| 63 | K | 39.1 | Very low | 35.9 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 61% | 0.609 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -81.7 | -35.7 | 170.4 | -73.6 | 175.6 | -175.4 | -175.4 | 0 | 111.8 | S59 K60 M61 R66 H67 | S59-K63 WeakPolarHBondContact O-CG 3.37Å; S59-K63 PolarHBondContact O-N 3.03Å; K60-K63 PolarHBondContact O-N 3.48Å; M61-K63 VanDerWaalsContact C-N 3.31Å; M61-K63 PolarHBondContact O-N 3.42Å; K63-R66 PolarHBondContact O-N 3.26Å; K63-H67 PolarHBondContact O-N 3.22Å |
| 64 | W | 36.1 | Very low | 35.4 | Very low | 180 Ų | 180 | 127.3 Ų | 127.3 | 68% | 0.682 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.9 | -45.9 | 174.2 | -162.5 | 67.9 | 0 | 0 | 0 | 111.8 | K60 M61 R66 H67 C68 | K60-W64 WeakPolarHBondContact O-CB 3.34Å; K60-W64 PolarHBondContact O-N 3.34Å; M61-W64 PolarHBondContact O-N 2.66Å; W64-R66 VanDerWaalsContact C-N 3.32Å; W64-R66 PolarHBondContact O-N 3.31Å; W64-H67 PolarHBondContact O-N 2.82Å; W64-C68 PolarHBondContact O-N 3.34Å; W64-C68 VanDerWaalsContact O-N 3.11Å |
| 65 | C | 35.2 | Very low | 35.6 | Very low | 52 Ų | 52 | 128.1 Ų | 128.1 | 35% | 0.351 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -61.8 | -34.3 | 175 | -82.4 | 0 | 0 | 0 | 0 | 113.9 | M61 F69 | M61-C65 PolarHBondContact O-N 3.37Å; C65-F69 PolarHBondContact O-N 3.17Å |
| 66 | R | 33.1 | Very low | 35.2 | Very low | 204 Ų | 204 | 125.2 Ų | 125.2 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -75.1 | -25.3 | 178.8 | -72.4 | 177.1 | -146 | -111 | 4.1 | 113.4 | G62 K63 W64 | G62-R66 VanDerWaalsContact O-CG 3.3Å; G62-R66 WeakPolarHBondContact O-CG 3.26Å; G62-R66 PolarHBondContact O-NE 3.37Å; K63-R66 PolarHBondContact O-N 3.26Å; W64-R66 VanDerWaalsContact C-N 3.32Å; W64-R66 PolarHBondContact O-N 3.31Å |
| 67 | H | 38.2 | Very low | 34.9 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 76% | 0.764 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -89.4 | -25.3 | -179.6 | -157.7 | -59.4 | 0 | 0 | 0 | 112.5 | K63 W64 | K63-H67 PolarHBondContact O-N 3.22Å; W64-H67 PolarHBondContact O-N 2.82Å |
| 68 | C | 34.3 | Very low | 34.6 | Very low | 64 Ų | 64 | 133.1 Ų | 133.1 | 43% | 0.432 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -88 | -18.5 | 177.4 | -66.3 | 0 | 0 | 0 | 0 | 114 | W64 | W64-C68 PolarHBondContact O-N 3.34Å; W64-C68 VanDerWaalsContact O-N 3.11Å |
| 69 | F | 33.4 | Very low | 34.4 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 50% | 0.496 | 69% | 0.688 | S | S | . | * | trans | -142 | 92.5 | -179 | -64.7 | -81.2 | 0 | 0 | 0 | 112.2 | C65 W71 | C65-F69 PolarHBondContact O-N 3.17Å; F69-W71 PolarHBondContact O-N 2.98Å; F69-W71 VanDerWaalsContact O-N 3.16Å | ||
| 70 | P | 33 | Very low | 34 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 83% | 0.825 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -9.8 | -178.6 | -19.6 | 32.2 | 0 | 0 | 0 | 115.1 | ||
| 71 | W | 30.5 | Very low | 33.5 | Very low | 251 Ų | 251 | 132.1 Ų | 132.1 | 95% | 0.951 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 2.7 | -166.9 | -120.2 | -28.9 | 0 | 0 | 0 | 117.2 | F69 R73 | F69-W71 PolarHBondContact O-N 2.98Å; F69-W71 VanDerWaalsContact O-N 3.16Å; W71-R73 PolarHBondContact O-N 3.28Å; W71-R73 VanDerWaalsContact O-N 3.11Å |
| 72 | C | 31.6 | Very low | 33.3 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | trans | -87.4 | 74.7 | 175 | -68.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 73 | R | 31.4 | Very low | 33 | Very low | 256 Ų | 256 | 138.6 Ų | 138.6 | 97% | 0.966 | 76% | 0.759 | S | S | * | * | trans | -90.5 | 102.2 | 156.3 | -101.6 | -170.4 | 179.9 | -138.3 | 3.3 | 108.1 | W71 | W71-R73 PolarHBondContact O-N 3.28Å; W71-R73 VanDerWaalsContact O-N 3.11Å | ||
| 74 | G | 28 | Very low | 33.1 | Very low | 74 Ų | 74 | 135.3 Ų | 135.3 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | trans | -145.2 | 105.1 | 171 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 75 | S | 39.3 | Very low | 32.8 | Very low | 131 Ų | 131 | 134 Ų | 134 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | trans | -71.2 | 119.9 | 174.6 | 51.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 76 | G | 27.8 | Very low | 32.9 | Very low | 70 Ų | 70 | 141.2 Ų | 141.2 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | -149.9 | 98.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 77 | K | 32.9 | Very low | 33.2 | Very low | 216 Ų | 216 | 137 Ų | 137 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | trans | -67.8 | 133.5 | 167 | -70 | 177.7 | 177.1 | 177.2 | 0 | 108 | ||||
| 78 | S | 29.6 | Very low | 33.5 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -137.5 | 115.8 | 153.8 | 48.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 79 | N | 34.2 | Very low | 33.9 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | -74.4 | 126.5 | 163.9 | -78.9 | -12.8 | 0 | 0 | 0 | 107.8 | ||||
| 80 | V | 32.8 | Very low | 34.1 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -143.3 | 123.1 | 148 | -172.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 81 | G | 28.7 | Very low | 34.3 | Very low | 69 Ų | 69 | 131 Ų | 131 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | -76.4 | 178.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 82 | T | 34.2 | Very low | 34.6 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | trans | -69.6 | 118.3 | 179.4 | 48.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 83 | S | 29.6 | Very low | 34.9 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 81% | 0.811 | 73% | 0.733 | S | S | * | * | trans | -156.8 | 136 | 148.1 | 48.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 84 | G | 41.3 | Very low | 35.1 | Very low | 70 Ų | 70 | 115.5 Ų | 115.5 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | trans | -72.7 | 133.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 85 | D | 29.7 | Very low | 35.6 | Very low | 152 Ų | 152 | 121 Ų | 121 | 81% | 0.813 | 71% | 0.71 | S | S | * | * | trans | -165.1 | 126.9 | 133.5 | -85.7 | -31.8 | 0 | 0 | 0 | 105.8 | D87 | D85-D87 VanDerWaalsContact C-N 3.26Å; D85-D87 PolarHBondContact O-N 3.06Å | ||
| 86 | H | 38.2 | Very low | 35.6 | Very low | 205 Ų | 205 | 117.5 Ų | 117.5 | 95% | 0.949 | 69% | 0.686 | S | S | * | * | trans | -75 | 79.9 | -176.5 | -86.1 | -68.3 | 0 | 0 | 0 | 110.4 | D88 | H86-D88 PolarHBondContact O-N 3.06Š| ||
| 87 | D | 37.8 | Very low | 36 | Very low | 116 Ų | 116 | 120.5 Ų | 120.5 | 62% | 0.62 | 68% | 0.679 | S | S | * | * | trans | -79.9 | 110.6 | 170 | -97.6 | -13.4 | 0 | 0 | 0 | 110.8 | D85 S89 A90 | D85-D87 VanDerWaalsContact C-N 3.26Å; D85-D87 PolarHBondContact O-N 3.06Å; D87-S89 PolarHBondContact O-N 3.3Å; D87-A90 PolarHBondContact O-N 2.97Å | ||
| 88 | D | 45.6 | Very low | 36 | Very low | 98 Ų | 98 | 115.5 Ų | 115.5 | 52% | 0.524 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -54.5 | -9.8 | 164.7 | -170 | 39.7 | 0 | 0 | 0 | 112.5 | H86 K92 | H86-D88 PolarHBondContact O-N 3.06Å; D88-K92 WeakPolarHBondContact O-CB 3.48Å; D88-K92 WeakPolarHBondContact O-CG 3.27Å; D88-K92 PolarHBondContact O-N 3.37Å; D88-K92 VanDerWaalsContact OD2-CE 3.25Å; D88-K92 WeakPolarHBondContact OD2-CE 3.42Å; D88-K92 IonicContact OD2-NZ 2.78Å; D88-K92 PolarHBondContact OD2-NZ 3.27Å |
| 89 | S | 41.6 | Very low | 36.4 | Very low | 63 Ų | 63 | 112.1 Ų | 112.1 | 44% | 0.441 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -64.6 | -34.6 | 171.5 | 86.6 | 0 | 0 | 0 | 0 | 112.6 | D87 T93 | D87-S89 PolarHBondContact O-N 3.3Å; S89-T93 WeakPolarHBondContact O-CB 3.38Å; S89-T93 PolarHBondContact O-N 2.93Å; S89-T93 PolarHBondContact O-OG1 3.24Å |
| 90 | A | 38.1 | Very low | 36.6 | Very low | 60 Ų | 60 | 111.5 Ų | 111.5 | 50% | 0.496 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -72.3 | -38.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D87 T93 L94 | D87-A90 PolarHBondContact O-N 2.97Å; A90-T93 PolarHBondContact O-N 3.35Å; A90-L94 WeakPolarHBondContact O-CB 3.39Å; A90-L94 PolarHBondContact O-N 3.09Å |
| 91 | M | 37.6 | Very low | 36.4 | Very low | 122 Ų | 122 | 113.6 Ų | 113.6 | 60% | 0.601 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.5 | -39.1 | 175.5 | -117.8 | -62.1 | -147.8 | 0 | 0 | 111.8 | T93 L94 R95 | M91-T93 VanDerWaalsContact C-N 3.32Å; M91-L94 PolarHBondContact O-N 3.38Å; M91-R95 VanDerWaalsContact O-CB 3.27Å; M91-R95 WeakPolarHBondContact O-CB 3.4Å; M91-R95 PolarHBondContact O-N 3.09Å |
| 92 | K | 36.6 | Very low | 36.6 | Very low | 132 Ų | 132 | 113.7 Ų | 113.7 | 57% | 0.574 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.2 | -38 | 170 | -78.8 | 170.5 | 174.3 | 149.8 | 0 | 112 | D88 S96 | D88-K92 WeakPolarHBondContact O-CB 3.48Å; D88-K92 WeakPolarHBondContact O-CG 3.27Å; D88-K92 PolarHBondContact O-N 3.37Å; D88-K92 VanDerWaalsContact OD2-CE 3.25Å; D88-K92 WeakPolarHBondContact OD2-CE 3.42Å; D88-K92 IonicContact OD2-NZ 2.78Å; D88-K92 PolarHBondContact OD2-NZ 3.27Å; K92-S96 WeakPolarHBondContact O-CB 3.4Å; K92-S96 PolarHBondContact O-N 3.09Å |
| 93 | T | 38.5 | Very low | 36.5 | Very low | 64 Ų | 64 | 110 Ų | 110 | 39% | 0.393 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -71.5 | -36.3 | 176.1 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | S89 A90 M91 K97 | S89-T93 WeakPolarHBondContact O-CB 3.38Å; S89-T93 PolarHBondContact O-N 2.93Å; S89-T93 PolarHBondContact O-OG1 3.24Å; A90-T93 PolarHBondContact O-N 3.35Å; M91-T93 VanDerWaalsContact C-N 3.32Å; T93-K97 HydrophobicContact CG2-CD 4.01Å; T93-K97 HydrophobicContact CG2-CG 4.45Å; T93-K97 VanDerWaalsContact O-CB 3.23Å; T93-K97 WeakPolarHBondContact O-CB 3.48Å; T93-K97 WeakPolarHBondContact O-CG 3.24Å; T93-K97 PolarHBondContact O-N 3.38Å |
| 94 | L | 34.9 | Very low | 36.8 | Very low | 103 Ų | 103 | 113 Ų | 113 | 54% | 0.539 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.7 | -42.7 | 172.9 | -114.2 | 146.9 | 0 | 0 | 0 | 111.6 | A90 M91 K97 M98 | A90-L94 WeakPolarHBondContact O-CB 3.39Å; A90-L94 PolarHBondContact O-N 3.09Å; M91-L94 PolarHBondContact O-N 3.38Å; L94-K97 PolarHBondContact O-N 3.41Å; L94-M98 HydrophobicContact CD2-SD 4.35Å; L94-M98 WeakPolarHBondContact O-CB 3.33Å; L94-M98 PolarHBondContact O-N 3.44Å |
| 95 | R | 39.3 | Very low | 36.4 | Very low | 189 Ų | 189 | 113.8 Ų | 113.8 | 71% | 0.713 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.2 | -37.6 | 174.6 | -162.9 | -177.7 | -80.1 | -125.2 | 4.6 | 111.6 | M91 G99 | M91-R95 VanDerWaalsContact O-CB 3.27Å; M91-R95 WeakPolarHBondContact O-CB 3.4Å; M91-R95 PolarHBondContact O-N 3.09Å; R95-G99 PolarHBondContact O-N 2.94Å |
| 96 | S | 38.8 | Very low | 36.3 | Very low | 58 Ų | 58 | 113.6 Ų | 113.6 | 41% | 0.406 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.8 | -41.4 | 171.8 | 168.9 | 0 | 0 | 0 | 0 | 112.4 | K92 G99 K100 | K92-S96 WeakPolarHBondContact O-CB 3.4Å; K92-S96 PolarHBondContact O-N 3.09Å; S96-G99 PolarHBondContact O-N 3.26Å; S96-K100 WeakPolarHBondContact O-CB 3.49Å; S96-K100 WeakPolarHBondContact O-CG 3.34Å; S96-K100 PolarHBondContact O-N 3.02Å |
| 97 | K | 36.1 | Very low | 36 | Very low | 133 Ų | 133 | 109.9 Ų | 109.9 | 58% | 0.578 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -73.1 | -35.9 | 175.9 | -75 | 174.2 | -179.8 | 176.7 | 0 | 112.1 | T93 L94 G99 K100 W101 | T93-K97 HydrophobicContact CG2-CD 4.01Å; T93-K97 HydrophobicContact CG2-CG 4.45Å; T93-K97 VanDerWaalsContact O-CB 3.23Å; T93-K97 WeakPolarHBondContact O-CB 3.48Å; T93-K97 WeakPolarHBondContact O-CG 3.24Å; T93-K97 PolarHBondContact O-N 3.38Å; L94-K97 PolarHBondContact O-N 3.41Å; K97-G99 VanDerWaalsContact C-N 3.34Å; K97-K100 PolarHBondContact O-N 3.42Å; K97-W101 WeakPolarHBondContact O-CB 3.31Å; K97-W101 PolarHBondContact O-N 3.21Å |
| 98 | M | 34 | Very low | 35.9 | Very low | 111 Ų | 111 | 109.9 Ų | 109.9 | 55% | 0.547 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.7 | -39.8 | 170.1 | -129.1 | 95.1 | 144.9 | 0 | 0 | 110.9 | L94 W101 C102 | L94-M98 HydrophobicContact CD2-SD 4.35Å; L94-M98 WeakPolarHBondContact O-CB 3.33Å; L94-M98 PolarHBondContact O-N 3.44Å; M98-W101 PolarHBondContact O-N 3.25Å; M98-C102 PolarHBondContact O-N 3.33Å; M98-C102 PolarHBondContact O-SG 2.95Å |
| 99 | G | 36.1 | Very low | 35.5 | Very low | 42 Ų | 42 | 110.4 Ų | 110.4 | 43% | 0.433 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.5 | -42.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R95 S96 K97 W101 C103 | R95-G99 PolarHBondContact O-N 2.94Å; S96-G99 PolarHBondContact O-N 3.26Å; K97-G99 VanDerWaalsContact C-N 3.34Å; G99-W101 VanDerWaalsContact C-N 3.35Å; G99-W101 PolarHBondContact O-N 3.26Å; G99-C103 PolarHBondContact O-N 3.01Å; G99-C103 PolarHBondContact O-SG 2.96Å |
| 100 | K | 38.4 | Very low | 35 | Very low | 149 Ų | 149 | 118.1 Ų | 118.1 | 65% | 0.648 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.2 | -26 | 174 | -75.8 | 176.4 | -179.5 | -179.6 | 0 | 114.1 | S96 K97 C103 | S96-K100 WeakPolarHBondContact O-CB 3.49Å; S96-K100 WeakPolarHBondContact O-CG 3.34Å; S96-K100 PolarHBondContact O-N 3.02Å; K97-K100 PolarHBondContact O-N 3.42Å; K100-C103 VanDerWaalsContact CA-SG 3.52Å; K100-C103 VanDerWaalsContact O-CB 3.24Å; K100-C103 WeakPolarHBondContact O-CB 3.42Å; K100-C103 PolarHBondContact O-SG 3.36Å |
| 101 | W | 28.9 | Very low | 34.5 | Very low | 186 Ų | 186 | 118.6 Ų | 118.6 | 71% | 0.705 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -86.9 | -33.2 | 177.3 | -108.1 | 42.1 | 0 | 0 | 0 | 113.3 | K97 M98 G99 C103 H104 | K97-W101 WeakPolarHBondContact O-CB 3.31Å; K97-W101 PolarHBondContact O-N 3.21Å; M98-W101 PolarHBondContact O-N 3.25Å; G99-W101 VanDerWaalsContact C-N 3.35Å; G99-W101 PolarHBondContact O-N 3.26Å; W101-C103 PolarHBondContact O-N 3.38Å; W101-H104 PolarHBondContact O-N 3.15Å; W101-H104 VanDerWaalsContact O-N 3.12Å |
| 102 | C | 33.6 | Very low | 34.6 | Very low | 72 Ų | 72 | 118.9 Ų | 118.9 | 49% | 0.486 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -61.8 | -21.5 | 168.6 | -76.8 | 0 | 0 | 0 | 0 | 112.5 | M98 H104 C105 F106 | M98-C102 PolarHBondContact O-N 3.33Å; M98-C102 PolarHBondContact O-SG 2.95Å; C102-H104 PolarHBondContact O-N 2.83Å; C102-C105 PolarHBondContact O-N 3.18Å; C102-F106 PolarHBondContact O-N 2.84Å |
| 103 | C | 32.4 | Very low | 34.2 | Very low | 68 Ų | 68 | 115.1 Ų | 115.1 | 46% | 0.459 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.7 | -22.1 | 173.2 | -57.7 | 0 | 0 | 0 | 0 | 113.8 | G99 K100 W101 | G99-C103 PolarHBondContact O-N 3.01Å; G99-C103 PolarHBondContact O-SG 2.96Å; K100-C103 VanDerWaalsContact CA-SG 3.52Å; K100-C103 VanDerWaalsContact O-CB 3.24Å; K100-C103 WeakPolarHBondContact O-CB 3.42Å; K100-C103 PolarHBondContact O-SG 3.36Å; W101-C103 PolarHBondContact O-N 3.38Å |
| 104 | H | 35 | Very low | 33.8 | Very low | 180 Ų | 180 | 122.6 Ų | 122.6 | 83% | 0.833 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -13.1 | -176.6 | -125.9 | 26.2 | 0 | 0 | 0 | 113.7 | W101 C102 | W101-H104 PolarHBondContact O-N 3.15Å; W101-H104 VanDerWaalsContact O-N 3.12Å; C102-H104 PolarHBondContact O-N 2.83Å |
| 105 | C | 33.5 | Very low | 33.7 | Very low | 86 Ų | 86 | 121.5 Ų | 121.5 | 58% | 0.581 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -4.5 | 177.5 | -62.6 | 0 | 0 | 0 | 0 | 113.9 | C102 | C102-C105 PolarHBondContact O-N 3.18Š|
| 106 | F | 27.8 | Very low | 33.3 | Very low | 148 Ų | 148 | 122.6 Ų | 122.6 | 65% | 0.649 | 67% | 0.673 | S | S | * | * | trans | -123.3 | 96.5 | 171.8 | -81.2 | -85.8 | 0 | 0 | 0 | 110.6 | C102 C108 | C102-F106 PolarHBondContact O-N 2.84Å; F106-C108 PolarHBondContact O-N 2.91Å | ||
| 107 | P | 31 | Very low | 33.4 | Very low | 127 Ų | 127 | 122.7 Ų | 122.7 | 83% | 0.825 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 5.4 | -178 | -20 | 32.5 | 0 | 0 | 0 | 116.1 | ||
| 108 | C | 35.9 | Very low | 33.5 | Very low | 116 Ų | 116 | 118.9 Ų | 118.9 | 78% | 0.784 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | 9.1 | -173.8 | -67.4 | 0 | 0 | 0 | 0 | 115.1 | F106 | F106-C108 PolarHBondContact O-N 2.91Š|
| 109 | C | 37.4 | Very low | 33.8 | Very low | 110 Ų | 110 | 119.6 Ų | 119.6 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -127.8 | 56.4 | 176.3 | -73.3 | 0 | 0 | 0 | 0 | 112.1 | ||
| 110 | R | 30.5 | Very low | 34.6 | Very low | 224 Ų | 224 | 123.6 Ų | 123.6 | 85% | 0.845 | 68% | 0.684 | S | S | * | * | trans | -177.3 | 91.9 | 150.7 | -105.8 | 172.3 | -176.2 | -123.5 | -1.6 | 109.7 | S112 | R110-S112 PolarHBondContact O-N 3.07Å; R110-S112 VanDerWaalsContact O-N 3.16Å | ||
| 111 | G | 28.1 | Very low | 35.2 | Very low | 70 Ų | 70 | 117.5 Ų | 117.5 | 72% | 0.722 | 66% | 0.664 | S | S | * | * | trans | -73.2 | 94 | 154.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | G113 | G111-G113 PolarHBondContact O-N 3.2Š| ||
| 112 | S | 39.4 | Very low | 36.3 | Very low | 129 Ų | 129 | 115.8 Ų | 115.8 | 90% | 0.902 | 67% | 0.669 | S | S | * | * | trans | -71.7 | 87.2 | 155.2 | 58.1 | 0 | 0 | 0 | 0 | 107.5 | R110 | R110-S112 PolarHBondContact O-N 3.07Å; R110-S112 VanDerWaalsContact O-N 3.16Å | ||
| 113 | G | 28.8 | Very low | 37.8 | Very low | 52 Ų | 52 | 114.8 Ų | 114.8 | 54% | 0.536 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -169 | 137 | 175.6 | 0 | 0 | 0 | 0 | 0 | 104.9 | G111 S115 | G111-G113 PolarHBondContact O-N 3.2Å; G113-S115 PolarHBondContact O-N 2.95Å |
| 114 | K | 30.2 | Very low | 39.5 | Very low | 222 Ų | 222 | 115.1 Ų | 115.1 | 97% | 0.965 | 65% | 0.652 | S | S | * | * | trans | -62.9 | 60.4 | -174 | -61.3 | 173.5 | 176.9 | 176.6 | 0 | 112.7 | ||||
| 115 | S | 33.5 | Very low | 41.3 | Very low | 80 Ų | 80 | 109.5 Ų | 109.5 | 56% | 0.559 | 63% | 0.629 | S | S | * | * | trans | -86.4 | 125.7 | 168.1 | 58 | 0 | 0 | 0 | 0 | 107.3 | G113 V117 | G113-S115 PolarHBondContact O-N 2.95Å; S115-V117 PolarHBondContact O-N 3.31Å; S115-V117 VanDerWaalsContact O-N 3.11Å | ||
| 116 | K | 30.3 | Very low | 43.6 | Very low | 212 Ų | 212 | 107.1 Ų | 107.1 | 92% | 0.922 | 61% | 0.613 | S | S | * | * | trans | -71.3 | 9.1 | 176.5 | -73.3 | -175.8 | 176.1 | 179.7 | 0 | 112.9 | G118 | K116-G118 PolarHBondContact O-N 2.96Š| ||
| 117 | V | 39.9 | Very low | 46.1 | Very low | 59 Ų | 59 | 100.2 Ų | 100.2 | 36% | 0.358 | 58% | 0.583 | S | S | . | * | trans | -89.3 | 104.1 | -175.7 | -173.7 | 0 | 0 | 0 | 0 | 108 | S115 Y344 | S115-V117 PolarHBondContact O-N 3.31Å; S115-V117 VanDerWaalsContact O-N 3.11Å; V117-Y344 HydrophobicContact CG1-CE1 3.74Å; V117-Y344 HydrophobicContact CG2-CE1 4.18Å | ||
| 118 | G | 37.9 | Very low | 48.7 | Very low | 54 Ų | 54 | 94.7 Ų | 94.7 | 56% | 0.557 | 55% | 0.546 | S | S | * | . | trans | -59.4 | 151.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | K116 W120 | K116-G118 PolarHBondContact O-N 2.96Å; G118-W120 PolarHBondContact O-N 2.71Å | ||
| 119 | P | 41.1 | Very low | 50.7 | Low | 126 Ų | 126 | 94.1 Ų | 94.1 | 82% | 0.818 | 53% | 0.533 | S | S | * | . | trans | -52 | 140.7 | 165.5 | -16.2 | 28.2 | 0 | 0 | 0 | 108.9 | G121 | P119-G121 PolarHBondContact O-N 3.02Š| ||
| 120 | W | 53.8 | Low | 52.5 | Low | 125 Ų | 125 | 93.6 Ų | 93.6 | 47% | 0.473 | 52% | 0.52 | S | S | . | . | trans | -40.4 | 104.7 | 173.3 | -63 | 89.6 | 0 | 0 | 0 | 110 | G118 D122 R306 L311 C314 | G118-W120 PolarHBondContact O-N 2.71Å; W120-D122 PolarHBondContact O-N 3.32Å; W120-R306 VanDerWaalsContact CH2-NH1 3.28Å; W120-R306 VanDerWaalsContact CZ3-NH2 3.32Å; W120-L311 HydrophobicContact CH2-CD1 4.18Å; W120-L311 HydrophobicContact CZ3-CD1 3.95Å; W120-C314 HydrophobicContact CH2-CB 3.33Å; W120-C314 HydrophobicContact CZ2-CB 3.42Å; W120-C314 VanDerWaalsContact CZ2-CB 3.42Å | ||
| 121 | G | 49.4 | Very low | 54.9 | Low | 22 Ų | 22 | 85.1 Ų | 85.1 | 23% | 0.227 | 49% | 0.494 | C | S | . | . | trans | -66.7 | 120.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | P119 Y123 Y304 | P119-G121 PolarHBondContact O-N 3.02Å; G121-Y123 VanDerWaalsContact C-N 3.31Å; G121-Y123 PolarHBondContact O-N 3.25Å; G121-Y304 WeakPolarHBondContact CA-OH 3.34Å; G121-Y304 PolarHBondContact N-OH 2.95Å; G121-Y304 PolarHBondContact O-OH 2.82Å | ||
| 122 | D | 53.7 | Low | 57.7 | Low | 149 Ų | 149 | 88.1 Ų | 88.1 | 80% | 0.797 | 48% | 0.483 | S | S | * | . | trans | 29.1 | 54.1 | 158.5 | -50 | -25.8 | 0 | 0 | 0 | 116.1 | W120 D124 | W120-D122 PolarHBondContact O-N 3.32Å; D122-D124 PolarHBondContact O-N 3.22Å | ||
| 123 | Y | 64.2 | Low | 60.1 | Low | 52 Ų | 52 | 82.9 Ų | 82.9 | 20% | 0.204 | 44% | 0.444 | C | S | . | . | trans | -75.9 | 106 | 163.7 | 178.7 | -103.9 | 0 | 0 | 0 | 107.5 | G121 D125 H271 L273 L278 H281 E282 | G121-Y123 VanDerWaalsContact C-N 3.31Å; G121-Y123 PolarHBondContact O-N 3.25Å; Y123-D125 HydrophobicContact CD1-CB 4.44Å; Y123-D125 HydrophobicContact CE1-CB 4.02Å; Y123-H271 HydrophobicContact CD2-CB 4.5Å; Y123-L273 HydrophobicContact CD2-CD1 4.32Å; Y123-L273 HydrophobicContact CE2-CD1 3.67Å; Y123-L278 WeakPolarHBondContact OH-CD1 3.48Å; Y123-H281 AromaticContact CD1-CE1 3.4Å; Y123-H281 VanDerWaalsContact CD1-CE1 3.4Å; Y123-H281 WeakPolarHBondContact CD1-CE1 3.47Å; Y123-H281 AromaticContact CE1-CE1 3.39Å; Y123-H281 WeakPolarHBondContact CE1-CE1 3.36Å; Y123-H281 AromaticContact CE1-ND1 3.68Å; Y123-H281 AromaticContact CG-CE1 3.85Å; Y123-H281 AromaticContact CZ-CE1 3.86Å; Y123-H281 AromaticContact CZ-ND1 3.8Å; Y123-E282 VanDerWaalsContact CE1-OE1 3.23Å; Y123-E282 WeakPolarHBondContact CE1-OE1 3.13Å; Y123-E282 PolarHBondContact OH-OE1 3.31Å | ||
| 124 | D | 68.9 | Low | 62.7 | Low | 74 Ų | 74 | 87.1 Ų | 87.1 | 40% | 0.396 | 45% | 0.45 | S | S | . | . | trans | -90.6 | 104.4 | 178.6 | 178.9 | 20.6 | 0 | 0 | 0 | 109.6 | D122 S126 | D122-D124 PolarHBondContact O-N 3.22Å; D124-S126 PolarHBondContact O-N 2.89Å; D124-S126 WeakPolarHBondContact OD1-CB 3.46Å; D124-S126 PolarHBondContact OD1-N 2.95Å; D124-S126 PolarHBondContact OD1-OG 2.92Å; D124-S126 PolarHBondContact OD2-OG 3.39Å | ||
| 125 | D | 72.7 | Confident | 65.3 | Low | 63 Ų | 63 | 78.5 Ų | 78.5 | 34% | 0.337 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 7 | 176.8 | 68 | 3.3 | 0 | 0 | 0 | 113.3 | Y123 A127 F128 M129 | Y123-D125 HydrophobicContact CD1-CB 4.44Å; Y123-D125 HydrophobicContact CE1-CB 4.02Å; D125-A127 PolarHBondContact O-N 2.84Å; D125-F128 HydrophobicContact CB-CD2 4.46Å; D125-F128 PolarHBondContact O-N 3.1Å; D125-M129 HydrophobicContact CB-CE 4.3Å; D125-M129 PolarHBondContact O-N 3.03Å; D125-M129 WeakPolarHBondContact OD2-CE 3.27Å |
| 126 | S | 80.9 | Confident | 67.6 | Low | 36 Ų | 36 | 83.5 Ų | 83.5 | 25% | 0.252 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -54.7 | -30.4 | -179.4 | 68.6 | 0 | 0 | 0 | 0 | 113.1 | D124 F128 Y238 | D124-S126 PolarHBondContact O-N 2.89Å; D124-S126 WeakPolarHBondContact OD1-CB 3.46Å; D124-S126 PolarHBondContact OD1-N 2.95Å; D124-S126 PolarHBondContact OD1-OG 2.92Å; D124-S126 PolarHBondContact OD2-OG 3.39Å; S126-F128 PolarHBondContact O-N 3.2Å; S126-Y238 PolarHBondContact OG-OH 3.48Å |
| 127 | A | 79.8 | Confident | 69.6 | Low | 3 Ų | 3 | 82.8 Ų | 82.8 | 3% | 0.025 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -57.5 | -30.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D125 Q215 Y238 Y245 | D125-A127 PolarHBondContact O-N 2.84Å; A127-Q215 PolarHBondContact O-NE2 3.23Å; A127-Y238 HydrophobicContact CB-CD1 4.06Å; A127-Y238 HydrophobicContact CB-CD2 3.37Å; A127-Y238 HydrophobicContact CB-CE1 4.26Å; A127-Y238 HydrophobicContact CB-CE2 3.64Å; A127-Y238 HydrophobicContact CB-CG 3.59Å; A127-Y245 WeakPolarHBondContact O-CE1 3.3Å; A127-Y245 PolarHBondContact O-OH 3.3Å |
| 128 | F | 85.2 | Confident | 71.4 | Confident | 11 Ų | 11 | 87.9 Ų | 87.9 | 5% | 0.048 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -100.8 | -29.5 | -174.1 | -56.5 | -75.5 | 0 | 0 | 0 | 113.7 | D125 S126 E130 Y245 Y248 L278 | D125-F128 HydrophobicContact CB-CD2 4.46Å; D125-F128 PolarHBondContact O-N 3.1Å; S126-F128 PolarHBondContact O-N 3.2Å; F128-E130 PolarHBondContact O-N 2.61Å; F128-Y245 AromaticContact CD1-CD1 3.62Å; F128-Y245 HydrophobicContact CD1-CD1 3.62Å; F128-Y245 AromaticContact CD1-CE1 3.58Å; F128-Y245 HydrophobicContact CD1-CE1 3.58Å; F128-Y245 AromaticContact CE1-CD1 3.91Å; F128-Y245 HydrophobicContact CE1-CD1 3.91Å; F128-Y245 AromaticContact CE1-CE1 3.96Å; F128-Y245 HydrophobicContact CE1-CE1 3.96Å; F128-Y245 HydrophobicContact CE1-CG 4.46Å; F128-Y245 HydrophobicContact CG-CE1 4.45Å; F128-Y248 HydrophobicContact CB-CD1 3.71Å; F128-Y248 HydrophobicContact CB-CD2 3.93Å; F128-Y248 HydrophobicContact CB-CE1 3.43Å; F128-Y248 VanDerWaalsContact CB-CE1 3.43Å; F128-Y248 HydrophobicContact CB-CE2 3.66Å; F128-Y248 HydrophobicContact CB-CG 3.96Å; F128-Y248 VanDerWaalsContact CB-CZ 3.4Å; F128-Y248 AromaticContact CD1-CD1 3.79Å; F128-Y248 HydrophobicContact CD1-CD1 3.79Å; F128-Y248 AromaticContact CD1-CD2 3.61Å; F128-Y248 HydrophobicContact CD1-CD2 3.61Å; F128-Y248 HydrophobicContact CD1-CE1 4.39Å; F128-Y248 HydrophobicContact CD1-CE2 4.23Å; F128-Y248 AromaticContact CD1-CG 3.36Å; F128-Y248 HydrophobicContact CD1-CG 3.36Å; F128-Y248 AromaticContact CD2-CD2 3.73Å; F128-Y248 HydrophobicContact CD2-CD2 3.73Å; F128-Y248 AromaticContact CD2-CE2 3.77Å; F128-Y248 HydrophobicContact CD2-CE2 3.77Å; F128-Y248 HydrophobicContact CD2-CG 4.34Å; F128-Y248 AromaticContact CE1-CD2 4Å; F128-Y248 HydrophobicContact CE1-CD2 4Å; F128-Y248 AromaticContact CE1-CG 3.89Å; F128-Y248 HydrophobicContact CE1-CG 3.89Å; F128-Y248 HydrophobicContact CE2-CD2 4.1Å; F128-Y248 HydrophobicContact CE2-CE2 4.48Å; F128-Y248 AromaticContact CG-CD1 3.93Å; F128-Y248 HydrophobicContact CG-CD1 3.93Å; F128-Y248 AromaticContact CG-CD2 3.48Å; F128-Y248 HydrophobicContact CG-CD2 3.48Å; F128-Y248 VanDerWaalsContact CG-CD2 3.48Å; F128-Y248 HydrophobicContact CG-CE1 4.07Å; F128-Y248 AromaticContact CG-CE2 3.63Å; F128-Y248 HydrophobicContact CG-CE2 3.63Å; F128-Y248 AromaticContact CG-CG 3.64Å; F128-Y248 HydrophobicContact CG-CG 3.64Å; F128-Y248 AromaticContact CG-CZ 3.93Å; F128-Y248 HydrophobicContact CZ-CD2 4.23Å; F128-L278 HydrophobicContact CE1-CD2 4.34Å; F128-L278 HydrophobicContact CE2-CD1 4.43Å; F128-L278 HydrophobicContact CZ-CD1 4.22Å; F128-L278 HydrophobicContact CZ-CD2 3.98Å |
| 129 | M | 78.1 | Confident | 73.2 | Confident | 103 Ų | 103 | 86.9 Ų | 86.9 | 51% | 0.507 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -73.8 | -21.2 | -170.7 | -68.3 | -62.2 | 168.9 | 0 | 0 | 115.6 | D125 P131 Y248 | D125-M129 HydrophobicContact CB-CE 4.3Å; D125-M129 PolarHBondContact O-N 3.03Å; D125-M129 WeakPolarHBondContact OD2-CE 3.27Å; M129-P131 WeakPolarHBondContact O-CD 3.44Å; M129-Y248 WeakPolarHBondContact CE-OH 3.48Å |
| 130 | E | 76.4 | Confident | 75.3 | Confident | 100 Ų | 100 | 81 Ų | 81 | 47% | 0.467 | 38% | 0.377 | S | S | . | . | trans | -113.7 | 74.2 | -179.7 | -65.5 | -174.2 | 177.6 | 0 | 0 | 111.9 | F128 H134 | F128-E130 PolarHBondContact O-N 2.61Å; E130-H134 IonicContact OE2-CE1 3.56Å; E130-H134 IonicContact OE2-ND1 3.12Å | ||
| 131 | P | 80.1 | Confident | 76.9 | Confident | 46 Ų | 46 | 78.1 Ų | 78.1 | 30% | 0.299 | 37% | 0.371 | S | S | . | . | trans | -70.5 | -38.3 | -172.9 | 26.8 | -34.4 | 0 | 0 | 0 | 112.1 | M129 K212 Q215 C216 | M129-P131 WeakPolarHBondContact O-CD 3.44Å; P131-K212 PolarHBondContact O-NZ 2.97Å; P131-Q215 HydrophobicContact CB-CG 3.92Å; P131-Q215 WeakPolarHBondContact CB-O 3.45Å; P131-C216 PolarHBondContact O-SG 2.9Å | ||
| 132 | R | 87.9 | Confident | 78.8 | Confident | 133 Ų | 133 | 84.1 Ų | 84.1 | 50% | 0.502 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -85.3 | 149.5 | -179.2 | -65.1 | -172.3 | -176 | -86.9 | -7.5 | 111.4 | E218 | R132-E218 IonicContact NH1-OE1 3.69Å; R132-E218 IonicContact NH2-OE1 2.66Å |
| 133 | Y | 88.9 | Confident | 80.6 | Confident | 19 Ų | 19 | 77.2 Ų | 77.2 | 8% | 0.075 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 139.4 | 171.4 | -74.1 | -63.6 | 0 | 0 | 0 | 111.2 | W148 R174 H178 L179 A182 D203 K212 | Y133-W148 HydrophobicContact CD2-CZ3 4.16Å; Y133-W148 HydrophobicContact CG-CZ3 4.4Å; Y133-W148 VanDerWaalsContact O-CH2 3.29Å; Y133-W148 WeakPolarHBondContact O-CH2 3.24Å; Y133-R174 HydrophobicContact CE1-CG 3.97Å; Y133-H178 HydrophobicContact CE2-CB 4.13Å; Y133-H178 PolarHBondContact OH-CD2 3.04Å; Y133-L179 HydrophobicContact CD2-CD2 3.95Å; Y133-L179 HydrophobicContact CE2-CD2 4.34Å; Y133-L179 HydrophobicContact CG-CD2 4.49Å; Y133-A182 HydrophobicContact CD2-CB 3.64Å; Y133-A182 HydrophobicContact CE2-CB 3.74Å; Y133-D203 VanDerWaalsContact CE1-OD2 3.22Å; Y133-D203 WeakPolarHBondContact CE1-OD2 3.13Å; Y133-D203 PolarHBondContact OH-OD2 3Å; Y133-K212 HydrophobicContact CE1-CD 4.31Å; Y133-K212 HydrophobicContact CE2-CD 4.31Å; Y133-K212 VanDerWaalsContact CE2-CE 3.49Å; Y133-K212 HydrophobicContact CE2-CG 4.14Å; Y133-K212 WeakPolarHBondContact OH-CG 3.43Å |
| 134 | H | 84.4 | Confident | 81.9 | Confident | 141 Ų | 141 | 74.9 Ų | 74.9 | 65% | 0.653 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -84.5 | 117.4 | 162.7 | -64.5 | 97.5 | 0 | 0 | 0 | 108.3 | E130 R174 | E130-H134 IonicContact OE2-CE1 3.56Å; E130-H134 IonicContact OE2-ND1 3.12Å; H134-R174 PolarHBondContact O-NH1 3.23Å |
| 135 | V | 83.6 | Confident | 83 | Confident | 40 Ų | 40 | 75 Ų | 75 | 24% | 0.242 | 34% | 0.339 | C | S | . | . | trans | -130.5 | 128.6 | -174.5 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | L140 W148 L179 | V135-L140 HydrophobicContact CG1-CD1 3.44Å; V135-L140 VanDerWaalsContact CG1-CD1 3.44Å; V135-L140 HydrophobicContact CG1-CD2 3.83Å; V135-L140 HydrophobicContact CG1-CG 3.47Å; V135-L140 VanDerWaalsContact CG1-CG 3.47Å; V135-W148 HydrophobicContact CB-CH2 4.25Å; V135-W148 HydrophobicContact CB-CZ2 4.02Å; V135-W148 HydrophobicContact CG2-CD2 4.09Å; V135-W148 HydrophobicContact CG2-CE3 3.84Å; V135-W148 HydrophobicContact CG2-CH2 3.46Å; V135-W148 VanDerWaalsContact CG2-CH2 3.46Å; V135-W148 HydrophobicContact CG2-CZ2 3.73Å; V135-W148 HydrophobicContact CG2-CZ3 3.53Å; V135-L179 HydrophobicContact CG2-CD2 4.36Å | ||
| 136 | R | 81.3 | Confident | 83.8 | Confident | 186 Ų | 186 | 72.2 Ų | 72.2 | 70% | 0.702 | 33% | 0.325 | S | S | * | . | trans | -96.2 | 146.3 | 166.7 | -60.3 | -178 | 174.5 | 178.5 | -0.8 | 109.9 | E138 D139 | R136-E138 PolarHBondContact O-N 2.87Å; R136-D139 PolarHBondContact O-N 3.3Å; R136-D139 VanDerWaalsContact O-N 3.09Å | ||
| 137 | R | 72.9 | Confident | 84.4 | Confident | 196 Ų | 196 | 70.5 Ų | 70.5 | 74% | 0.74 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -60.5 | -31.5 | -173.2 | -161.5 | 179.8 | -173.6 | -175.8 | 0.8 | 113 | D139 W149 | R137-D139 VanDerWaalsContact C-N 3.33Å; R137-W149 HydrophobicContact CG-CH2 4.28Å; R137-W149 HydrophobicContact CG-CZ2 4.48Å |
| 138 | E | 78.3 | Confident | 85 | Confident | 167 Ų | 167 | 72.5 Ų | 72.5 | 78% | 0.78 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -76.2 | -16.5 | -179.6 | -66 | 138 | -144 | 0 | 0 | 113.7 | R136 | R136-E138 PolarHBondContact O-N 2.87Š|
| 139 | D | 76.4 | Confident | 85.2 | Confident | 32 Ų | 32 | 77.6 Ų | 77.6 | 17% | 0.171 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -88.3 | -11.4 | -173.9 | -70.2 | -33.6 | 0 | 0 | 0 | 113.8 | R136 R137 K171 | R136-D139 PolarHBondContact O-N 3.3Å; R136-D139 VanDerWaalsContact O-N 3.09Å; R137-D139 VanDerWaalsContact C-N 3.33Å; D139-K171 IonicContact OD1-NZ 3.15Å; D139-K171 PolarHBondContact OD1-NZ 2.86Å |
| 140 | L | 85.1 | Confident | 85.6 | Confident | 3 Ų | 3 | 73.9 Ų | 73.9 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | trans | -106.6 | 133.4 | -174.6 | -63.7 | -165.6 | 0 | 0 | 0 | 112.1 | V135 H144 R145 W148 D170 L179 | V135-L140 HydrophobicContact CG1-CD1 3.44Å; V135-L140 VanDerWaalsContact CG1-CD1 3.44Å; V135-L140 HydrophobicContact CG1-CD2 3.83Å; V135-L140 HydrophobicContact CG1-CG 3.47Å; V135-L140 VanDerWaalsContact CG1-CG 3.47Å; L140-H144 HydrophobicContact CB-CB 3.91Å; L140-H144 HydrophobicContact CD1-CB 4.32Å; L140-H144 HydrophobicContact CD2-CB 3.98Å; L140-H144 HydrophobicContact CG-CB 4.29Å; L140-R145 HydrophobicContact CB-CG 3.55Å; L140-R145 HydrophobicContact CD1-CG 4.2Å; L140-R145 PolarHBondContact O-NH1 3.32Å; L140-W148 HydrophobicContact CD1-CB 3.93Å; L140-W148 HydrophobicContact CD1-CG 4.18Å; L140-D170 HydrophobicContact CD2-CB 4.47Å; L140-D170 WeakPolarHBondContact CD2-OD2 3.5Å; L140-L179 HydrophobicContact CD1-CD1 4.08Å; L140-L179 HydrophobicContact CD2-CD1 3.82Å | ||
| 141 | D | 87.1 | Confident | 85.9 | Confident | 64 Ų | 64 | 78.3 Ų | 78.3 | 34% | 0.342 | 35% | 0.345 | S | S | . | . | trans | -71.2 | 173.6 | 167.7 | -71 | -31.4 | 0 | 0 | 0 | 112.1 | L143 H144 R145 K168 | D141-L143 VanDerWaalsContact C-N 3.34Å; D141-L143 PolarHBondContact O-N 2.94Å; D141-H144 PolarHBondContact O-N 3.18Å; D141-R145 VanDerWaalsContact O-CB 3.29Å; D141-R145 WeakPolarHBondContact O-CB 3.48Å; D141-R145 WeakPolarHBondContact O-CG 3.38Å; D141-R145 PolarHBondContact O-N 3.35Å; D141-K168 WeakPolarHBondContact OD2-CD 3.48Å; D141-K168 WeakPolarHBondContact OD2-CE 3.43Å; D141-K168 IonicContact OD2-NZ 2.69Å; D141-K168 PolarHBondContact OD2-NZ 2.94Å | ||
| 142 | K | 88.9 | Confident | 86.1 | Confident | 149 Ų | 149 | 78 Ų | 78 | 65% | 0.648 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -53 | -47.2 | -179.1 | -68.5 | -179.9 | -178.3 | 176.4 | 0 | 112.6 | R145 A146 | K142-R145 WeakPolarHBondContact O-CB 3.31Å; K142-R145 PolarHBondContact O-N 2.81Å; K142-A146 PolarHBondContact O-N 3.23Å |
| 143 | L | 90.7 | Very high | 86 | Confident | 3 Ų | 3 | 74.9 Ų | 74.9 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.7 | -44.9 | -179.8 | -179.7 | 62.6 | 0 | 0 | 0 | 112.1 | D141 R145 A146 A147 L157 L161 T164 A176 | D141-L143 VanDerWaalsContact C-N 3.34Å; D141-L143 PolarHBondContact O-N 2.94Å; L143-R145 VanDerWaalsContact C-N 3.27Å; L143-R145 PolarHBondContact O-N 2.77Å; L143-A146 WeakPolarHBondContact O-CB 3.33Å; L143-A146 PolarHBondContact O-N 3.27Å; L143-A147 WeakPolarHBondContact O-CB 3.48Å; L143-A147 PolarHBondContact O-N 3.2Å; L143-L157 HydrophobicContact CD1-CD1 3.84Å; L143-L161 HydrophobicContact CD1-CD2 3.58Å; L143-L161 HydrophobicContact CD1-CG 3.95Å; L143-L161 HydrophobicContact CD2-CD2 3.56Å; L143-L161 HydrophobicContact CG-CD2 4.22Å; L143-T164 HydrophobicContact CB-CG2 4.31Å; L143-T164 HydrophobicContact CD2-CG2 4.21Å; L143-A176 HydrophobicContact CD2-CB 3.94Å; L143-A176 HydrophobicContact CG-CB 3.79Å |
| 144 | H | 92.4 | Very high | 85.8 | Confident | 3 Ų | 3 | 79.7 Ų | 79.7 | 1% | 0.014 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.5 | -39.8 | 176 | -65.1 | 98.4 | 0 | 0 | 0 | 112.3 | L140 D141 A147 W148 K168 R174 L179 | L140-H144 HydrophobicContact CB-CB 3.91Å; L140-H144 HydrophobicContact CD1-CB 4.32Å; L140-H144 HydrophobicContact CD2-CB 3.98Å; L140-H144 HydrophobicContact CG-CB 4.29Å; D141-H144 PolarHBondContact O-N 3.18Å; H144-A147 PolarHBondContact O-N 3.05Å; H144-W148 VanDerWaalsContact O-CB 3.32Å; H144-W148 WeakPolarHBondContact O-CB 3.5Å; H144-W148 PolarHBondContact O-N 3.2Å; H144-K168 PolarHBondContact CE1-O 3Å; H144-K168 VanDerWaalsContact CE1-O 3.28Å; H144-K168 PolarHBondContact NE2-O 3.31Å; H144-R174 PolarHBondContact NE2-O 3.26Å; H144-R174 VanDerWaalsContact NE2-O 3.15Å; H144-L179 HydrophobicContact CB-CD1 3.53Å; H144-L179 WeakPolarHBondContact O-CD1 3.35Å |
| 145 | R | 90.9 | Very high | 85.8 | Confident | 78 Ų | 78 | 80 Ų | 80 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 173.6 | -84.4 | -167.3 | -55 | -117 | 10.2 | 112.2 | L140 D141 K142 L143 A147 W148 W149 | L140-R145 HydrophobicContact CB-CG 3.55Å; L140-R145 HydrophobicContact CD1-CG 4.2Å; L140-R145 PolarHBondContact O-NH1 3.32Å; D141-R145 VanDerWaalsContact O-CB 3.29Å; D141-R145 WeakPolarHBondContact O-CB 3.48Å; D141-R145 WeakPolarHBondContact O-CG 3.38Å; D141-R145 PolarHBondContact O-N 3.35Å; K142-R145 WeakPolarHBondContact O-CB 3.31Å; K142-R145 PolarHBondContact O-N 2.81Å; L143-R145 VanDerWaalsContact C-N 3.27Å; L143-R145 PolarHBondContact O-N 2.77Å; R145-A147 VanDerWaalsContact C-N 3.3Å; R145-A147 PolarHBondContact O-N 3.49Å; R145-W148 PolarHBondContact O-N 3.37Å; R145-W149 HydrophobicContact CB-CE3 3.78Å; R145-W149 HydrophobicContact CB-CH2 4Å; R145-W149 HydrophobicContact CB-CZ3 3.27Å; R145-W149 VanDerWaalsContact CD-CH2 3.49Å; R145-W149 VanDerWaalsContact CD-CZ3 3.47Å; R145-W149 HydrophobicContact CG-CE3 4.3Å; R145-W149 HydrophobicContact CG-CH2 3.58Å; R145-W149 HydrophobicContact CG-CZ3 3.4Å; R145-W149 PolarHBondContact O-N 3.42Å |
| 146 | A | 91.3 | Very high | 85.9 | Confident | 4 Ų | 4 | 81.2 Ų | 81.2 | 3% | 0.033 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.2 | -45.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K142 L143 W148 G150 V152 L157 M160 | K142-A146 PolarHBondContact O-N 3.23Å; L143-A146 WeakPolarHBondContact O-CB 3.33Å; L143-A146 PolarHBondContact O-N 3.27Å; A146-W148 PolarHBondContact O-N 3.01Å; A146-G150 PolarHBondContact O-N 3.25Å; A146-V152 HydrophobicContact CB-CB 4.27Å; A146-V152 HydrophobicContact CB-CG2 3.64Å; A146-L157 HydrophobicContact CB-CD1 3.99Å; A146-M160 HydrophobicContact CB-SD 4.19Å |
| 147 | A | 93.1 | Very high | 86 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.8 | -35 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | L143 H144 R145 A176 L179 A180 N185 V188 | L143-A147 WeakPolarHBondContact O-CB 3.48Å; L143-A147 PolarHBondContact O-N 3.2Å; H144-A147 PolarHBondContact O-N 3.05Å; R145-A147 VanDerWaalsContact C-N 3.3Å; R145-A147 PolarHBondContact O-N 3.49Å; A147-A176 HydrophobicContact CB-CB 3.91Å; A147-A176 VanDerWaalsContact CB-O 3.26Å; A147-A176 WeakPolarHBondContact CB-O 3.41Å; A147-L179 HydrophobicContact CB-CB 4.33Å; A147-A180 HydrophobicContact CB-CB 4.07Å; A147-A180 VanDerWaalsContact O-CA 3.27Å; A147-A180 WeakPolarHBondContact O-CA 3.42Å; A147-N185 PolarHBondContact O-ND2 2.99Å; A147-V188 HydrophobicContact CB-CG1 4.06Å |
| 148 | W | 91.8 | Very high | 86.6 | Confident | 45 Ų | 45 | 65.5 Ų | 65.5 | 17% | 0.17 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.6 | -44.7 | 177.2 | -179.4 | -98.7 | 0 | 0 | 0 | 112.7 | Y133 V135 L140 H144 R145 A146 L179 N183 N185 | Y133-W148 HydrophobicContact CD2-CZ3 4.16Å; Y133-W148 HydrophobicContact CG-CZ3 4.4Å; Y133-W148 VanDerWaalsContact O-CH2 3.29Å; Y133-W148 WeakPolarHBondContact O-CH2 3.24Å; V135-W148 HydrophobicContact CB-CH2 4.25Å; V135-W148 HydrophobicContact CB-CZ2 4.02Å; V135-W148 HydrophobicContact CG2-CD2 4.09Å; V135-W148 HydrophobicContact CG2-CE3 3.84Å; V135-W148 HydrophobicContact CG2-CH2 3.46Å; V135-W148 VanDerWaalsContact CG2-CH2 3.46Å; V135-W148 HydrophobicContact CG2-CZ2 3.73Å; V135-W148 HydrophobicContact CG2-CZ3 3.53Å; L140-W148 HydrophobicContact CD1-CB 3.93Å; L140-W148 HydrophobicContact CD1-CG 4.18Å; H144-W148 VanDerWaalsContact O-CB 3.32Å; H144-W148 WeakPolarHBondContact O-CB 3.5Å; H144-W148 PolarHBondContact O-N 3.2Å; R145-W148 PolarHBondContact O-N 3.37Å; A146-W148 PolarHBondContact O-N 3.01Å; W148-L179 HydrophobicContact CB-CB 4.46Å; W148-L179 HydrophobicContact CE3-CB 4.08Å; W148-L179 HydrophobicContact CE3-CD2 3.6Å; W148-L179 HydrophobicContact CE3-CG 4.34Å; W148-L179 HydrophobicContact CZ3-CD2 3.92Å; W148-N183 VanDerWaalsContact CZ3-OD1 3.23Å; W148-N183 WeakPolarHBondContact CZ3-OD1 3.39Å; W148-N183 PolarHBondContact O-ND2 3.42Å; W148-N185 PolarHBondContact O-ND2 2.85Å |
| 149 | W | 89.3 | Confident | 86.9 | Confident | 118 Ų | 118 | 61.4 Ų | 61.4 | 45% | 0.447 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -87.1 | -27.2 | -175.6 | -69.8 | -58.4 | 0 | 0 | 0 | 114.4 | R137 R145 K151 | R137-W149 HydrophobicContact CG-CH2 4.28Å; R137-W149 HydrophobicContact CG-CZ2 4.48Å; R145-W149 HydrophobicContact CB-CE3 3.78Å; R145-W149 HydrophobicContact CB-CH2 4Å; R145-W149 HydrophobicContact CB-CZ3 3.27Å; R145-W149 VanDerWaalsContact CD-CH2 3.49Å; R145-W149 VanDerWaalsContact CD-CZ3 3.47Å; R145-W149 HydrophobicContact CG-CE3 4.3Å; R145-W149 HydrophobicContact CG-CH2 3.58Å; R145-W149 HydrophobicContact CG-CZ3 3.4Å; R145-W149 PolarHBondContact O-N 3.42Å; W149-K151 PolarHBondContact O-N 3.04Å |
| 150 | G | 87.6 | Confident | 87.3 | Confident | 25 Ų | 25 | 62.5 Ų | 62.5 | 26% | 0.258 | 30% | 0.297 | S | S | . | . | trans | 68.6 | -13.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | A146 V152 N185 | A146-G150 PolarHBondContact O-N 3.25Å; G150-V152 PolarHBondContact O-N 3.19Å; G150-V152 VanDerWaalsContact O-N 3.08Å; G150-N185 VanDerWaalsContact CA-CG 3.45Å; G150-N185 WeakPolarHBondContact CA-OD1 3.33Å; G150-N185 PolarHBondContact N-ND2 3.34Å | ||
| 151 | K | 82.1 | Confident | 87.2 | Confident | 193 Ų | 193 | 63.2 Ų | 63.2 | 84% | 0.839 | 30% | 0.3 | S | S | * | . | trans | -86.1 | 48.2 | -178.6 | -61.7 | -177.5 | -176.8 | -176.9 | 0 | 112.7 | W149 | W149-K151 PolarHBondContact O-N 3.04Š| ||
| 152 | V | 83.2 | Confident | 87 | Confident | 39 Ų | 39 | 67.8 Ų | 67.8 | 24% | 0.236 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -119.1 | 126.3 | 177.9 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | A146 G150 R154 D156 L157 M160 | A146-V152 HydrophobicContact CB-CB 4.27Å; A146-V152 HydrophobicContact CB-CG2 3.64Å; G150-V152 PolarHBondContact O-N 3.19Å; G150-V152 VanDerWaalsContact O-N 3.08Å; V152-R154 PolarHBondContact O-N 3.17Å; V152-D156 HydrophobicContact CG1-CB 3.89Å; V152-L157 HydrophobicContact CG1-CB 4.48Å; V152-M160 HydrophobicContact CG1-CE 4.42Å |
| 153 | P | 86.4 | Confident | 86.3 | Confident | 68 Ų | 68 | 67.4 Ų | 67.4 | 44% | 0.442 | 32% | 0.322 | S | S | . | . | trans | -53.2 | 136.7 | 175.4 | -25.8 | 34.6 | 0 | 0 | 0 | 111 | K155 D156 L157 | P153-K155 HydrophobicContact CB-CG 4.03Å; P153-K155 PolarHBondContact O-N 3.12Å; P153-K155 VanDerWaalsContact O-N 3.08Å; P153-D156 WeakPolarHBondContact CB-OD2 3.36Å; P153-D156 WeakPolarHBondContact CD-OD2 3.44Å; P153-D156 VanDerWaalsContact CG-OD2 3.31Å; P153-D156 WeakPolarHBondContact CG-OD2 3.4Å; P153-D156 PolarHBondContact O-N 3.03Å; P153-L157 PolarHBondContact O-N 2.96Å; P153-L157 VanDerWaalsContact O-N 3.16Å | ||
| 154 | R | 84.1 | Confident | 86 | Confident | 120 Ų | 120 | 69.4 Ų | 69.4 | 45% | 0.453 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -50.8 | -39.9 | -177 | -174.4 | 177.9 | 173.4 | 86.8 | 0.7 | 112.8 | V152 D156 L157 I158 L191 D194 | V152-R154 PolarHBondContact O-N 3.17Å; R154-D156 VanDerWaalsContact C-N 3.33Å; R154-D156 PolarHBondContact O-N 3Å; R154-L157 PolarHBondContact O-N 3.22Å; R154-I158 HydrophobicContact CG-CD1 4.12Å; R154-I158 VanDerWaalsContact O-CG1 3.31Å; R154-I158 WeakPolarHBondContact O-CG1 3.41Å; R154-I158 PolarHBondContact O-N 3.25Å; R154-L191 HydrophobicContact CG-CD1 3.81Å; R154-D194 IonicContact NH2-OD2 3.16Å |
| 155 | K | 85.6 | Confident | 85.7 | Confident | 148 Ų | 148 | 74 Ų | 74 | 64% | 0.643 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -57.6 | -42.5 | 176.5 | 58.7 | 172.5 | -171.4 | 177.6 | 0 | 113 | P153 I158 V159 | P153-K155 HydrophobicContact CB-CG 4.03Å; P153-K155 PolarHBondContact O-N 3.12Å; P153-K155 VanDerWaalsContact O-N 3.08Å; K155-I158 PolarHBondContact O-N 3.19Å; K155-V159 WeakPolarHBondContact O-CG2 3.42Å; K155-V159 PolarHBondContact O-N 3.43Å; K155-V159 VanDerWaalsContact O-N 3.12Å |
| 156 | D | 85.1 | Confident | 85.5 | Confident | 65 Ų | 65 | 71.5 Ų | 71.5 | 35% | 0.348 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -74.3 | -36.3 | -176.5 | -57.9 | -26.8 | 0 | 0 | 0 | 109.7 | V152 P153 R154 V159 M160 | V152-D156 HydrophobicContact CG1-CB 3.89Å; P153-D156 WeakPolarHBondContact CB-OD2 3.36Å; P153-D156 WeakPolarHBondContact CD-OD2 3.44Å; P153-D156 VanDerWaalsContact CG-OD2 3.31Å; P153-D156 WeakPolarHBondContact CG-OD2 3.4Å; P153-D156 PolarHBondContact O-N 3.03Å; R154-D156 VanDerWaalsContact C-N 3.33Å; R154-D156 PolarHBondContact O-N 3Å; D156-V159 PolarHBondContact O-N 3.44Å; D156-M160 WeakPolarHBondContact O-CG 3.34Å; D156-M160 PolarHBondContact O-N 2.71Å |
| 157 | L | 84.7 | Confident | 85.5 | Confident | 5 Ų | 5 | 73.1 Ų | 73.1 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.3 | -42 | 173.4 | -171.2 | 66.5 | 0 | 0 | 0 | 111.9 | L143 A146 V152 P153 R154 V159 M160 L161 V188 L191 | L143-L157 HydrophobicContact CD1-CD1 3.84Å; A146-L157 HydrophobicContact CB-CD1 3.99Å; V152-L157 HydrophobicContact CG1-CB 4.48Å; P153-L157 PolarHBondContact O-N 2.96Å; P153-L157 VanDerWaalsContact O-N 3.16Å; R154-L157 PolarHBondContact O-N 3.22Å; L157-V159 VanDerWaalsContact C-N 3.33Å; L157-V159 PolarHBondContact O-N 2.83Å; L157-M160 PolarHBondContact O-N 3.17Å; L157-L161 HydrophobicContact CD1-CD1 4.44Å; L157-L161 HydrophobicContact CG-CD1 4.01Å; L157-L161 WeakPolarHBondContact O-CD1 3.42Å; L157-L161 VanDerWaalsContact O-CG 3.31Å; L157-L161 WeakPolarHBondContact O-CG 3.32Å; L157-L161 PolarHBondContact O-N 3.18Å; L157-V188 HydrophobicContact CD2-CB 4.31Å; L157-V188 HydrophobicContact CD2-CG1 4.01Å; L157-V188 HydrophobicContact CD2-CG2 4.06Å; L157-L191 HydrophobicContact CD2-CB 4.35Å; L157-L191 HydrophobicContact CD2-CD1 3.92Å; L157-L191 HydrophobicContact CD2-CD2 4Å; L157-L191 HydrophobicContact CD2-CG 4.33Å; L157-L191 HydrophobicContact CG-CD1 4.39Å; L157-L191 HydrophobicContact CG-CD2 4.19Å |
| 158 | I | 84.4 | Confident | 85.5 | Confident | 46 Ų | 46 | 77.5 Ų | 77.5 | 24% | 0.236 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 175.4 | -69.5 | 167.1 | 0 | 0 | 0 | 110.9 | R154 K155 L161 K162 L191 | R154-I158 HydrophobicContact CG-CD1 4.12Å; R154-I158 VanDerWaalsContact O-CG1 3.31Å; R154-I158 WeakPolarHBondContact O-CG1 3.41Å; R154-I158 PolarHBondContact O-N 3.25Å; K155-I158 PolarHBondContact O-N 3.19Å; I158-L161 PolarHBondContact O-N 3.11Å; I158-K162 PolarHBondContact O-N 3.16Å; I158-L191 HydrophobicContact CD1-CD1 4.42Å; I158-L191 HydrophobicContact CG1-CD1 3.78Å |
| 159 | V | 84.9 | Confident | 85.5 | Confident | 81 Ų | 81 | 80.1 Ų | 80.1 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 177 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | K155 D156 L157 L161 K162 | K155-V159 WeakPolarHBondContact O-CG2 3.42Å; K155-V159 PolarHBondContact O-N 3.43Å; K155-V159 VanDerWaalsContact O-N 3.12Å; D156-V159 PolarHBondContact O-N 3.44Å; L157-V159 VanDerWaalsContact C-N 3.33Å; L157-V159 PolarHBondContact O-N 2.83Å; V159-L161 PolarHBondContact O-N 2.98Å; V159-K162 WeakPolarHBondContact O-CB 3.3Å; V159-K162 PolarHBondContact O-N 3.38Å; V159-K162 VanDerWaalsContact O-N 3.09Å |
| 160 | M | 84.8 | Confident | 85.6 | Confident | 56 Ų | 56 | 75.1 Ų | 75.1 | 28% | 0.276 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.4 | -36.5 | 178.1 | -70.2 | -178.3 | -163.5 | 0 | 0 | 113.1 | A146 V152 D156 L157 K162 T164 | A146-M160 HydrophobicContact CB-SD 4.19Å; V152-M160 HydrophobicContact CG1-CE 4.42Å; D156-M160 WeakPolarHBondContact O-CG 3.34Å; D156-M160 PolarHBondContact O-N 2.71Å; L157-M160 PolarHBondContact O-N 3.17Å; M160-K162 VanDerWaalsContact C-N 3.34Å; M160-T164 WeakPolarHBondContact O-CB 3.36Å; M160-T164 PolarHBondContact O-N 2.9Å; M160-T164 PolarHBondContact O-OG1 2.98Å |
| 161 | L | 83.4 | Confident | 85.7 | Confident | 17 Ų | 17 | 80.9 Ų | 80.9 | 9% | 0.089 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -79.4 | -11.8 | -178.6 | -71.3 | 165.3 | 0 | 0 | 0 | 114.2 | L143 L157 I158 V159 M166 L191 L192 | L143-L161 HydrophobicContact CD1-CD2 3.58Å; L143-L161 HydrophobicContact CD1-CG 3.95Å; L143-L161 HydrophobicContact CD2-CD2 3.56Å; L143-L161 HydrophobicContact CG-CD2 4.22Å; L157-L161 HydrophobicContact CD1-CD1 4.44Å; L157-L161 HydrophobicContact CG-CD1 4.01Å; L157-L161 WeakPolarHBondContact O-CD1 3.42Å; L157-L161 VanDerWaalsContact O-CG 3.31Å; L157-L161 WeakPolarHBondContact O-CG 3.32Å; L157-L161 PolarHBondContact O-N 3.18Å; I158-L161 PolarHBondContact O-N 3.11Å; V159-L161 PolarHBondContact O-N 2.98Å; L161-M166 HydrophobicContact CB-SD 4.48Å; L161-M166 HydrophobicContact CD2-CB 4.07Å; L161-M166 HydrophobicContact CD2-CG 3.54Å; L161-M166 HydrophobicContact CD2-SD 3.77Å; L161-L191 HydrophobicContact CD1-CD2 2.95Å; L161-L191 HydrophobicContact CD1-CG 4.45Å; L161-L191 HydrophobicContact CG-CD2 4.45Å; L161-L192 HydrophobicContact CD1-CD2 4.29Å; L161-L192 HydrophobicContact CD2-CD2 3.77Å |
| 162 | K | 81.6 | Confident | 86.1 | Confident | 160 Ų | 160 | 74.3 Ų | 74.3 | 70% | 0.696 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -72.6 | -38.9 | 170.7 | -73 | -179.3 | 177.6 | -174.7 | 0 | 111.6 | I158 V159 M160 | I158-K162 PolarHBondContact O-N 3.16Å; V159-K162 WeakPolarHBondContact O-CB 3.3Å; V159-K162 PolarHBondContact O-N 3.38Å; V159-K162 VanDerWaalsContact O-N 3.09Å; M160-K162 VanDerWaalsContact C-N 3.34Å |
| 163 | D | 75.9 | Confident | 86.7 | Confident | 142 Ų | 142 | 78 Ų | 78 | 76% | 0.759 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -101.2 | -6.3 | -170.6 | -54.7 | -32.8 | 0 | 0 | 0 | 113.1 | ||
| 164 | T | 82.9 | Confident | 87.1 | Confident | 44 Ų | 44 | 75 Ų | 75 | 27% | 0.27 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -121.6 | 134.2 | -174.8 | -47.8 | 0 | 0 | 0 | 0 | 111 | L143 M160 M166 | L143-T164 HydrophobicContact CB-CG2 4.31Å; L143-T164 HydrophobicContact CD2-CG2 4.21Å; M160-T164 WeakPolarHBondContact O-CB 3.36Å; M160-T164 PolarHBondContact O-N 2.9Å; M160-T164 PolarHBondContact O-OG1 2.98Å; T164-M166 PolarHBondContact O-N 3.41Å; T164-M166 VanDerWaalsContact O-N 3.14Å |
| 165 | D | 87 | Confident | 87.6 | Confident | 100 Ų | 100 | 69.4 Ų | 69.4 | 54% | 0.535 | 34% | 0.335 | S | S | . | . | trans | -59.4 | 116.4 | 166.2 | 175.8 | 10.6 | 0 | 0 | 0 | 110.1 | N167 K168 | D165-N167 PolarHBondContact O-N 2.97Å; D165-N167 PolarHBondContact OD1-N 3.48Å; D165-K168 HydrophobicContact CB-CB 4.3Å; D165-K168 WeakPolarHBondContact O-CB 3.32Å; D165-K168 PolarHBondContact O-N 3.41Å; D165-K168 VanDerWaalsContact O-N 3.11Å | ||
| 166 | M | 87 | Confident | 88.1 | Confident | 26 Ų | 26 | 62.3 Ų | 62.3 | 13% | 0.128 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -24.5 | -177.5 | -43.3 | -166.8 | -13 | 0 | 0 | 112.8 | L161 T164 K168 L192 R195 C197 | L161-M166 HydrophobicContact CB-SD 4.48Å; L161-M166 HydrophobicContact CD2-CB 4.07Å; L161-M166 HydrophobicContact CD2-CG 3.54Å; L161-M166 HydrophobicContact CD2-SD 3.77Å; T164-M166 PolarHBondContact O-N 3.41Å; T164-M166 VanDerWaalsContact O-N 3.14Å; M166-K168 VanDerWaalsContact C-N 3.28Å; M166-L192 HydrophobicContact CB-CD2 4.47Å; M166-L192 HydrophobicContact CE-CD2 4.13Å; M166-L192 WeakPolarHBondContact CE-O 3.39Å; M166-R195 HydrophobicContact CE-CB 3.42Å; M166-R195 VanDerWaalsContact CE-CB 3.42Å; M166-R195 HydrophobicContact SD-CB 3.44Å; M166-R195 WeakPolarHBondContact SD-CB 3.49Å; M166-R195 HydrophobicContact SD-CG 4.12Å; M166-C197 HydrophobicContact CE-CB 3.5Å; M166-C197 VanDerWaalsContact CE-CB 3.5Å |
| 167 | N | 91.2 | Very high | 88.6 | Confident | 37 Ų | 37 | 59.4 Ų | 59.4 | 20% | 0.198 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 4.2 | 178.5 | -60.7 | -45.3 | 0 | 0 | 0 | 112.1 | D165 K169 Q198 I201 | D165-N167 PolarHBondContact O-N 2.97Å; D165-N167 PolarHBondContact OD1-N 3.48Å; N167-K169 PolarHBondContact O-N 2.91Å; N167-Q198 PolarHBondContact OD1-N 3.32Å; N167-I201 HydrophobicContact CB-CD1 3.84Å |
| 168 | K | 91.7 | Very high | 89.2 | Confident | 92 Ų | 92 | 59.2 Ų | 59.2 | 40% | 0.4 | 29% | 0.288 | S | S | . | . | trans | -55 | 131.2 | 177.4 | -170.6 | 179 | -172.1 | -169.3 | 0 | 110.3 | D141 H144 D165 M166 | D141-K168 WeakPolarHBondContact OD2-CD 3.48Å; D141-K168 WeakPolarHBondContact OD2-CE 3.43Å; D141-K168 IonicContact OD2-NZ 2.69Å; D141-K168 PolarHBondContact OD2-NZ 2.94Å; H144-K168 PolarHBondContact CE1-O 3Å; H144-K168 VanDerWaalsContact CE1-O 3.28Å; H144-K168 PolarHBondContact NE2-O 3.31Å; D165-K168 HydrophobicContact CB-CB 4.3Å; D165-K168 WeakPolarHBondContact O-CB 3.32Å; D165-K168 PolarHBondContact O-N 3.41Å; D165-K168 VanDerWaalsContact O-N 3.11Å; M166-K168 VanDerWaalsContact C-N 3.28Å | ||
| 169 | K | 93.1 | Very high | 89.8 | Confident | 100 Ų | 100 | 57 Ų | 57 | 44% | 0.435 | 28% | 0.276 | S | S | . | . | trans | -95.6 | 139.8 | 179.1 | -69.5 | -177.9 | -178.2 | -172.4 | 0 | 110.7 | N167 K173 R174 T175 I201 | N167-K169 PolarHBondContact O-N 2.91Å; K169-K173 HydrophobicContact CD-CB 4.25Å; K169-R174 CarbonylContact C-O 3.58Å; K169-R174 WeakPolarHBondContact CA-O 3.41Å; K169-T175 HydrophobicContact CG-CG2 4.18Å; K169-I201 HydrophobicContact CD-CG2 4.47Å | ||
| 170 | D | 91.3 | Very high | 90.3 | Very high | 14 Ų | 14 | 53.2 Ų | 53.2 | 8% | 0.075 | 25% | 0.253 | C | S | . | . | trans | -78.1 | -177 | 166.7 | 73.9 | 4.5 | 0 | 0 | 0 | 111.6 | L140 Q172 K173 R174 | L140-D170 HydrophobicContact CD2-CB 4.47Å; L140-D170 WeakPolarHBondContact CD2-OD2 3.5Å; D170-Q172 PolarHBondContact O-N 3.32Å; D170-Q172 VanDerWaalsContact O-N 3.1Å; D170-Q172 VanDerWaalsContact OD1-C 3.28Å; D170-Q172 VanDerWaalsContact OD1-CA 3.31Å; D170-Q172 WeakPolarHBondContact OD1-CA 3.36Å; D170-Q172 PolarHBondContact OD1-N 3.43Å; D170-K173 WeakPolarHBondContact O-CA 3.43Å; D170-K173 PolarHBondContact O-N 3.07Å; D170-K173 PolarHBondContact OD1-N 3.2Å; D170-R174 PolarHBondContact N-O 2.77Å; D170-R174 WeakPolarHBondContact OD1-CB 3.35Å; D170-R174 PolarHBondContact OD1-N 2.97Å; D170-R174 IonicContact OD1-NE 2.69Å; D170-R174 IonicContact OD2-CZ 2.72Å; D170-R174 IonicContact OD2-NE 2.72Å; D170-R174 PolarHBondContact OD2-NE 3.3Å; D170-R174 IonicContact OD2-NH2 2.88Å; D170-R174 PolarHBondContact OD2-NH2 3.37Å | ||
| 171 | K | 90 | Very high | 90.9 | Very high | 145 Ų | 145 | 50.5 Ų | 50.5 | 63% | 0.63 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20.7 | 179.5 | -62.7 | 177.2 | -170.4 | 163.9 | 0 | 113.5 | D139 K173 | D139-K171 IonicContact OD1-NZ 3.15Å; D139-K171 PolarHBondContact OD1-NZ 2.86Å; K171-K173 VanDerWaalsContact C-N 3.34Å |
| 172 | Q | 90.4 | Very high | 91.5 | Very high | 56 Ų | 56 | 49.7 Ų | 49.7 | 26% | 0.262 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 16.5 | 178.6 | -69.2 | 75.4 | 14.1 | 0 | 0 | 112.1 | D170 R174 N204 | D170-Q172 PolarHBondContact O-N 3.32Å; D170-Q172 VanDerWaalsContact O-N 3.1Å; D170-Q172 VanDerWaalsContact OD1-C 3.28Å; D170-Q172 VanDerWaalsContact OD1-CA 3.31Å; D170-Q172 WeakPolarHBondContact OD1-CA 3.36Å; D170-Q172 PolarHBondContact OD1-N 3.43Å; Q172-R174 HydrophobicContact CB-CG 4.13Å; Q172-R174 PolarHBondContact O-N 3.19Å; Q172-N204 VanDerWaalsContact C-CG 3.42Å; Q172-N204 WeakPolarHBondContact CA-ND2 3.48Å; Q172-N204 WeakPolarHBondContact O-CB 3.48Å; Q172-N204 PolarHBondContact O-N 3.06Å; Q172-N204 PolarHBondContact O-OD1 3.44Å |
| 173 | K | 94.1 | Very high | 92.1 | Very high | 116 Ų | 116 | 43.7 Ų | 43.7 | 50% | 0.504 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 61.2 | 16 | -177.4 | -64.7 | 179 | -168.9 | 177.1 | 0 | 114.3 | K169 D170 K171 N204 | K169-K173 HydrophobicContact CD-CB 4.25Å; D170-K173 WeakPolarHBondContact O-CA 3.43Å; D170-K173 PolarHBondContact O-N 3.07Å; D170-K173 PolarHBondContact OD1-N 3.2Å; K171-K173 VanDerWaalsContact C-N 3.34Å; K173-N204 WeakPolarHBondContact CB-OD1 3.25Å; K173-N204 WeakPolarHBondContact CD-OD1 3.12Å; K173-N204 WeakPolarHBondContact CG-OD1 3.44Å |
| 174 | R | 95.2 | Very high | 93 | Very high | 5 Ų | 5 | 38 Ų | 38 | 2% | 0.019 | 19% | 0.186 | C | C | . | . | trans | -84.2 | 139.5 | -179.5 | -55.1 | 173.3 | -61.9 | -154.7 | -1.5 | 110 | Y133 H134 H144 K169 D170 Q172 H178 L179 D203 | Y133-R174 HydrophobicContact CE1-CG 3.97Å; H134-R174 PolarHBondContact O-NH1 3.23Å; H144-R174 PolarHBondContact NE2-O 3.26Å; H144-R174 VanDerWaalsContact NE2-O 3.15Å; K169-R174 CarbonylContact C-O 3.58Å; K169-R174 WeakPolarHBondContact CA-O 3.41Å; D170-R174 PolarHBondContact N-O 2.77Å; D170-R174 WeakPolarHBondContact OD1-CB 3.35Å; D170-R174 PolarHBondContact OD1-N 2.97Å; D170-R174 IonicContact OD1-NE 2.69Å; D170-R174 IonicContact OD2-CZ 2.72Å; D170-R174 IonicContact OD2-NE 2.72Å; D170-R174 PolarHBondContact OD2-NE 3.3Å; D170-R174 IonicContact OD2-NH2 2.88Å; D170-R174 PolarHBondContact OD2-NH2 3.37Å; Q172-R174 HydrophobicContact CB-CG 4.13Å; Q172-R174 PolarHBondContact O-N 3.19Å; R174-H178 HydrophobicContact CB-CB 4.13Å; R174-L179 HydrophobicContact CB-CD2 4.46Å; R174-D203 HydrophobicContact CG-CB 3.98Å | ||
| 175 | T | 95.7 | Very high | 93.7 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | trans | -90.4 | 170.5 | 169.5 | 64.4 | 0 | 0 | 0 | 0 | 110.8 | K169 L177 H178 L179 I201 | K169-T175 HydrophobicContact CG-CG2 4.18Å; T175-L177 PolarHBondContact O-N 2.88Å; T175-L177 PolarHBondContact OG1-N 2.85Å; T175-H178 PolarHBondContact N-ND1 2.69Å; T175-H178 PolarHBondContact O-N 2.76Å; T175-H178 PolarHBondContact OG1-N 3.45Å; T175-H178 PolarHBondContact OG1-ND1 3.36Å; T175-L179 PolarHBondContact O-N 3.4Å; T175-I201 HydrophobicContact CG2-CB 4.13Å; T175-I201 HydrophobicContact CG2-CD1 3.75Å; T175-I201 HydrophobicContact CG2-CG2 3.62Å | ||
| 176 | A | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.3 | -38 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L143 A147 H178 L179 A180 L192 | L143-A176 HydrophobicContact CD2-CB 3.94Å; L143-A176 HydrophobicContact CG-CB 3.79Å; A147-A176 HydrophobicContact CB-CB 3.91Å; A147-A176 VanDerWaalsContact CB-O 3.26Å; A147-A176 WeakPolarHBondContact CB-O 3.41Å; A176-H178 PolarHBondContact O-N 3.28Å; A176-L179 PolarHBondContact O-N 3.37Å; A176-A180 WeakPolarHBondContact O-CB 3.4Å; A176-A180 PolarHBondContact O-N 3.2Å; A176-L192 HydrophobicContact CB-CD1 4Å; A176-L192 HydrophobicContact CB-CD2 4.42Å |
| 177 | L | 97.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.5 | -46.7 | 177.4 | -168.5 | 67.2 | 0 | 0 | 0 | 111.8 | T175 L179 A180 S181 V189 L192 L193 L199 A209 L225 | T175-L177 PolarHBondContact O-N 2.88Å; T175-L177 PolarHBondContact OG1-N 2.85Å; L177-L179 VanDerWaalsContact C-N 3.31Å; L177-L179 PolarHBondContact O-N 3.39Å; L177-A180 PolarHBondContact O-N 3.22Å; L177-S181 VanDerWaalsContact O-CB 3.25Å; L177-S181 WeakPolarHBondContact O-CB 3.47Å; L177-S181 PolarHBondContact O-N 2.95Å; L177-S181 PolarHBondContact O-OG 2.92Å; L177-V189 HydrophobicContact CD1-CG1 4.12Å; L177-L192 HydrophobicContact CB-CD1 4.22Å; L177-L192 HydrophobicContact CD1-CB 4.15Å; L177-L192 HydrophobicContact CD1-CD1 4.11Å; L177-L193 HydrophobicContact CD1-CD2 4.45Å; L177-L199 HydrophobicContact CD2-CD2 4.16Å; L177-A209 HydrophobicContact CB-CB 4.31Å; L177-A209 HydrophobicContact CD2-CB 3.78Å; L177-A209 HydrophobicContact CG-CB 3.67Å; L177-L225 HydrophobicContact CD1-CD2 4.14Å; L177-L225 HydrophobicContact CD2-CD2 3.9Å; L177-L225 HydrophobicContact CG-CD2 4.24Å |
| 178 | H | 97.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.7 | -45.2 | 177.2 | -72.6 | 85.2 | 0 | 0 | 0 | 112.7 | Y133 R174 T175 A176 A182 I201 R207 A209 | Y133-H178 HydrophobicContact CE2-CB 4.13Å; Y133-H178 PolarHBondContact OH-CD2 3.04Å; R174-H178 HydrophobicContact CB-CB 4.13Å; T175-H178 PolarHBondContact N-ND1 2.69Å; T175-H178 PolarHBondContact O-N 2.76Å; T175-H178 PolarHBondContact OG1-N 3.45Å; T175-H178 PolarHBondContact OG1-ND1 3.36Å; A176-H178 PolarHBondContact O-N 3.28Å; H178-A182 WeakPolarHBondContact O-CB 3.44Å; H178-A182 PolarHBondContact O-N 3.33Å; H178-I201 PolarHBondContact CE1-O 3.33Å; H178-I201 PolarHBondContact NE2-O 2.98Å; H178-I201 VanDerWaalsContact NE2-O 3.1Å; H178-R207 PolarHBondContact NE2-O 2.78Å; H178-A209 PolarHBondContact NE2-N 3.03Å |
| 179 | L | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -71.3 | -41 | -177.1 | -62.9 | 175.3 | 0 | 0 | 0 | 111.8 | Y133 V135 L140 H144 A147 W148 R174 T175 A176 L177 N183 | Y133-L179 HydrophobicContact CD2-CD2 3.95Å; Y133-L179 HydrophobicContact CE2-CD2 4.34Å; Y133-L179 HydrophobicContact CG-CD2 4.49Å; V135-L179 HydrophobicContact CG2-CD2 4.36Å; L140-L179 HydrophobicContact CD1-CD1 4.08Å; L140-L179 HydrophobicContact CD2-CD1 3.82Å; H144-L179 HydrophobicContact CB-CD1 3.53Å; H144-L179 WeakPolarHBondContact O-CD1 3.35Å; A147-L179 HydrophobicContact CB-CB 4.33Å; W148-L179 HydrophobicContact CB-CB 4.46Å; W148-L179 HydrophobicContact CE3-CB 4.08Å; W148-L179 HydrophobicContact CE3-CD2 3.6Å; W148-L179 HydrophobicContact CE3-CG 4.34Å; W148-L179 HydrophobicContact CZ3-CD2 3.92Å; R174-L179 HydrophobicContact CB-CD2 4.46Å; T175-L179 PolarHBondContact O-N 3.4Å; A176-L179 PolarHBondContact O-N 3.37Å; L177-L179 VanDerWaalsContact C-N 3.31Å; L177-L179 PolarHBondContact O-N 3.39Å; L179-N183 WeakPolarHBondContact O-CB 3.48Å; L179-N183 PolarHBondContact O-N 2.58Å |
| 180 | A | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.4 | -47.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A147 A176 L177 A182 N183 G184 N185 V188 V189 | A147-A180 HydrophobicContact CB-CB 4.07Å; A147-A180 VanDerWaalsContact O-CA 3.27Å; A147-A180 WeakPolarHBondContact O-CA 3.42Å; A176-A180 WeakPolarHBondContact O-CB 3.4Å; A176-A180 PolarHBondContact O-N 3.2Å; L177-A180 PolarHBondContact O-N 3.22Å; A180-A182 PolarHBondContact O-N 3.14Å; A180-N183 PolarHBondContact O-N 3.49Å; A180-G184 PolarHBondContact O-N 3.16Å; A180-G184 VanDerWaalsContact O-N 3.15Å; A180-N185 HydrophobicContact CB-CB 4.27Å; A180-N185 PolarHBondContact O-N 2.99Å; A180-V188 HydrophobicContact CB-CB 4.01Å; A180-V188 HydrophobicContact CB-CG1 3.88Å; A180-V189 HydrophobicContact CB-CG2 3.67Å |
| 181 | S | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64 | -39.7 | 179.3 | -62.5 | 0 | 0 | 0 | 0 | 112.9 | L177 N183 | L177-S181 VanDerWaalsContact O-CB 3.25Å; L177-S181 WeakPolarHBondContact O-CB 3.47Å; L177-S181 PolarHBondContact O-N 2.95Å; L177-S181 PolarHBondContact O-OG 2.92Å; S181-N183 VanDerWaalsContact C-N 3.26Å; S181-N183 PolarHBondContact O-N 3.24Å |
| 182 | A | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -71.6 | -18 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y133 H178 A180 K212 C216 | Y133-A182 HydrophobicContact CD2-CB 3.64Å; Y133-A182 HydrophobicContact CE2-CB 3.74Å; H178-A182 WeakPolarHBondContact O-CB 3.44Å; H178-A182 PolarHBondContact O-N 3.33Å; A180-A182 PolarHBondContact O-N 3.14Å; A182-K212 HydrophobicContact CB-CB 4.24Å; A182-C216 WeakPolarHBondContact O-CB 3.26Å; A182-C216 PolarHBondContact O-SG 3.23Å |
| 183 | N | 94.5 | Very high | 95.3 | Very high | 33 Ų | 33 | 22.4 Ų | 22.4 | 18% | 0.176 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 4.7 | -177.9 | -76.4 | 23.7 | 0 | 0 | 0 | 113.2 | W148 L179 A180 S181 N185 | W148-N183 VanDerWaalsContact CZ3-OD1 3.23Å; W148-N183 WeakPolarHBondContact CZ3-OD1 3.39Å; W148-N183 PolarHBondContact O-ND2 3.42Å; L179-N183 WeakPolarHBondContact O-CB 3.48Å; L179-N183 PolarHBondContact O-N 2.58Å; A180-N183 PolarHBondContact O-N 3.49Å; S181-N183 VanDerWaalsContact C-N 3.26Å; S181-N183 PolarHBondContact O-N 3.24Å; N183-N185 VanDerWaalsContact C-N 3.29Å; N183-N185 PolarHBondContact O-N 3.2Å |
| 184 | G | 94.9 | Very high | 95.2 | Very high | 23 Ų | 23 | 20.7 Ų | 20.7 | 24% | 0.237 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 22.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | A180 S186 E218 | A180-G184 PolarHBondContact O-N 3.16Å; A180-G184 VanDerWaalsContact O-N 3.15Å; G184-S186 PolarHBondContact O-N 2.87Å; G184-E218 WeakPolarHBondContact CA-OE2 3.36Å |
| 185 | N | 95.9 | Very high | 95 | Very high | 33 Ų | 33 | 26.9 Ų | 26.9 | 18% | 0.176 | 13% | 0.132 | C | C | . | . | trans | -82.3 | 68.9 | -179 | -65.7 | -39.1 | 0 | 0 | 0 | 110.6 | A147 W148 G150 A180 N183 E187 V188 V189 | A147-N185 PolarHBondContact O-ND2 2.99Å; W148-N185 PolarHBondContact O-ND2 2.85Å; G150-N185 VanDerWaalsContact CA-CG 3.45Å; G150-N185 WeakPolarHBondContact CA-OD1 3.33Å; G150-N185 PolarHBondContact N-ND2 3.34Å; A180-N185 HydrophobicContact CB-CB 4.27Å; A180-N185 PolarHBondContact O-N 2.99Å; N183-N185 VanDerWaalsContact C-N 3.29Å; N183-N185 PolarHBondContact O-N 3.2Å; N185-E187 VanDerWaalsContact C-N 3.32Å; N185-E187 PolarHBondContact O-N 3.42Å; N185-V188 HydrophobicContact CB-CB 4.28Å; N185-V188 HydrophobicContact CB-CG2 4.19Å; N185-V188 WeakPolarHBondContact O-CB 3.18Å; N185-V188 PolarHBondContact O-N 3.06Å; N185-V189 PolarHBondContact O-N 3.22Å | ||
| 186 | S | 95.3 | Very high | 94.7 | Very high | 18 Ų | 18 | 37.7 Ų | 37.7 | 13% | 0.126 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.7 | -40.3 | -171.3 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | G184 V188 V189 K190 E220 M224 | G184-S186 PolarHBondContact O-N 2.87Å; S186-V188 VanDerWaalsContact C-N 3.29Å; S186-V188 PolarHBondContact O-N 2.99Å; S186-V189 WeakPolarHBondContact O-CB 3.28Å; S186-V189 PolarHBondContact O-N 2.91Å; S186-V189 VanDerWaalsContact O-N 3.15Å; S186-K190 WeakPolarHBondContact O-CB 3.33Å; S186-K190 PolarHBondContact O-N 3.31Å; S186-E220 VanDerWaalsContact CB-CD 3.45Å; S186-E220 WeakPolarHBondContact CB-OE1 3.21Å; S186-E220 PolarHBondContact OG-OE1 3.21Å; S186-M224 VanDerWaalsContact CB-CE 3.48Å |
| 187 | E | 93.6 | Very high | 94.5 | Very high | 121 Ų | 121 | 38.2 Ų | 38.2 | 57% | 0.565 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -59.9 | -36.4 | 175.9 | -69.1 | -59.5 | 146.5 | 0 | 0 | 113.5 | N185 L191 | N185-E187 VanDerWaalsContact C-N 3.32Å; N185-E187 PolarHBondContact O-N 3.42Å; E187-L191 WeakPolarHBondContact O-CB 3.34Å; E187-L191 PolarHBondContact O-N 2.98Å |
| 188 | V | 94.8 | Very high | 94.4 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.5 | -42.6 | 175.9 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | A147 L157 A180 N185 S186 L191 L192 | A147-V188 HydrophobicContact CB-CG1 4.06Å; L157-V188 HydrophobicContact CD2-CB 4.31Å; L157-V188 HydrophobicContact CD2-CG1 4.01Å; L157-V188 HydrophobicContact CD2-CG2 4.06Å; A180-V188 HydrophobicContact CB-CB 4.01Å; A180-V188 HydrophobicContact CB-CG1 3.88Å; N185-V188 HydrophobicContact CB-CB 4.28Å; N185-V188 HydrophobicContact CB-CG2 4.19Å; N185-V188 WeakPolarHBondContact O-CB 3.18Å; N185-V188 PolarHBondContact O-N 3.06Å; S186-V188 VanDerWaalsContact C-N 3.29Å; S186-V188 PolarHBondContact O-N 2.99Å; V188-L191 PolarHBondContact O-N 3.38Å; V188-L192 HydrophobicContact CG1-CD1 3.96Å; V188-L192 HydrophobicContact CG1-CG 4.32Å; V188-L192 VanDerWaalsContact O-CG 3.29Å; V188-L192 WeakPolarHBondContact O-CG 3.13Å; V188-L192 PolarHBondContact O-N 3.23Å |
| 189 | V | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.7 | -53.4 | 175 | 173.1 | 0 | 0 | 0 | 0 | 110 | L177 A180 N185 S186 L191 L192 L193 C221 M224 L225 | L177-V189 HydrophobicContact CD1-CG1 4.12Å; A180-V189 HydrophobicContact CB-CG2 3.67Å; N185-V189 PolarHBondContact O-N 3.22Å; S186-V189 WeakPolarHBondContact O-CB 3.28Å; S186-V189 PolarHBondContact O-N 2.91Å; S186-V189 VanDerWaalsContact O-N 3.15Å; V189-L191 VanDerWaalsContact C-N 3.3Å; V189-L191 PolarHBondContact O-N 3.44Å; V189-L192 PolarHBondContact O-N 3.16Å; V189-L192 VanDerWaalsContact O-N 3.07Å; V189-L193 HydrophobicContact CG1-CD1 3.69Å; V189-L193 HydrophobicContact CG1-CG 4.18Å; V189-L193 VanDerWaalsContact O-CG 3.27Å; V189-L193 WeakPolarHBondContact O-CG 3.32Å; V189-L193 PolarHBondContact O-N 2.97Å; V189-C221 HydrophobicContact CG2-CB 4.37Å; V189-M224 HydrophobicContact CB-CE 3.95Å; V189-M224 HydrophobicContact CG1-CE 3.85Å; V189-L225 HydrophobicContact CG1-CG 4.48Å |
| 190 | K | 94.6 | Very high | 94.2 | Very high | 97 Ų | 97 | 48.4 Ų | 48.4 | 42% | 0.422 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -52 | -48.1 | 178.3 | -175.2 | 173 | -175 | 170.7 | 0 | 112 | S186 L192 L193 D194 M224 | S186-K190 WeakPolarHBondContact O-CB 3.33Å; S186-K190 PolarHBondContact O-N 3.31Å; K190-L192 PolarHBondContact O-N 3.49Å; K190-L193 PolarHBondContact O-N 3.35Å; K190-D194 PolarHBondContact O-N 3.03Å; K190-M224 HydrophobicContact CB-SD 4.06Å |
| 191 | L | 93.3 | Very high | 94.2 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.3 | -38.8 | -179.7 | -170.6 | 152.5 | 0 | 0 | 0 | 112.7 | R154 L157 I158 L161 E187 V188 V189 L193 R195 | R154-L191 HydrophobicContact CG-CD1 3.81Å; L157-L191 HydrophobicContact CD2-CB 4.35Å; L157-L191 HydrophobicContact CD2-CD1 3.92Å; L157-L191 HydrophobicContact CD2-CD2 4Å; L157-L191 HydrophobicContact CD2-CG 4.33Å; L157-L191 HydrophobicContact CG-CD1 4.39Å; L157-L191 HydrophobicContact CG-CD2 4.19Å; I158-L191 HydrophobicContact CD1-CD1 4.42Å; I158-L191 HydrophobicContact CG1-CD1 3.78Å; L161-L191 HydrophobicContact CD1-CD2 2.95Å; L161-L191 HydrophobicContact CD1-CG 4.45Å; L161-L191 HydrophobicContact CG-CD2 4.45Å; E187-L191 WeakPolarHBondContact O-CB 3.34Å; E187-L191 PolarHBondContact O-N 2.98Å; V188-L191 PolarHBondContact O-N 3.38Å; V189-L191 VanDerWaalsContact C-N 3.3Å; V189-L191 PolarHBondContact O-N 3.44Å; L191-L193 VanDerWaalsContact C-N 3.31Å; L191-R195 WeakPolarHBondContact O-CG 3.39Å; L191-R195 PolarHBondContact O-N 3.28Å |
| 192 | L | 94 | Very high | 94.2 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.2 | -35.8 | 175 | -69.9 | 170.8 | 0 | 0 | 0 | 111.7 | L161 M166 A176 L177 V188 V189 K190 R195 R196 C197 | L161-L192 HydrophobicContact CD1-CD2 4.29Å; L161-L192 HydrophobicContact CD2-CD2 3.77Å; M166-L192 HydrophobicContact CB-CD2 4.47Å; M166-L192 HydrophobicContact CE-CD2 4.13Å; M166-L192 WeakPolarHBondContact CE-O 3.39Å; A176-L192 HydrophobicContact CB-CD1 4Å; A176-L192 HydrophobicContact CB-CD2 4.42Å; L177-L192 HydrophobicContact CB-CD1 4.22Å; L177-L192 HydrophobicContact CD1-CB 4.15Å; L177-L192 HydrophobicContact CD1-CD1 4.11Å; V188-L192 HydrophobicContact CG1-CD1 3.96Å; V188-L192 HydrophobicContact CG1-CG 4.32Å; V188-L192 VanDerWaalsContact O-CG 3.29Å; V188-L192 WeakPolarHBondContact O-CG 3.13Å; V188-L192 PolarHBondContact O-N 3.23Å; V189-L192 PolarHBondContact O-N 3.16Å; V189-L192 VanDerWaalsContact O-N 3.07Å; K190-L192 PolarHBondContact O-N 3.49Å; L192-R195 PolarHBondContact O-N 3.42Å; L192-R196 PolarHBondContact O-N 3.13Å; L192-C197 PolarHBondContact O-N 3.2Å; L192-C197 PolarHBondContact O-SG 3.14Å |
| 193 | L | 94.3 | Very high | 94.2 | Very high | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.9 | -43.8 | 175.8 | -64.5 | 176 | 0 | 0 | 0 | 112.2 | L177 V189 K190 L191 R195 R196 L199 M224 L225 H228 | L177-L193 HydrophobicContact CD1-CD2 4.45Å; V189-L193 HydrophobicContact CG1-CD1 3.69Å; V189-L193 HydrophobicContact CG1-CG 4.18Å; V189-L193 VanDerWaalsContact O-CG 3.27Å; V189-L193 WeakPolarHBondContact O-CG 3.32Å; V189-L193 PolarHBondContact O-N 2.97Å; K190-L193 PolarHBondContact O-N 3.35Å; L191-L193 VanDerWaalsContact C-N 3.31Å; L193-R195 PolarHBondContact O-N 2.86Å; L193-R195 VanDerWaalsContact O-N 3.09Å; L193-R196 PolarHBondContact O-N 3.31Å; L193-L199 HydrophobicContact CD2-CD2 3.22Å; L193-M224 HydrophobicContact CD1-CB 4.04Å; L193-L225 HydrophobicContact CD1-CD2 4.48Å; L193-L225 HydrophobicContact CD2-CD2 4.05Å; L193-H228 HydrophobicContact CD1-CB 4.38Å; L193-H228 HydrophobicContact CD2-CB 4.17Å |
| 194 | D | 92 | Very high | 94.1 | Very high | 80 Ų | 80 | 54.5 Ų | 54.5 | 43% | 0.428 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -54.6 | -30.6 | 174 | -71.3 | -20.4 | 0 | 0 | 0 | 112 | R154 K190 | R154-D194 IonicContact NH2-OD2 3.16Å; K190-D194 PolarHBondContact O-N 3.03Å |
| 195 | R | 90.2 | Very high | 94.1 | Very high | 136 Ų | 136 | 56.1 Ų | 56.1 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 10.3 | 179.1 | -71.5 | -77.6 | -171.3 | -104.6 | -0.4 | 113.7 | M166 L191 L192 L193 C197 | M166-R195 HydrophobicContact CE-CB 3.42Å; M166-R195 VanDerWaalsContact CE-CB 3.42Å; M166-R195 HydrophobicContact SD-CB 3.44Å; M166-R195 WeakPolarHBondContact SD-CB 3.49Å; M166-R195 HydrophobicContact SD-CG 4.12Å; L191-R195 WeakPolarHBondContact O-CG 3.39Å; L191-R195 PolarHBondContact O-N 3.28Å; L192-R195 PolarHBondContact O-N 3.42Å; L193-R195 PolarHBondContact O-N 2.86Å; L193-R195 VanDerWaalsContact O-N 3.09Å; R195-C197 PolarHBondContact O-N 3.41Å |
| 196 | R | 89.8 | Confident | 94.1 | Very high | 229 Ų | 229 | 60.3 Ų | 60.3 | 86% | 0.864 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 45 | 175.8 | -55 | -175 | 178.6 | -167 | -1.5 | 113.8 | L192 L193 | L192-R196 PolarHBondContact O-N 3.13Å; L193-R196 PolarHBondContact O-N 3.31Å |
| 197 | C | 91.6 | Very high | 94.2 | Very high | 11 Ų | 11 | 60.1 Ų | 60.1 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | trans | -59.3 | 158.1 | 169 | 65.3 | 0 | 0 | 0 | 0 | 112 | M166 L192 R195 L199 | M166-C197 HydrophobicContact CE-CB 3.5Å; M166-C197 VanDerWaalsContact CE-CB 3.5Å; L192-C197 PolarHBondContact O-N 3.2Å; L192-C197 PolarHBondContact O-SG 3.14Å; R195-C197 PolarHBondContact O-N 3.41Å; C197-L199 PolarHBondContact O-N 2.86Å | ||
| 198 | Q | 94.7 | Very high | 94.3 | Very high | 118 Ų | 118 | 54.4 Ų | 54.4 | 55% | 0.551 | 25% | 0.246 | S | C | * | . | trans | -75 | 125.1 | 174.6 | -68.3 | 178.6 | 11.1 | 0 | 0 | 110.2 | N167 I201 | N167-Q198 PolarHBondContact OD1-N 3.32Å; Q198-I201 HydrophobicContact CB-CD1 3.59Å; Q198-I201 HydrophobicContact CB-CG1 3.75Å; Q198-I201 HydrophobicContact CG-CD1 4.46Å | ||
| 199 | L | 94.3 | Very high | 94.5 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -84.2 | -39.4 | -172.1 | -52.6 | -178.9 | 0 | 0 | 0 | 113 | L177 L193 C197 I201 L225 H228 T230 | L177-L199 HydrophobicContact CD2-CD2 4.16Å; L193-L199 HydrophobicContact CD2-CD2 3.22Å; C197-L199 PolarHBondContact O-N 2.86Å; L199-I201 VanDerWaalsContact C-N 3.27Å; L199-I201 PolarHBondContact O-N 2.95Å; L199-L225 HydrophobicContact CD2-CD2 4.48Å; L199-H228 HydrophobicContact CD1-CB 4.16Å; L199-H228 WeakPolarHBondContact CD1-O 3.47Å; L199-T230 HydrophobicContact CB-CG2 4.32Å |
| 200 | N | 94.6 | Very high | 94.6 | Very high | 72 Ų | 72 | 54.1 Ų | 54.1 | 39% | 0.385 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -91.8 | 25.7 | -171.2 | -64.9 | -20 | 0 | 0 | 0 | 113.2 | T230 D231 I234 | N200-T230 WeakPolarHBondContact OD1-CG2 3.38Å; N200-D231 PolarHBondContact OD1-N 3.47Å; N200-I234 HydrophobicContact CB-CD1 3.55Å; N200-I234 VanDerWaalsContact CG-CD1 3.47Å |
| 201 | I | 96.5 | Very high | 94.7 | Very high | 13 Ų | 13 | 49.6 Ų | 49.6 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | trans | -71.1 | 142.3 | 173.6 | -68.4 | 178.3 | 0 | 0 | 0 | 109.4 | N167 K169 T175 H178 Q198 L199 | N167-I201 HydrophobicContact CB-CD1 3.84Å; K169-I201 HydrophobicContact CD-CG2 4.47Å; T175-I201 HydrophobicContact CG2-CB 4.13Å; T175-I201 HydrophobicContact CG2-CD1 3.75Å; T175-I201 HydrophobicContact CG2-CG2 3.62Å; H178-I201 PolarHBondContact CE1-O 3.33Å; H178-I201 PolarHBondContact NE2-O 2.98Å; H178-I201 VanDerWaalsContact NE2-O 3.1Å; Q198-I201 HydrophobicContact CB-CD1 3.59Å; Q198-I201 HydrophobicContact CB-CG1 3.75Å; Q198-I201 HydrophobicContact CG-CD1 4.46Å; L199-I201 VanDerWaalsContact C-N 3.27Å; L199-I201 PolarHBondContact O-N 2.95Å | ||
| 202 | L | 97.1 | Very high | 94.9 | Very high | 62 Ų | 62 | 49.4 Ų | 49.4 | 33% | 0.325 | 22% | 0.224 | S | C | . | . | trans | -103.8 | 136.3 | -179.4 | -49.3 | -176.9 | 0 | 0 | 0 | 112.8 | K206 R207 T208 I234 | L202-K206 HydrophobicContact CD1-CB 4.4Å; L202-R207 WeakPolarHBondContact CA-O 3.25Å; L202-T208 HydrophobicContact CD2-CG2 3.8Å; L202-I234 HydrophobicContact CD2-CG2 3.68Å | ||
| 203 | D | 95.3 | Very high | 95.1 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 3% | 0.032 | 22% | 0.223 | C | C | . | . | trans | -75.8 | -178.9 | 166.8 | 82.3 | -0.1 | 0 | 0 | 0 | 112.8 | Y133 R174 K205 K206 R207 | Y133-D203 VanDerWaalsContact CE1-OD2 3.22Å; Y133-D203 WeakPolarHBondContact CE1-OD2 3.13Å; Y133-D203 PolarHBondContact OH-OD2 3Å; R174-D203 HydrophobicContact CG-CB 3.98Å; D203-K205 PolarHBondContact O-N 2.96Å; D203-K205 WeakPolarHBondContact OD1-CA 3.36Å; D203-K205 PolarHBondContact OD1-N 3.17Å; D203-K206 WeakPolarHBondContact O-CA 3.36Å; D203-K206 PolarHBondContact O-N 3.18Å; D203-K206 PolarHBondContact OD1-N 3.48Å; D203-R207 PolarHBondContact N-O 3.22Å; D203-R207 WeakPolarHBondContact OD1-CB 3.48Å; D203-R207 PolarHBondContact OD1-N 3.19Å; D203-R207 IonicContact OD1-NE 3.58Å; D203-R207 IonicContact OD2-CZ 3.82Å; D203-R207 IonicContact OD2-NE 3.78Å; D203-R207 PolarHBondContact OD2-NE 2.81Å; D203-R207 VanDerWaalsContact OD2-NE 3.16Å; D203-R207 IonicContact OD2-NH2 3.7Å; D203-R207 PolarHBondContact OD2-NH2 3.13Å | ||
| 204 | N | 93.8 | Very high | 95.3 | Very high | 81 Ų | 81 | 49.2 Ų | 49.2 | 43% | 0.433 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -26.7 | 179.1 | -91.7 | 3.2 | 0 | 0 | 0 | 114.8 | Q172 K173 K206 | Q172-N204 VanDerWaalsContact C-CG 3.42Å; Q172-N204 WeakPolarHBondContact CA-ND2 3.48Å; Q172-N204 WeakPolarHBondContact O-CB 3.48Å; Q172-N204 PolarHBondContact O-N 3.06Å; Q172-N204 PolarHBondContact O-OD1 3.44Å; K173-N204 WeakPolarHBondContact CB-OD1 3.25Å; K173-N204 WeakPolarHBondContact CD-OD1 3.12Å; K173-N204 WeakPolarHBondContact CG-OD1 3.44Å; N204-K206 VanDerWaalsContact C-N 3.28Å |
| 205 | K | 93.7 | Very high | 95.5 | Very high | 56 Ų | 56 | 45.5 Ų | 45.5 | 24% | 0.243 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 17.7 | 176.6 | -62.2 | -161.2 | 166.1 | -166.2 | 0 | 112 | D203 R207 E237 | D203-K205 PolarHBondContact O-N 2.96Å; D203-K205 WeakPolarHBondContact OD1-CA 3.36Å; D203-K205 PolarHBondContact OD1-N 3.17Å; K205-R207 HydrophobicContact CB-CG 4.31Å; K205-R207 PolarHBondContact O-N 3.44Å; K205-E237 HydrophobicContact CB-CG 4.21Å; K205-E237 VanDerWaalsContact CB-OE1 3.28Å; K205-E237 WeakPolarHBondContact CB-OE1 3.41Å; K205-E237 WeakPolarHBondContact CD-OE1 3.18Å; K205-E237 WeakPolarHBondContact CG-OE1 3.4Å; K205-E237 WeakPolarHBondContact O-CB 3.4Å; K205-E237 PolarHBondContact O-N 3.27Å |
| 206 | K | 96.3 | Very high | 95.7 | Very high | 122 Ų | 122 | 39.6 Ų | 39.6 | 53% | 0.53 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 59.2 | 23.7 | -175.8 | -54.9 | -174.1 | 177.6 | -174.1 | 0 | 114.7 | L202 D203 N204 E237 | L202-K206 HydrophobicContact CD1-CB 4.4Å; D203-K206 WeakPolarHBondContact O-CA 3.36Å; D203-K206 PolarHBondContact O-N 3.18Å; D203-K206 PolarHBondContact OD1-N 3.48Å; N204-K206 VanDerWaalsContact C-N 3.28Å; K206-E237 HydrophobicContact CG-CB 4.46Å |
| 207 | R | 96.6 | Very high | 96 | Very high | 14 Ų | 14 | 34 Ų | 34 | 5% | 0.053 | 17% | 0.166 | C | C | . | . | trans | -89.9 | 145 | 178.9 | -62.8 | 171 | -60.5 | -175.8 | 0.9 | 110.4 | H178 L202 D203 K205 T211 K212 D236 | H178-R207 PolarHBondContact NE2-O 2.78Å; L202-R207 WeakPolarHBondContact CA-O 3.25Å; D203-R207 PolarHBondContact N-O 3.22Å; D203-R207 WeakPolarHBondContact OD1-CB 3.48Å; D203-R207 PolarHBondContact OD1-N 3.19Å; D203-R207 IonicContact OD1-NE 3.58Å; D203-R207 IonicContact OD2-CZ 3.82Å; D203-R207 IonicContact OD2-NE 3.78Å; D203-R207 PolarHBondContact OD2-NE 2.81Å; D203-R207 VanDerWaalsContact OD2-NE 3.16Å; D203-R207 IonicContact OD2-NH2 3.7Å; D203-R207 PolarHBondContact OD2-NH2 3.13Å; K205-R207 HydrophobicContact CB-CG 4.31Å; K205-R207 PolarHBondContact O-N 3.44Å; R207-T211 HydrophobicContact CB-CG2 4.26Å; R207-T211 HydrophobicContact CG-CG2 4.15Å; R207-K212 HydrophobicContact CB-CD 4.16Å; R207-K212 HydrophobicContact CB-CG 4.19Å; R207-D236 HydrophobicContact CG-CB 3.54Å | ||
| 208 | T | 97.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | trans | -84.5 | 169.2 | 169.2 | 65.5 | 0 | 0 | 0 | 0 | 111 | L202 L210 T211 K212 I234 | L202-T208 HydrophobicContact CD2-CG2 3.8Å; T208-L210 PolarHBondContact O-N 2.92Å; T208-L210 PolarHBondContact OG1-N 3.13Å; T208-T211 PolarHBondContact O-N 2.91Å; T208-T211 PolarHBondContact OG1-N 3.15Å; T208-T211 VanDerWaalsContact OG1-N 3.11Å; T208-T211 PolarHBondContact OG1-OG1 3.4Å; T208-T211 VanDerWaalsContact OG1-OG1 3.07Å; T208-K212 WeakPolarHBondContact O-CG 3.39Å; T208-K212 PolarHBondContact O-N 3.36Å; T208-K212 VanDerWaalsContact O-N 3.13Å; T208-I234 HydrophobicContact CG2-CB 3.85Å; T208-I234 HydrophobicContact CG2-CD1 3.81Å; T208-I234 HydrophobicContact CG2-CG1 4.41Å; T208-I234 HydrophobicContact CG2-CG2 3.7Å | ||
| 209 | A | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60 | -35.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L177 H178 K212 A213 L225 | L177-A209 HydrophobicContact CB-CB 4.31Å; L177-A209 HydrophobicContact CD2-CB 3.78Å; L177-A209 HydrophobicContact CG-CB 3.67Å; H178-A209 PolarHBondContact NE2-N 3.03Å; A209-K212 PolarHBondContact O-N 3.18Å; A209-A213 PolarHBondContact O-N 3.04Å; A209-L225 HydrophobicContact CB-CD1 4.15Å |
| 210 | L | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.4 | -51 | 175.7 | 171.6 | 65.6 | 0 | 0 | 0 | 111.2 | T208 K212 A213 V214 A222 L225 L226 T230 P232 A242 L258 | T208-L210 PolarHBondContact O-N 2.92Å; T208-L210 PolarHBondContact OG1-N 3.13Å; L210-K212 PolarHBondContact O-N 3.31Å; L210-K212 VanDerWaalsContact O-N 3.15Å; L210-A213 PolarHBondContact O-N 3.41Å; L210-A213 VanDerWaalsContact O-N 3.08Å; L210-V214 HydrophobicContact CD1-CG2 4.13Å; L210-V214 WeakPolarHBondContact O-CG2 3.45Å; L210-V214 PolarHBondContact O-N 3.35Å; L210-A222 HydrophobicContact CD1-CB 4.06Å; L210-L225 HydrophobicContact CB-CB 4.47Å; L210-L225 HydrophobicContact CB-CD1 4.15Å; L210-L225 HydrophobicContact CD1-CB 4.28Å; L210-L226 HydrophobicContact CD1-CD1 4.4Å; L210-L226 HydrophobicContact CD1-CD2 4.03Å; L210-L226 HydrophobicContact CD1-CG 3.87Å; L210-L226 HydrophobicContact CD2-CD2 3.6Å; L210-L226 HydrophobicContact CD2-CG 4.36Å; L210-L226 HydrophobicContact CG-CD2 4.48Å; L210-T230 HydrophobicContact CB-CG2 3.68Å; L210-T230 HydrophobicContact CD2-CG2 3.85Å; L210-T230 HydrophobicContact CG-CG2 4.41Å; L210-P232 HydrophobicContact CD2-CB 4.04Å; L210-A242 HydrophobicContact CD2-CB 4.36Å; L210-A242 HydrophobicContact CG-CB 4.27Å; L210-L258 HydrophobicContact CD2-CD2 4.36Å |
| 211 | T | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.1 | -37.1 | 177.5 | -55.9 | 0 | 0 | 0 | 0 | 110.9 | R207 T208 Q215 Y245 | R207-T211 HydrophobicContact CB-CG2 4.26Å; R207-T211 HydrophobicContact CG-CG2 4.15Å; T208-T211 PolarHBondContact O-N 2.91Å; T208-T211 PolarHBondContact OG1-N 3.15Å; T208-T211 VanDerWaalsContact OG1-N 3.11Å; T208-T211 PolarHBondContact OG1-OG1 3.4Å; T208-T211 VanDerWaalsContact OG1-OG1 3.07Å; T211-Q215 WeakPolarHBondContact O-CB 3.49Å; T211-Q215 PolarHBondContact O-N 3.4Å; T211-Y245 HydrophobicContact CG2-CD2 3.51Å; T211-Y245 HydrophobicContact CG2-CE2 3.4Å |
| 212 | K | 96.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -73.6 | -39.1 | 176.5 | -66.5 | -63.5 | -69.2 | 155.2 | 0 | 114.6 | P131 Y133 A182 R207 T208 A209 L210 V214 Q215 C216 | P131-K212 PolarHBondContact O-NZ 2.97Å; Y133-K212 HydrophobicContact CE1-CD 4.31Å; Y133-K212 HydrophobicContact CE2-CD 4.31Å; Y133-K212 VanDerWaalsContact CE2-CE 3.49Å; Y133-K212 HydrophobicContact CE2-CG 4.14Å; Y133-K212 WeakPolarHBondContact OH-CG 3.43Å; A182-K212 HydrophobicContact CB-CB 4.24Å; R207-K212 HydrophobicContact CB-CD 4.16Å; R207-K212 HydrophobicContact CB-CG 4.19Å; T208-K212 WeakPolarHBondContact O-CG 3.39Å; T208-K212 PolarHBondContact O-N 3.36Å; T208-K212 VanDerWaalsContact O-N 3.13Å; A209-K212 PolarHBondContact O-N 3.18Å; L210-K212 PolarHBondContact O-N 3.31Å; L210-K212 VanDerWaalsContact O-N 3.15Å; K212-V214 VanDerWaalsContact C-N 3.32Å; K212-Q215 PolarHBondContact O-N 3.16Å; K212-C216 WeakPolarHBondContact O-CB 3.41Å; K212-C216 PolarHBondContact O-N 2.83Å |
| 213 | A | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.7 | -49.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | A209 L210 C216 Q217 E218 C221 A222 L225 | A209-A213 PolarHBondContact O-N 3.04Å; L210-A213 PolarHBondContact O-N 3.41Å; L210-A213 VanDerWaalsContact O-N 3.08Å; A213-C216 CarbonylContact O-C 3.38Å; A213-C216 PolarHBondContact O-N 3.32Å; A213-Q217 PolarHBondContact O-N 3.18Å; A213-E218 PolarHBondContact O-N 3.18Å; A213-C221 HydrophobicContact CB-CB 4.15Å; A213-A222 HydrophobicContact CB-CB 3.79Å; A213-L225 HydrophobicContact CB-CD1 4.35Å |
| 214 | V | 98.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.9 | -45.1 | 178.3 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | L210 K212 C216 Q217 A222 A242 A246 N249 M254 L258 | L210-V214 HydrophobicContact CD1-CG2 4.13Å; L210-V214 WeakPolarHBondContact O-CG2 3.45Å; L210-V214 PolarHBondContact O-N 3.35Å; K212-V214 VanDerWaalsContact C-N 3.32Å; V214-C216 VanDerWaalsContact C-N 3.27Å; V214-C216 PolarHBondContact O-N 3.48Å; V214-Q217 PolarHBondContact O-N 3.08Å; V214-A222 HydrophobicContact CG2-CB 3.97Å; V214-A242 WeakPolarHBondContact CG1-O 3.3Å; V214-A242 HydrophobicContact CG2-CB 4.32Å; V214-A246 HydrophobicContact CG1-CB 3.9Å; V214-N249 PolarHBondContact O-ND2 3.36Å; V214-M254 HydrophobicContact CG1-CG 4Å; V214-M254 HydrophobicContact CG2-CG 3.97Å; V214-M254 HydrophobicContact CG2-SD 4.08Å; V214-L258 HydrophobicContact CG1-CD1 4.48Å; V214-L258 HydrophobicContact CG2-CD1 4.39Å |
| 215 | Q | 96.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.3 | -39.1 | 178 | -174.9 | 179.3 | 26.5 | 0 | 0 | 111.8 | A127 P131 T211 K212 Q217 Y245 | A127-Q215 PolarHBondContact O-NE2 3.23Å; P131-Q215 HydrophobicContact CB-CG 3.92Å; P131-Q215 WeakPolarHBondContact CB-O 3.45Å; T211-Q215 WeakPolarHBondContact O-CB 3.49Å; T211-Q215 PolarHBondContact O-N 3.4Å; K212-Q215 PolarHBondContact O-N 3.16Å; Q215-Q217 VanDerWaalsContact C-N 3.33Å; Q215-Y245 HydrophobicContact CB-CD1 3.88Å; Q215-Y245 HydrophobicContact CB-CE1 4.17Å; Q215-Y245 HydrophobicContact CB-CG 4.22Å; Q215-Y245 HydrophobicContact CG-CD1 3.71Å; Q215-Y245 HydrophobicContact CG-CE1 3.68Å |
| 216 | C | 95.7 | Very high | 97.3 | Very high | 12 Ų | 12 | 25 Ų | 25 | 8% | 0.081 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -82.4 | -3.7 | 177.1 | -71.5 | 0 | 0 | 0 | 0 | 114.5 | P131 A182 K212 A213 V214 E218 | P131-C216 PolarHBondContact O-SG 2.9Å; A182-C216 WeakPolarHBondContact O-CB 3.26Å; A182-C216 PolarHBondContact O-SG 3.23Å; K212-C216 WeakPolarHBondContact O-CB 3.41Å; K212-C216 PolarHBondContact O-N 2.83Å; A213-C216 CarbonylContact O-C 3.38Å; A213-C216 PolarHBondContact O-N 3.32Å; V214-C216 VanDerWaalsContact C-N 3.27Å; V214-C216 PolarHBondContact O-N 3.48Å; C216-E218 VanDerWaalsContact C-N 3.32Å; C216-E218 HydrophobicContact CB-CG 3.67Å |
| 217 | Q | 96.1 | Very high | 97.4 | Very high | 112 Ų | 112 | 22.6 Ų | 22.6 | 52% | 0.523 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 39.3 | -174.1 | -59.1 | 169.1 | 60.2 | 0 | 0 | 112.9 | A213 V214 Q215 D219 N249 | A213-Q217 PolarHBondContact O-N 3.18Å; V214-Q217 PolarHBondContact O-N 3.08Å; Q215-Q217 VanDerWaalsContact C-N 3.33Å; Q217-D219 PolarHBondContact O-N 3.25Å; Q217-N249 HydrophobicContact CG-CB 4.23Å; Q217-N249 WeakPolarHBondContact CG-ND2 3.31Å |
| 218 | E | 97.4 | Very high | 97.4 | Very high | 42 Ų | 42 | 26.3 Ų | 26.3 | 20% | 0.196 | 13% | 0.127 | C | C | . | . | trans | -97.3 | 72.7 | 177.6 | -55.2 | -65.1 | 174.2 | 0 | 0 | 109.5 | R132 G184 A213 C216 E220 C221 A222 | R132-E218 IonicContact NH1-OE1 3.69Å; R132-E218 IonicContact NH2-OE1 2.66Å; G184-E218 WeakPolarHBondContact CA-OE2 3.36Å; A213-E218 PolarHBondContact O-N 3.18Å; C216-E218 VanDerWaalsContact C-N 3.32Å; C216-E218 HydrophobicContact CB-CG 3.67Å; E218-E220 PolarHBondContact O-N 3.02Å; E218-C221 HydrophobicContact CB-CB 4.35Å; E218-C221 WeakPolarHBondContact O-CB 3.39Å; E218-C221 PolarHBondContact O-N 3.34Å; E218-C221 VanDerWaalsContact O-N 3.12Å; E218-A222 PolarHBondContact O-N 3.12Å; E218-A222 VanDerWaalsContact O-N 3.08Å | ||
| 219 | D | 96 | Very high | 97.2 | Very high | 66 Ų | 66 | 29 Ų | 29 | 35% | 0.353 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58.4 | -42.7 | -166 | -61.9 | -16.1 | 0 | 0 | 0 | 114 | Q217 C221 A222 L223 M254 | Q217-D219 PolarHBondContact O-N 3.25Å; D219-C221 VanDerWaalsContact C-N 3.29Å; D219-C221 PolarHBondContact O-N 3.46Å; D219-A222 PolarHBondContact O-N 2.95Å; D219-L223 WeakPolarHBondContact O-CB 3.29Å; D219-L223 VanDerWaalsContact O-CG 3.3Å; D219-L223 WeakPolarHBondContact O-CG 3.31Å; D219-L223 PolarHBondContact O-N 3Å; D219-M254 HydrophobicContact CB-CE 3.76Å; D219-M254 WeakPolarHBondContact OD1-CE 3.39Å |
| 220 | E | 97.3 | Very high | 97.1 | Very high | 97 Ų | 97 | 29.3 Ų | 29.3 | 45% | 0.453 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59.5 | -41.9 | 179 | -170.8 | -175.3 | 157.2 | 0 | 0 | 111.2 | S186 E218 M224 | S186-E220 VanDerWaalsContact CB-CD 3.45Å; S186-E220 WeakPolarHBondContact CB-OE1 3.21Å; S186-E220 PolarHBondContact OG-OE1 3.21Å; E218-E220 PolarHBondContact O-N 3.02Å; E220-M224 HydrophobicContact CG-CE 4.4Å; E220-M224 WeakPolarHBondContact O-CG 3.22Å; E220-M224 PolarHBondContact O-N 2.87Å; E220-M224 VanDerWaalsContact O-N 3.1Å |
| 221 | C | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68 | -41.3 | 176.6 | -69.5 | 0 | 0 | 0 | 0 | 111.8 | V189 A213 E218 D219 L225 | V189-C221 HydrophobicContact CG2-CB 4.37Å; A213-C221 HydrophobicContact CB-CB 4.15Å; E218-C221 HydrophobicContact CB-CB 4.35Å; E218-C221 WeakPolarHBondContact O-CB 3.39Å; E218-C221 PolarHBondContact O-N 3.34Å; E218-C221 VanDerWaalsContact O-N 3.12Å; D219-C221 VanDerWaalsContact C-N 3.29Å; D219-C221 PolarHBondContact O-N 3.46Å; C221-L225 WeakPolarHBondContact O-CB 3.41Å; C221-L225 WeakPolarHBondContact O-CD1 3.32Å; C221-L225 VanDerWaalsContact O-CG 3.22Å; C221-L225 WeakPolarHBondContact O-CG 3.45Å; C221-L225 PolarHBondContact O-N 3.33Å; C221-L225 VanDerWaalsContact O-N 3.11Å |
| 222 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.3 | -43.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | L210 A213 V214 E218 D219 L225 L226 M254 | L210-A222 HydrophobicContact CD1-CB 4.06Å; A213-A222 HydrophobicContact CB-CB 3.79Å; V214-A222 HydrophobicContact CG2-CB 3.97Å; E218-A222 PolarHBondContact O-N 3.12Å; E218-A222 VanDerWaalsContact O-N 3.08Å; D219-A222 PolarHBondContact O-N 2.95Å; A222-L225 PolarHBondContact O-N 3.11Å; A222-L226 WeakPolarHBondContact O-CG 3.27Å; A222-L226 PolarHBondContact O-N 3.24Å; A222-M254 HydrophobicContact CB-CE 3.61Å; A222-M254 HydrophobicContact CB-SD 3.81Å |
| 223 | L | 98.2 | Very high | 97.1 | Very high | 30 Ų | 30 | 35.2 Ų | 35.2 | 16% | 0.157 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.1 | -47.4 | 178 | -70.2 | 173.8 | 0 | 0 | 0 | 111.9 | D219 L225 L226 E227 M254 A257 | D219-L223 WeakPolarHBondContact O-CB 3.29Å; D219-L223 VanDerWaalsContact O-CG 3.3Å; D219-L223 WeakPolarHBondContact O-CG 3.31Å; D219-L223 PolarHBondContact O-N 3Å; L223-L225 VanDerWaalsContact C-N 3.28Å; L223-L225 PolarHBondContact O-N 2.97Å; L223-L226 PolarHBondContact O-N 3.37Å; L223-L226 VanDerWaalsContact O-N 3.15Å; L223-E227 WeakPolarHBondContact O-CG 3.05Å; L223-E227 PolarHBondContact O-N 2.64Å; L223-M254 HydrophobicContact CG-CE 4.44Å; L223-A257 HydrophobicContact CD2-CB 3.71Å |
| 224 | M | 97.9 | Very high | 97.1 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 9% | 0.094 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.6 | -39.9 | 175.3 | -73.6 | -172.5 | -65.4 | 0 | 0 | 112.3 | S186 V189 K190 L193 E220 L226 E227 H228 | S186-M224 VanDerWaalsContact CB-CE 3.48Å; V189-M224 HydrophobicContact CB-CE 3.95Å; V189-M224 HydrophobicContact CG1-CE 3.85Å; K190-M224 HydrophobicContact CB-SD 4.06Å; L193-M224 HydrophobicContact CD1-CB 4.04Å; E220-M224 HydrophobicContact CG-CE 4.4Å; E220-M224 WeakPolarHBondContact O-CG 3.22Å; E220-M224 PolarHBondContact O-N 2.87Å; E220-M224 VanDerWaalsContact O-N 3.1Å; M224-L226 VanDerWaalsContact C-N 3.35Å; M224-E227 PolarHBondContact O-N 3.11Å; M224-H228 PolarHBondContact O-CD2 3.09Å; M224-H228 VanDerWaalsContact O-CD2 3.26Å; M224-H228 PolarHBondContact O-N 2.88Å; M224-H228 VanDerWaalsContact O-N 3.15Å |
| 225 | L | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.6 | -39.5 | 177.7 | -75.1 | 168.9 | 0 | 0 | 0 | 112.3 | L177 V189 L193 L199 A209 L210 A213 C221 A222 L223 H228 G229 T230 | L177-L225 HydrophobicContact CD1-CD2 4.14Å; L177-L225 HydrophobicContact CD2-CD2 3.9Å; L177-L225 HydrophobicContact CG-CD2 4.24Å; V189-L225 HydrophobicContact CG1-CG 4.48Å; L193-L225 HydrophobicContact CD1-CD2 4.48Å; L193-L225 HydrophobicContact CD2-CD2 4.05Å; L199-L225 HydrophobicContact CD2-CD2 4.48Å; A209-L225 HydrophobicContact CB-CD1 4.15Å; L210-L225 HydrophobicContact CB-CB 4.47Å; L210-L225 HydrophobicContact CB-CD1 4.15Å; L210-L225 HydrophobicContact CD1-CB 4.28Å; A213-L225 HydrophobicContact CB-CD1 4.35Å; C221-L225 WeakPolarHBondContact O-CB 3.41Å; C221-L225 WeakPolarHBondContact O-CD1 3.32Å; C221-L225 VanDerWaalsContact O-CG 3.22Å; C221-L225 WeakPolarHBondContact O-CG 3.45Å; C221-L225 PolarHBondContact O-N 3.33Å; C221-L225 VanDerWaalsContact O-N 3.11Å; A222-L225 PolarHBondContact O-N 3.11Å; L223-L225 VanDerWaalsContact C-N 3.28Å; L223-L225 PolarHBondContact O-N 2.97Å; L225-H228 PolarHBondContact O-N 3.41Å; L225-G229 PolarHBondContact O-N 3.2Å; L225-T230 VanDerWaalsContact O-CB 3.25Å; L225-T230 WeakPolarHBondContact O-CB 3.46Å; L225-T230 PolarHBondContact O-N 3.23Å; L225-T230 VanDerWaalsContact O-N 3.11Å; L225-T230 PolarHBondContact O-OG1 2.99Å |
| 226 | L | 98 | Very high | 97.1 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.2 | -44.1 | 176.7 | -70.1 | 170.1 | 0 | 0 | 0 | 111.7 | L210 A222 L223 M224 H228 G229 P232 A257 L258 Y261 | L210-L226 HydrophobicContact CD1-CD1 4.4Å; L210-L226 HydrophobicContact CD1-CD2 4.03Å; L210-L226 HydrophobicContact CD1-CG 3.87Å; L210-L226 HydrophobicContact CD2-CD2 3.6Å; L210-L226 HydrophobicContact CD2-CG 4.36Å; L210-L226 HydrophobicContact CG-CD2 4.48Å; A222-L226 WeakPolarHBondContact O-CG 3.27Å; A222-L226 PolarHBondContact O-N 3.24Å; L223-L226 PolarHBondContact O-N 3.37Å; L223-L226 VanDerWaalsContact O-N 3.15Å; M224-L226 VanDerWaalsContact C-N 3.35Å; L226-H228 PolarHBondContact O-N 3.37Å; L226-G229 PolarHBondContact O-N 3.11Å; L226-P232 HydrophobicContact CD2-CB 4.28Å; L226-A257 HydrophobicContact CD1-CB 4.39Å; L226-L258 HydrophobicContact CD1-CD2 4Å; L226-L258 HydrophobicContact CD1-CG 4.48Å; L226-L258 HydrophobicContact CD2-CD2 4.02Å; L226-Y261 HydrophobicContact CB-CD1 4.07Å; L226-Y261 HydrophobicContact CB-CD2 3.67Å; L226-Y261 HydrophobicContact CB-CE1 4.29Å; L226-Y261 HydrophobicContact CB-CE2 3.9Å; L226-Y261 HydrophobicContact CB-CG 3.77Å; L226-Y261 HydrophobicContact CD1-CD2 3.95Å; L226-Y261 HydrophobicContact CD1-CG 4.49Å; L226-Y261 HydrophobicContact CD2-CG 4.25Å; L226-Y261 HydrophobicContact CG-CD2 4.25Å; L226-Y261 HydrophobicContact CG-CG 4.39Å; L226-Y261 WeakPolarHBondContact O-CE1 3.47Å |
| 227 | E | 97 | Very high | 97.1 | Very high | 71 Ų | 71 | 42.2 Ų | 42.2 | 33% | 0.332 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.1 | -32.4 | 175.7 | -74.6 | 171.4 | 178.9 | 0 | 0 | 112.5 | L223 M224 G229 Y261 | L223-E227 WeakPolarHBondContact O-CG 3.05Å; L223-E227 PolarHBondContact O-N 2.64Å; M224-E227 PolarHBondContact O-N 3.11Å; E227-G229 VanDerWaalsContact C-N 3.31Å; E227-G229 PolarHBondContact O-N 3.2Å; E227-Y261 WeakPolarHBondContact CG-OH 3.45Å |
| 228 | H | 96.7 | Very high | 97 | Very high | 92 Ų | 92 | 38.8 Ų | 38.8 | 43% | 0.426 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 6.8 | 176.3 | -82.7 | -95.7 | 0 | 0 | 0 | 114.6 | L193 L199 M224 L225 L226 | L193-H228 HydrophobicContact CD1-CB 4.38Å; L193-H228 HydrophobicContact CD2-CB 4.17Å; L199-H228 HydrophobicContact CD1-CB 4.16Å; L199-H228 WeakPolarHBondContact CD1-O 3.47Å; M224-H228 PolarHBondContact O-CD2 3.09Å; M224-H228 VanDerWaalsContact O-CD2 3.26Å; M224-H228 PolarHBondContact O-N 2.88Å; M224-H228 VanDerWaalsContact O-N 3.15Å; L225-H228 PolarHBondContact O-N 3.41Å; L226-H228 PolarHBondContact O-N 3.37Å |
| 229 | G | 93.8 | Very high | 96.9 | Very high | 58 Ų | 58 | 37.3 Ų | 37.3 | 60% | 0.598 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 30.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L225 L226 E227 | L225-G229 PolarHBondContact O-N 3.2Å; L226-G229 PolarHBondContact O-N 3.11Å; E227-G229 VanDerWaalsContact C-N 3.31Å; E227-G229 PolarHBondContact O-N 3.2Å |
| 230 | T | 95.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | trans | -64.8 | 139.7 | 169.4 | -54.5 | 0 | 0 | 0 | 0 | 110.1 | L199 N200 L210 L225 P232 | L199-T230 HydrophobicContact CB-CG2 4.32Å; N200-T230 WeakPolarHBondContact OD1-CG2 3.38Å; L210-T230 HydrophobicContact CB-CG2 3.68Å; L210-T230 HydrophobicContact CD2-CG2 3.85Å; L210-T230 HydrophobicContact CG-CG2 4.41Å; L225-T230 VanDerWaalsContact O-CB 3.25Å; L225-T230 WeakPolarHBondContact O-CB 3.46Å; L225-T230 PolarHBondContact O-N 3.23Å; L225-T230 VanDerWaalsContact O-N 3.11Å; L225-T230 PolarHBondContact O-OG1 2.99Å; T230-P232 VanDerWaalsContact O-CD 3.28Å; T230-P232 WeakPolarHBondContact O-CD 3.49Å | ||
| 231 | D | 97.3 | Very high | 97 | Very high | 64 Ų | 64 | 29.8 Ų | 29.8 | 34% | 0.342 | 17% | 0.169 | S | C | . | . | trans | -78 | 114.8 | 176.9 | 180 | 1.6 | 0 | 0 | 0 | 110.6 | N200 N233 I234 | N200-D231 PolarHBondContact OD1-N 3.47Å; D231-N233 VanDerWaalsContact C-N 3.25Å; D231-N233 PolarHBondContact O-N 2.69Å; D231-N233 WeakPolarHBondContact OD1-CB 3.42Å; D231-N233 PolarHBondContact OD1-N 3.26Å; D231-I234 HydrophobicContact CB-CD1 3.89Å; D231-I234 HydrophobicContact CB-CG1 4Å | ||
| 232 | P | 98 | Very high | 97 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 5% | 0.045 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -10.4 | -179.8 | 33.4 | -36.7 | 0 | 0 | 0 | 113.9 | L210 L226 T230 L258 A263 | L210-P232 HydrophobicContact CD2-CB 4.04Å; L226-P232 HydrophobicContact CD2-CB 4.28Å; T230-P232 VanDerWaalsContact O-CD 3.28Å; T230-P232 WeakPolarHBondContact O-CD 3.49Å; P232-L258 HydrophobicContact CB-CD2 3.96Å; P232-A263 HydrophobicContact CB-CB 3.99Å; P232-A263 HydrophobicContact CG-CB 4Å |
| 233 | N | 98.3 | Very high | 97 | Very high | 55 Ų | 55 | 29.8 Ų | 29.8 | 29% | 0.294 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -2.1 | -172.5 | -63.4 | -50.5 | 0 | 0 | 0 | 113.9 | D231 P235 G262 A263 D264 | D231-N233 VanDerWaalsContact C-N 3.25Å; D231-N233 PolarHBondContact O-N 2.69Å; D231-N233 WeakPolarHBondContact OD1-CB 3.42Å; D231-N233 PolarHBondContact OD1-N 3.26Å; N233-P235 WeakPolarHBondContact O-CD 3.21Å; N233-G262 PolarHBondContact ND2-O 3.46Å; N233-A263 WeakPolarHBondContact OD1-CA 3.47Å; N233-D264 WeakPolarHBondContact OD1-CB 3Å; N233-D264 PolarHBondContact OD1-N 3.39Å |
| 234 | I | 97.9 | Very high | 97 | Very high | 28 Ų | 28 | 28.3 Ų | 28.3 | 14% | 0.144 | 16% | 0.162 | C | C | . | . | trans | -67.7 | 116 | 178.8 | -62.7 | 175.4 | 0 | 0 | 0 | 109.6 | N200 L202 T208 D231 | N200-I234 HydrophobicContact CB-CD1 3.55Å; N200-I234 VanDerWaalsContact CG-CD1 3.47Å; L202-I234 HydrophobicContact CD2-CG2 3.68Å; T208-I234 HydrophobicContact CG2-CB 3.85Å; T208-I234 HydrophobicContact CG2-CD1 3.81Å; T208-I234 HydrophobicContact CG2-CG1 4.41Å; T208-I234 HydrophobicContact CG2-CG2 3.7Å; D231-I234 HydrophobicContact CB-CD1 3.89Å; D231-I234 HydrophobicContact CB-CG1 4Å | ||
| 235 | P | 97.1 | Very high | 97 | Very high | 69 Ų | 69 | 27.5 Ų | 27.5 | 45% | 0.448 | 16% | 0.158 | S | C | . | . | trans | -83 | 146.5 | -178.9 | 33.1 | -32.6 | 0 | 0 | 0 | 111.6 | N233 | N233-P235 WeakPolarHBondContact O-CD 3.21Š| ||
| 236 | D | 96.1 | Very high | 97 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | trans | -76.9 | -172.8 | 171.7 | 78 | -5.5 | 0 | 0 | 0 | 113 | R207 Y238 G239 N240 Y245 | R207-D236 HydrophobicContact CG-CB 3.54Å; D236-Y238 PolarHBondContact O-N 3.44Å; D236-Y238 VanDerWaalsContact O-N 3.13Å; D236-Y238 VanDerWaalsContact OD1-CA 3.27Å; D236-Y238 WeakPolarHBondContact OD1-CA 3.35Å; D236-Y238 WeakPolarHBondContact OD1-CB 3.46Å; D236-Y238 PolarHBondContact OD1-N 3.04Å; D236-G239 PolarHBondContact O-N 3.15Å; D236-G239 PolarHBondContact OD1-N 3.15Å; D236-N240 PolarHBondContact N-O 3.49Å; D236-N240 PolarHBondContact OD1-N 3.34Å; D236-Y245 PolarHBondContact OD2-OH 3.1Å | ||
| 237 | E | 95.3 | Very high | 97 | Very high | 60 Ų | 60 | 27.4 Ų | 27.4 | 28% | 0.28 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -15.9 | 177.8 | 73.4 | -178.8 | 151.5 | 0 | 0 | 114.3 | K205 K206 K270 | K205-E237 HydrophobicContact CB-CG 4.21Å; K205-E237 VanDerWaalsContact CB-OE1 3.28Å; K205-E237 WeakPolarHBondContact CB-OE1 3.41Å; K205-E237 WeakPolarHBondContact CD-OE1 3.18Å; K205-E237 WeakPolarHBondContact CG-OE1 3.4Å; K205-E237 WeakPolarHBondContact O-CB 3.4Å; K205-E237 PolarHBondContact O-N 3.27Å; K206-E237 HydrophobicContact CG-CB 4.46Å; E237-K270 WeakPolarHBondContact O-CD 3.4Å; E237-K270 WeakPolarHBondContact O-CE 3.27Å; E237-K270 PolarHBondContact O-NZ 2.92Å |
| 238 | Y | 93.9 | Very high | 97 | Very high | 40 Ų | 40 | 25.6 Ų | 25.6 | 16% | 0.157 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 0.8 | 177 | -56.4 | -87.6 | 0 | 0 | 0 | 112.3 | S126 A127 D236 N240 K270 | S126-Y238 PolarHBondContact OG-OH 3.48Å; A127-Y238 HydrophobicContact CB-CD1 4.06Å; A127-Y238 HydrophobicContact CB-CD2 3.37Å; A127-Y238 HydrophobicContact CB-CE1 4.26Å; A127-Y238 HydrophobicContact CB-CE2 3.64Å; A127-Y238 HydrophobicContact CB-CG 3.59Å; D236-Y238 PolarHBondContact O-N 3.44Å; D236-Y238 VanDerWaalsContact O-N 3.13Å; D236-Y238 VanDerWaalsContact OD1-CA 3.27Å; D236-Y238 WeakPolarHBondContact OD1-CA 3.35Å; D236-Y238 WeakPolarHBondContact OD1-CB 3.46Å; D236-Y238 PolarHBondContact OD1-N 3.04Å; Y238-N240 VanDerWaalsContact C-N 3.26Å; Y238-N240 WeakPolarHBondContact CB-ND2 3.46Å; Y238-K270 VanDerWaalsContact O-CB 3.26Å; Y238-K270 WeakPolarHBondContact O-CB 3.25Å; Y238-K270 VanDerWaalsContact O-CG 3.3Å; Y238-K270 WeakPolarHBondContact O-CG 3.44Å; Y238-K270 PolarHBondContact O-N 2.86Å |
| 239 | G | 95.4 | Very high | 96.9 | Very high | 11 Ų | 11 | 22.9 Ų | 22.9 | 11% | 0.113 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 79.6 | 5.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D236 N269 | D236-G239 PolarHBondContact O-N 3.15Å; D236-G239 PolarHBondContact OD1-N 3.15Å; G239-N269 WeakPolarHBondContact O-CA 3.26Å |
| 240 | N | 97 | Very high | 97 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.011 | 13% | 0.125 | C | C | . | . | trans | -80.2 | 128.2 | 179.3 | -65.3 | -48.3 | 0 | 0 | 0 | 109.9 | D236 Y238 H244 Y245 N269 | D236-N240 PolarHBondContact N-O 3.49Å; D236-N240 PolarHBondContact OD1-N 3.34Å; Y238-N240 VanDerWaalsContact C-N 3.26Å; Y238-N240 WeakPolarHBondContact CB-ND2 3.46Å; N240-H244 HydrophobicContact CB-CB 3.92Å; N240-Y245 HydrophobicContact CB-CD2 4.36Å; N240-Y245 HydrophobicContact CB-CE2 3.87Å; N240-N269 VanDerWaalsContact OD1-CB 3.3Å; N240-N269 WeakPolarHBondContact OD1-CB 3.48Å; N240-N269 PolarHBondContact OD1-ND2 3.21Å | ||
| 241 | T | 98.3 | Very high | 97 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 3% | 0.025 | 13% | 0.13 | C | C | . | . | trans | -87.5 | 173 | 170.5 | 63.4 | 0 | 0 | 0 | 0 | 110.8 | L243 H244 Y245 S267 | T241-L243 PolarHBondContact O-N 3.06Å; T241-H244 PolarHBondContact N-ND1 2.99Å; T241-H244 WeakPolarHBondContact O-CB 3.42Å; T241-H244 PolarHBondContact O-N 2.93Å; T241-H244 VanDerWaalsContact O-N 3.09Å; T241-H244 PolarHBondContact OG1-ND1 3.32Å; T241-Y245 WeakPolarHBondContact O-CD2 3.44Å; T241-Y245 PolarHBondContact O-N 3.38Å; T241-S267 PolarHBondContact OG1-OG 3.03Å | ||
| 242 | A | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.4 | -35.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | L210 V214 H244 Y245 A246 L258 | L210-A242 HydrophobicContact CD2-CB 4.36Å; L210-A242 HydrophobicContact CG-CB 4.27Å; V214-A242 WeakPolarHBondContact CG1-O 3.3Å; V214-A242 HydrophobicContact CG2-CB 4.32Å; A242-H244 PolarHBondContact O-N 3.32Å; A242-Y245 PolarHBondContact O-N 2.93Å; A242-A246 PolarHBondContact O-N 2.92Å; A242-L258 HydrophobicContact CB-CD1 4.1Å; A242-L258 HydrophobicContact CB-CD2 3.73Å |
| 243 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 177.5 | -175.2 | 58.4 | 0 | 0 | 0 | 112 | T241 Y245 A246 I247 A255 L258 L259 A263 P275 | T241-L243 PolarHBondContact O-N 3.06Å; L243-Y245 VanDerWaalsContact C-N 3.29Å; L243-Y245 PolarHBondContact O-N 3.33Å; L243-A246 PolarHBondContact O-N 3.2Å; L243-I247 HydrophobicContact CD1-CD1 4.4Å; L243-I247 HydrophobicContact CD1-CG1 4.33Å; L243-I247 HydrophobicContact CG-CG1 4.48Å; L243-I247 VanDerWaalsContact O-CG1 3.3Å; L243-I247 WeakPolarHBondContact O-CG1 3.5Å; L243-I247 PolarHBondContact O-N 3.5Å; L243-A255 HydrophobicContact CD1-CB 3.92Å; L243-L258 HydrophobicContact CB-CD1 4.49Å; L243-L258 HydrophobicContact CD1-CB 4.44Å; L243-L258 HydrophobicContact CD1-CD1 4.48Å; L243-L259 HydrophobicContact CD1-CG 4.45Å; L243-L259 HydrophobicContact CD2-CD2 3.72Å; L243-L259 HydrophobicContact CD2-CG 4.44Å; L243-A263 HydrophobicContact CB-CB 4.35Å; L243-A263 HydrophobicContact CD2-CB 4.4Å; L243-P275 HydrophobicContact CD2-CB 4.06Å; L243-P275 HydrophobicContact CD2-CG 3.68Å; L243-P275 HydrophobicContact CG-CB 4.1Å; L243-P275 HydrophobicContact CG-CG 3.94Å |
| 244 | H | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.3 | -43.3 | 175.7 | -71 | 80.9 | 0 | 0 | 0 | 111.8 | N240 T241 A242 I247 Y248 S267 L273 L278 | N240-H244 HydrophobicContact CB-CB 3.92Å; T241-H244 PolarHBondContact N-ND1 2.99Å; T241-H244 WeakPolarHBondContact O-CB 3.42Å; T241-H244 PolarHBondContact O-N 2.93Å; T241-H244 VanDerWaalsContact O-N 3.09Å; T241-H244 PolarHBondContact OG1-ND1 3.32Å; A242-H244 PolarHBondContact O-N 3.32Å; H244-I247 PolarHBondContact O-N 3.49Å; H244-Y248 WeakPolarHBondContact O-CB 3.32Å; H244-Y248 PolarHBondContact O-N 3.47Å; H244-S267 PolarHBondContact CE1-O 2.86Å; H244-S267 VanDerWaalsContact CE1-O 3.22Å; H244-S267 PolarHBondContact CE1-OG 3.16Å; H244-S267 PolarHBondContact NE2-O 3Å; H244-L273 PolarHBondContact NE2-O 2.9Å; H244-L278 HydrophobicContact CB-CD2 3.87Å; H244-L278 VanDerWaalsContact O-CD2 3.31Å; H244-L278 WeakPolarHBondContact O-CD2 3.5Å |
| 245 | Y | 97.9 | Very high | 97 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.008 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.8 | -41.7 | 177.2 | -77.4 | -73.4 | 0 | 0 | 0 | 113 | A127 F128 T211 Q215 D236 N240 T241 A242 L243 I247 Y248 N249 | A127-Y245 WeakPolarHBondContact O-CE1 3.3Å; A127-Y245 PolarHBondContact O-OH 3.3Å; F128-Y245 AromaticContact CD1-CD1 3.62Å; F128-Y245 HydrophobicContact CD1-CD1 3.62Å; F128-Y245 AromaticContact CD1-CE1 3.58Å; F128-Y245 HydrophobicContact CD1-CE1 3.58Å; F128-Y245 AromaticContact CE1-CD1 3.91Å; F128-Y245 HydrophobicContact CE1-CD1 3.91Å; F128-Y245 AromaticContact CE1-CE1 3.96Å; F128-Y245 HydrophobicContact CE1-CE1 3.96Å; F128-Y245 HydrophobicContact CE1-CG 4.46Å; F128-Y245 HydrophobicContact CG-CE1 4.45Å; T211-Y245 HydrophobicContact CG2-CD2 3.51Å; T211-Y245 HydrophobicContact CG2-CE2 3.4Å; Q215-Y245 HydrophobicContact CB-CD1 3.88Å; Q215-Y245 HydrophobicContact CB-CE1 4.17Å; Q215-Y245 HydrophobicContact CB-CG 4.22Å; Q215-Y245 HydrophobicContact CG-CD1 3.71Å; Q215-Y245 HydrophobicContact CG-CE1 3.68Å; D236-Y245 PolarHBondContact OD2-OH 3.1Å; N240-Y245 HydrophobicContact CB-CD2 4.36Å; N240-Y245 HydrophobicContact CB-CE2 3.87Å; T241-Y245 WeakPolarHBondContact O-CD2 3.44Å; T241-Y245 PolarHBondContact O-N 3.38Å; A242-Y245 PolarHBondContact O-N 2.93Å; L243-Y245 VanDerWaalsContact C-N 3.29Å; L243-Y245 PolarHBondContact O-N 3.33Å; Y245-I247 VanDerWaalsContact C-N 3.31Å; Y245-I247 PolarHBondContact O-N 2.97Å; Y245-Y248 PolarHBondContact O-N 2.92Å; Y245-N249 WeakPolarHBondContact O-CB 3.32Å; Y245-N249 PolarHBondContact O-N 3.11Å; Y245-N249 PolarHBondContact O-ND2 3.45Å |
| 246 | A | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.1 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V214 A242 L243 N249 E250 D251 M254 A255 L258 | V214-A246 HydrophobicContact CG1-CB 3.9Å; A242-A246 PolarHBondContact O-N 2.92Å; L243-A246 PolarHBondContact O-N 3.2Å; A246-N249 PolarHBondContact O-N 2.85Å; A246-E250 PolarHBondContact O-N 3.33Å; A246-D251 PolarHBondContact O-N 3.33Å; A246-M254 HydrophobicContact CB-CB 4.24Å; A246-M254 HydrophobicContact CB-CG 4.14Å; A246-A255 HydrophobicContact CB-CB 4.16Å; A246-L258 HydrophobicContact CB-CD1 3.76Å |
| 247 | I | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.5 | -45.9 | 175.9 | -62.3 | -53.4 | 0 | 0 | 0 | 111.6 | L243 H244 Y245 N249 E250 A255 P275 G279 V287 L291 | L243-I247 HydrophobicContact CD1-CD1 4.4Å; L243-I247 HydrophobicContact CD1-CG1 4.33Å; L243-I247 HydrophobicContact CG-CG1 4.48Å; L243-I247 VanDerWaalsContact O-CG1 3.3Å; L243-I247 WeakPolarHBondContact O-CG1 3.5Å; L243-I247 PolarHBondContact O-N 3.5Å; H244-I247 PolarHBondContact O-N 3.49Å; Y245-I247 VanDerWaalsContact C-N 3.31Å; Y245-I247 PolarHBondContact O-N 2.97Å; I247-N249 VanDerWaalsContact C-N 3.25Å; I247-N249 PolarHBondContact O-N 3.44Å; I247-E250 PolarHBondContact O-N 3.44Å; I247-A255 HydrophobicContact CD1-CB 3.97Å; I247-P275 HydrophobicContact CG1-CB 4.09Å; I247-P275 WeakPolarHBondContact CG2-O 3.39Å; I247-G279 VanDerWaalsContact CG2-CA 3.49Å; I247-V287 HydrophobicContact CD1-CB 3.78Å; I247-V287 HydrophobicContact CD1-CG1 4.31Å; I247-V287 HydrophobicContact CD1-CG2 4.23Å; I247-V287 HydrophobicContact CG2-CG2 3.86Å; I247-L291 HydrophobicContact CD1-CD1 3.65Å; I247-L291 HydrophobicContact CD1-CD2 4.13Å; I247-L291 HydrophobicContact CD1-CG 3.98Å; I247-L291 HydrophobicContact CG1-CD1 4.1Å |
| 248 | Y | 96.3 | Very high | 97.3 | Very high | 32 Ų | 32 | 21.5 Ų | 21.5 | 13% | 0.125 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.1 | -41.3 | 177.3 | -176.8 | -87.9 | 0 | 0 | 0 | 112.1 | F128 M129 H244 Y245 E250 E282 K284 | F128-Y248 HydrophobicContact CB-CD1 3.71Å; F128-Y248 HydrophobicContact CB-CD2 3.93Å; F128-Y248 HydrophobicContact CB-CE1 3.43Å; F128-Y248 VanDerWaalsContact CB-CE1 3.43Å; F128-Y248 HydrophobicContact CB-CE2 3.66Å; F128-Y248 HydrophobicContact CB-CG 3.96Å; F128-Y248 VanDerWaalsContact CB-CZ 3.4Å; F128-Y248 AromaticContact CD1-CD1 3.79Å; F128-Y248 HydrophobicContact CD1-CD1 3.79Å; F128-Y248 AromaticContact CD1-CD2 3.61Å; F128-Y248 HydrophobicContact CD1-CD2 3.61Å; F128-Y248 HydrophobicContact CD1-CE1 4.39Å; F128-Y248 HydrophobicContact CD1-CE2 4.23Å; F128-Y248 AromaticContact CD1-CG 3.36Å; F128-Y248 HydrophobicContact CD1-CG 3.36Å; F128-Y248 AromaticContact CD2-CD2 3.73Å; F128-Y248 HydrophobicContact CD2-CD2 3.73Å; F128-Y248 AromaticContact CD2-CE2 3.77Å; F128-Y248 HydrophobicContact CD2-CE2 3.77Å; F128-Y248 HydrophobicContact CD2-CG 4.34Å; F128-Y248 AromaticContact CE1-CD2 4Å; F128-Y248 HydrophobicContact CE1-CD2 4Å; F128-Y248 AromaticContact CE1-CG 3.89Å; F128-Y248 HydrophobicContact CE1-CG 3.89Å; F128-Y248 HydrophobicContact CE2-CD2 4.1Å; F128-Y248 HydrophobicContact CE2-CE2 4.48Å; F128-Y248 AromaticContact CG-CD1 3.93Å; F128-Y248 HydrophobicContact CG-CD1 3.93Å; F128-Y248 AromaticContact CG-CD2 3.48Å; F128-Y248 HydrophobicContact CG-CD2 3.48Å; F128-Y248 VanDerWaalsContact CG-CD2 3.48Å; F128-Y248 HydrophobicContact CG-CE1 4.07Å; F128-Y248 AromaticContact CG-CE2 3.63Å; F128-Y248 HydrophobicContact CG-CE2 3.63Å; F128-Y248 AromaticContact CG-CG 3.64Å; F128-Y248 HydrophobicContact CG-CG 3.64Å; F128-Y248 AromaticContact CG-CZ 3.93Å; F128-Y248 HydrophobicContact CZ-CD2 4.23Å; M129-Y248 WeakPolarHBondContact CE-OH 3.48Å; H244-Y248 WeakPolarHBondContact O-CB 3.32Å; H244-Y248 PolarHBondContact O-N 3.47Å; Y245-Y248 PolarHBondContact O-N 2.92Å; Y248-E250 PolarHBondContact O-N 3.3Å; Y248-E282 HydrophobicContact CD2-CG 3.84Å; Y248-E282 HydrophobicContact CE2-CG 4.08Å; Y248-K284 WeakPolarHBondContact O-CE 3.48Å; Y248-K284 PolarHBondContact O-NZ 3.28Å |
| 249 | N | 94.9 | Very high | 97.5 | Very high | 36 Ų | 36 | 21.3 Ų | 21.3 | 19% | 0.193 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -4.3 | 177.5 | -71.1 | -20.6 | 0 | 0 | 0 | 114 | V214 Q217 Y245 A246 I247 D251 | V214-N249 PolarHBondContact O-ND2 3.36Å; Q217-N249 HydrophobicContact CG-CB 4.23Å; Q217-N249 WeakPolarHBondContact CG-ND2 3.31Å; Y245-N249 WeakPolarHBondContact O-CB 3.32Å; Y245-N249 PolarHBondContact O-N 3.11Å; Y245-N249 PolarHBondContact O-ND2 3.45Å; A246-N249 PolarHBondContact O-N 2.85Å; I247-N249 VanDerWaalsContact C-N 3.25Å; I247-N249 PolarHBondContact O-N 3.44Å; N249-D251 HydrophobicContact CB-CB 4.42Å; N249-D251 PolarHBondContact O-N 2.81Å |
| 250 | E | 95.8 | Very high | 97.7 | Very high | 78 Ų | 78 | 25.9 Ų | 25.9 | 36% | 0.364 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 24.5 | -170.4 | -155.2 | 166 | -168.2 | 0 | 0 | 113.7 | A246 I247 Y248 K252 K284 Q286 V287 | A246-E250 PolarHBondContact O-N 3.33Å; I247-E250 PolarHBondContact O-N 3.44Å; Y248-E250 PolarHBondContact O-N 3.3Å; E250-K252 PolarHBondContact O-N 2.95Å; E250-K252 VanDerWaalsContact O-N 3.14Å; E250-K284 HydrophobicContact CB-CD 4.13Å; E250-K284 HydrophobicContact CG-CB 4.16Å; E250-K284 HydrophobicContact CG-CD 4.39Å; E250-Q286 HydrophobicContact CG-CB 4.34Å; E250-Q286 PolarHBondContact OE1-N 2.97Å; E250-V287 HydrophobicContact CG-CG1 4.26Å; E250-V287 HydrophobicContact CG-CG2 4.43Å |
| 251 | D | 96.8 | Very high | 97.7 | Very high | 27 Ų | 27 | 29.3 Ų | 29.3 | 14% | 0.144 | 14% | 0.14 | C | C | . | . | trans | -87.1 | 89 | -179 | -169.8 | -14 | 0 | 0 | 0 | 111.4 | A246 N249 L253 M254 A255 | A246-D251 PolarHBondContact O-N 3.33Å; N249-D251 HydrophobicContact CB-CB 4.42Å; N249-D251 PolarHBondContact O-N 2.81Å; D251-L253 VanDerWaalsContact C-N 3.29Å; D251-L253 PolarHBondContact O-N 3.14Å; D251-L253 PolarHBondContact OD1-N 3.31Å; D251-M254 HydrophobicContact CB-CB 4.08Å; D251-M254 VanDerWaalsContact CG-CB 3.4Å; D251-M254 PolarHBondContact OD1-N 2.82Å; D251-M254 VanDerWaalsContact OD2-CB 3.23Å; D251-M254 WeakPolarHBondContact OD2-CB 3.45Å; D251-A255 VanDerWaalsContact O-CB 3.31Å; D251-A255 WeakPolarHBondContact O-CB 3.13Å; D251-A255 PolarHBondContact O-N 3.1Å | ||
| 252 | K | 97.4 | Very high | 97.7 | Very high | 96 Ų | 96 | 31.3 Ų | 31.3 | 42% | 0.417 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.4 | -33.3 | 176.6 | -177.7 | -175.8 | 169.1 | -166.6 | 0 | 113.1 | E250 K256 V287 F290 | E250-K252 PolarHBondContact O-N 2.95Å; E250-K252 VanDerWaalsContact O-N 3.14Å; K252-K256 WeakPolarHBondContact O-CB 3.45Å; K252-K256 PolarHBondContact O-N 3.06Å; K252-V287 HydrophobicContact CB-CG1 4.11Å; K252-F290 HydrophobicContact CD-CB 4.16Å; K252-F290 HydrophobicContact CD-CD2 4.46Å; K252-F290 HydrophobicContact CD-CG 4.4Å; K252-F290 HydrophobicContact CG-CB 4Å; K252-F290 HydrophobicContact CG-CD1 4.32Å; K252-F290 HydrophobicContact CG-CD2 4.11Å; K252-F290 HydrophobicContact CG-CG 3.87Å |
| 253 | L | 97.3 | Very high | 97.7 | Very high | 87 Ų | 87 | 31.8 Ų | 31.8 | 46% | 0.455 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -73.2 | -45.2 | -176.4 | -66.2 | 178.8 | 0 | 0 | 0 | 109.9 | D251 K256 A257 V415 | D251-L253 VanDerWaalsContact C-N 3.29Å; D251-L253 PolarHBondContact O-N 3.14Å; D251-L253 PolarHBondContact OD1-N 3.31Å; L253-K256 WeakPolarHBondContact O-CB 3.5Å; L253-K256 PolarHBondContact O-N 3.27Å; L253-A257 PolarHBondContact O-N 2.8Å; L253-V415 HydrophobicContact CD2-CG2 3.83Å |
| 254 | M | 98.4 | Very high | 97.7 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.9 | -41.9 | 174.3 | -171.3 | 53.9 | 59.8 | 0 | 0 | 111.8 | V214 D219 A222 L223 A246 D251 K256 A257 L258 | V214-M254 HydrophobicContact CG1-CG 4Å; V214-M254 HydrophobicContact CG2-CG 3.97Å; V214-M254 HydrophobicContact CG2-SD 4.08Å; D219-M254 HydrophobicContact CB-CE 3.76Å; D219-M254 WeakPolarHBondContact OD1-CE 3.39Å; A222-M254 HydrophobicContact CB-CE 3.61Å; A222-M254 HydrophobicContact CB-SD 3.81Å; L223-M254 HydrophobicContact CG-CE 4.44Å; A246-M254 HydrophobicContact CB-CB 4.24Å; A246-M254 HydrophobicContact CB-CG 4.14Å; D251-M254 HydrophobicContact CB-CB 4.08Å; D251-M254 VanDerWaalsContact CG-CB 3.4Å; D251-M254 PolarHBondContact OD1-N 2.82Å; D251-M254 VanDerWaalsContact OD2-CB 3.23Å; D251-M254 WeakPolarHBondContact OD2-CB 3.45Å; M254-K256 VanDerWaalsContact C-N 3.27Å; M254-K256 PolarHBondContact O-N 2.63Å; M254-A257 PolarHBondContact O-N 2.99Å; M254-A257 VanDerWaalsContact O-N 3.14Å; M254-A257 HydrophobicContact SD-CB 4.49Å; M254-L258 HydrophobicContact CG-CD1 4.03Å; M254-L258 HydrophobicContact CG-CG 4.38Å; M254-L258 WeakPolarHBondContact O-CB 3.43Å; M254-L258 WeakPolarHBondContact O-CG 3.38Å; M254-L258 PolarHBondContact O-N 2.78Å; M254-L258 HydrophobicContact SD-CG 4.35Å |
| 255 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.4 | -40 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L243 A246 I247 D251 L259 F290 | L243-A255 HydrophobicContact CD1-CB 3.92Å; A246-A255 HydrophobicContact CB-CB 4.16Å; I247-A255 HydrophobicContact CD1-CB 3.97Å; D251-A255 VanDerWaalsContact O-CB 3.31Å; D251-A255 WeakPolarHBondContact O-CB 3.13Å; D251-A255 PolarHBondContact O-N 3.1Å; A255-L259 WeakPolarHBondContact O-CG 3.48Å; A255-L259 PolarHBondContact O-N 3.13Å; A255-L259 VanDerWaalsContact O-N 3.14Å; A255-F290 HydrophobicContact CB-CD1 4.37Å; A255-F290 HydrophobicContact CB-CE1 3.99Å |
| 256 | K | 98.3 | Very high | 97.7 | Very high | 28 Ų | 28 | 39.4 Ų | 39.4 | 12% | 0.122 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.9 | -44.6 | 174.2 | 179.4 | 178.3 | 168.1 | -179.8 | 0 | 112.1 | K252 L253 M254 L260 F290 D412 V415 | K252-K256 WeakPolarHBondContact O-CB 3.45Å; K252-K256 PolarHBondContact O-N 3.06Å; L253-K256 WeakPolarHBondContact O-CB 3.5Å; L253-K256 PolarHBondContact O-N 3.27Å; M254-K256 VanDerWaalsContact C-N 3.27Å; M254-K256 PolarHBondContact O-N 2.63Å; K256-L260 PolarHBondContact O-N 3.27Å; K256-L260 VanDerWaalsContact O-N 3.12Å; K256-F290 HydrophobicContact CB-CE1 4.5Å; K256-F290 HydrophobicContact CB-CE2 4.13Å; K256-F290 HydrophobicContact CB-CZ 3.71Å; K256-F290 HydrophobicContact CG-CE2 4.45Å; K256-F290 HydrophobicContact CG-CZ 4.27Å; K256-D412 VanDerWaalsContact NZ-CA 3.27Å; K256-D412 PolarHBondContact NZ-O 2.9Å; K256-D412 IonicContact NZ-OD1 3.95Å; K256-D412 PolarHBondContact NZ-OD1 2.94Å; K256-V415 HydrophobicContact CD-CB 4.44Å; K256-V415 HydrophobicContact CD-CG2 4.04Å |
| 257 | A | 98.3 | Very high | 97.6 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.9 | -48.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L223 L226 L253 M254 L259 L260 Y261 | L223-A257 HydrophobicContact CD2-CB 3.71Å; L226-A257 HydrophobicContact CD1-CB 4.39Å; L253-A257 PolarHBondContact O-N 2.8Å; M254-A257 PolarHBondContact O-N 2.99Å; M254-A257 VanDerWaalsContact O-N 3.14Å; M254-A257 HydrophobicContact SD-CB 4.49Å; A257-L259 VanDerWaalsContact C-N 3.34Å; A257-L259 PolarHBondContact O-N 2.94Å; A257-L260 WeakPolarHBondContact O-CB 3.23Å; A257-L260 PolarHBondContact O-N 3.21Å; A257-Y261 VanDerWaalsContact O-CD2 3.29Å; A257-Y261 WeakPolarHBondContact O-CD2 3.4Å; A257-Y261 PolarHBondContact O-N 2.91Å |
| 258 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.2 | -45.8 | 178.7 | -72.1 | 166.7 | 0 | 0 | 0 | 112.4 | L210 V214 L226 P232 A242 L243 A246 M254 L260 Y261 G262 A263 | L210-L258 HydrophobicContact CD2-CD2 4.36Å; V214-L258 HydrophobicContact CG1-CD1 4.48Å; V214-L258 HydrophobicContact CG2-CD1 4.39Å; L226-L258 HydrophobicContact CD1-CD2 4Å; L226-L258 HydrophobicContact CD1-CG 4.48Å; L226-L258 HydrophobicContact CD2-CD2 4.02Å; P232-L258 HydrophobicContact CB-CD2 3.96Å; A242-L258 HydrophobicContact CB-CD1 4.1Å; A242-L258 HydrophobicContact CB-CD2 3.73Å; L243-L258 HydrophobicContact CB-CD1 4.49Å; L243-L258 HydrophobicContact CD1-CB 4.44Å; L243-L258 HydrophobicContact CD1-CD1 4.48Å; A246-L258 HydrophobicContact CB-CD1 3.76Å; M254-L258 HydrophobicContact CG-CD1 4.03Å; M254-L258 HydrophobicContact CG-CG 4.38Å; M254-L258 WeakPolarHBondContact O-CB 3.43Å; M254-L258 WeakPolarHBondContact O-CG 3.38Å; M254-L258 PolarHBondContact O-N 2.78Å; M254-L258 HydrophobicContact SD-CG 4.35Å; L258-L260 VanDerWaalsContact C-N 3.31Å; L258-L260 PolarHBondContact O-N 3.04Å; L258-Y261 CarbonylContact O-C 3.58Å; L258-Y261 PolarHBondContact O-N 2.82Å; L258-G262 PolarHBondContact O-N 2.86Å; L258-A263 VanDerWaalsContact C-CB 3.45Å; L258-A263 HydrophobicContact CB-CB 3.87Å; L258-A263 WeakPolarHBondContact O-CB 3.3Å; L258-A263 PolarHBondContact O-N 3.2Å |
| 259 | L | 98.3 | Very high | 97.4 | Very high | 36 Ų | 36 | 44.8 Ų | 44.8 | 19% | 0.188 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.8 | -35.3 | 176.4 | -69.6 | 176.9 | 0 | 0 | 0 | 112.7 | L243 A255 A257 Y261 G262 A263 I265 F290 K294 | L243-L259 HydrophobicContact CD1-CG 4.45Å; L243-L259 HydrophobicContact CD2-CD2 3.72Å; L243-L259 HydrophobicContact CD2-CG 4.44Å; A255-L259 WeakPolarHBondContact O-CG 3.48Å; A255-L259 PolarHBondContact O-N 3.13Å; A255-L259 VanDerWaalsContact O-N 3.14Å; A257-L259 VanDerWaalsContact C-N 3.34Å; A257-L259 PolarHBondContact O-N 2.94Å; L259-Y261 VanDerWaalsContact C-N 3.29Å; L259-Y261 PolarHBondContact O-N 3.5Å; L259-G262 PolarHBondContact O-N 3.45Å; L259-A263 WeakPolarHBondContact CD2-O 3.46Å; L259-I265 HydrophobicContact CD1-CD1 4.21Å; L259-I265 HydrophobicContact CD2-CB 3.81Å; L259-I265 HydrophobicContact CD2-CD1 4.35Å; L259-I265 HydrophobicContact CD2-CG1 4.17Å; L259-F290 HydrophobicContact CD1-CE1 3.77Å; L259-F290 HydrophobicContact CD1-CZ 3.92Å; L259-K294 HydrophobicContact CD1-CB 4.37Å; L259-K294 HydrophobicContact CD1-CG 4.07Å |
| 260 | L | 98 | Very high | 97.3 | Very high | 107 Ų | 107 | 50.5 Ų | 50.5 | 56% | 0.56 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -65.2 | -35.4 | 175.8 | -177.7 | 63.7 | 0 | 0 | 0 | 111.9 | K256 A257 L258 G262 M419 | K256-L260 PolarHBondContact O-N 3.27Å; K256-L260 VanDerWaalsContact O-N 3.12Å; A257-L260 WeakPolarHBondContact O-CB 3.23Å; A257-L260 PolarHBondContact O-N 3.21Å; L258-L260 VanDerWaalsContact C-N 3.31Å; L258-L260 PolarHBondContact O-N 3.04Å; L260-G262 VanDerWaalsContact C-N 3.26Å; L260-G262 PolarHBondContact O-N 3.23Å; L260-M419 HydrophobicContact CD2-CE 3.51Å; L260-M419 HydrophobicContact CD2-SD 3.71Å |
| 261 | Y | 98.1 | Very high | 96.9 | Very high | 74 Ų | 74 | 48.2 Ų | 48.2 | 29% | 0.29 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 21.6 | 176.4 | -74.1 | -81.7 | 0 | 0 | 0 | 113.4 | L226 E227 A257 L258 L259 M419 | L226-Y261 HydrophobicContact CB-CD1 4.07Å; L226-Y261 HydrophobicContact CB-CD2 3.67Å; L226-Y261 HydrophobicContact CB-CE1 4.29Å; L226-Y261 HydrophobicContact CB-CE2 3.9Å; L226-Y261 HydrophobicContact CB-CG 3.77Å; L226-Y261 HydrophobicContact CD1-CD2 3.95Å; L226-Y261 HydrophobicContact CD1-CG 4.49Å; L226-Y261 HydrophobicContact CD2-CG 4.25Å; L226-Y261 HydrophobicContact CG-CD2 4.25Å; L226-Y261 HydrophobicContact CG-CG 4.39Å; L226-Y261 WeakPolarHBondContact O-CE1 3.47Å; E227-Y261 WeakPolarHBondContact CG-OH 3.45Å; A257-Y261 VanDerWaalsContact O-CD2 3.29Å; A257-Y261 WeakPolarHBondContact O-CD2 3.4Å; A257-Y261 PolarHBondContact O-N 2.91Å; L258-Y261 CarbonylContact O-C 3.58Å; L258-Y261 PolarHBondContact O-N 2.82Å; L259-Y261 VanDerWaalsContact C-N 3.29Å; L259-Y261 PolarHBondContact O-N 3.5Å; Y261-M419 HydrophobicContact CE2-CE 4.29Å |
| 262 | G | 97.5 | Very high | 96.6 | Very high | 47 Ų | 47 | 47.7 Ų | 47.7 | 49% | 0.485 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 21.5 | 170 | 0 | 0 | 0 | 0 | 0 | 115.6 | N233 L258 L259 L260 | N233-G262 PolarHBondContact ND2-O 3.46Å; L258-G262 PolarHBondContact O-N 2.86Å; L259-G262 PolarHBondContact O-N 3.45Å; L260-G262 VanDerWaalsContact C-N 3.26Å; L260-G262 PolarHBondContact O-N 3.23Å |
| 263 | A | 98.4 | Very high | 96.4 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 7% | 0.074 | 23% | 0.226 | C | C | . | . | trans | -64.3 | 136.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P232 N233 L243 L258 L259 I265 | P232-A263 HydrophobicContact CB-CB 3.99Å; P232-A263 HydrophobicContact CG-CB 4Å; N233-A263 WeakPolarHBondContact OD1-CA 3.47Å; L243-A263 HydrophobicContact CB-CB 4.35Å; L243-A263 HydrophobicContact CD2-CB 4.4Å; L258-A263 VanDerWaalsContact C-CB 3.45Å; L258-A263 HydrophobicContact CB-CB 3.87Å; L258-A263 WeakPolarHBondContact O-CB 3.3Å; L258-A263 PolarHBondContact O-N 3.2Å; L259-A263 WeakPolarHBondContact CD2-O 3.46Å; A263-I265 PolarHBondContact O-N 3.44Å | ||
| 264 | D | 98.3 | Very high | 96.5 | Very high | 76 Ų | 76 | 39.3 Ų | 39.3 | 41% | 0.406 | 20% | 0.204 | S | C | . | . | trans | -77.9 | 111.4 | 178.7 | 178.2 | 13.3 | 0 | 0 | 0 | 111 | N233 E266 S267 | N233-D264 WeakPolarHBondContact OD1-CB 3Å; N233-D264 PolarHBondContact OD1-N 3.39Å; D264-E266 PolarHBondContact O-N 3.13Å; D264-E266 PolarHBondContact OD1-N 3.35Å; D264-S267 PolarHBondContact O-N 3.07Å; D264-S267 PolarHBondContact O-OG 3.48Å; D264-S267 WeakPolarHBondContact OD2-CA 3.48Å; D264-S267 PolarHBondContact OD2-N 3.11Å | ||
| 265 | I | 98.3 | Very high | 96.5 | Very high | 31 Ų | 31 | 39.1 Ų | 39.1 | 16% | 0.159 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -18.5 | 178.5 | -162 | 169 | 0 | 0 | 0 | 113.1 | L259 A263 P275 L291 K294 A296 | L259-I265 HydrophobicContact CD1-CD1 4.21Å; L259-I265 HydrophobicContact CD2-CB 3.81Å; L259-I265 HydrophobicContact CD2-CD1 4.35Å; L259-I265 HydrophobicContact CD2-CG1 4.17Å; A263-I265 PolarHBondContact O-N 3.44Å; I265-P275 WeakPolarHBondContact O-CD 3.39Å; I265-P275 WeakPolarHBondContact O-CG 3.38Å; I265-L291 HydrophobicContact CD1-CD2 3.86Å; I265-L291 HydrophobicContact CG1-CD2 3.86Å; I265-K294 HydrophobicContact CD1-CB 3.77Å; I265-A296 HydrophobicContact CD1-CB 3.8Å; I265-A296 HydrophobicContact CG1-CB 4.04Å |
| 266 | E | 98.1 | Very high | 96.4 | Very high | 55 Ų | 55 | 39.1 Ų | 39.1 | 26% | 0.257 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 4.8 | -178.2 | -59.6 | -53.2 | 141.3 | 0 | 0 | 113.6 | D264 K268 A296 N297 | D264-E266 PolarHBondContact O-N 3.13Å; D264-E266 PolarHBondContact OD1-N 3.35Å; E266-K268 PolarHBondContact O-N 3.28Å; E266-A296 WeakPolarHBondContact OE1-CA 3.27Å; E266-N297 PolarHBondContact OE1-N 3.37Å; E266-N297 VanDerWaalsContact OE2-CB 3.27Å; E266-N297 WeakPolarHBondContact OE2-CB 3.44Å |
| 267 | S | 97.3 | Very high | 96.4 | Very high | 15 Ų | 15 | 37.8 Ų | 37.8 | 11% | 0.105 | 20% | 0.198 | C | C | . | . | trans | -55.2 | 132.5 | 178.1 | 53.8 | 0 | 0 | 0 | 0 | 111.2 | T241 H244 D264 T274 P275 | T241-S267 PolarHBondContact OG1-OG 3.03Å; H244-S267 PolarHBondContact CE1-O 2.86Å; H244-S267 VanDerWaalsContact CE1-O 3.22Å; H244-S267 PolarHBondContact CE1-OG 3.16Å; H244-S267 PolarHBondContact NE2-O 3Å; D264-S267 PolarHBondContact O-N 3.07Å; D264-S267 PolarHBondContact O-OG 3.48Å; D264-S267 WeakPolarHBondContact OD2-CA 3.48Å; D264-S267 PolarHBondContact OD2-N 3.11Å; S267-T274 WeakPolarHBondContact O-CA 3.38Å; S267-P275 WeakPolarHBondContact O-CD 3.38Å | ||
| 268 | K | 95.7 | Very high | 96.2 | Very high | 123 Ų | 123 | 37.7 Ų | 37.7 | 54% | 0.535 | 20% | 0.196 | S | C | . | . | trans | -104.2 | 130.8 | 179.7 | -69 | -170.4 | -179.2 | -164.6 | 0 | 111.6 | E266 L273 T274 L301 | E266-K268 PolarHBondContact O-N 3.28Å; K268-L273 WeakPolarHBondContact CA-O 3.3Å; K268-T274 HydrophobicContact CG-CG2 3.86Å; K268-L301 PolarHBondContact NZ-O 3.27Å | ||
| 269 | N | 94.5 | Very high | 96.1 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | trans | -77.3 | 177.9 | 168.9 | 74.8 | 10.6 | 0 | 0 | 0 | 112.4 | G239 N240 H271 G272 L273 | G239-N269 WeakPolarHBondContact O-CA 3.26Å; N240-N269 VanDerWaalsContact OD1-CB 3.3Å; N240-N269 WeakPolarHBondContact OD1-CB 3.48Å; N240-N269 PolarHBondContact OD1-ND2 3.21Å; N269-H271 PolarHBondContact O-N 3.23Å; N269-H271 VanDerWaalsContact O-N 3.11Å; N269-H271 WeakPolarHBondContact OD1-CA 3.46Å; N269-H271 WeakPolarHBondContact OD1-CB 3.22Å; N269-H271 PolarHBondContact OD1-N 2.92Å; N269-G272 WeakPolarHBondContact O-CA 3.19Å; N269-G272 PolarHBondContact O-N 3.35Å; N269-G272 PolarHBondContact OD1-N 3.08Å; N269-L273 PolarHBondContact N-O 3.09Å; N269-L273 WeakPolarHBondContact OD1-CB 3.43Å; N269-L273 PolarHBondContact OD1-N 3.15Å | ||
| 270 | K | 91.9 | Very high | 96 | Very high | 157 Ų | 157 | 36 Ų | 36 | 68% | 0.683 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.1 | -179.4 | -74.1 | -175.3 | 175.7 | -177.8 | 0 | 114.4 | E237 Y238 G272 | E237-K270 WeakPolarHBondContact O-CD 3.4Å; E237-K270 WeakPolarHBondContact O-CE 3.27Å; E237-K270 PolarHBondContact O-NZ 2.92Å; Y238-K270 VanDerWaalsContact O-CB 3.26Å; Y238-K270 WeakPolarHBondContact O-CB 3.25Å; Y238-K270 VanDerWaalsContact O-CG 3.3Å; Y238-K270 WeakPolarHBondContact O-CG 3.44Å; Y238-K270 PolarHBondContact O-N 2.86Å; K270-G272 VanDerWaalsContact C-N 3.27Å |
| 271 | H | 87.1 | Confident | 95.8 | Very high | 30 Ų | 30 | 32.5 Ų | 32.5 | 14% | 0.139 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 1.1 | 173.6 | -56.5 | -77.8 | 0 | 0 | 0 | 112.5 | Y123 N269 L273 R303 | Y123-H271 HydrophobicContact CD2-CB 4.5Å; N269-H271 PolarHBondContact O-N 3.23Å; N269-H271 VanDerWaalsContact O-N 3.11Å; N269-H271 WeakPolarHBondContact OD1-CA 3.46Å; N269-H271 WeakPolarHBondContact OD1-CB 3.22Å; N269-H271 PolarHBondContact OD1-N 2.92Å; H271-L273 VanDerWaalsContact C-N 3.26Å; H271-L273 HydrophobicContact CB-CD1 4.29Å; H271-L273 HydrophobicContact CB-CG 4.09Å; H271-R303 WeakPolarHBondContact O-CG 3.49Å |
| 272 | G | 90.8 | Very high | 95.5 | Very high | 16 Ų | 16 | 31 Ų | 31 | 17% | 0.165 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 75.4 | 13.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N269 K270 | N269-G272 WeakPolarHBondContact O-CA 3.19Å; N269-G272 PolarHBondContact O-N 3.35Å; N269-G272 PolarHBondContact OD1-N 3.08Å; K270-G272 VanDerWaalsContact C-N 3.27Å |
| 273 | L | 94.3 | Very high | 95.3 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | trans | -87 | 128.3 | 179.5 | -55.7 | 177.9 | 0 | 0 | 0 | 109.4 | Y123 H244 K268 N269 H271 L277 L278 D302 | Y123-L273 HydrophobicContact CD2-CD1 4.32Å; Y123-L273 HydrophobicContact CE2-CD1 3.67Å; H244-L273 PolarHBondContact NE2-O 2.9Å; K268-L273 WeakPolarHBondContact CA-O 3.3Å; N269-L273 PolarHBondContact N-O 3.09Å; N269-L273 WeakPolarHBondContact OD1-CB 3.43Å; N269-L273 PolarHBondContact OD1-N 3.15Å; H271-L273 VanDerWaalsContact C-N 3.26Å; H271-L273 HydrophobicContact CB-CD1 4.29Å; H271-L273 HydrophobicContact CB-CG 4.09Å; L273-L277 HydrophobicContact CB-CB 4.21Å; L273-L277 HydrophobicContact CD2-CB 3.96Å; L273-L278 HydrophobicContact CB-CB 4.46Å; L273-L278 HydrophobicContact CD1-CD1 4.25Å; L273-D302 HydrophobicContact CD2-CB 3.98Å | ||
| 274 | T | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -76.9 | 165.4 | 161.9 | 63.2 | 0 | 0 | 0 | 0 | 110 | S267 K268 L276 L277 L278 A300 | S267-T274 WeakPolarHBondContact O-CA 3.38Å; K268-T274 HydrophobicContact CG-CG2 3.86Å; T274-L276 PolarHBondContact O-N 2.89Å; T274-L276 VanDerWaalsContact O-N 3.16Å; T274-L277 HydrophobicContact CG2-CD1 4.43Å; T274-L277 PolarHBondContact O-N 3.18Å; T274-L277 WeakPolarHBondContact OG1-CG 3.17Å; T274-L277 PolarHBondContact OG1-N 2.99Å; T274-L278 WeakPolarHBondContact O-CB 3.23Å; T274-L278 PolarHBondContact O-N 3.32Å; T274-A300 HydrophobicContact CG2-CB 4.06Å | ||
| 275 | P | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -47.5 | -40.8 | 170 | -31.9 | 33.2 | 0 | 0 | 0 | 113.5 | L243 I247 I265 S267 G279 L291 | L243-P275 HydrophobicContact CD2-CB 4.06Å; L243-P275 HydrophobicContact CD2-CG 3.68Å; L243-P275 HydrophobicContact CG-CB 4.1Å; L243-P275 HydrophobicContact CG-CG 3.94Å; I247-P275 HydrophobicContact CG1-CB 4.09Å; I247-P275 WeakPolarHBondContact CG2-O 3.39Å; I265-P275 WeakPolarHBondContact O-CD 3.39Å; I265-P275 WeakPolarHBondContact O-CG 3.38Å; S267-P275 WeakPolarHBondContact O-CD 3.38Å; P275-G279 PolarHBondContact O-N 3.42Å; P275-L291 HydrophobicContact CB-CD1 4.14Å |
| 276 | L | 98 | Very high | 94.8 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.7 | -49.4 | 176.8 | 178.9 | 65.4 | 0 | 0 | 0 | 111.9 | T274 L278 G279 V280 V288 L291 I292 A296 L298 V308 | T274-L276 PolarHBondContact O-N 2.89Å; T274-L276 VanDerWaalsContact O-N 3.16Å; L276-L278 VanDerWaalsContact C-N 3.31Å; L276-L278 PolarHBondContact O-N 2.89Å; L276-G279 PolarHBondContact O-N 3.07Å; L276-V280 WeakPolarHBondContact O-CG2 3.47Å; L276-V280 PolarHBondContact O-N 3.08Å; L276-V288 HydrophobicContact CD1-CG1 4.12Å; L276-L291 HydrophobicContact CB-CD1 4.22Å; L276-L291 HydrophobicContact CD1-CB 4.05Å; L276-L291 HydrophobicContact CD1-CD1 4.42Å; L276-I292 HydrophobicContact CD1-CG1 4.17Å; L276-A296 HydrophobicContact CB-CB 4.15Å; L276-A296 HydrophobicContact CD2-CB 4.06Å; L276-L298 HydrophobicContact CD2-CD2 3.71Å; L276-V308 HydrophobicContact CD2-CG1 4.17Å; L276-V308 HydrophobicContact CD2-CG2 3.85Å; L276-V308 HydrophobicContact CG-CG1 4.24Å; L276-V308 HydrophobicContact CG-CG2 4.39Å |
| 277 | L | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62 | -39.5 | 179.3 | -69.3 | 171.7 | 0 | 0 | 0 | 111.6 | L273 T274 V280 H281 A300 D302 V308 L311 | L273-L277 HydrophobicContact CB-CB 4.21Å; L273-L277 HydrophobicContact CD2-CB 3.96Å; T274-L277 HydrophobicContact CG2-CD1 4.43Å; T274-L277 PolarHBondContact O-N 3.18Å; T274-L277 WeakPolarHBondContact OG1-CG 3.17Å; T274-L277 PolarHBondContact OG1-N 2.99Å; L277-V280 PolarHBondContact O-N 3.12Å; L277-H281 WeakPolarHBondContact O-CB 3.44Å; L277-H281 PolarHBondContact O-N 3.37Å; L277-A300 HydrophobicContact CD1-CB 4.06Å; L277-A300 HydrophobicContact CG-CB 4.4Å; L277-D302 HydrophobicContact CD1-CB 4.27Å; L277-V308 HydrophobicContact CD2-CB 4.23Å; L277-V308 HydrophobicContact CD2-CG2 3.6Å; L277-V308 HydrophobicContact CG-CG2 4.39Å; L277-L311 HydrophobicContact CB-CD2 4.08Å; L277-L311 HydrophobicContact CD2-CD2 3.77Å; L277-L311 WeakPolarHBondContact O-CD2 3.42Å |
| 278 | L | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.2 | -47.7 | 173.6 | 179.3 | 65.4 | 0 | 0 | 0 | 111.2 | Y123 F128 H244 L273 T274 L276 V280 H281 E282 | Y123-L278 WeakPolarHBondContact OH-CD1 3.48Å; F128-L278 HydrophobicContact CE1-CD2 4.34Å; F128-L278 HydrophobicContact CE2-CD1 4.43Å; F128-L278 HydrophobicContact CZ-CD1 4.22Å; F128-L278 HydrophobicContact CZ-CD2 3.98Å; H244-L278 HydrophobicContact CB-CD2 3.87Å; H244-L278 VanDerWaalsContact O-CD2 3.31Å; H244-L278 WeakPolarHBondContact O-CD2 3.5Å; L273-L278 HydrophobicContact CB-CB 4.46Å; L273-L278 HydrophobicContact CD1-CD1 4.25Å; T274-L278 WeakPolarHBondContact O-CB 3.23Å; T274-L278 PolarHBondContact O-N 3.32Å; L276-L278 VanDerWaalsContact C-N 3.31Å; L276-L278 PolarHBondContact O-N 2.89Å; L278-V280 VanDerWaalsContact C-N 3.26Å; L278-V280 PolarHBondContact O-N 3.04Å; L278-H281 WeakPolarHBondContact O-CB 3.1Å; L278-H281 PolarHBondContact O-N 3.3Å; L278-E282 HydrophobicContact CD1-CG 3.89Å; L278-E282 HydrophobicContact CG-CG 4.38Å; L278-E282 WeakPolarHBondContact O-CB 3.44Å; L278-E282 WeakPolarHBondContact O-CG 3.07Å; L278-E282 PolarHBondContact O-N 3.43Å |
| 279 | G | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.1 | -36.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I247 P275 L276 Q283 K284 V288 | I247-G279 VanDerWaalsContact CG2-CA 3.49Å; P275-G279 PolarHBondContact O-N 3.42Å; L276-G279 PolarHBondContact O-N 3.07Å; G279-Q283 PolarHBondContact O-N 2.99Å; G279-Q283 VanDerWaalsContact O-N 3.13Å; G279-K284 PolarHBondContact O-N 3.05Å; G279-V288 WeakPolarHBondContact O-CG2 3.22Å |
| 280 | V | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.1 | -45.6 | 174.4 | 172 | 0 | 0 | 0 | 0 | 111.5 | L276 L277 L278 E282 Q283 V288 V308 L311 A312 I320 | L276-V280 WeakPolarHBondContact O-CG2 3.47Å; L276-V280 PolarHBondContact O-N 3.08Å; L277-V280 PolarHBondContact O-N 3.12Å; L278-V280 VanDerWaalsContact C-N 3.26Å; L278-V280 PolarHBondContact O-N 3.04Å; V280-E282 VanDerWaalsContact C-N 3.35Å; V280-E282 PolarHBondContact O-N 3.33Å; V280-Q283 PolarHBondContact O-N 3.26Å; V280-V288 HydrophobicContact CG2-CG1 4.08Å; V280-V288 HydrophobicContact CG2-CG2 3.89Å; V280-V308 HydrophobicContact CG2-CG1 3.76Å; V280-L311 HydrophobicContact CB-CD2 4.39Å; V280-L311 HydrophobicContact CG1-CB 4.28Å; V280-L311 HydrophobicContact CG1-CD2 4.25Å; V280-L311 HydrophobicContact CG1-CG 4.09Å; V280-A312 VanDerWaalsContact CG1-CA 3.48Å; V280-A312 HydrophobicContact CG1-CB 3.61Å; V280-I320 HydrophobicContact CG1-CG2 4.24Å; V280-I320 HydrophobicContact CG2-CG2 3.92Å |
| 281 | H | 92.8 | Very high | 95.2 | Very high | 34 Ų | 34 | 26.7 Ų | 26.7 | 16% | 0.157 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.7 | -47.8 | 177.9 | -176.4 | -94.6 | 0 | 0 | 0 | 112 | Y123 L277 L278 Q283 L311 | Y123-H281 AromaticContact CD1-CE1 3.4Å; Y123-H281 VanDerWaalsContact CD1-CE1 3.4Å; Y123-H281 WeakPolarHBondContact CD1-CE1 3.47Å; Y123-H281 AromaticContact CE1-CE1 3.39Å; Y123-H281 WeakPolarHBondContact CE1-CE1 3.36Å; Y123-H281 AromaticContact CE1-ND1 3.68Å; Y123-H281 AromaticContact CG-CE1 3.85Å; Y123-H281 AromaticContact CZ-CE1 3.86Å; Y123-H281 AromaticContact CZ-ND1 3.8Å; L277-H281 WeakPolarHBondContact O-CB 3.44Å; L277-H281 PolarHBondContact O-N 3.37Å; L278-H281 WeakPolarHBondContact O-CB 3.1Å; L278-H281 PolarHBondContact O-N 3.3Å; H281-Q283 PolarHBondContact O-N 2.98Å; H281-L311 HydrophobicContact CB-CD2 4.38Å |
| 282 | E | 92.3 | Very high | 95.7 | Very high | 42 Ų | 42 | 26 Ų | 26 | 20% | 0.196 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 2.8 | 179.1 | -59.8 | -56.9 | 141.2 | 0 | 0 | 113.3 | Y123 Y248 L278 V280 K284 | Y123-E282 VanDerWaalsContact CE1-OE1 3.23Å; Y123-E282 WeakPolarHBondContact CE1-OE1 3.13Å; Y123-E282 PolarHBondContact OH-OE1 3.31Å; Y248-E282 HydrophobicContact CD2-CG 3.84Å; Y248-E282 HydrophobicContact CE2-CG 4.08Å; L278-E282 HydrophobicContact CD1-CG 3.89Å; L278-E282 HydrophobicContact CG-CG 4.38Å; L278-E282 WeakPolarHBondContact O-CB 3.44Å; L278-E282 WeakPolarHBondContact O-CG 3.07Å; L278-E282 PolarHBondContact O-N 3.43Å; V280-E282 VanDerWaalsContact C-N 3.35Å; V280-E282 PolarHBondContact O-N 3.33Å; E282-K284 VanDerWaalsContact C-N 3.29Å; E282-K284 HydrophobicContact CB-CD 4.27Å; E282-K284 HydrophobicContact CB-CG 3.72Å; E282-K284 WeakPolarHBondContact O-CD 3.43Å; E282-K284 WeakPolarHBondContact O-CE 3.28Å; E282-K284 PolarHBondContact O-N 2.82Å |
| 283 | Q | 93.8 | Very high | 96 | Very high | 102 Ų | 102 | 32.8 Ų | 32.8 | 48% | 0.477 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 34 | 177.8 | -55.2 | 178.1 | 54.1 | 0 | 0 | 114.7 | G279 V280 H281 Q285 C315 I320 | G279-Q283 PolarHBondContact O-N 2.99Å; G279-Q283 VanDerWaalsContact O-N 3.13Å; V280-Q283 PolarHBondContact O-N 3.26Å; H281-Q283 PolarHBondContact O-N 2.98Å; Q283-Q285 PolarHBondContact O-N 3.42Å; Q283-Q285 VanDerWaalsContact O-N 3.08Å; Q283-C315 HydrophobicContact CG-CB 4.19Å; Q283-C315 PolarHBondContact NE2-O 3.3Å; Q283-I320 HydrophobicContact CB-CD1 4.48Å |
| 284 | K | 93.9 | Very high | 96.1 | Very high | 47 Ų | 47 | 37.4 Ų | 37.4 | 20% | 0.204 | 17% | 0.169 | C | C | . | . | trans | -85.1 | 76.6 | -176.3 | -52.6 | -58.2 | -172.7 | 158.4 | 0 | 111.5 | Y248 E250 G279 E282 Q286 V287 V288 | Y248-K284 WeakPolarHBondContact O-CE 3.48Å; Y248-K284 PolarHBondContact O-NZ 3.28Å; E250-K284 HydrophobicContact CB-CD 4.13Å; E250-K284 HydrophobicContact CG-CB 4.16Å; E250-K284 HydrophobicContact CG-CD 4.39Å; G279-K284 PolarHBondContact O-N 3.05Å; E282-K284 VanDerWaalsContact C-N 3.29Å; E282-K284 HydrophobicContact CB-CD 4.27Å; E282-K284 HydrophobicContact CB-CG 3.72Å; E282-K284 WeakPolarHBondContact O-CD 3.43Å; E282-K284 WeakPolarHBondContact O-CE 3.28Å; E282-K284 PolarHBondContact O-N 2.82Å; K284-Q286 VanDerWaalsContact C-N 3.3Å; K284-Q286 PolarHBondContact O-N 2.9Å; K284-V287 HydrophobicContact CB-CG2 3.34Å; K284-V287 HydrophobicContact CG-CG2 4.41Å; K284-V287 VanDerWaalsContact O-CG2 3.22Å; K284-V287 WeakPolarHBondContact O-CG2 3.41Å; K284-V287 PolarHBondContact O-N 3.25Å; K284-V288 VanDerWaalsContact O-CG2 3.32Å; K284-V288 WeakPolarHBondContact O-CG2 3.33Å; K284-V288 PolarHBondContact O-N 2.95Å | ||
| 285 | Q | 94.3 | Very high | 96 | Very high | 71 Ų | 71 | 46.5 Ų | 46.5 | 33% | 0.332 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -54.4 | -40.4 | -169.8 | -171.4 | -175.9 | 0.1 | 0 | 0 | 113.9 | Q283 K289 I320 L323 | Q283-Q285 PolarHBondContact O-N 3.42Å; Q283-Q285 VanDerWaalsContact O-N 3.08Å; Q285-K289 WeakPolarHBondContact O-CB 3.01Å; Q285-K289 PolarHBondContact O-N 3.18Å; Q285-I320 HydrophobicContact CB-CG1 4.48Å; Q285-I320 HydrophobicContact CG-CG1 4.5Å; Q285-L323 HydrophobicContact CG-CD1 3.72Å |
| 286 | Q | 95.6 | Very high | 95.9 | Very high | 105 Ų | 105 | 46.8 Ų | 46.8 | 49% | 0.491 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.8 | -42.9 | -174.8 | -65.1 | -56.5 | -39.3 | 0 | 0 | 112.6 | E250 K284 F290 | E250-Q286 HydrophobicContact CG-CB 4.34Å; E250-Q286 PolarHBondContact OE1-N 2.97Å; K284-Q286 VanDerWaalsContact C-N 3.3Å; K284-Q286 PolarHBondContact O-N 2.9Å; Q286-F290 PolarHBondContact O-N 2.92Å; Q286-F290 VanDerWaalsContact O-N 3.11Å |
| 287 | V | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -76.8 | -33 | 178.5 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | I247 E250 K252 K284 F290 L291 | I247-V287 HydrophobicContact CD1-CB 3.78Å; I247-V287 HydrophobicContact CD1-CG1 4.31Å; I247-V287 HydrophobicContact CD1-CG2 4.23Å; I247-V287 HydrophobicContact CG2-CG2 3.86Å; E250-V287 HydrophobicContact CG-CG1 4.26Å; E250-V287 HydrophobicContact CG-CG2 4.43Å; K252-V287 HydrophobicContact CB-CG1 4.11Å; K284-V287 HydrophobicContact CB-CG2 3.34Å; K284-V287 HydrophobicContact CG-CG2 4.41Å; K284-V287 VanDerWaalsContact O-CG2 3.22Å; K284-V287 WeakPolarHBondContact O-CG2 3.41Å; K284-V287 PolarHBondContact O-N 3.25Å; V287-F290 WeakPolarHBondContact O-CB 3.44Å; V287-F290 PolarHBondContact O-N 3.24Å; V287-F290 VanDerWaalsContact O-N 3.17Å; V287-L291 WeakPolarHBondContact O-CG 3.29Å; V287-L291 PolarHBondContact O-N 3.15Å |
| 288 | V | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.1 | -50.5 | 170.4 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | L276 G279 V280 K284 F290 L291 I292 I320 | L276-V288 HydrophobicContact CD1-CG1 4.12Å; G279-V288 WeakPolarHBondContact O-CG2 3.22Å; V280-V288 HydrophobicContact CG2-CG1 4.08Å; V280-V288 HydrophobicContact CG2-CG2 3.89Å; K284-V288 VanDerWaalsContact O-CG2 3.32Å; K284-V288 WeakPolarHBondContact O-CG2 3.33Å; K284-V288 PolarHBondContact O-N 2.95Å; V288-F290 PolarHBondContact O-N 2.84Å; V288-L291 PolarHBondContact O-N 2.71Å; V288-I292 HydrophobicContact CG1-CD1 3.87Å; V288-I292 HydrophobicContact CG1-CG1 4.44Å; V288-I292 VanDerWaalsContact O-CG1 3.3Å; V288-I292 WeakPolarHBondContact O-CG1 3.25Å; V288-I292 PolarHBondContact O-N 3.41Å; V288-I320 HydrophobicContact CG1-CG2 4.22Å; V288-I320 HydrophobicContact CG2-CD1 4.34Å |
| 289 | K | 97.3 | Very high | 95.5 | Very high | 93 Ų | 93 | 56.9 Ų | 56.9 | 40% | 0.404 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.6 | -35.9 | 176.1 | -174.9 | 170.6 | -176.2 | 165.8 | 0 | 112.2 | Q285 K293 L323 | Q285-K289 WeakPolarHBondContact O-CB 3.01Å; Q285-K289 PolarHBondContact O-N 3.18Å; K289-K293 WeakPolarHBondContact O-CG 3.22Å; K289-K293 PolarHBondContact O-N 3.44Å; K289-L323 HydrophobicContact CB-CD1 4.26Å; K289-L323 HydrophobicContact CD-CD2 4.15Å; K289-L323 HydrophobicContact CG-CD2 4.47Å |
| 290 | F | 97.9 | Very high | 95.2 | Very high | 13 Ų | 13 | 57.1 Ų | 57.1 | 6% | 0.057 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.9 | -45.9 | 175.7 | 168.6 | -106.5 | 0 | 0 | 0 | 112.5 | K252 A255 K256 L259 Q286 V287 V288 K293 K294 | K252-F290 HydrophobicContact CD-CB 4.16Å; K252-F290 HydrophobicContact CD-CD2 4.46Å; K252-F290 HydrophobicContact CD-CG 4.4Å; K252-F290 HydrophobicContact CG-CB 4Å; K252-F290 HydrophobicContact CG-CD1 4.32Å; K252-F290 HydrophobicContact CG-CD2 4.11Å; K252-F290 HydrophobicContact CG-CG 3.87Å; A255-F290 HydrophobicContact CB-CD1 4.37Å; A255-F290 HydrophobicContact CB-CE1 3.99Å; K256-F290 HydrophobicContact CB-CE1 4.5Å; K256-F290 HydrophobicContact CB-CE2 4.13Å; K256-F290 HydrophobicContact CB-CZ 3.71Å; K256-F290 HydrophobicContact CG-CE2 4.45Å; K256-F290 HydrophobicContact CG-CZ 4.27Å; L259-F290 HydrophobicContact CD1-CE1 3.77Å; L259-F290 HydrophobicContact CD1-CZ 3.92Å; Q286-F290 PolarHBondContact O-N 2.92Å; Q286-F290 VanDerWaalsContact O-N 3.11Å; V287-F290 WeakPolarHBondContact O-CB 3.44Å; V287-F290 PolarHBondContact O-N 3.24Å; V287-F290 VanDerWaalsContact O-N 3.17Å; V288-F290 PolarHBondContact O-N 2.84Å; F290-K293 WeakPolarHBondContact O-CB 3.44Å; F290-K293 PolarHBondContact O-N 2.83Å; F290-K294 HydrophobicContact CD2-CG 4.37Å; F290-K294 HydrophobicContact CE1-CG 4.29Å; F290-K294 HydrophobicContact CE2-CD 4.42Å; F290-K294 HydrophobicContact CE2-CG 3.84Å; F290-K294 HydrophobicContact CZ-CD 4.46Å; F290-K294 HydrophobicContact CZ-CG 3.79Å; F290-K294 PolarHBondContact O-N 3.26Å |
| 291 | L | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64 | -40.8 | 178.8 | -71.2 | 174.8 | 0 | 0 | 0 | 112.1 | I247 I265 P275 L276 V287 V288 K293 K294 K295 A296 | I247-L291 HydrophobicContact CD1-CD1 3.65Å; I247-L291 HydrophobicContact CD1-CD2 4.13Å; I247-L291 HydrophobicContact CD1-CG 3.98Å; I247-L291 HydrophobicContact CG1-CD1 4.1Å; I265-L291 HydrophobicContact CD1-CD2 3.86Å; I265-L291 HydrophobicContact CG1-CD2 3.86Å; P275-L291 HydrophobicContact CB-CD1 4.14Å; L276-L291 HydrophobicContact CB-CD1 4.22Å; L276-L291 HydrophobicContact CD1-CB 4.05Å; L276-L291 HydrophobicContact CD1-CD1 4.42Å; V287-L291 WeakPolarHBondContact O-CG 3.29Å; V287-L291 PolarHBondContact O-N 3.15Å; V288-L291 PolarHBondContact O-N 2.71Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 3.06Å; L291-K294 CarbonylContact O-C 3.44Å; L291-K294 WeakPolarHBondContact O-CA 3.37Å; L291-K294 PolarHBondContact O-N 3.42Å; L291-K295 PolarHBondContact O-N 3.16Å; L291-A296 HydrophobicContact CB-CB 4.09Å; L291-A296 WeakPolarHBondContact O-CB 3.04Å; L291-A296 PolarHBondContact O-N 2.96Å; L291-A296 VanDerWaalsContact O-N 3.09Å |
| 292 | I | 96.6 | Very high | 94.8 | Very high | 16 Ų | 16 | 59.8 Ų | 59.8 | 8% | 0.082 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.5 | -46.4 | 172.9 | -66.6 | 171.6 | 0 | 0 | 0 | 110.4 | L276 V288 K294 K295 L298 L324 Q327 | L276-I292 HydrophobicContact CD1-CG1 4.17Å; V288-I292 HydrophobicContact CG1-CD1 3.87Å; V288-I292 HydrophobicContact CG1-CG1 4.44Å; V288-I292 VanDerWaalsContact O-CG1 3.3Å; V288-I292 WeakPolarHBondContact O-CG1 3.25Å; V288-I292 PolarHBondContact O-N 3.41Å; I292-K294 PolarHBondContact O-N 2.72Å; I292-K295 WeakPolarHBondContact O-CA 3.02Å; I292-K295 PolarHBondContact O-N 3.05Å; I292-L298 HydrophobicContact CG1-CD2 4.07Å; I292-L324 HydrophobicContact CD1-CD2 3.81Å; I292-Q327 HydrophobicContact CG2-CG 3.66Å |
| 293 | K | 96.9 | Very high | 94.6 | Very high | 157 Ų | 157 | 63.9 Ų | 63.9 | 68% | 0.683 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.4 | -28.1 | 175.5 | -74.9 | -180 | 174.6 | -161.4 | 0 | 113.3 | K289 F290 L291 K295 | K289-K293 WeakPolarHBondContact O-CG 3.22Å; K289-K293 PolarHBondContact O-N 3.44Å; F290-K293 WeakPolarHBondContact O-CB 3.44Å; F290-K293 PolarHBondContact O-N 2.83Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 3.06Å; K293-K295 PolarHBondContact O-N 3.21Å |
| 294 | K | 96.7 | Very high | 94.3 | Very high | 105 Ų | 105 | 62.4 Ų | 62.4 | 46% | 0.457 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 12.8 | 173.8 | -69.6 | -65.8 | -177.2 | -179.4 | 0 | 113.2 | L259 I265 F290 L291 I292 A296 | L259-K294 HydrophobicContact CD1-CB 4.37Å; L259-K294 HydrophobicContact CD1-CG 4.07Å; I265-K294 HydrophobicContact CD1-CB 3.77Å; F290-K294 HydrophobicContact CD2-CG 4.37Å; F290-K294 HydrophobicContact CE1-CG 4.29Å; F290-K294 HydrophobicContact CE2-CD 4.42Å; F290-K294 HydrophobicContact CE2-CG 3.84Å; F290-K294 HydrophobicContact CZ-CD 4.46Å; F290-K294 HydrophobicContact CZ-CG 3.79Å; F290-K294 PolarHBondContact O-N 3.26Å; L291-K294 CarbonylContact O-C 3.44Å; L291-K294 WeakPolarHBondContact O-CA 3.37Å; L291-K294 PolarHBondContact O-N 3.42Å; I292-K294 PolarHBondContact O-N 2.72Å; K294-A296 VanDerWaalsContact C-N 3.29Å; K294-A296 PolarHBondContact O-N 2.88Å |
| 295 | K | 95.1 | Very high | 94 | Very high | 191 Ų | 191 | 60.7 Ų | 60.7 | 83% | 0.83 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 34.1 | 177.4 | -56.3 | -176.2 | 177.4 | -178.8 | 0 | 113.4 | L291 I292 K293 | L291-K295 PolarHBondContact O-N 3.16Å; I292-K295 WeakPolarHBondContact O-CA 3.02Å; I292-K295 PolarHBondContact O-N 3.05Å; K293-K295 PolarHBondContact O-N 3.21Å |
| 296 | A | 96.3 | Very high | 93.8 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | trans | -56 | 143.7 | 169 | 0 | 0 | 0 | 0 | 0 | 110.7 | I265 E266 L276 L291 K294 L298 | I265-A296 HydrophobicContact CD1-CB 3.8Å; I265-A296 HydrophobicContact CG1-CB 4.04Å; E266-A296 WeakPolarHBondContact OE1-CA 3.27Å; L276-A296 HydrophobicContact CB-CB 4.15Å; L276-A296 HydrophobicContact CD2-CB 4.06Å; L291-A296 HydrophobicContact CB-CB 4.09Å; L291-A296 WeakPolarHBondContact O-CB 3.04Å; L291-A296 PolarHBondContact O-N 2.96Å; L291-A296 VanDerWaalsContact O-N 3.09Å; K294-A296 VanDerWaalsContact C-N 3.29Å; K294-A296 PolarHBondContact O-N 2.88Å; A296-L298 PolarHBondContact O-N 2.99Å; A296-L298 VanDerWaalsContact O-N 3.09Å | ||
| 297 | N | 95.3 | Very high | 93.7 | Very high | 75 Ų | 75 | 53.7 Ų | 53.7 | 40% | 0.401 | 25% | 0.249 | S | C | . | . | trans | -67.3 | 108.9 | -173.7 | -176.1 | 5.1 | 0 | 0 | 0 | 111.9 | E266 N299 A300 | E266-N297 PolarHBondContact OE1-N 3.37Å; E266-N297 VanDerWaalsContact OE2-CB 3.27Å; E266-N297 WeakPolarHBondContact OE2-CB 3.44Å; N297-N299 PolarHBondContact O-N 3.4Å; N297-N299 WeakPolarHBondContact OD1-CA 3.47Å; N297-N299 WeakPolarHBondContact OD1-CB 3.46Å; N297-N299 PolarHBondContact OD1-N 3.07Å; N297-A300 WeakPolarHBondContact O-CB 3.43Å; N297-A300 PolarHBondContact O-N 3.47Å | ||
| 298 | L | 94.5 | Very high | 93.7 | Very high | 31 Ų | 31 | 53.7 Ų | 53.7 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -18.2 | 177.8 | -58.2 | -174.8 | 0 | 0 | 0 | 113.5 | L276 I292 A296 A300 V308 L324 Q327 I329 | L276-L298 HydrophobicContact CD2-CD2 3.71Å; I292-L298 HydrophobicContact CG1-CD2 4.07Å; A296-L298 PolarHBondContact O-N 2.99Å; A296-L298 VanDerWaalsContact O-N 3.09Å; L298-A300 VanDerWaalsContact C-N 3.3Å; L298-V308 VanDerWaalsContact O-CG2 3.24Å; L298-V308 WeakPolarHBondContact O-CG2 3.49Å; L298-L324 HydrophobicContact CD2-CD2 4.14Å; L298-Q327 HydrophobicContact CD1-CB 3.61Å; L298-Q327 HydrophobicContact CD1-CG 4.11Å; L298-I329 HydrophobicContact CB-CD1 3.9Å; L298-I329 HydrophobicContact CB-CG1 4.47Å |
| 299 | N | 91.6 | Very high | 93.6 | Very high | 107 Ų | 107 | 53.8 Ų | 53.8 | 57% | 0.572 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 4.6 | 177.8 | -60.7 | -34.1 | 0 | 0 | 0 | 112.3 | N297 L301 | N297-N299 PolarHBondContact O-N 3.4Å; N297-N299 WeakPolarHBondContact OD1-CA 3.47Å; N297-N299 WeakPolarHBondContact OD1-CB 3.46Å; N297-N299 PolarHBondContact OD1-N 3.07Å; N299-L301 PolarHBondContact O-N 2.99Å |
| 300 | A | 91.5 | Very high | 93.3 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 5% | 0.05 | 23% | 0.23 | C | C | . | . | trans | -58.3 | 133.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | T274 L277 N297 L298 | T274-A300 HydrophobicContact CG2-CB 4.06Å; L277-A300 HydrophobicContact CD1-CB 4.06Å; L277-A300 HydrophobicContact CG-CB 4.4Å; N297-A300 WeakPolarHBondContact O-CB 3.43Å; N297-A300 PolarHBondContact O-N 3.47Å; L298-A300 VanDerWaalsContact C-N 3.3Å | ||
| 301 | L | 92.1 | Very high | 93.1 | Very high | 79 Ų | 79 | 48.8 Ų | 48.8 | 41% | 0.414 | 23% | 0.227 | S | C | . | . | trans | -107.6 | 137.8 | 178.4 | -54.4 | -178.7 | 0 | 0 | 0 | 110.4 | K268 N299 R306 T307 | K268-L301 PolarHBondContact NZ-O 3.27Å; N299-L301 PolarHBondContact O-N 2.99Å; L301-R306 WeakPolarHBondContact CA-O 3.33Å; L301-T307 HydrophobicContact CD2-CG2 3.76Å | ||
| 302 | D | 87.9 | Confident | 92.9 | Very high | 11 Ų | 11 | 48.8 Ų | 48.8 | 6% | 0.059 | 23% | 0.227 | C | C | . | . | trans | -78 | -178.9 | 169.1 | 80.8 | -6.2 | 0 | 0 | 0 | 112.1 | L273 L277 Y304 G305 R306 | L273-D302 HydrophobicContact CD2-CB 3.98Å; L277-D302 HydrophobicContact CD1-CB 4.27Å; D302-Y304 PolarHBondContact O-N 3.32Å; D302-Y304 VanDerWaalsContact O-N 3.07Å; D302-Y304 WeakPolarHBondContact OD1-CA 3.07Å; D302-Y304 WeakPolarHBondContact OD1-CB 3.12Å; D302-Y304 PolarHBondContact OD1-N 3.31Å; D302-G305 PolarHBondContact O-N 3.5Å; D302-G305 PolarHBondContact OD1-N 2.95Å; D302-R306 PolarHBondContact N-O 2.99Å; D302-R306 WeakPolarHBondContact OD1-CB 3.12Å; D302-R306 PolarHBondContact OD1-N 2.61Å; D302-R306 IonicContact OD1-NE 2.82Å; D302-R306 IonicContact OD2-CZ 3.62Å; D302-R306 IonicContact OD2-NE 2.88Å; D302-R306 PolarHBondContact OD2-NE 2.89Å; D302-R306 IonicContact OD2-NH2 3.76Å; D302-R306 PolarHBondContact OD2-NH2 3.47Å | ||
| 303 | R | 88.2 | Confident | 92.7 | Very high | 128 Ų | 128 | 48 Ų | 48 | 48% | 0.483 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -14.8 | 178.8 | 64.6 | 177.9 | -98.5 | -168.4 | -7.4 | 115.2 | H271 | H271-R303 WeakPolarHBondContact O-CG 3.49Š|
| 304 | Y | 86.6 | Confident | 92.4 | Very high | 70 Ų | 70 | 41.3 Ų | 41.3 | 28% | 0.275 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 7.8 | 177.7 | -55.5 | -73.5 | 0 | 0 | 0 | 111.7 | G121 D302 R306 L336 | G121-Y304 WeakPolarHBondContact CA-OH 3.34Å; G121-Y304 PolarHBondContact N-OH 2.95Å; G121-Y304 PolarHBondContact O-OH 2.82Å; D302-Y304 PolarHBondContact O-N 3.32Å; D302-Y304 VanDerWaalsContact O-N 3.07Å; D302-Y304 WeakPolarHBondContact OD1-CA 3.07Å; D302-Y304 WeakPolarHBondContact OD1-CB 3.12Å; D302-Y304 PolarHBondContact OD1-N 3.31Å; Y304-R306 PolarHBondContact O-N 3.32Å; Y304-L336 WeakPolarHBondContact O-CB 3.31Å; Y304-L336 VanDerWaalsContact O-CG 3.27Å; Y304-L336 WeakPolarHBondContact O-CG 3.2Å; Y304-L336 PolarHBondContact O-N 3.42Å |
| 305 | G | 88.6 | Confident | 91.9 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 11% | 0.113 | 18% | 0.182 | C | C | . | . | trans | 68.8 | 17.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D302 D335 | D302-G305 PolarHBondContact O-N 3.5Å; D302-G305 PolarHBondContact OD1-N 2.95Å; G305-D335 WeakPolarHBondContact O-CA 3.47Å | ||
| 306 | R | 90 | Very high | 91.6 | Very high | 18 Ų | 18 | 29.5 Ų | 29.5 | 7% | 0.068 | 15% | 0.154 | C | C | . | . | trans | -79.7 | 132.7 | 179.5 | -61.5 | 179 | -61.5 | 179.9 | 1.8 | 109.5 | W120 L301 D302 Y304 I310 D335 | W120-R306 VanDerWaalsContact CH2-NH1 3.28Å; W120-R306 VanDerWaalsContact CZ3-NH2 3.32Å; L301-R306 WeakPolarHBondContact CA-O 3.33Å; D302-R306 PolarHBondContact N-O 2.99Å; D302-R306 WeakPolarHBondContact OD1-CB 3.12Å; D302-R306 PolarHBondContact OD1-N 2.61Å; D302-R306 IonicContact OD1-NE 2.82Å; D302-R306 IonicContact OD2-CZ 3.62Å; D302-R306 IonicContact OD2-NE 2.88Å; D302-R306 PolarHBondContact OD2-NE 2.89Å; D302-R306 IonicContact OD2-NH2 3.76Å; D302-R306 PolarHBondContact OD2-NH2 3.47Å; Y304-R306 PolarHBondContact O-N 3.32Å; R306-I310 HydrophobicContact CB-CB 4.1Å; R306-I310 HydrophobicContact CB-CG2 3.88Å; R306-I310 HydrophobicContact CG-CG2 3.82Å; R306-D335 HydrophobicContact CG-CB 3.75Å | ||
| 307 | T | 93.3 | Very high | 91.3 | Very high | 12 Ų | 12 | 29.9 Ų | 29.9 | 7% | 0.074 | 16% | 0.157 | C | C | . | . | trans | -69 | 165.7 | 169.1 | 66.6 | 0 | 0 | 0 | 0 | 110.8 | L301 L309 I310 L311 | L301-T307 HydrophobicContact CD2-CG2 3.76Å; T307-L309 PolarHBondContact O-N 3.41Å; T307-I310 HydrophobicContact CG2-CD1 4.44Å; T307-I310 PolarHBondContact O-N 2.87Å; T307-I310 WeakPolarHBondContact OG1-CG1 3.36Å; T307-I310 PolarHBondContact OG1-N 3.2Å; T307-L311 WeakPolarHBondContact O-CB 3.38Å; T307-L311 PolarHBondContact O-N 3.35Å | ||
| 308 | V | 95.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.3 | -38.5 | 174.5 | -176 | 0 | 0 | 0 | 0 | 111.6 | L276 L277 V280 L298 A312 L324 | L276-V308 HydrophobicContact CD2-CG1 4.17Å; L276-V308 HydrophobicContact CD2-CG2 3.85Å; L276-V308 HydrophobicContact CG-CG1 4.24Å; L276-V308 HydrophobicContact CG-CG2 4.39Å; L277-V308 HydrophobicContact CD2-CB 4.23Å; L277-V308 HydrophobicContact CD2-CG2 3.6Å; L277-V308 HydrophobicContact CG-CG2 4.39Å; V280-V308 HydrophobicContact CG2-CG1 3.76Å; L298-V308 VanDerWaalsContact O-CG2 3.24Å; L298-V308 WeakPolarHBondContact O-CG2 3.49Å; V308-A312 WeakPolarHBondContact O-CB 3.5Å; V308-A312 PolarHBondContact O-N 2.79Å; V308-L324 HydrophobicContact CG1-CD1 3.81Å; V308-L324 HydrophobicContact CG1-CD2 3.75Å; V308-L324 HydrophobicContact CG1-CG 4.46Å |
| 309 | L | 95.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.6 | -48.9 | 177.4 | -179.6 | 66.5 | 0 | 0 | 0 | 112 | T307 L311 A312 V313 V321 L324 L325 I329 V331 A341 L357 | T307-L309 PolarHBondContact O-N 3.41Å; L309-L311 VanDerWaalsContact C-N 3.26Å; L309-L311 PolarHBondContact O-N 3.15Å; L309-A312 PolarHBondContact O-N 3.06Å; L309-V313 WeakPolarHBondContact O-CG2 3.39Å; L309-V313 PolarHBondContact O-N 3.31Å; L309-V321 HydrophobicContact CD1-CG1 4.12Å; L309-L324 HydrophobicContact CD1-CB 4.46Å; L309-L324 HydrophobicContact CD1-CD1 4.49Å; L309-L325 HydrophobicContact CD1-CD2 4.38Å; L309-I329 HydrophobicContact CB-CD1 4.33Å; L309-I329 HydrophobicContact CD2-CG2 4.13Å; L309-V331 HydrophobicContact CD2-CB 4.13Å; L309-V331 HydrophobicContact CD2-CG1 3.76Å; L309-A341 HydrophobicContact CD2-CB 3.88Å; L309-A341 HydrophobicContact CG-CB 3.88Å; L309-L357 HydrophobicContact CD2-CD2 4.35Å |
| 310 | I | 92.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.6 | -45.7 | 178.1 | -65.9 | 170.9 | 0 | 0 | 0 | 109.4 | R306 T307 A312 V313 C314 D335 A341 Y344 | R306-I310 HydrophobicContact CB-CB 4.1Å; R306-I310 HydrophobicContact CB-CG2 3.88Å; R306-I310 HydrophobicContact CG-CG2 3.82Å; T307-I310 HydrophobicContact CG2-CD1 4.44Å; T307-I310 PolarHBondContact O-N 2.87Å; T307-I310 WeakPolarHBondContact OG1-CG1 3.36Å; T307-I310 PolarHBondContact OG1-N 3.2Å; I310-A312 PolarHBondContact O-N 3.37Å; I310-V313 PolarHBondContact O-N 3.01Å; I310-C314 PolarHBondContact O-N 3.32Å; I310-C314 PolarHBondContact O-SG 3.28Å; I310-D335 HydrophobicContact CD1-CB 4.18Å; I310-A341 HydrophobicContact CG1-CB 4.02Å; I310-Y344 HydrophobicContact CG2-CD2 3.65Å; I310-Y344 HydrophobicContact CG2-CE2 3.66Å |
| 311 | L | 92.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 177.5 | -172.6 | 63.5 | 0 | 0 | 0 | 112.2 | W120 L277 V280 H281 T307 L309 V313 C314 C315 | W120-L311 HydrophobicContact CH2-CD1 4.18Å; W120-L311 HydrophobicContact CZ3-CD1 3.95Å; L277-L311 HydrophobicContact CB-CD2 4.08Å; L277-L311 HydrophobicContact CD2-CD2 3.77Å; L277-L311 WeakPolarHBondContact O-CD2 3.42Å; V280-L311 HydrophobicContact CB-CD2 4.39Å; V280-L311 HydrophobicContact CG1-CB 4.28Å; V280-L311 HydrophobicContact CG1-CD2 4.25Å; V280-L311 HydrophobicContact CG1-CG 4.09Å; H281-L311 HydrophobicContact CB-CD2 4.38Å; T307-L311 WeakPolarHBondContact O-CB 3.38Å; T307-L311 PolarHBondContact O-N 3.35Å; L309-L311 VanDerWaalsContact C-N 3.26Å; L309-L311 PolarHBondContact O-N 3.15Å; L311-V313 VanDerWaalsContact C-N 3.3Å; L311-V313 PolarHBondContact O-N 2.97Å; L311-C314 PolarHBondContact O-N 2.93Å; L311-C315 PolarHBondContact O-N 3.43Å; L311-C315 PolarHBondContact O-SG 3.15Å |
| 312 | A | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.5 | -39 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | V280 V308 L309 I310 C315 G316 S317 I320 V321 L324 | V280-A312 VanDerWaalsContact CG1-CA 3.48Å; V280-A312 HydrophobicContact CG1-CB 3.61Å; V308-A312 WeakPolarHBondContact O-CB 3.5Å; V308-A312 PolarHBondContact O-N 2.79Å; L309-A312 PolarHBondContact O-N 3.06Å; I310-A312 PolarHBondContact O-N 3.37Å; A312-C315 PolarHBondContact O-N 3.31Å; A312-G316 PolarHBondContact O-N 3.26Å; A312-S317 PolarHBondContact O-N 3.28Å; A312-I320 HydrophobicContact CB-CB 4.5Å; A312-I320 HydrophobicContact CB-CG2 3.82Å; A312-V321 HydrophobicContact CB-CG2 3.89Å; A312-L324 HydrophobicContact CB-CD1 3.83Å |
| 313 | V | 93 | Very high | 92.1 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.3 | -45.5 | 175.1 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | L309 I310 L311 C315 G316 V321 A341 A345 H350 I353 L357 | L309-V313 WeakPolarHBondContact O-CG2 3.39Å; L309-V313 PolarHBondContact O-N 3.31Å; I310-V313 PolarHBondContact O-N 3.01Å; L311-V313 VanDerWaalsContact C-N 3.3Å; L311-V313 PolarHBondContact O-N 2.97Å; V313-C315 PolarHBondContact O-N 3.11Å; V313-G316 WeakPolarHBondContact O-CA 3.49Å; V313-G316 PolarHBondContact O-N 3.18Å; V313-V321 HydrophobicContact CG2-CG2 3.89Å; V313-A341 WeakPolarHBondContact CG1-O 3.41Å; V313-A341 HydrophobicContact CG2-CB 4.05Å; V313-A345 HydrophobicContact CG1-CB 3.67Å; V313-H350 PolarHBondContact O-CD2 3.03Å; V313-I353 HydrophobicContact CB-CG2 4.39Å; V313-I353 HydrophobicContact CG1-CG2 4.07Å; V313-I353 HydrophobicContact CG2-CG2 3.7Å; V313-L357 HydrophobicContact CG2-CD1 4.45Å |
| 314 | C | 89.5 | Confident | 92.4 | Very high | 16 Ų | 16 | 16.1 Ų | 16.1 | 11% | 0.108 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.5 | -35.1 | 178.2 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | W120 I310 L311 G316 Y344 | W120-C314 HydrophobicContact CH2-CB 3.33Å; W120-C314 HydrophobicContact CZ2-CB 3.42Å; W120-C314 VanDerWaalsContact CZ2-CB 3.42Å; I310-C314 PolarHBondContact O-N 3.32Å; I310-C314 PolarHBondContact O-SG 3.28Å; L311-C314 PolarHBondContact O-N 2.93Å; C314-G316 VanDerWaalsContact C-N 3.27Å; C314-G316 PolarHBondContact O-N 2.91Å; C314-Y344 VanDerWaalsContact SG-CD1 3.6Å |
| 315 | C | 87.4 | Confident | 92.7 | Very high | 23 Ų | 23 | 13.4 Ų | 13.4 | 16% | 0.155 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -10.2 | 174 | -64.8 | 0 | 0 | 0 | 0 | 113.7 | Q283 L311 A312 V313 S317 | Q283-C315 HydrophobicContact CG-CB 4.19Å; Q283-C315 PolarHBondContact NE2-O 3.3Å; L311-C315 PolarHBondContact O-N 3.43Å; L311-C315 PolarHBondContact O-SG 3.15Å; A312-C315 PolarHBondContact O-N 3.31Å; V313-C315 PolarHBondContact O-N 3.11Å; C315-S317 PolarHBondContact O-N 2.92Å |
| 316 | G | 88.2 | Confident | 92.9 | Very high | 25 Ų | 25 | 18.7 Ų | 18.7 | 26% | 0.258 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 17.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A312 V313 C314 A318 | A312-G316 PolarHBondContact O-N 3.26Å; V313-G316 WeakPolarHBondContact O-CA 3.49Å; V313-G316 PolarHBondContact O-N 3.18Å; C314-G316 VanDerWaalsContact C-N 3.27Å; C314-G316 PolarHBondContact O-N 2.91Å; G316-A318 PolarHBondContact O-N 2.83Å |
| 317 | S | 90.2 | Very high | 92.9 | Very high | 14 Ų | 14 | 22.2 Ų | 22.2 | 10% | 0.098 | 13% | 0.134 | C | C | . | . | trans | -89.2 | 88.7 | -175.2 | -171.7 | 0 | 0 | 0 | 0 | 112.2 | A312 C315 S319 I320 V321 | A312-S317 PolarHBondContact O-N 3.28Å; C315-S317 PolarHBondContact O-N 2.92Å; S317-S319 PolarHBondContact O-N 3.2Å; S317-I320 PolarHBondContact O-N 3.18Å; S317-I320 VanDerWaalsContact O-N 3.16Å; S317-I320 WeakPolarHBondContact OG-CG1 3.31Å; S317-V321 WeakPolarHBondContact O-CG2 3.49Å; S317-V321 PolarHBondContact O-N 3Å | ||
| 318 | A | 93.8 | Very high | 92.5 | Very high | 28 Ų | 28 | 27 Ų | 27 | 23% | 0.231 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.3 | -36 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G316 V321 S322 V352 I353 L356 | G316-A318 PolarHBondContact O-N 2.83Å; A318-V321 PolarHBondContact O-N 3.14Å; A318-S322 PolarHBondContact O-N 3.09Å; A318-V352 HydrophobicContact CB-CG1 3.96Å; A318-I353 HydrophobicContact CB-CG1 4Å; A318-L356 HydrophobicContact CB-CD1 4.09Å |
| 319 | S | 94.7 | Very high | 92.2 | Very high | 61 Ų | 61 | 27.6 Ų | 27.6 | 43% | 0.427 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 177.9 | -55.7 | 0 | 0 | 0 | 0 | 112.6 | S317 L323 | S317-S319 PolarHBondContact O-N 3.2Å; S319-L323 WeakPolarHBondContact O-CG 3.26Å; S319-L323 PolarHBondContact O-N 3.28Å; S319-L323 VanDerWaalsContact O-N 3.16Å |
| 320 | I | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.5 | -40.1 | 177.4 | -68.4 | 175.4 | 0 | 0 | 0 | 110.1 | V280 Q283 Q285 V288 A312 S317 S322 L323 L324 | V280-I320 HydrophobicContact CG1-CG2 4.24Å; V280-I320 HydrophobicContact CG2-CG2 3.92Å; Q283-I320 HydrophobicContact CB-CD1 4.48Å; Q285-I320 HydrophobicContact CB-CG1 4.48Å; Q285-I320 HydrophobicContact CG-CG1 4.5Å; V288-I320 HydrophobicContact CG1-CG2 4.22Å; V288-I320 HydrophobicContact CG2-CD1 4.34Å; A312-I320 HydrophobicContact CB-CB 4.5Å; A312-I320 HydrophobicContact CB-CG2 3.82Å; S317-I320 PolarHBondContact O-N 3.18Å; S317-I320 VanDerWaalsContact O-N 3.16Å; S317-I320 WeakPolarHBondContact OG-CG1 3.31Å; I320-S322 VanDerWaalsContact C-N 3.33Å; I320-S322 PolarHBondContact O-N 2.95Å; I320-L323 WeakPolarHBondContact O-CB 3.44Å; I320-L323 PolarHBondContact O-N 3.32Å; I320-L324 HydrophobicContact CG2-CD1 3.87Å; I320-L324 HydrophobicContact CG2-CG 4.28Å; I320-L324 VanDerWaalsContact O-CG 3.32Å; I320-L324 WeakPolarHBondContact O-CG 3.45Å; I320-L324 PolarHBondContact O-N 3.39Å |
| 321 | V | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.4 | -48.6 | 173.8 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | L309 A312 V313 S317 A318 L323 L324 L325 I353 L356 | L309-V321 HydrophobicContact CD1-CG1 4.12Å; A312-V321 HydrophobicContact CB-CG2 3.89Å; V313-V321 HydrophobicContact CG2-CG2 3.89Å; S317-V321 WeakPolarHBondContact O-CG2 3.49Å; S317-V321 PolarHBondContact O-N 3Å; A318-V321 PolarHBondContact O-N 3.14Å; V321-L323 VanDerWaalsContact C-N 3.33Å; V321-L323 PolarHBondContact O-N 3.15Å; V321-L324 PolarHBondContact O-N 3.23Å; V321-L324 VanDerWaalsContact O-N 3.15Å; V321-L325 HydrophobicContact CG1-CD1 3.79Å; V321-L325 HydrophobicContact CG1-CG 4.2Å; V321-L325 VanDerWaalsContact O-CG 3.31Å; V321-L325 WeakPolarHBondContact O-CG 3.1Å; V321-L325 PolarHBondContact O-N 3.06Å; V321-I353 HydrophobicContact CG1-CG2 4.29Å; V321-I353 HydrophobicContact CG2-CD1 4.34Å; V321-I353 HydrophobicContact CG2-CG2 4.25Å; V321-L356 HydrophobicContact CG1-CD1 4.46Å |
| 322 | S | 95.1 | Very high | 91.6 | Very high | 43 Ų | 43 | 37.1 Ų | 37.1 | 30% | 0.301 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -56.6 | -46.6 | 176.6 | -170.5 | 0 | 0 | 0 | 0 | 111.8 | A318 I320 L324 L325 E326 | A318-S322 PolarHBondContact O-N 3.09Å; I320-S322 VanDerWaalsContact C-N 3.33Å; I320-S322 PolarHBondContact O-N 2.95Å; S322-L324 VanDerWaalsContact C-N 3.29Å; S322-L324 PolarHBondContact O-N 3.31Å; S322-L325 PolarHBondContact O-N 3.21Å; S322-E326 WeakPolarHBondContact O-CG 3.24Å; S322-E326 PolarHBondContact O-N 3.31Å |
| 323 | L | 95.1 | Very high | 91.4 | Very high | 16 Ų | 16 | 38.7 Ų | 38.7 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.8 | -36.5 | 178.1 | -74.1 | 171 | 0 | 0 | 0 | 112.8 | Q285 K289 S319 I320 V321 | Q285-L323 HydrophobicContact CG-CD1 3.72Å; K289-L323 HydrophobicContact CB-CD1 4.26Å; K289-L323 HydrophobicContact CD-CD2 4.15Å; K289-L323 HydrophobicContact CG-CD2 4.47Å; S319-L323 WeakPolarHBondContact O-CG 3.26Å; S319-L323 PolarHBondContact O-N 3.28Å; S319-L323 VanDerWaalsContact O-N 3.16Å; I320-L323 WeakPolarHBondContact O-CB 3.44Å; I320-L323 PolarHBondContact O-N 3.32Å; V321-L323 VanDerWaalsContact C-N 3.33Å; V321-L323 PolarHBondContact O-N 3.15Å |
| 324 | L | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -74.7 | -38.6 | 179.1 | -68.3 | 168.7 | 0 | 0 | 0 | 112.1 | I292 L298 V308 L309 A312 I320 V321 S322 E326 Q327 | I292-L324 HydrophobicContact CD1-CD2 3.81Å; L298-L324 HydrophobicContact CD2-CD2 4.14Å; V308-L324 HydrophobicContact CG1-CD1 3.81Å; V308-L324 HydrophobicContact CG1-CD2 3.75Å; V308-L324 HydrophobicContact CG1-CG 4.46Å; L309-L324 HydrophobicContact CD1-CB 4.46Å; L309-L324 HydrophobicContact CD1-CD1 4.49Å; A312-L324 HydrophobicContact CB-CD1 3.83Å; I320-L324 HydrophobicContact CG2-CD1 3.87Å; I320-L324 HydrophobicContact CG2-CG 4.28Å; I320-L324 VanDerWaalsContact O-CG 3.32Å; I320-L324 WeakPolarHBondContact O-CG 3.45Å; I320-L324 PolarHBondContact O-N 3.39Å; V321-L324 PolarHBondContact O-N 3.23Å; V321-L324 VanDerWaalsContact O-N 3.15Å; S322-L324 VanDerWaalsContact C-N 3.29Å; S322-L324 PolarHBondContact O-N 3.31Å; L324-E326 PolarHBondContact O-N 3.36Å; L324-Q327 WeakPolarHBondContact O-CB 3.31Å; L324-Q327 PolarHBondContact O-N 3.47Å |
| 325 | L | 93.3 | Very high | 91.4 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 7% | 0.068 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -31.2 | 177 | -67.5 | 174 | 0 | 0 | 0 | 112 | L309 V321 S322 Q327 N328 V331 L356 L357 Y360 | L309-L325 HydrophobicContact CD1-CD2 4.38Å; V321-L325 HydrophobicContact CG1-CD1 3.79Å; V321-L325 HydrophobicContact CG1-CG 4.2Å; V321-L325 VanDerWaalsContact O-CG 3.31Å; V321-L325 WeakPolarHBondContact O-CG 3.1Å; V321-L325 PolarHBondContact O-N 3.06Å; S322-L325 PolarHBondContact O-N 3.21Å; L325-Q327 PolarHBondContact O-N 2.97Å; L325-N328 PolarHBondContact O-N 3.27Å; L325-V331 HydrophobicContact CD2-CG1 3.61Å; L325-L356 HydrophobicContact CD1-CB 4.2Å; L325-L357 HydrophobicContact CD1-CD2 4.22Å; L325-L357 HydrophobicContact CD2-CD2 4.01Å; L325-Y360 HydrophobicContact CB-CD2 3.93Å; L325-Y360 HydrophobicContact CB-CE2 4.27Å; L325-Y360 HydrophobicContact CB-CG 4.33Å; L325-Y360 HydrophobicContact CD1-CG 4.47Å; L325-Y360 HydrophobicContact CD2-CD1 3.86Å; L325-Y360 HydrophobicContact CD2-CD2 4.21Å; L325-Y360 HydrophobicContact CD2-CE1 4.15Å; L325-Y360 HydrophobicContact CD2-CG 3.86Å; L325-Y360 HydrophobicContact CG-CG 4.44Å; L325-Y360 WeakPolarHBondContact O-CE2 3.45Å |
| 326 | E | 91.8 | Very high | 91.5 | Very high | 121 Ų | 121 | 50.1 Ų | 50.1 | 57% | 0.565 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -17.6 | 171.4 | -71.5 | 167.8 | -163 | 0 | 0 | 113.4 | S322 L324 | S322-E326 WeakPolarHBondContact O-CG 3.24Å; S322-E326 PolarHBondContact O-N 3.31Å; L324-E326 PolarHBondContact O-N 3.36Å |
| 327 | Q | 90.8 | Very high | 91.5 | Very high | 92 Ų | 92 | 51.9 Ų | 51.9 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 14 | -178.8 | -54.2 | -55.7 | -63.4 | 0 | 0 | 113.9 | I292 L298 L324 L325 I329 | I292-Q327 HydrophobicContact CG2-CG 3.66Å; L298-Q327 HydrophobicContact CD1-CB 3.61Å; L298-Q327 HydrophobicContact CD1-CG 4.11Å; L324-Q327 WeakPolarHBondContact O-CB 3.31Å; L324-Q327 PolarHBondContact O-N 3.47Å; L325-Q327 PolarHBondContact O-N 2.97Å; Q327-I329 PolarHBondContact O-N 3.31Å |
| 328 | N | 84.1 | Confident | 91.5 | Very high | 112 Ų | 112 | 52.5 Ų | 52.5 | 60% | 0.599 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 36.2 | -177.2 | -62.2 | -49.9 | 0 | 0 | 0 | 114.2 | L325 Y360 | L325-N328 PolarHBondContact O-N 3.27Å; N328-Y360 WeakPolarHBondContact CA-OH 3.27Å |
| 329 | I | 89.1 | Confident | 91.3 | Very high | 13 Ų | 13 | 54 Ų | 54 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | trans | -67.3 | 150.6 | 179.9 | -157.2 | 168.9 | 0 | 0 | 0 | 111.4 | L298 L309 Q327 V331 Y360 | L298-I329 HydrophobicContact CB-CD1 3.9Å; L298-I329 HydrophobicContact CB-CG1 4.47Å; L309-I329 HydrophobicContact CB-CD1 4.33Å; L309-I329 HydrophobicContact CD2-CG2 4.13Å; Q327-I329 PolarHBondContact O-N 3.31Å; I329-V331 PolarHBondContact O-N 3.46Å; I329-Y360 PolarHBondContact O-OH 3.06Å | ||
| 330 | D | 88.1 | Confident | 91.3 | Very high | 79 Ų | 79 | 52.1 Ų | 52.1 | 42% | 0.422 | 29% | 0.291 | S | S | . | . | trans | -68.7 | 118.9 | 171.4 | -175.1 | 6.3 | 0 | 0 | 0 | 110.4 | S332 S333 | D330-S332 WeakPolarHBondContact OD1-CB 3.38Å; D330-S332 PolarHBondContact OD1-N 2.98Å; D330-S332 PolarHBondContact OD1-OG 2.99Å; D330-S332 PolarHBondContact OD2-OG 3.43Å; D330-S333 PolarHBondContact OD2-OG 3.5Å | ||
| 331 | V | 89.4 | Confident | 91.1 | Very high | 45 Ų | 45 | 52.2 Ų | 52.2 | 27% | 0.273 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -91.8 | -9.3 | 179.6 | -61.9 | 0 | 0 | 0 | 0 | 113 | L309 L325 I329 L357 Y360 | L309-V331 HydrophobicContact CD2-CB 4.13Å; L309-V331 HydrophobicContact CD2-CG1 3.76Å; L325-V331 HydrophobicContact CD2-CG1 3.61Å; I329-V331 PolarHBondContact O-N 3.46Å; V331-L357 HydrophobicContact CG1-CD2 4.49Å; V331-Y360 HydrophobicContact CG1-CD1 3.75Å; V331-Y360 HydrophobicContact CG1-CE1 3.53Å; V331-Y360 HydrophobicContact CG2-CD1 4.47Å; V331-Y360 HydrophobicContact CG2-CE1 4.28Å |
| 332 | S | 89.8 | Confident | 91 | Very high | 79 Ų | 79 | 57.7 Ų | 57.7 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -92.4 | -12.3 | -175.9 | 72.1 | 0 | 0 | 0 | 0 | 113.9 | D330 | D330-S332 WeakPolarHBondContact OD1-CB 3.38Å; D330-S332 PolarHBondContact OD1-N 2.98Å; D330-S332 PolarHBondContact OD1-OG 2.99Å; D330-S332 PolarHBondContact OD2-OG 3.43Å |
| 333 | S | 91.1 | Very high | 90.8 | Very high | 33 Ų | 33 | 59.4 Ų | 59.4 | 23% | 0.231 | 32% | 0.316 | C | S | . | . | trans | -52.6 | 140.7 | 176.9 | -57.8 | 0 | 0 | 0 | 0 | 112.6 | D330 | D330-S333 PolarHBondContact OD2-OG 3.5Š| ||
| 334 | Q | 91.8 | Very high | 90.6 | Very high | 121 Ų | 121 | 59.4 Ų | 59.4 | 57% | 0.565 | 32% | 0.315 | S | S | * | . | B | Isolated β-bridge | trans | -111.9 | 147 | 178.6 | -69.6 | 178.7 | -24.3 | 0 | 0 | 110.6 | G338 Q339 T340 | Q334-G338 PolarHBondContact NE2-O 3.38Å; Q334-Q339 WeakPolarHBondContact CA-O 3.27Å; Q334-T340 HydrophobicContact CG-CG2 3.67Å |
| 335 | D | 89.8 | Confident | 90.4 | Very high | 14 Ų | 14 | 59.4 Ų | 59.4 | 8% | 0.075 | 32% | 0.315 | C | S | . | . | trans | -81.7 | -175.5 | 170.2 | 73.9 | 3.3 | 0 | 0 | 0 | 112.5 | G305 R306 I310 S337 G338 Q339 Y344 | G305-D335 WeakPolarHBondContact O-CA 3.47Å; R306-D335 HydrophobicContact CG-CB 3.75Å; I310-D335 HydrophobicContact CD1-CB 4.18Å; D335-S337 VanDerWaalsContact CG-OG 3.29Å; D335-S337 PolarHBondContact O-N 2.75Å; D335-S337 VanDerWaalsContact O-N 3.1Å; D335-S337 VanDerWaalsContact OD1-CA 3.31Å; D335-S337 WeakPolarHBondContact OD1-CA 3.1Å; D335-S337 WeakPolarHBondContact OD1-CB 3.39Å; D335-S337 PolarHBondContact OD1-N 3.02Å; D335-S337 PolarHBondContact OD1-OG 3.34Å; D335-S337 PolarHBondContact OD2-OG 3.29Å; D335-G338 PolarHBondContact O-N 3.49Å; D335-G338 PolarHBondContact OD1-N 3.33Å; D335-Q339 PolarHBondContact N-O 3.08Å; D335-Q339 PolarHBondContact OD1-N 3.18Å; D335-Y344 VanDerWaalsContact OD2-CE2 3.25Å; D335-Y344 WeakPolarHBondContact OD2-CE2 3.32Å; D335-Y344 VanDerWaalsContact OD2-CZ 3.31Å; D335-Y344 PolarHBondContact OD2-OH 2.9Å | ||
| 336 | L | 89.9 | Confident | 90.3 | Very high | 143 Ų | 143 | 63 Ų | 63 | 75% | 0.749 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -16.6 | 178.5 | -66.4 | 177.2 | 0 | 0 | 0 | 114.1 | Y304 G338 | Y304-L336 WeakPolarHBondContact O-CB 3.31Å; Y304-L336 VanDerWaalsContact O-CG 3.27Å; Y304-L336 WeakPolarHBondContact O-CG 3.2Å; Y304-L336 PolarHBondContact O-N 3.42Å; L336-G338 VanDerWaalsContact C-N 3.34Å |
| 337 | S | 88 | Confident | 90.1 | Very high | 62 Ų | 62 | 60.8 Ų | 60.8 | 43% | 0.434 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 1.7 | 174.8 | 74.2 | 0 | 0 | 0 | 0 | 113.2 | D335 Q339 | D335-S337 VanDerWaalsContact CG-OG 3.29Å; D335-S337 PolarHBondContact O-N 2.75Å; D335-S337 VanDerWaalsContact O-N 3.1Å; D335-S337 VanDerWaalsContact OD1-CA 3.31Å; D335-S337 WeakPolarHBondContact OD1-CA 3.1Å; D335-S337 WeakPolarHBondContact OD1-CB 3.39Å; D335-S337 PolarHBondContact OD1-N 3.02Å; D335-S337 PolarHBondContact OD1-OG 3.34Å; D335-S337 PolarHBondContact OD2-OG 3.29Å; S337-Q339 VanDerWaalsContact C-N 3.27Å; S337-Q339 WeakPolarHBondContact OG-CG 3.43Å |
| 338 | G | 90.3 | Very high | 89.8 | Confident | 28 Ų | 28 | 58.8 Ų | 58.8 | 29% | 0.289 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 74.4 | 17 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q334 D335 L336 | Q334-G338 PolarHBondContact NE2-O 3.38Å; D335-G338 PolarHBondContact O-N 3.49Å; D335-G338 PolarHBondContact OD1-N 3.33Å; L336-G338 VanDerWaalsContact C-N 3.34Å |
| 339 | Q | 89.9 | Confident | 90.1 | Very high | 58 Ų | 58 | 63.4 Ų | 63.4 | 27% | 0.271 | 34% | 0.34 | S | S | . | . | trans | -96.2 | 134.9 | -176.6 | -64.8 | -66.5 | -83.5 | 0 | 0 | 111.5 | Q334 D335 S337 E343 Y344 | Q334-Q339 WeakPolarHBondContact CA-O 3.27Å; D335-Q339 PolarHBondContact N-O 3.08Å; D335-Q339 PolarHBondContact OD1-N 3.18Å; S337-Q339 VanDerWaalsContact C-N 3.27Å; S337-Q339 WeakPolarHBondContact OG-CG 3.43Å; Q339-E343 VanDerWaalsContact CA-OE2 3.24Å; Q339-E343 WeakPolarHBondContact CA-OE2 3.05Å; Q339-Y344 HydrophobicContact CB-CD2 3.96Å; Q339-Y344 HydrophobicContact CB-CE2 3.38Å; Q339-Y344 HydrophobicContact CG-CE2 4.34Å | ||
| 340 | T | 93.5 | Very high | 90.1 | Very high | 22 Ų | 22 | 65.5 Ų | 65.5 | 14% | 0.135 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -91 | 164.1 | 175.7 | 64.4 | 0 | 0 | 0 | 0 | 111.8 | Q334 R342 E343 Y344 | Q334-T340 HydrophobicContact CG-CG2 3.67Å; T340-R342 PolarHBondContact O-N 3.33Å; T340-E343 PolarHBondContact N-OE2 3.12Å; T340-E343 PolarHBondContact O-N 3.2Å; T340-E343 WeakPolarHBondContact OG1-CG 3.37Å; T340-E343 PolarHBondContact OG1-N 3.4Å; T340-E343 PolarHBondContact OG1-OE2 3.33Å; T340-Y344 WeakPolarHBondContact O-CD2 3.48Å; T340-Y344 PolarHBondContact O-N 2.87Å |
| 341 | A | 92.1 | Very high | 90.2 | Very high | 2 Ų | 2 | 67.3 Ų | 67.3 | 2% | 0.017 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.8 | -37.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L309 I310 V313 A345 | L309-A341 HydrophobicContact CD2-CB 3.88Å; L309-A341 HydrophobicContact CG-CB 3.88Å; I310-A341 HydrophobicContact CG1-CB 4.02Å; V313-A341 WeakPolarHBondContact CG1-O 3.41Å; V313-A341 HydrophobicContact CG2-CB 4.05Å; A341-A345 PolarHBondContact O-N 3.33Å |
| 342 | R | 93.1 | Very high | 90.5 | Very high | 115 Ų | 115 | 69.2 Ų | 69.2 | 43% | 0.434 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.9 | -41.5 | 178.4 | -174.6 | -179.2 | 179.3 | 96.1 | 0.3 | 112 | T340 Y344 A345 V346 L357 S358 | T340-R342 PolarHBondContact O-N 3.33Å; R342-Y344 VanDerWaalsContact C-N 3.34Å; R342-A345 PolarHBondContact O-N 3.4Å; R342-V346 WeakPolarHBondContact O-CG2 3.34Å; R342-V346 PolarHBondContact O-N 3.42Å; R342-L357 HydrophobicContact CB-CD1 4.3Å; R342-S358 PolarHBondContact NH1-OG 3.22Å |
| 343 | E | 90.9 | Very high | 90.7 | Very high | 79 Ų | 79 | 65.6 Ų | 65.6 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 179.5 | -71.8 | 163.9 | 163.2 | 0 | 0 | 111 | Q339 T340 A345 V346 S347 | Q339-E343 VanDerWaalsContact CA-OE2 3.24Å; Q339-E343 WeakPolarHBondContact CA-OE2 3.05Å; T340-E343 PolarHBondContact N-OE2 3.12Å; T340-E343 PolarHBondContact O-N 3.2Å; T340-E343 WeakPolarHBondContact OG1-CG 3.37Å; T340-E343 PolarHBondContact OG1-N 3.4Å; T340-E343 PolarHBondContact OG1-OE2 3.33Å; E343-A345 PolarHBondContact O-N 2.81Å; E343-V346 PolarHBondContact O-N 2.66Å; E343-S347 WeakPolarHBondContact O-CB 3.23Å; E343-S347 PolarHBondContact O-N 3.22Å; E343-S347 PolarHBondContact O-OG 3.28Å |
| 344 | Y | 90.5 | Very high | 90.8 | Very high | 17 Ų | 17 | 65.1 Ų | 65.1 | 7% | 0.067 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61 | -42.6 | 172.2 | -82.1 | -70.2 | 0 | 0 | 0 | 113 | V117 I310 C314 D335 Q339 T340 R342 V346 S347 S348 | V117-Y344 HydrophobicContact CG1-CE1 3.74Å; V117-Y344 HydrophobicContact CG2-CE1 4.18Å; I310-Y344 HydrophobicContact CG2-CD2 3.65Å; I310-Y344 HydrophobicContact CG2-CE2 3.66Å; C314-Y344 VanDerWaalsContact SG-CD1 3.6Å; D335-Y344 VanDerWaalsContact OD2-CE2 3.25Å; D335-Y344 WeakPolarHBondContact OD2-CE2 3.32Å; D335-Y344 VanDerWaalsContact OD2-CZ 3.31Å; D335-Y344 PolarHBondContact OD2-OH 2.9Å; Q339-Y344 HydrophobicContact CB-CD2 3.96Å; Q339-Y344 HydrophobicContact CB-CE2 3.38Å; Q339-Y344 HydrophobicContact CG-CE2 4.34Å; T340-Y344 WeakPolarHBondContact O-CD2 3.48Å; T340-Y344 PolarHBondContact O-N 2.87Å; R342-Y344 VanDerWaalsContact C-N 3.34Å; Y344-V346 VanDerWaalsContact C-N 3.3Å; Y344-V346 PolarHBondContact O-N 2.88Å; Y344-S347 WeakPolarHBondContact CA-OG 3.47Å; Y344-S347 PolarHBondContact O-N 3.32Å; Y344-S347 PolarHBondContact O-OG 2.69Å; Y344-S348 VanDerWaalsContact O-CB 3.26Å; Y344-S348 WeakPolarHBondContact O-CB 3.44Å; Y344-S348 PolarHBondContact O-N 2.72Å; Y344-S348 PolarHBondContact O-OG 3.1Å; Y344-S348 VanDerWaalsContact O-OG 3.13Å |
| 345 | A | 91.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V313 A341 R342 E343 R349 H350 I353 C354 L357 | V313-A345 HydrophobicContact CG1-CB 3.67Å; A341-A345 PolarHBondContact O-N 3.33Å; R342-A345 PolarHBondContact O-N 3.4Å; E343-A345 PolarHBondContact O-N 2.81Å; A345-R349 PolarHBondContact O-N 2.8Å; A345-R349 VanDerWaalsContact O-N 3.15Å; A345-H350 PolarHBondContact O-N 3.32Å; A345-I353 HydrophobicContact CB-CB 4.35Å; A345-I353 HydrophobicContact CB-CG2 3.84Å; A345-C354 VanDerWaalsContact C-SG 3.52Å; A345-C354 VanDerWaalsContact CB-SG 3.53Å; A345-L357 HydrophobicContact CB-CD1 4.19Å |
| 346 | V | 90.5 | Very high | 91 | Very high | 89 Ų | 89 | 66.5 Ų | 66.5 | 54% | 0.539 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.3 | -47.4 | 177.9 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | R342 E343 Y344 S348 R349 | R342-V346 WeakPolarHBondContact O-CG2 3.34Å; R342-V346 PolarHBondContact O-N 3.42Å; E343-V346 PolarHBondContact O-N 2.66Å; Y344-V346 VanDerWaalsContact C-N 3.3Å; Y344-V346 PolarHBondContact O-N 2.88Å; V346-S348 VanDerWaalsContact C-N 3.28Å; V346-S348 PolarHBondContact O-N 3.23Å; V346-R349 PolarHBondContact O-N 2.97Å; V346-R349 VanDerWaalsContact O-N 3.13Å |
| 347 | S | 88.8 | Confident | 91.2 | Very high | 73 Ų | 73 | 60.2 Ų | 60.2 | 51% | 0.51 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.6 | -36.8 | -179.1 | 65.7 | 0 | 0 | 0 | 0 | 112.4 | E343 Y344 R349 | E343-S347 WeakPolarHBondContact O-CB 3.23Å; E343-S347 PolarHBondContact O-N 3.22Å; E343-S347 PolarHBondContact O-OG 3.28Å; Y344-S347 WeakPolarHBondContact CA-OG 3.47Å; Y344-S347 PolarHBondContact O-N 3.32Å; Y344-S347 PolarHBondContact O-OG 2.69Å; S347-R349 VanDerWaalsContact C-N 3.33Å |
| 348 | S | 84.2 | Confident | 91.3 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 36% | 0.357 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 0.2 | 179.5 | -58.4 | 0 | 0 | 0 | 0 | 113.5 | Y344 V346 H350 | Y344-S348 VanDerWaalsContact O-CB 3.26Å; Y344-S348 WeakPolarHBondContact O-CB 3.44Å; Y344-S348 PolarHBondContact O-N 2.72Å; Y344-S348 PolarHBondContact O-OG 3.1Å; Y344-S348 VanDerWaalsContact O-OG 3.13Å; V346-S348 VanDerWaalsContact C-N 3.28Å; V346-S348 PolarHBondContact O-N 3.23Å; S348-H350 VanDerWaalsContact C-N 3.28Å; S348-H350 WeakPolarHBondContact CB-CD2 3.29Å; S348-H350 WeakPolarHBondContact CB-NE2 3.33Å; S348-H350 PolarHBondContact O-N 3.12Å |
| 349 | R | 89.8 | Confident | 91.4 | Very high | 209 Ų | 209 | 60.7 Ų | 60.7 | 79% | 0.789 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 35.4 | -179.4 | -54.4 | -179.4 | 178 | -174.1 | -1.9 | 113.7 | A345 V346 S347 N351 | A345-R349 PolarHBondContact O-N 2.8Å; A345-R349 VanDerWaalsContact O-N 3.15Å; V346-R349 PolarHBondContact O-N 2.97Å; V346-R349 VanDerWaalsContact O-N 3.13Å; S347-R349 VanDerWaalsContact C-N 3.33Å; R349-N351 VanDerWaalsContact C-N 3.3Å; R349-N351 PolarHBondContact O-N 3.48Å |
| 350 | H | 88.8 | Confident | 91.4 | Very high | 56 Ų | 56 | 59.1 Ų | 59.1 | 26% | 0.259 | 30% | 0.301 | S | S | . | . | trans | -81.8 | 73.5 | 175.1 | -65.9 | -50 | 0 | 0 | 0 | 110.9 | V313 A345 S348 V352 I353 C354 | V313-H350 PolarHBondContact O-CD2 3.03Å; A345-H350 PolarHBondContact O-N 3.32Å; S348-H350 VanDerWaalsContact C-N 3.28Å; S348-H350 WeakPolarHBondContact CB-CD2 3.29Å; S348-H350 WeakPolarHBondContact CB-NE2 3.33Å; S348-H350 PolarHBondContact O-N 3.12Å; H350-V352 VanDerWaalsContact C-N 3.29Å; H350-V352 PolarHBondContact O-N 2.85Å; H350-I353 HydrophobicContact CB-CB 3.88Å; H350-I353 HydrophobicContact CB-CD1 3.78Å; H350-I353 HydrophobicContact CB-CG1 4.02Å; H350-I353 WeakPolarHBondContact O-CB 3.45Å; H350-I353 PolarHBondContact O-N 3.27Å; H350-C354 PolarHBondContact O-N 3.44Å; H350-C354 PolarHBondContact O-SG 3.36Å | ||
| 351 | N | 91.4 | Very high | 91.1 | Very high | 117 Ų | 117 | 64.3 Ų | 64.3 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -52.5 | -42.5 | -173.5 | -64 | -20.5 | 0 | 0 | 0 | 113.8 | R349 I353 C354 Q355 | R349-N351 VanDerWaalsContact C-N 3.3Å; R349-N351 PolarHBondContact O-N 3.48Å; N351-I353 VanDerWaalsContact C-N 3.34Å; N351-I353 PolarHBondContact O-N 3.39Å; N351-C354 WeakPolarHBondContact O-CB 3.45Å; N351-C354 PolarHBondContact O-N 3.19Å; N351-Q355 WeakPolarHBondContact O-CG 3.29Å; N351-Q355 PolarHBondContact O-N 2.82Å |
| 352 | V | 94.1 | Very high | 90.8 | Very high | 86 Ų | 86 | 70 Ų | 70 | 52% | 0.521 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 178.2 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | A318 H350 Q355 L356 | A318-V352 HydrophobicContact CB-CG1 3.96Å; H350-V352 VanDerWaalsContact C-N 3.29Å; H350-V352 PolarHBondContact O-N 2.85Å; V352-Q355 WeakPolarHBondContact O-CB 3.47Å; V352-Q355 PolarHBondContact O-N 3.49Å; V352-L356 HydrophobicContact CG1-CD1 4.37Å; V352-L356 WeakPolarHBondContact O-CG 3.38Å; V352-L356 PolarHBondContact O-N 3.41Å |
| 353 | I | 93.7 | Very high | 90.5 | Very high | 3 Ų | 3 | 71.5 Ų | 71.5 | 2% | 0.015 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.7 | -39.6 | 178.2 | -62.3 | 178.9 | 0 | 0 | 0 | 110.5 | V313 A318 V321 A345 H350 N351 Q355 L356 L357 | V313-I353 HydrophobicContact CB-CG2 4.39Å; V313-I353 HydrophobicContact CG1-CG2 4.07Å; V313-I353 HydrophobicContact CG2-CG2 3.7Å; A318-I353 HydrophobicContact CB-CG1 4Å; V321-I353 HydrophobicContact CG1-CG2 4.29Å; V321-I353 HydrophobicContact CG2-CD1 4.34Å; V321-I353 HydrophobicContact CG2-CG2 4.25Å; A345-I353 HydrophobicContact CB-CB 4.35Å; A345-I353 HydrophobicContact CB-CG2 3.84Å; H350-I353 HydrophobicContact CB-CB 3.88Å; H350-I353 HydrophobicContact CB-CD1 3.78Å; H350-I353 HydrophobicContact CB-CG1 4.02Å; H350-I353 WeakPolarHBondContact O-CB 3.45Å; H350-I353 PolarHBondContact O-N 3.27Å; N351-I353 VanDerWaalsContact C-N 3.34Å; N351-I353 PolarHBondContact O-N 3.39Å; I353-Q355 VanDerWaalsContact C-N 3.29Å; I353-Q355 PolarHBondContact O-N 2.91Å; I353-L356 PolarHBondContact O-N 2.75Å; I353-L357 HydrophobicContact CG2-CD1 4.04Å; I353-L357 HydrophobicContact CG2-CG 4.37Å; I353-L357 WeakPolarHBondContact O-CB 3.38Å; I353-L357 WeakPolarHBondContact O-CG 3.19Å; I353-L357 PolarHBondContact O-N 2.91Å |
| 354 | C | 93.1 | Very high | 90 | Very high | 22 Ų | 22 | 70.8 Ų | 70.8 | 15% | 0.149 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.6 | -41.1 | 173.4 | -66.7 | 0 | 0 | 0 | 0 | 112.2 | A345 H350 N351 S358 | A345-C354 VanDerWaalsContact C-SG 3.52Å; A345-C354 VanDerWaalsContact CB-SG 3.53Å; H350-C354 PolarHBondContact O-N 3.44Å; H350-C354 PolarHBondContact O-SG 3.36Å; N351-C354 WeakPolarHBondContact O-CB 3.45Å; N351-C354 PolarHBondContact O-N 3.19Å; C354-S358 WeakPolarHBondContact O-CB 3.23Å; C354-S358 PolarHBondContact O-N 3.32Å; C354-S358 PolarHBondContact O-OG 3.16Å |
| 355 | Q | 93.6 | Very high | 89.5 | Confident | 120 Ų | 120 | 74.9 Ų | 74.9 | 56% | 0.561 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.2 | -52.8 | 174.6 | -73.4 | 172.8 | -22.1 | 0 | 0 | 110.7 | N351 V352 I353 L357 S358 D359 | N351-Q355 WeakPolarHBondContact O-CG 3.29Å; N351-Q355 PolarHBondContact O-N 2.82Å; V352-Q355 WeakPolarHBondContact O-CB 3.47Å; V352-Q355 PolarHBondContact O-N 3.49Å; I353-Q355 VanDerWaalsContact C-N 3.29Å; I353-Q355 PolarHBondContact O-N 2.91Å; Q355-L357 VanDerWaalsContact C-N 3.28Å; Q355-L357 PolarHBondContact O-N 3.28Å; Q355-S358 WeakPolarHBondContact O-CA 3.25Å; Q355-S358 WeakPolarHBondContact O-CB 3.36Å; Q355-S358 PolarHBondContact O-N 2.87Å; Q355-D359 VanDerWaalsContact O-CG 3.26Å; Q355-D359 PolarHBondContact O-N 2.9Å |
| 356 | L | 94.2 | Very high | 88.8 | Confident | 45 Ų | 45 | 80.4 Ų | 80.4 | 24% | 0.236 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -53 | -43.6 | 178.2 | -71.4 | 172.5 | 0 | 0 | 0 | 113 | A318 V321 L325 V352 I353 Y360 | A318-L356 HydrophobicContact CB-CD1 4.09Å; V321-L356 HydrophobicContact CG1-CD1 4.46Å; L325-L356 HydrophobicContact CD1-CB 4.2Å; V352-L356 HydrophobicContact CG1-CD1 4.37Å; V352-L356 WeakPolarHBondContact O-CG 3.38Å; V352-L356 PolarHBondContact O-N 3.41Å; I353-L356 PolarHBondContact O-N 2.75Å; L356-Y360 WeakPolarHBondContact O-CB 3.17Å; L356-Y360 PolarHBondContact O-N 2.93Å |
| 357 | L | 92.4 | Very high | 88.2 | Confident | 10 Ų | 10 | 81.1 Ų | 81.1 | 5% | 0.052 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -69.1 | -32.5 | 177.2 | -69 | 173 | 0 | 0 | 0 | 112.9 | L309 V313 L325 V331 R342 A345 I353 Q355 K361 | L309-L357 HydrophobicContact CD2-CD2 4.35Å; V313-L357 HydrophobicContact CG2-CD1 4.45Å; L325-L357 HydrophobicContact CD1-CD2 4.22Å; L325-L357 HydrophobicContact CD2-CD2 4.01Å; V331-L357 HydrophobicContact CG1-CD2 4.49Å; R342-L357 HydrophobicContact CB-CD1 4.3Å; A345-L357 HydrophobicContact CB-CD1 4.19Å; I353-L357 HydrophobicContact CG2-CD1 4.04Å; I353-L357 HydrophobicContact CG2-CG 4.37Å; I353-L357 WeakPolarHBondContact O-CB 3.38Å; I353-L357 WeakPolarHBondContact O-CG 3.19Å; I353-L357 PolarHBondContact O-N 2.91Å; Q355-L357 VanDerWaalsContact C-N 3.28Å; Q355-L357 PolarHBondContact O-N 3.28Å; L357-K361 PolarHBondContact O-N 2.82Å |
| 358 | S | 91.3 | Very high | 87.3 | Confident | 27 Ų | 27 | 81.3 Ų | 81.3 | 19% | 0.189 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -72.4 | -49 | 176.8 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | R342 C354 Q355 Y360 K361 E362 | R342-S358 PolarHBondContact NH1-OG 3.22Å; C354-S358 WeakPolarHBondContact O-CB 3.23Å; C354-S358 PolarHBondContact O-N 3.32Å; C354-S358 PolarHBondContact O-OG 3.16Å; Q355-S358 WeakPolarHBondContact O-CA 3.25Å; Q355-S358 WeakPolarHBondContact O-CB 3.36Å; Q355-S358 PolarHBondContact O-N 2.87Å; S358-Y360 VanDerWaalsContact C-N 3.27Å; S358-Y360 PolarHBondContact O-N 3.06Å; S358-K361 PolarHBondContact O-N 3.08Å; S358-E362 PolarHBondContact O-N 3.38Å |
| 359 | D | 91.3 | Very high | 86.4 | Confident | 74 Ų | 74 | 81.8 Ų | 81.8 | 40% | 0.396 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.9 | -40.2 | 177.6 | -62.5 | -2.1 | 0 | 0 | 0 | 111.5 | Q355 K363 | Q355-D359 VanDerWaalsContact O-CG 3.26Å; Q355-D359 PolarHBondContact O-N 2.9Å; D359-K363 WeakPolarHBondContact O-CB 3.31Å; D359-K363 VanDerWaalsContact O-CG 3.26Å; D359-K363 WeakPolarHBondContact O-CG 3.49Å; D359-K363 PolarHBondContact O-N 3.11Å |
| 360 | Y | 90.9 | Very high | 85.1 | Confident | 25 Ų | 25 | 75.2 Ų | 75.2 | 10% | 0.098 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 176.1 | 178 | -99 | 0 | 0 | 0 | 112.3 | L325 N328 I329 V331 L356 S358 K363 Q364 | L325-Y360 HydrophobicContact CB-CD2 3.93Å; L325-Y360 HydrophobicContact CB-CE2 4.27Å; L325-Y360 HydrophobicContact CB-CG 4.33Å; L325-Y360 HydrophobicContact CD1-CG 4.47Å; L325-Y360 HydrophobicContact CD2-CD1 3.86Å; L325-Y360 HydrophobicContact CD2-CD2 4.21Å; L325-Y360 HydrophobicContact CD2-CE1 4.15Å; L325-Y360 HydrophobicContact CD2-CG 3.86Å; L325-Y360 HydrophobicContact CG-CG 4.44Å; L325-Y360 WeakPolarHBondContact O-CE2 3.45Å; N328-Y360 WeakPolarHBondContact CA-OH 3.27Å; I329-Y360 PolarHBondContact O-OH 3.06Å; V331-Y360 HydrophobicContact CG1-CD1 3.75Å; V331-Y360 HydrophobicContact CG1-CE1 3.53Å; V331-Y360 HydrophobicContact CG2-CD1 4.47Å; V331-Y360 HydrophobicContact CG2-CE1 4.28Å; L356-Y360 WeakPolarHBondContact O-CB 3.17Å; L356-Y360 PolarHBondContact O-N 2.93Å; S358-Y360 VanDerWaalsContact C-N 3.27Å; S358-Y360 PolarHBondContact O-N 3.06Å; Y360-K363 PolarHBondContact O-N 3.28Å; Y360-Q364 HydrophobicContact CD1-CG 4.32Å; Y360-Q364 HydrophobicContact CE1-CG 3.94Å; Y360-Q364 HydrophobicContact CE2-CG 4.39Å; Y360-Q364 WeakPolarHBondContact O-CG 3.4Å; Y360-Q364 PolarHBondContact O-N 3.21Å; Y360-Q364 PolarHBondContact OH-NE2 2.7Å |
| 361 | K | 86.1 | Confident | 83.5 | Confident | 131 Ų | 131 | 78.1 Ų | 78.1 | 57% | 0.57 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.1 | -41.6 | 177.7 | -170.8 | 176.2 | -179 | 178.4 | 0 | 111.6 | L357 S358 Q364 I365 | L357-K361 PolarHBondContact O-N 2.82Å; S358-K361 PolarHBondContact O-N 3.08Å; K361-Q364 PolarHBondContact O-N 2.9Å; K361-I365 HydrophobicContact CG-CD1 4.21Å; K361-I365 VanDerWaalsContact O-CG1 3.3Å; K361-I365 WeakPolarHBondContact O-CG1 3.27Å; K361-I365 PolarHBondContact O-N 2.89Å |
| 362 | E | 86.8 | Confident | 81.8 | Confident | 120 Ų | 120 | 78.9 Ų | 78.9 | 56% | 0.561 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.6 | -44.6 | 175.1 | -71.5 | 175.6 | -169.8 | 0 | 0 | 111.7 | S358 Q364 I365 L366 | S358-E362 PolarHBondContact O-N 3.38Å; E362-Q364 VanDerWaalsContact C-N 3.34Å; E362-Q364 PolarHBondContact O-N 3.39Å; E362-I365 PolarHBondContact O-N 3.09Å; E362-L366 WeakPolarHBondContact O-CG 3.49Å; E362-L366 PolarHBondContact O-N 3.05Å |
| 363 | K | 85.9 | Confident | 79.8 | Confident | 147 Ų | 147 | 78.9 Ų | 78.9 | 64% | 0.639 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.5 | -40.6 | 175.4 | -73.9 | 172 | -175.5 | 177.3 | 0 | 112.9 | D359 Y360 L366 K367 | D359-K363 WeakPolarHBondContact O-CB 3.31Å; D359-K363 VanDerWaalsContact O-CG 3.26Å; D359-K363 WeakPolarHBondContact O-CG 3.49Å; D359-K363 PolarHBondContact O-N 3.11Å; Y360-K363 PolarHBondContact O-N 3.28Å; K363-L366 PolarHBondContact O-N 2.65Å; K363-K367 WeakPolarHBondContact O-CB 3.37Å; K363-K367 PolarHBondContact O-N 2.81Å |
| 364 | Q | 81.2 | Confident | 77.4 | Confident | 65 Ų | 65 | 85.7 Ų | 85.7 | 30% | 0.304 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 176 | -74 | -77 | 23.2 | 0 | 0 | 111.7 | Y360 K361 E362 L366 K367 V368 | Y360-Q364 HydrophobicContact CD1-CG 4.32Å; Y360-Q364 HydrophobicContact CE1-CG 3.94Å; Y360-Q364 HydrophobicContact CE2-CG 4.39Å; Y360-Q364 WeakPolarHBondContact O-CG 3.4Å; Y360-Q364 PolarHBondContact O-N 3.21Å; Y360-Q364 PolarHBondContact OH-NE2 2.7Å; K361-Q364 PolarHBondContact O-N 2.9Å; E362-Q364 VanDerWaalsContact C-N 3.34Å; E362-Q364 PolarHBondContact O-N 3.39Å; Q364-L366 PolarHBondContact O-N 2.88Å; Q364-K367 PolarHBondContact O-N 2.72Å; Q364-V368 WeakPolarHBondContact O-CG2 3.47Å; Q364-V368 PolarHBondContact O-N 3.42Å; Q364-V368 VanDerWaalsContact O-N 3.1Å |
| 365 | I | 80.7 | Confident | 75 | Confident | 102 Ų | 102 | 90.1 Ų | 90.1 | 52% | 0.523 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 177.2 | -67.6 | 163.6 | 0 | 0 | 0 | 111.1 | K361 E362 K367 V368 S369 | K361-I365 HydrophobicContact CG-CD1 4.21Å; K361-I365 VanDerWaalsContact O-CG1 3.3Å; K361-I365 WeakPolarHBondContact O-CG1 3.27Å; K361-I365 PolarHBondContact O-N 2.89Å; E362-I365 PolarHBondContact O-N 3.09Å; I365-K367 VanDerWaalsContact C-N 3.31Å; I365-K367 PolarHBondContact O-N 3.2Å; I365-V368 PolarHBondContact O-N 2.82Å; I365-S369 PolarHBondContact O-N 3.31Å |
| 366 | L | 77.1 | Confident | 72.5 | Confident | 116 Ų | 116 | 93.4 Ų | 93.4 | 61% | 0.607 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.3 | -39.2 | 178.1 | -70.6 | 170.5 | 0 | 0 | 0 | 111.8 | E362 K363 Q364 S369 S370 | E362-L366 WeakPolarHBondContact O-CG 3.49Å; E362-L366 PolarHBondContact O-N 3.05Å; K363-L366 PolarHBondContact O-N 2.65Å; Q364-L366 PolarHBondContact O-N 2.88Å; L366-S369 WeakPolarHBondContact CA-OG 3.42Å; L366-S369 PolarHBondContact O-N 3.35Å; L366-S369 PolarHBondContact O-OG 3Å; L366-S370 PolarHBondContact O-N 3.23Å; L366-S370 VanDerWaalsContact O-N 3.08Å; L366-S370 PolarHBondContact O-OG 3.29Å |
| 367 | K | 76.4 | Confident | 69.8 | Low | 105 Ų | 105 | 100.6 Ų | 100.6 | 46% | 0.457 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 176.4 | -167.8 | 177.3 | 178.8 | -172.2 | 0 | 112.3 | K363 Q364 I365 S369 S370 E371 | K363-K367 WeakPolarHBondContact O-CB 3.37Å; K363-K367 PolarHBondContact O-N 2.81Å; Q364-K367 PolarHBondContact O-N 2.72Å; I365-K367 VanDerWaalsContact C-N 3.31Å; I365-K367 PolarHBondContact O-N 3.2Å; K367-S369 VanDerWaalsContact C-N 3.3Å; K367-S369 PolarHBondContact O-N 3.11Å; K367-S370 PolarHBondContact O-N 3.33Å; K367-S370 PolarHBondContact O-OG 2.99Å; K367-E371 VanDerWaalsContact CE-OE1 3.28Å; K367-E371 WeakPolarHBondContact CE-OE1 3.28Å; K367-E371 WeakPolarHBondContact O-CG 3.4Å; K367-E371 PolarHBondContact O-N 3.45Å; K367-E371 VanDerWaalsContact O-N 3.09Å |
| 368 | V | 71.1 | Confident | 67 | Low | 76 Ų | 76 | 107 Ų | 107 | 46% | 0.461 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.9 | -37.7 | 175.8 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | Q364 I365 E371 N372 | Q364-V368 WeakPolarHBondContact O-CG2 3.47Å; Q364-V368 PolarHBondContact O-N 3.42Å; Q364-V368 VanDerWaalsContact O-N 3.1Å; I365-V368 PolarHBondContact O-N 2.82Å; V368-E371 PolarHBondContact O-N 2.81Å; V368-N372 PolarHBondContact O-N 3.16Å; V368-N372 PolarHBondContact O-ND2 3.18Å |
| 369 | S | 65.1 | Low | 64.6 | Low | 62 Ų | 62 | 113.7 Ų | 113.7 | 43% | 0.434 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.4 | -33.6 | 177.3 | 65.1 | 0 | 0 | 0 | 0 | 113.9 | I365 L366 K367 S373 | I365-S369 PolarHBondContact O-N 3.31Å; L366-S369 WeakPolarHBondContact CA-OG 3.42Å; L366-S369 PolarHBondContact O-N 3.35Å; L366-S369 PolarHBondContact O-OG 3Å; K367-S369 VanDerWaalsContact C-N 3.3Å; K367-S369 PolarHBondContact O-N 3.11Å; S369-S373 PolarHBondContact O-OG 3.3Å |
| 370 | S | 61.1 | Low | 61.7 | Low | 70 Ų | 70 | 119.1 Ų | 119.1 | 49% | 0.49 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -73.6 | -33.3 | 174.9 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | L366 K367 S373 | L366-S370 PolarHBondContact O-N 3.23Å; L366-S370 VanDerWaalsContact O-N 3.08Å; L366-S370 PolarHBondContact O-OG 3.29Å; K367-S370 PolarHBondContact O-N 3.33Å; K367-S370 PolarHBondContact O-OG 2.99Å; S370-S373 WeakPolarHBondContact O-CB 3.3Å; S370-S373 PolarHBondContact O-N 3.3Å |
| 371 | E | 56.5 | Low | 58.7 | Low | 117 Ų | 117 | 123.9 Ų | 123.9 | 55% | 0.547 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -71.3 | -31.7 | 177.6 | -72.6 | 171 | -176.9 | 0 | 0 | 111.7 | K367 V368 S373 | K367-E371 VanDerWaalsContact CE-OE1 3.28Å; K367-E371 WeakPolarHBondContact CE-OE1 3.28Å; K367-E371 WeakPolarHBondContact O-CG 3.4Å; K367-E371 PolarHBondContact O-N 3.45Å; K367-E371 VanDerWaalsContact O-N 3.09Å; V368-E371 PolarHBondContact O-N 2.81Å; E371-S373 PolarHBondContact O-N 3.34Å |
| 372 | N | 55 | Low | 56 | Low | 133 Ų | 133 | 124.6 Ų | 124.6 | 71% | 0.711 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 2.2 | 174 | -67.6 | -23.2 | 0 | 0 | 0 | 114.4 | V368 | V368-N372 PolarHBondContact O-N 3.16Å; V368-N372 PolarHBondContact O-ND2 3.18Å |
| 373 | S | 52 | Low | 53.5 | Low | 86 Ų | 86 | 122.7 Ų | 122.7 | 60% | 0.601 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 9.8 | -179.5 | -55.8 | 0 | 0 | 0 | 0 | 113.8 | S369 S370 E371 P375 | S369-S373 PolarHBondContact O-OG 3.3Å; S370-S373 WeakPolarHBondContact O-CB 3.3Å; S370-S373 PolarHBondContact O-N 3.3Å; E371-S373 PolarHBondContact O-N 3.34Å; S373-P375 WeakPolarHBondContact O-CD 3.34Å |
| 374 | N | 43.1 | Very low | 50.8 | Low | 146 Ų | 146 | 124.8 Ų | 124.8 | 78% | 0.781 | 66% | 0.663 | S | S | * | * | trans | -99.9 | 99.9 | 167.3 | -83.2 | -13.4 | 0 | 0 | 0 | 109.9 | ||||
| 375 | P | 43.8 | Very low | 48.4 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 75% | 0.747 | 69% | 0.689 | S | S | * | * | trans | -98.2 | 90 | 175.1 | 35.2 | -23 | 0 | 0 | 0 | 109.1 | S373 | S373-P375 WeakPolarHBondContact O-CD 3.34Š| ||
| 376 | E | 40.7 | Very low | 46.1 | Very low | 189 Ų | 189 | 134.5 Ų | 134.5 | 88% | 0.883 | 71% | 0.706 | S | S | * | * | trans | -133.5 | 73 | 155 | -80.1 | -162.7 | 164.7 | 0 | 0 | 109 | ||||
| 377 | Q | 36.8 | Very low | 43.8 | Very low | 197 Ų | 197 | 133.6 Ų | 133.6 | 92% | 0.921 | 71% | 0.71 | S | S | * | * | S | Bend | -170.5 | 105.6 | 127.2 | -99.4 | 169.2 | 20 | 0 | 0 | 108.8 | |||
| 378 | D | 33.1 | Very low | 41.5 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | trans | -56.7 | 142.2 | -178.9 | -87.6 | -39.5 | 0 | 0 | 0 | 113.9 | K380 | D378-K380 PolarHBondContact O-N 2.95Å; D378-K380 VanDerWaalsContact O-N 3.11Å | ||
| 379 | L | 42.3 | Very low | 39.5 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | 11.8 | 90.7 | 126.2 | -73 | 157.6 | 0 | 0 | 0 | 115.1 | |||||
| 380 | K | 29.7 | Very low | 37.7 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | trans | -134.3 | 112.2 | 143.7 | -121.6 | 176.1 | 175.2 | 175.6 | 0 | 109.6 | D378 | D378-K380 PolarHBondContact O-N 2.95Å; D378-K380 VanDerWaalsContact O-N 3.11Å | ||
| 381 | L | 27.9 | Very low | 36.2 | Very low | 125 Ų | 125 | 153.7 Ų | 153.7 | 65% | 0.654 | 78% | 0.777 | S | S | * | * | trans | 81.9 | 79.3 | 150.4 | -57.8 | 157.3 | 0 | 0 | 0 | 117.2 | S383 | L381-S383 PolarHBondContact O-N 3.4Š| ||
| 382 | T | 29.5 | Very low | 34.7 | Very low | 146 Ų | 146 | 151.4 Ų | 151.4 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | S | Bend | -74.2 | 83.7 | 127.6 | 54.1 | 0 | 0 | 0 | 0 | 108 | |||
| 383 | S | 34.3 | Very low | 33.4 | Very low | 80 Ų | 80 | 149.8 Ų | 149.8 | 56% | 0.559 | 78% | 0.783 | S | S | * | * | trans | 172.2 | 87.3 | 154.4 | 35.1 | 0 | 0 | 0 | 0 | 107.6 | L381 | L381-S383 PolarHBondContact O-N 3.4Š| ||
| 384 | E | 29.3 | Very low | 32.1 | Very low | 191 Ų | 191 | 153.7 Ų | 153.7 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -164.3 | 117.5 | 130.4 | -103.4 | 165.1 | -161.2 | 0 | 0 | 106.8 | ||||
| 385 | E | 30.1 | Very low | 31.3 | Very low | 182 Ų | 182 | 153.9 Ų | 153.9 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | -57.7 | 154.7 | 172.5 | -67 | 167.8 | 138.7 | 0 | 0 | 110.6 | S387 | E385-S387 PolarHBondContact O-N 3.05Š| ||
| 386 | E | 33.6 | Very low | 30.5 | Very low | 189 Ų | 189 | 154 Ų | 154 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | 16 | 99.2 | 148.9 | -64.3 | -173.6 | 138.9 | 0 | 0 | 117.2 | ||||
| 387 | S | 27.4 | Very low | 29.9 | Very low | 97 Ų | 97 | 153.8 Ų | 153.8 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | -155.3 | 116.1 | 142.9 | -96.2 | 0 | 0 | 0 | 0 | 113.3 | E385 | E385-S387 PolarHBondContact O-N 3.05Š| ||
| 388 | Q | 30.1 | Very low | 30 | Very low | 175 Ų | 175 | 149.6 Ų | 149.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | 74.3 | 104.3 | 137.2 | -56.5 | 171.5 | 31.6 | 0 | 0 | 115.6 | ||||
| 389 | R | 27.6 | Very low | 29.7 | Very low | 232 Ų | 232 | 151.4 Ų | 151.4 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | 56.2 | 120.8 | 81.5 | -141 | -173.3 | -153.4 | 180 | 7 | 112.2 | |||||
| 390 | L | 28.1 | Very low | 29 | Very low | 137 Ų | 137 | 152.2 Ų | 152.2 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | trans | 89.9 | 123.7 | 155.8 | -75 | 142.6 | 0 | 0 | 0 | 119.9 | ||||
| 391 | K | 29.2 | Very low | 28.7 | Very low | 192 Ų | 192 | 151.6 Ų | 151.6 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | 71.2 | 119.7 | 153.4 | -60.2 | 174.1 | -177.9 | -175.8 | 0 | 114 | ||||
| 392 | G | 25.1 | Very low | 28.7 | Very low | 68 Ų | 68 | 150.5 Ų | 150.5 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | cis | 98.8 | 115.4 | 38 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 393 | S | 27.4 | Very low | 28.6 | Very low | 99 Ų | 99 | 152.8 Ų | 152.8 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | trans | 153.1 | 140.1 | 143 | 51.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 394 | E | 25.2 | Very low | 28.3 | Very low | 168 Ų | 168 | 157.8 Ų | 157.8 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | 70.1 | 107.7 | 140.7 | -67.5 | 162.7 | -162.5 | 0 | 0 | 118.4 | ||||
| 395 | N | 25.4 | Very low | 28.5 | Very low | 151 Ų | 151 | 154.5 Ų | 154.5 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | 66.6 | 107.3 | 86.5 | -86 | -2.5 | 0 | 0 | 0 | 112.9 | |||||
| 396 | S | 27 | Very low | 28.5 | Very low | 116 Ų | 116 | 154.7 Ų | 154.7 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | 157 | 136.9 | 109.2 | -63.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 397 | Q | 28.7 | Very low | 28.4 | Very low | 186 Ų | 186 | 151.9 Ų | 151.9 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -50.3 | 174.1 | 156.8 | -66.7 | 178.4 | -79.8 | 0 | 0 | 111 | ||||
| 398 | P | 39.8 | Very low | 28.6 | Very low | 108 Ų | 108 | 154.4 Ų | 154.4 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | -150.7 | -175.2 | 28.5 | 29.2 | -0.8 | 0 | 0 | 0 | 116.8 | ||||
| 399 | E | 25.2 | Very low | 29.2 | Very low | 184 Ų | 184 | 153.4 Ų | 153.4 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | 134.6 | 126.4 | 131.8 | -65.8 | -158.4 | 160.3 | 0 | 0 | 116.6 | ||||
| 400 | E | 27.6 | Very low | 29.4 | Very low | 182 Ų | 182 | 145.7 Ų | 145.7 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -65.6 | 149 | 170.2 | -69.9 | 173.2 | 121.2 | 0 | 0 | 112.2 | ||||
| 401 | M | 23.5 | Very low | 29.9 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | -162 | 107 | 131.6 | -116.7 | -176.2 | -57.9 | 0 | 0 | 111.6 | ||||
| 402 | S | 28.4 | Very low | 30.7 | Very low | 101 Ų | 101 | 135.9 Ų | 135.9 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 28.4 | 123 | 132 | -41.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 403 | Q | 28 | Very low | 32 | Very low | 195 Ų | 195 | 140.6 Ų | 140.6 | 91% | 0.911 | 75% | 0.752 | S | S | * | * | 175.2 | 114.6 | 110.3 | -92.2 | 165 | 8 | 0 | 0 | 111.1 | |||||
| 404 | E | 28.1 | Very low | 33.1 | Very low | 185 Ų | 185 | 142.5 Ų | 142.5 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | trans | -80 | 151.3 | 167 | -66 | -174 | 145.7 | 0 | 0 | 111.1 | ||||
| 405 | P | 33.3 | Very low | 34.5 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 79% | 0.792 | 72% | 0.715 | S | S | * | * | trans | -107.5 | 114.3 | 157 | 29.7 | -16.5 | 0 | 0 | 0 | 112.4 | ||||
| 406 | E | 29.3 | Very low | 35.8 | Very low | 186 Ų | 186 | 133 Ų | 133 | 87% | 0.869 | 70% | 0.7 | S | S | * | * | trans | 31.9 | 115.3 | 138.3 | -74.1 | -78.6 | 149.8 | 0 | 0 | 119.8 | ||||
| 407 | I | 32.6 | Very low | 37.2 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 67% | 0.667 | 69% | 0.688 | S | S | * | * | trans | -85.1 | 127.1 | -178.3 | -63.4 | 165.6 | 0 | 0 | 0 | 111.3 | K409 | I407-K409 PolarHBondContact O-N 2.83Å; I407-K409 VanDerWaalsContact O-N 3.09Å | ||
| 408 | N | 30.1 | Very low | 38.3 | Very low | 149 Ų | 149 | 128 Ų | 128 | 80% | 0.797 | 66% | 0.664 | S | S | * | * | trans | -73.5 | 95.9 | 172.1 | -164.1 | -15.5 | 0 | 0 | 0 | 111.7 | G410 | N408-G410 PolarHBondContact O-N 2.88Š| ||
| 409 | K | 43.1 | Very low | 39 | Very low | 155 Ų | 155 | 125.1 Ų | 125.1 | 67% | 0.674 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 29.4 | -177.2 | -69 | -175.7 | 177 | 174.7 | 0 | 116.2 | I407 | I407-K409 PolarHBondContact O-N 2.83Å; I407-K409 VanDerWaalsContact O-N 3.09Å |
| 410 | G | 31.4 | Very low | 40.3 | Very low | 69 Ų | 69 | 124 Ų | 124 | 71% | 0.711 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -23.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | N408 | N408-G410 PolarHBondContact O-N 2.88Š|
| 411 | G | 40.1 | Very low | 41.6 | Very low | 55 Ų | 55 | 122 Ų | 122 | 57% | 0.567 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -111.9 | -13.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 412 | D | 45.6 | Very low | 42.7 | Very low | 68 Ų | 68 | 117 Ų | 117 | 36% | 0.364 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -87.5 | -24.5 | -167.2 | -70.2 | -47.4 | 0 | 0 | 0 | 114.9 | K256 K414 | K256-D412 VanDerWaalsContact NZ-CA 3.27Å; K256-D412 PolarHBondContact NZ-O 2.9Å; K256-D412 IonicContact NZ-OD1 3.95Å; K256-D412 PolarHBondContact NZ-OD1 2.94Å; D412-K414 VanDerWaalsContact C-N 3.33Å; D412-K414 PolarHBondContact O-N 3.35Å |
| 413 | R | 52.9 | Low | 43.1 | Very low | 167 Ų | 167 | 114.7 Ų | 114.7 | 63% | 0.63 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.5 | -30.3 | -176 | -64.5 | -174.1 | -153.3 | 179.5 | 4.6 | 114.1 | V415 E416 E417 | R413-V415 PolarHBondContact O-N 2.87Å; R413-E416 PolarHBondContact O-N 3.49Å; R413-E417 WeakPolarHBondContact O-CB 3.49Å; R413-E417 PolarHBondContact O-N 2.98Å |
| 414 | K | 50.3 | Low | 43.3 | Very low | 140 Ų | 140 | 110.6 Ų | 110.6 | 61% | 0.609 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.6 | -35.7 | -171.2 | -166.2 | 174.1 | -178.3 | -176.2 | 0 | 113.5 | D412 E418 | D412-K414 VanDerWaalsContact C-N 3.33Å; D412-K414 PolarHBondContact O-N 3.35Å; K414-E418 WeakPolarHBondContact O-CB 3.25Å; K414-E418 WeakPolarHBondContact O-CG 3.48Å; K414-E418 PolarHBondContact O-N 3.25Å; K414-E418 VanDerWaalsContact O-N 3.12Å |
| 415 | V | 54.3 | Low | 43.6 | Very low | 16 Ų | 16 | 107.7 Ų | 107.7 | 10% | 0.097 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -75.2 | -43.5 | 175 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | L253 K256 R413 E417 E418 M419 | L253-V415 HydrophobicContact CD2-CG2 3.83Å; K256-V415 HydrophobicContact CD-CB 4.44Å; K256-V415 HydrophobicContact CD-CG2 4.04Å; R413-V415 PolarHBondContact O-N 2.87Å; V415-E417 VanDerWaalsContact C-N 3.27Å; V415-E417 PolarHBondContact O-N 3.35Å; V415-E418 PolarHBondContact O-N 2.96Å; V415-M419 HydrophobicContact CG1-CG 4.23Å; V415-M419 HydrophobicContact CG1-SD 3.78Å; V415-M419 VanDerWaalsContact O-CB 3.27Å; V415-M419 WeakPolarHBondContact O-CB 3.23Å; V415-M419 WeakPolarHBondContact O-CG 3.43Å; V415-M419 PolarHBondContact O-N 2.85Å |
| 416 | E | 53.3 | Low | 43.3 | Very low | 103 Ų | 103 | 110.2 Ų | 110.2 | 48% | 0.481 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.7 | -33.8 | 174.6 | -72.8 | 175.3 | -171.3 | 0 | 0 | 113.3 | R413 K420 | R413-E416 PolarHBondContact O-N 3.49Å; E416-K420 WeakPolarHBondContact O-CB 3.4Å; E416-K420 VanDerWaalsContact O-CG 3.25Å; E416-K420 WeakPolarHBondContact O-CG 3.36Å; E416-K420 PolarHBondContact O-N 3.49Å |
| 417 | E | 55.8 | Low | 43.3 | Very low | 122 Ų | 122 | 109.6 Ų | 109.6 | 57% | 0.57 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -78.8 | -38.4 | -179.4 | -167.4 | 174.2 | -167.6 | 0 | 0 | 112.2 | R413 V415 K420 K421 | R413-E417 WeakPolarHBondContact O-CB 3.49Å; R413-E417 PolarHBondContact O-N 2.98Å; V415-E417 VanDerWaalsContact C-N 3.27Å; V415-E417 PolarHBondContact O-N 3.35Å; E417-K420 PolarHBondContact O-N 3.48Å; E417-K421 PolarHBondContact O-N 3.3Å |
| 418 | E | 52.5 | Low | 43.1 | Very low | 74 Ų | 74 | 106 Ų | 106 | 35% | 0.346 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.5 | -35.6 | 168.6 | -75.3 | -69.6 | 130 | 0 | 0 | 111.4 | K414 V415 K421 H422 | K414-E418 WeakPolarHBondContact O-CB 3.25Å; K414-E418 WeakPolarHBondContact O-CG 3.48Å; K414-E418 PolarHBondContact O-N 3.25Å; K414-E418 VanDerWaalsContact O-N 3.12Å; V415-E418 PolarHBondContact O-N 2.96Å; E418-K421 PolarHBondContact O-N 2.78Å; E418-K421 IonicContact OE1-NZ 3.45Å; E418-K421 PolarHBondContact OE1-NZ 2.86Å; E418-H422 PolarHBondContact O-N 3.41Å; E418-H422 PolarHBondContact O-ND1 3.36Å; E418-H422 IonicContact OE2-CE1 2.71Å |
| 419 | M | 53.3 | Low | 42.8 | Very low | 48 Ų | 48 | 108.5 Ų | 108.5 | 24% | 0.236 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -64.2 | -37.7 | 171.2 | -71.5 | 171.2 | 80.5 | 0 | 0 | 112.1 | L260 Y261 V415 K421 H422 G423 | L260-M419 HydrophobicContact CD2-CE 3.51Å; L260-M419 HydrophobicContact CD2-SD 3.71Å; Y261-M419 HydrophobicContact CE2-CE 4.29Å; V415-M419 HydrophobicContact CG1-CG 4.23Å; V415-M419 HydrophobicContact CG1-SD 3.78Å; V415-M419 VanDerWaalsContact O-CB 3.27Å; V415-M419 WeakPolarHBondContact O-CB 3.23Å; V415-M419 WeakPolarHBondContact O-CG 3.43Å; V415-M419 PolarHBondContact O-N 2.85Å; M419-K421 VanDerWaalsContact C-N 3.3Å; M419-K421 PolarHBondContact O-N 3.14Å; M419-H422 PolarHBondContact O-N 3.5Å; M419-G423 PolarHBondContact O-N 3Å |
| 420 | K | 53.3 | Low | 42.3 | Very low | 161 Ų | 161 | 107.1 Ų | 107.1 | 70% | 0.7 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.8 | -26.5 | 174.9 | -80.5 | 172.1 | -176.7 | 179 | 0 | 113.6 | E416 E417 | E416-K420 WeakPolarHBondContact O-CB 3.4Å; E416-K420 VanDerWaalsContact O-CG 3.25Å; E416-K420 WeakPolarHBondContact O-CG 3.36Å; E416-K420 PolarHBondContact O-N 3.49Å; E417-K420 PolarHBondContact O-N 3.48Å |
| 421 | K | 54.4 | Low | 42.3 | Very low | 141 Ų | 141 | 112.3 Ų | 112.3 | 61% | 0.613 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.7 | -34.7 | 174.7 | -78.2 | -180 | -174.2 | 163.6 | 0 | 113.1 | E417 E418 M419 | E417-K421 PolarHBondContact O-N 3.3Å; E418-K421 PolarHBondContact O-N 2.78Å; E418-K421 IonicContact OE1-NZ 3.45Å; E418-K421 PolarHBondContact OE1-NZ 2.86Å; M419-K421 VanDerWaalsContact C-N 3.3Å; M419-K421 PolarHBondContact O-N 3.14Å |
| 422 | H | 47.1 | Very low | 41.8 | Very low | 69 Ų | 69 | 117.7 Ų | 117.7 | 32% | 0.319 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -90.1 | -23 | -177 | -61.6 | 84.8 | 0 | 0 | 0 | 112.6 | E418 M419 S424 | E418-H422 PolarHBondContact O-N 3.41Å; E418-H422 PolarHBondContact O-ND1 3.36Å; E418-H422 IonicContact OE2-CE1 2.71Å; M419-H422 PolarHBondContact O-N 3.5Å; H422-S424 VanDerWaalsContact C-N 3.29Å; H422-S424 PolarHBondContact O-N 2.92Å |
| 423 | G | 35.5 | Very low | 41.2 | Very low | 54 Ų | 54 | 121.9 Ų | 121.9 | 56% | 0.557 | 63% | 0.627 | S | S | * | * | trans | -74.6 | 8.5 | 180 | 0 | 0 | 0 | 0 | 0 | 117.8 | M419 T425 | M419-G423 PolarHBondContact O-N 3Å; G423-T425 PolarHBondContact O-N 2.81Å | ||
| 424 | S | 32 | Very low | 40.4 | Very low | 109 Ų | 109 | 120 Ų | 120 | 76% | 0.762 | 64% | 0.636 | S | S | * | * | trans | -85.3 | 54.7 | 177.6 | -153.1 | 0 | 0 | 0 | 0 | 112.5 | H422 | H422-S424 VanDerWaalsContact C-N 3.29Å; H422-S424 PolarHBondContact O-N 2.92Å | ||
| 425 | T | 35.8 | Very low | 39.6 | Very low | 123 Ų | 123 | 121 Ų | 121 | 76% | 0.755 | 65% | 0.648 | S | S | * | * | trans | -150.4 | 82.5 | 160.1 | 18.6 | 0 | 0 | 0 | 0 | 108.1 | G423 M427 | G423-T425 PolarHBondContact O-N 2.81Å; T425-M427 PolarHBondContact O-N 2.68Å | ||
| 426 | H | 27.5 | Very low | 38.3 | Very low | 175 Ų | 175 | 124 Ų | 124 | 81% | 0.81 | 68% | 0.683 | S | S | * | * | trans | -70.3 | 102.9 | 178.2 | -165.3 | -65.9 | 0 | 0 | 0 | 110 | ||||
| 427 | M | 28.8 | Very low | 37.2 | Very low | 173 Ų | 173 | 123.7 Ų | 123.7 | 85% | 0.852 | 70% | 0.697 | S | S | * | * | trans | -103.7 | 103.8 | 159.5 | -72.3 | -67.9 | -94.3 | 0 | 0 | 107 | T425 | T425-M427 PolarHBondContact O-N 2.68Š| ||
| 428 | G | 27.4 | Very low | 35.9 | Very low | 56 Ų | 56 | 125.1 Ų | 125.1 | 58% | 0.577 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 134.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 429 | F | 24.7 | Very low | 34.8 | Very low | 200 Ų | 200 | 126 Ų | 126 | 88% | 0.877 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 137.1 | 157.8 | -73.6 | -88.3 | 0 | 0 | 0 | 108.4 | ||
| 430 | P | 31.8 | Very low | 33.5 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 120.3 | 162.2 | 31.3 | -23.3 | 0 | 0 | 0 | 109.2 | ||
| 431 | E | 31.4 | Very low | 32.5 | Very low | 179 Ų | 179 | 129 Ų | 129 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 134.1 | 155.5 | -75.2 | -178.7 | 157.8 | 0 | 0 | 108.7 | ||
| 432 | N | 29.3 | Very low | 31.3 | Very low | 167 Ų | 167 | 126.1 Ų | 126.1 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -173.8 | 114.7 | 135.9 | -88.4 | -29.5 | 0 | 0 | 0 | 110.1 | ||||
| 433 | L | 32.7 | Very low | 30.4 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -73.7 | 156.6 | 159.6 | -83.8 | 160.4 | 0 | 0 | 0 | 109.2 | ||||
| 434 | P | 37.6 | Very low | 30.2 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | -146.7 | 163.3 | 84.9 | 33.2 | -12.4 | 0 | 0 | 0 | 116.6 | |||||
| 435 | N | 33.3 | Very low | 30.1 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -60.3 | 149 | 172.5 | -73.2 | -31.7 | 0 | 0 | 0 | 113.7 | ||||
| 436 | G | 26.2 | Very low | 29.7 | Very low | 81 Ų | 81 | 135.7 Ų | 135.7 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | 177.6 | 110.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 437 | A | 30 | Very low | 29.8 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -81.8 | 141.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 438 | T | 28.7 | Very low | 30.4 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | trans | 178 | 160.8 | 135.5 | 24.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 439 | A | 30 | Very low | 31.2 | Very low | 92 Ų | 92 | 134.1 Ų | 134.1 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | trans | -74.6 | 166.4 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 440 | D | 26.8 | Very low | 31.2 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | 115.8 | 125.4 | 125.8 | -141.2 | 38.5 | 0 | 0 | 0 | 118.6 | |||||
| 441 | N | 31.8 | Very low | 30.9 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | 45.4 | 121.3 | 147.9 | -67.7 | -29.5 | 0 | 0 | 0 | 122.7 | ||||
| 442 | G | 28.4 | Very low | 30.7 | Very low | 79 Ų | 79 | 132.5 Ų | 132.5 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | 97.4 | 121.6 | 111.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 443 | D | 29.3 | Very low | 30.6 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | 128.5 | 150.3 | 126 | -148.4 | 13.5 | 0 | 0 | 0 | 116.7 | |||||
| 444 | D | 31.1 | Very low | 30.3 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | -78.1 | 167 | -150.7 | -74.6 | -46.1 | 0 | 0 | 0 | 116.9 | ||||
| 445 | G | 28.7 | Very low | 30.2 | Very low | 65 Ų | 65 | 135 Ų | 135 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | 137.3 | 94.1 | 130.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 446 | L | 28.9 | Very low | 29.8 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | trans | 72.4 | 144.9 | 130.1 | -59.5 | 173 | 0 | 0 | 0 | 122 | ||||
| 447 | I | 27.8 | Very low | 29.8 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | -101.2 | -169.6 | -161.7 | -31.8 | 177.4 | 0 | 0 | 0 | 112.1 | ||||
| 448 | P | 42.5 | Very low | 29.8 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | -111.2 | -136.3 | -121.9 | 44.5 | -21.6 | 0 | 0 | 0 | 111.3 | |||||
| 449 | P | 43.3 | Very low | 29.8 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | cis | -134.4 | -167.8 | -23.9 | 34.9 | -13.6 | 0 | 0 | 0 | 114 | ||||
| 450 | R | 25.1 | Very low | 29.6 | Very low | 211 Ų | 211 | 147.6 Ų | 147.6 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | 123.6 | 143.3 | 155.4 | -72.7 | 172 | 171.4 | -171.4 | 0.5 | 112.3 | ||||
| 451 | K | 26.8 | Very low | 29.9 | Very low | 160 Ų | 160 | 147 Ų | 147 | 70% | 0.696 | 80% | 0.795 | S | S | * | * | cis | -166.6 | 142.2 | 15.5 | -118.6 | 162.2 | -175.5 | -174.6 | 0 | 109.1 | ||||
| 452 | S | 25.2 | Very low | 29.6 | Very low | 100 Ų | 100 | 147.1 Ų | 147.1 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | 14.3 | 131.3 | 139.8 | 59.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 453 | R | 28 | Very low | 29.7 | Very low | 249 Ų | 249 | 149.8 Ų | 149.8 | 94% | 0.94 | 80% | 0.796 | S | S | * | * | trans | -167.8 | 105.5 | 131.8 | -104.9 | 169.1 | -171.9 | -175.9 | 2.1 | 112 | ||||
| 454 | T | 27.2 | Very low | 29.8 | Very low | 137 Ų | 137 | 151 Ų | 151 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | trans | -113.9 | 150.1 | 137.5 | 42.4 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 455 | P | 35.1 | Very low | 29.6 | Very low | 115 Ų | 115 | 151.6 Ų | 151.6 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | -154 | 178.4 | 84.1 | 37.9 | -16.4 | 0 | 0 | 0 | 116.1 | |||||
| 456 | E | 25.3 | Very low | 29.8 | Very low | 177 Ų | 177 | 156.6 Ų | 156.6 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | 129.4 | 92.8 | 153.9 | -73.2 | -178.8 | 179 | 0 | 0 | 111.1 | ||||
| 457 | S | 26.3 | Very low | 29.7 | Very low | 105 Ų | 105 | 154.9 Ų | 154.9 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | 65.8 | 98.6 | 71.1 | 75.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 458 | Q | 29.2 | Very low | 29.6 | Very low | 200 Ų | 200 | 158.8 Ų | 158.8 | 94% | 0.935 | 80% | 0.8 | S | S | * | * | trans | -136 | 128.6 | 144 | -75.3 | -167.5 | -16.9 | 0 | 0 | 109.4 | ||||
| 459 | Q | 28.1 | Very low | 29.1 | Very low | 190 Ų | 190 | 160.2 Ų | 160.2 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -79.8 | 161.9 | -172.3 | -83.3 | 159.1 | -51.6 | 0 | 0 | 113.5 | ||||
| 460 | F | 27.1 | Very low | 28.6 | Very low | 175 Ų | 175 | 164.5 Ų | 164.5 | 77% | 0.768 | 80% | 0.799 | S | S | * | * | trans | -54 | 174.9 | 175.3 | -65.8 | -93.1 | 0 | 0 | 0 | 115.6 | ||||
| 461 | P | 31.7 | Very low | 29 | Very low | 121 Ų | 121 | 159.9 Ų | 159.9 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | -132.8 | 142.2 | 104.1 | 34.4 | -23.6 | 0 | 0 | 0 | 114.7 | |||||
| 462 | D | 27.3 | Very low | 29.3 | Very low | 142 Ų | 142 | 159.9 Ų | 159.9 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -73.8 | 138.2 | 159.9 | -66.8 | -52.5 | 0 | 0 | 0 | 109.9 | ||||
| 463 | T | 30.1 | Very low | 29.6 | Very low | 136 Ų | 136 | 160.6 Ų | 160.6 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -142.9 | 116.5 | 152.7 | 42.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 464 | E | 30.2 | Very low | 29.6 | Very low | 183 Ų | 183 | 151.6 Ų | 151.6 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -53.3 | 145.7 | 159.7 | -64.8 | 172.6 | 144.9 | 0 | 0 | 110.4 | ||||
| 465 | N | 28.5 | Very low | 30.1 | Very low | 169 Ų | 169 | 153.1 Ų | 153.1 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | trans | -157.6 | 118.1 | 141 | -98.5 | -23.7 | 0 | 0 | 0 | 110 | ||||
| 466 | E | 31.8 | Very low | 30.9 | Very low | 169 Ų | 169 | 152.4 Ų | 152.4 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -64 | 152.2 | 166.8 | -73.8 | -168.8 | 134.4 | 0 | 0 | 112 | ||||
| 467 | Q | 26.2 | Very low | 31.2 | Very low | 143 Ų | 143 | 151.6 Ų | 151.6 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | trans | 68.7 | 106.3 | 134.4 | -162.2 | 161.9 | 57.1 | 0 | 0 | 119.2 | ||||
| 468 | Y | 26.7 | Very low | 31.5 | Very low | 239 Ų | 239 | 156.2 Ų | 156.2 | 94% | 0.937 | 78% | 0.781 | S | S | * | * | trans | -132.3 | 109.6 | 135.3 | -101.8 | -85.4 | 0 | 0 | 0 | 110.2 | ||||
| 469 | H | 31.7 | Very low | 32.4 | Very low | 141 Ų | 141 | 152.3 Ų | 152.3 | 65% | 0.653 | 77% | 0.773 | S | S | * | * | trans | -84.5 | 158.6 | 162.8 | -109.3 | -68.8 | 0 | 0 | 0 | 109.5 | ||||
| 470 | R | 33.8 | Very low | 32.8 | Very low | 192 Ų | 192 | 149.2 Ų | 149.2 | 73% | 0.725 | 77% | 0.767 | S | S | * | * | trans | 82.8 | 145.6 | 142.2 | -92.6 | -166.4 | -110 | -177.6 | -2.9 | 116.5 | F472 | R470-F472 HydrophobicContact CG-CD2 4.29Å; R470-F472 HydrophobicContact CG-CE2 4.22Å | ||
| 471 | D | 32.4 | Very low | 33.5 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | cis | -160 | 136.9 | 34.8 | -105.9 | -30.4 | 0 | 0 | 0 | 111 | ||||
| 472 | F | 33.2 | Very low | 33.8 | Very low | 160 Ų | 160 | 149.5 Ų | 149.5 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | 71.6 | 135.2 | 97.6 | -86.2 | -112.4 | 0 | 0 | 0 | 114.7 | R470 | R470-F472 HydrophobicContact CG-CD2 4.29Å; R470-F472 HydrophobicContact CG-CE2 4.22Å | |||
| 473 | S | 31.7 | Very low | 35.3 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | 179 | 166.2 | 55 | 43.5 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 474 | G | 28.6 | Very low | 36.1 | Very low | 60 Ų | 60 | 149.5 Ų | 149.5 | 62% | 0.619 | 78% | 0.775 | S | S | * | * | cis | -176.1 | 146.7 | 7.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 475 | H | 36.3 | Very low | 37 | Very low | 170 Ų | 170 | 150.2 Ų | 150.2 | 79% | 0.787 | 78% | 0.775 | S | S | * | * | 98.5 | 161.7 | 85.9 | -92.3 | -32.3 | 0 | 0 | 0 | 112.8 | |||||
| 476 | P | 51.9 | Low | 38 | Very low | 99 Ų | 99 | 154.3 Ų | 154.3 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | -137.2 | -174.8 | -65.6 | 33.5 | -11.7 | 0 | 0 | 0 | 111.8 | |||||
| 477 | N | 32.8 | Very low | 38.4 | Very low | 160 Ų | 160 | 153.6 Ų | 153.6 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -177.7 | 129.3 | 133.7 | -91.3 | -21.9 | 0 | 0 | 0 | 112.6 | ||||
| 478 | F | 32 | Very low | 39 | Very low | 203 Ų | 203 | 154.1 Ų | 154.1 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | -116 | 164.7 | 162 | -93.2 | -79.9 | 0 | 0 | 0 | 108.1 | ||||
| 479 | P | 49.1 | Very low | 39.7 | Very low | 118 Ų | 118 | 149.4 Ų | 149.4 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | -141.7 | 143.2 | 110 | 29.3 | -10.7 | 0 | 0 | 0 | 116.3 | |||||
| 480 | T | 36.6 | Very low | 40.2 | Very low | 124 Ų | 124 | 149.9 Ų | 149.9 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | trans | -0.1 | 139.7 | 141.6 | 10.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 481 | T | 41.3 | Very low | 40.6 | Very low | 141 Ų | 141 | 147.3 Ų | 147.3 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | -174.1 | 130.5 | 115.4 | 23.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 482 | L | 38.1 | Very low | 41.1 | Very low | 162 Ų | 162 | 149.4 Ų | 149.4 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | trans | -111.9 | 163.5 | 159.1 | -83.2 | 169.3 | 0 | 0 | 0 | 107.7 | ||||
| 483 | P | 59.1 | Low | 41.7 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | -136 | 158.3 | 129.1 | 34.5 | -20.7 | 0 | 0 | 0 | 115 | |||||
| 484 | I | 47.3 | Very low | 42.4 | Very low | 150 Ų | 150 | 151.3 Ų | 151.3 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | trans | -85 | 152.8 | -180 | -65.4 | 156.4 | 0 | 0 | 0 | 111.2 | ||||
| 485 | K | 48.8 | Very low | 43.6 | Very low | 199 Ų | 199 | 158.9 Ų | 158.9 | 87% | 0.865 | 84% | 0.839 | S | S | * | * | trans | -168.6 | 135.9 | 134.9 | -100.7 | 174.3 | -175 | -176.8 | 0 | 107 | ||||
| 486 | Q | 49.8 | Very low | 44.3 | Very low | 254 Ų | 254 | 157.9 Ų | 157.9 | 100% | 1.187 | 84% | 0.843 | S | S | * | * | cis | -122.3 | 0 | 24.1 | -75.4 | 174.3 | -23 | 0 | 0 | 113.4 |
Retrieved 486 of 486 residues in 77.6 ms
(Link to these results)