| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.7 | Very low | 32.2 | Very low | 249 Ų | 249 | 165.9 Ų | 165.9 | 100% | 1.227 | 87% | 0.87 | S | S | * | * | 0 | 147.5 | 0 | -82.6 | 178.1 | 160.7 | 0 | 0 | 108.6 | |||||
| 2 | G | 30.8 | Very low | 32.1 | Very low | 80 Ų | 80 | 167.1 Ų | 167.1 | 83% | 0.825 | 87% | 0.871 | S | S | * | * | trans | 80.9 | 144.2 | -167 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 3 | G | 27.6 | Very low | 32.4 | Very low | 66 Ų | 66 | 167.8 Ų | 167.8 | 68% | 0.68 | 88% | 0.875 | S | S | * | * | cis | 166.5 | 60.4 | -3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R5 | G3-R5 PolarHBondContact O-N 3.35Š| ||
| 4 | W | 28.2 | Very low | 32.5 | Very low | 252 Ų | 252 | 164.1 Ų | 164.1 | 96% | 0.955 | 87% | 0.871 | S | S | * | * | trans | -73.2 | 84.3 | -173.3 | -69.2 | 87.1 | 0 | 0 | 0 | 112.9 | I6 | W4-I6 PolarHBondContact O-N 3.09Š| ||
| 5 | R | 28.6 | Very low | 32.3 | Very low | 240 Ų | 240 | 163.9 Ų | 163.9 | 91% | 0.906 | 87% | 0.869 | S | S | * | * | trans | -85.2 | 99.5 | 161.2 | -84.4 | -171.6 | 167.5 | -144.3 | -2.6 | 109.9 | G3 | G3-R5 PolarHBondContact O-N 3.35Š| ||
| 6 | I | 31.7 | Very low | 32.5 | Very low | 152 Ų | 152 | 164.1 Ų | 164.1 | 78% | 0.779 | 87% | 0.868 | S | S | * | * | trans | -72.7 | 134.6 | 165.3 | -61.3 | 177.4 | 0 | 0 | 0 | 108.3 | W4 | W4-I6 PolarHBondContact O-N 3.09Š| ||
| 7 | R | 29.8 | Very low | 32.5 | Very low | 234 Ų | 234 | 163.5 Ų | 163.5 | 88% | 0.883 | 86% | 0.859 | S | S | * | * | trans | -119 | 117.5 | -175.8 | -163.5 | -178.6 | -162.1 | 175.6 | 4.7 | 107.8 | G9 | R7-G9 PolarHBondContact O-N 3.02Š| ||
| 8 | L | 33.7 | Very low | 32.4 | Very low | 174 Ų | 174 | 163.7 Ų | 163.7 | 91% | 0.911 | 86% | 0.859 | S | S | * | * | trans | -60.4 | 135.5 | 174.6 | -83.4 | 75.8 | 0 | 0 | 0 | 109.6 | ||||
| 9 | G | 29.1 | Very low | 32.6 | Very low | 67 Ų | 67 | 166.5 Ų | 166.5 | 69% | 0.691 | 86% | 0.857 | S | S | * | * | trans | -155 | 106.6 | -178 | 0 | 0 | 0 | 0 | 0 | 110.6 | R7 H11 | R7-G9 PolarHBondContact O-N 3.02Å; G9-H11 PolarHBondContact O-N 3.38Å | ||
| 10 | S | 38.6 | Very low | 32.4 | Very low | 115 Ų | 115 | 162 Ų | 162 | 80% | 0.804 | 85% | 0.853 | S | S | * | * | trans | -59 | 123.4 | -174.7 | -178.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 11 | H | 31.2 | Very low | 32.8 | Very low | 196 Ų | 196 | 161.1 Ų | 161.1 | 91% | 0.907 | 85% | 0.854 | S | S | * | * | trans | -153.6 | 69.4 | 161.4 | -91.2 | -65.9 | 0 | 0 | 0 | 111.2 | G9 | G9-H11 PolarHBondContact O-N 3.38Š| ||
| 12 | M | 31.8 | Very low | 32.4 | Very low | 180 Ų | 180 | 158.2 Ų | 158.2 | 89% | 0.887 | 84% | 0.838 | S | S | * | * | trans | -128.1 | 59.9 | 173.2 | -164.8 | -173 | 169.2 | 0 | 0 | 111.7 | ||||
| 13 | L | 35.5 | Very low | 33.1 | Very low | 176 Ų | 176 | 165.9 Ų | 165.9 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -165.3 | 51.9 | 172 | -117.7 | 166.1 | 0 | 0 | 0 | 114.1 | ||
| 14 | S | 33.6 | Very low | 33.7 | Very low | 116 Ų | 116 | 168.1 Ų | 168.1 | 81% | 0.811 | 84% | 0.844 | S | S | * | * | trans | -162.9 | 111.3 | 160.9 | -160.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 15 | L | 29.1 | Very low | 34.1 | Very low | 161 Ų | 161 | 163.4 Ų | 163.4 | 84% | 0.843 | 84% | 0.838 | S | S | * | * | trans | 175.6 | 67.2 | 149.9 | -100.2 | 164.1 | 0 | 0 | 0 | 110.5 | ||||
| 16 | I | 35.7 | Very low | 34.7 | Very low | 168 Ų | 168 | 160 Ų | 160 | 86% | 0.862 | 83% | 0.832 | S | S | * | * | trans | -124.5 | 80.4 | 165.2 | -57.6 | 177.1 | 0 | 0 | 0 | 108 | ||||
| 17 | E | 32.8 | Very low | 35.2 | Very low | 153 Ų | 153 | 160.4 Ų | 160.4 | 72% | 0.715 | 84% | 0.835 | S | S | * | * | trans | 177.5 | 112.5 | 147 | -105.2 | -159.5 | 116.3 | 0 | 0 | 110.4 | ||||
| 18 | I | 30.7 | Very low | 35.7 | Very low | 167 Ų | 167 | 156.5 Ų | 156.5 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | trans | -137.3 | 129.6 | 141.2 | -66.7 | -170.5 | 0 | 0 | 0 | 106.9 | ||||
| 19 | R | 36.3 | Very low | 36.1 | Very low | 217 Ų | 217 | 156.4 Ų | 156.4 | 82% | 0.819 | 82% | 0.819 | S | S | * | * | trans | -82.7 | 139.2 | 173 | -77.8 | 171.8 | 156.1 | 139.8 | -10.1 | 110.7 | ||||
| 20 | G | 27.8 | Very low | 36.7 | Very low | 76 Ų | 76 | 159.2 Ų | 159.2 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | -139.7 | 120.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 21 | V | 42 | Very low | 36.9 | Very low | 144 Ų | 144 | 157.1 Ų | 157.1 | 87% | 0.873 | 80% | 0.803 | S | S | * | * | trans | -104.8 | 99.7 | 178.3 | 176.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 22 | E | 35.7 | Very low | 37.4 | Very low | 188 Ų | 188 | 150 Ų | 150 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | -128.8 | 148.3 | 166.1 | -66.9 | -161.8 | 124.3 | 0 | 0 | 110.3 | P24 | E22-P24 WeakPolarHBondContact O-CD 3.44Š| ||
| 23 | R | 46.1 | Very low | 38.1 | Very low | 242 Ų | 242 | 142.4 Ų | 142.4 | 91% | 0.913 | 75% | 0.747 | S | S | * | * | trans | -90.8 | 115.3 | 179.2 | -75.9 | -176.2 | -82.1 | -158 | -5.6 | 109.1 | ||||
| 24 | P | 39.2 | Very low | 38.5 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | -71.1 | 136.7 | 170.4 | 29.8 | -32.8 | 0 | 0 | 0 | 109.9 | E22 | E22-P24 WeakPolarHBondContact O-CD 3.44Š| ||
| 25 | N | 36.4 | Very low | 39.2 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | trans | -66.7 | 162.8 | 168.6 | -130.7 | -4.1 | 0 | 0 | 0 | 110.2 | D27 | N25-D27 PolarHBondContact O-N 3.39Š| ||
| 26 | H | 42.9 | Very low | 40.2 | Very low | 169 Ų | 169 | 130.4 Ų | 130.4 | 78% | 0.782 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 103.8 | 166.6 | -108.3 | -109.3 | 0 | 0 | 0 | 109.2 | ||
| 27 | D | 41.6 | Very low | 40.7 | Very low | 160 Ų | 160 | 123.5 Ų | 123.5 | 86% | 0.856 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -178.4 | -25.1 | 156.4 | -93.4 | -26.2 | 0 | 0 | 0 | 112.6 | N25 K29 | N25-D27 PolarHBondContact O-N 3.39Å; D27-K29 VanDerWaalsContact C-N 3.29Å; D27-K29 PolarHBondContact O-N 3.44Å |
| 28 | H | 40.8 | Very low | 41.4 | Very low | 152 Ų | 152 | 121.4 Ų | 121.4 | 70% | 0.704 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 16.4 | -163.6 | -121.2 | -65.9 | 0 | 0 | 0 | 118.2 | ||
| 29 | K | 40.6 | Very low | 42.5 | Very low | 172 Ų | 172 | 121.2 Ų | 121.2 | 75% | 0.748 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69 | -37.9 | -167.6 | -80.3 | -171.2 | 174.4 | -177 | 0 | 115.3 | D27 C31 | D27-K29 VanDerWaalsContact C-N 3.29Å; D27-K29 PolarHBondContact O-N 3.44Å; K29-C31 VanDerWaalsContact C-N 3.35Å; K29-C31 PolarHBondContact O-N 3.21Å |
| 30 | D | 43.1 | Very low | 43.2 | Very low | 127 Ų | 127 | 112.2 Ų | 112.2 | 68% | 0.679 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.3 | -31.5 | -171 | -66.7 | -19.2 | 0 | 0 | 0 | 113.4 | G32 S33 N34 | D30-G32 VanDerWaalsContact C-N 3.33Å; D30-G32 PolarHBondContact O-N 3.08Å; D30-S33 WeakPolarHBondContact O-CB 3.49Å; D30-S33 PolarHBondContact O-N 3.35Å; D30-S33 VanDerWaalsContact O-N 3.08Å; D30-N34 PolarHBondContact O-N 3.38Å |
| 31 | C | 41.8 | Very low | 44.2 | Very low | 71 Ų | 71 | 111.1 Ų | 111.1 | 48% | 0.48 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.9 | -39.7 | -177.5 | -168.2 | 0 | 0 | 0 | 0 | 112.3 | K29 S33 M35 | K29-C31 VanDerWaalsContact C-N 3.35Å; K29-C31 PolarHBondContact O-N 3.21Å; C31-S33 VanDerWaalsContact C-N 3.32Å; C31-S33 PolarHBondContact O-N 3.4Å; C31-M35 WeakPolarHBondContact O-CG 3.35Å; C31-M35 PolarHBondContact O-N 3.47Å |
| 32 | G | 41.7 | Very low | 44.5 | Very low | 47 Ų | 47 | 107.5 Ų | 107.5 | 49% | 0.485 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.9 | -26.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D30 G36 | D30-G32 VanDerWaalsContact C-N 3.33Å; D30-G32 PolarHBondContact O-N 3.08Å; G32-G36 PolarHBondContact O-N 3.47Å |
| 33 | S | 47.5 | Very low | 45.4 | Very low | 19 Ų | 19 | 104.2 Ų | 104.2 | 13% | 0.133 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -68.1 | -49.2 | 177.2 | -174.3 | 0 | 0 | 0 | 0 | 111.1 | D30 C31 M35 G36 C37 | D30-S33 WeakPolarHBondContact O-CB 3.49Å; D30-S33 PolarHBondContact O-N 3.35Å; D30-S33 VanDerWaalsContact O-N 3.08Å; C31-S33 VanDerWaalsContact C-N 3.32Å; C31-S33 PolarHBondContact O-N 3.4Å; S33-M35 VanDerWaalsContact C-N 3.31Å; S33-M35 PolarHBondContact O-N 2.96Å; S33-G36 PolarHBondContact O-N 3.14Å; S33-C37 PolarHBondContact O-N 2.84Å |
| 34 | N | 43.8 | Very low | 45.5 | Very low | 73 Ų | 73 | 94.3 Ų | 94.3 | 39% | 0.39 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | -178.9 | -68.5 | 2.8 | 0 | 0 | 0 | 112 | D30 G36 C37 L38 | D30-N34 PolarHBondContact O-N 3.38Å; N34-G36 PolarHBondContact O-N 2.89Å; N34-C37 PolarHBondContact O-N 2.97Å; N34-L38 VanDerWaalsContact O-CB 3.22Å; N34-L38 WeakPolarHBondContact O-CB 3.33Å; N34-L38 PolarHBondContact O-N 2.91Å |
| 35 | M | 48.5 | Very low | 46.2 | Very low | 96 Ų | 96 | 92.2 Ų | 92.2 | 47% | 0.473 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -26.3 | 173.4 | -72.1 | 172 | 60.2 | 0 | 0 | 113.4 | C31 S33 R39 | C31-M35 WeakPolarHBondContact O-CG 3.35Å; C31-M35 PolarHBondContact O-N 3.47Å; S33-M35 VanDerWaalsContact C-N 3.31Å; S33-M35 PolarHBondContact O-N 2.96Å; M35-R39 WeakPolarHBondContact O-CB 3.34Å; M35-R39 WeakPolarHBondContact O-CD 3.15Å; M35-R39 WeakPolarHBondContact O-CG 3.5Å; M35-R39 PolarHBondContact O-N 3.5Å |
| 36 | G | 48.4 | Very low | 46.8 | Very low | 33 Ų | 33 | 87.6 Ų | 87.6 | 34% | 0.34 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.5 | -53.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | G32 S33 N34 R39 L40 | G32-G36 PolarHBondContact O-N 3.47Å; S33-G36 PolarHBondContact O-N 3.14Å; N34-G36 PolarHBondContact O-N 2.89Å; G36-R39 PolarHBondContact O-N 3.08Å; G36-L40 PolarHBondContact O-N 3.38Å; G36-L40 VanDerWaalsContact O-N 3.17Å |
| 37 | C | 47.2 | Very low | 47.2 | Very low | 23 Ų | 23 | 81.5 Ų | 81.5 | 16% | 0.155 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 177.7 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | S33 N34 R39 L40 L41 | S33-C37 PolarHBondContact O-N 2.84Å; N34-C37 PolarHBondContact O-N 2.97Å; C37-R39 VanDerWaalsContact C-N 3.32Å; C37-R39 PolarHBondContact O-N 2.83Å; C37-L40 PolarHBondContact O-N 3Å; C37-L41 PolarHBondContact O-N 3.19Å |
| 38 | L | 48.1 | Very low | 47.3 | Very low | 108 Ų | 108 | 75.3 Ų | 75.3 | 57% | 0.565 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60 | -41 | 177.8 | -174.6 | 65 | 0 | 0 | 0 | 111.7 | N34 L41 T42 | N34-L38 VanDerWaalsContact O-CB 3.22Å; N34-L38 WeakPolarHBondContact O-CB 3.33Å; N34-L38 PolarHBondContact O-N 2.91Å; L38-L41 PolarHBondContact O-N 2.91Å; L38-T42 WeakPolarHBondContact O-CG2 3.22Å; L38-T42 PolarHBondContact O-N 3.27Å; L38-T42 PolarHBondContact O-OG1 2.99Å; L38-T42 VanDerWaalsContact O-OG1 3.08Å |
| 39 | R | 53.5 | Low | 47.6 | Very low | 163 Ų | 163 | 70.1 Ų | 70.1 | 62% | 0.615 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.3 | -44.4 | 175.8 | -81.8 | 172.1 | -179.1 | -166.7 | -0.5 | 112.6 | M35 G36 C37 T42 L43 | M35-R39 WeakPolarHBondContact O-CB 3.34Å; M35-R39 WeakPolarHBondContact O-CD 3.15Å; M35-R39 WeakPolarHBondContact O-CG 3.5Å; M35-R39 PolarHBondContact O-N 3.5Å; G36-R39 PolarHBondContact O-N 3.08Å; C37-R39 VanDerWaalsContact C-N 3.32Å; C37-R39 PolarHBondContact O-N 2.83Å; R39-T42 WeakPolarHBondContact CA-OG1 3.38Å; R39-T42 PolarHBondContact O-N 3.17Å; R39-T42 PolarHBondContact O-OG1 3.38Å; R39-L43 WeakPolarHBondContact O-CG 3.42Å; R39-L43 PolarHBondContact O-N 3.22Å |
| 40 | L | 50.3 | Low | 48 | Very low | 28 Ų | 28 | 64.3 Ų | 64.3 | 15% | 0.147 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 176.4 | -171.3 | 75.3 | 0 | 0 | 0 | 110.6 | G36 C37 T42 L43 T44 I199 L211 | G36-L40 PolarHBondContact O-N 3.38Å; G36-L40 VanDerWaalsContact O-N 3.17Å; C37-L40 PolarHBondContact O-N 3Å; L40-T42 VanDerWaalsContact C-N 3.33Å; L40-T42 PolarHBondContact O-N 3.34Å; L40-L43 WeakPolarHBondContact O-CB 3.44Å; L40-L43 PolarHBondContact O-N 3.4Å; L40-T44 PolarHBondContact O-N 3.39Å; L40-T44 PolarHBondContact O-OG1 3.38Å; L40-I199 HydrophobicContact CD2-CG2 3.96Å; L40-L211 HydrophobicContact CD2-CD1 4.08Å |
| 41 | L | 48.3 | Very low | 48.4 | Very low | 53 Ų | 53 | 61.4 Ų | 61.4 | 28% | 0.277 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.6 | -45.4 | 176.6 | -147.4 | 86.3 | 0 | 0 | 0 | 111.2 | C37 L38 L43 T44 L45 | C37-L41 PolarHBondContact O-N 3.19Å; L38-L41 PolarHBondContact O-N 2.91Å; L41-L43 VanDerWaalsContact C-N 3.27Å; L41-L43 PolarHBondContact O-N 3.31Å; L41-T44 PolarHBondContact O-N 2.72Å; L41-L45 HydrophobicContact CD2-CD1 4.4Å; L41-L45 HydrophobicContact CG-CD1 4.44Å; L41-L45 VanDerWaalsContact O-CB 3.3Å; L41-L45 WeakPolarHBondContact O-CB 3.38Å; L41-L45 WeakPolarHBondContact O-CD1 3.37Å; L41-L45 VanDerWaalsContact O-CG 3.26Å; L41-L45 WeakPolarHBondContact O-CG 3.32Å; L41-L45 PolarHBondContact O-N 2.86Å |
| 42 | T | 49.4 | Very low | 48.6 | Very low | 68 Ų | 68 | 61.1 Ų | 61.1 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.5 | -24.3 | 176.3 | 54.2 | 0 | 0 | 0 | 0 | 114 | L38 R39 L40 A46 | L38-T42 WeakPolarHBondContact O-CG2 3.22Å; L38-T42 PolarHBondContact O-N 3.27Å; L38-T42 PolarHBondContact O-OG1 2.99Å; L38-T42 VanDerWaalsContact O-OG1 3.08Å; R39-T42 WeakPolarHBondContact CA-OG1 3.38Å; R39-T42 PolarHBondContact O-N 3.17Å; R39-T42 PolarHBondContact O-OG1 3.38Å; L40-T42 VanDerWaalsContact C-N 3.33Å; L40-T42 PolarHBondContact O-N 3.34Å; T42-A46 WeakPolarHBondContact O-CB 3.19Å; T42-A46 PolarHBondContact O-N 3.31Å |
| 43 | L | 54.3 | Low | 48.8 | Very low | 120 Ų | 120 | 64 Ų | 64 | 63% | 0.628 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -78.4 | -41.1 | 175 | -75.7 | 166.6 | 0 | 0 | 0 | 111.4 | R39 L40 L41 A46 A47 | R39-L43 WeakPolarHBondContact O-CG 3.42Å; R39-L43 PolarHBondContact O-N 3.22Å; L40-L43 WeakPolarHBondContact O-CB 3.44Å; L40-L43 PolarHBondContact O-N 3.4Å; L41-L43 VanDerWaalsContact C-N 3.27Å; L41-L43 PolarHBondContact O-N 3.31Å; L43-A46 PolarHBondContact O-N 3.35Å; L43-A47 PolarHBondContact O-N 3Å |
| 44 | T | 47.6 | Very low | 48.8 | Very low | 33 Ų | 33 | 67.2 Ų | 67.2 | 20% | 0.202 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 170.8 | -50 | 0 | 0 | 0 | 0 | 110.5 | L40 L41 A46 A47 S48 I395 | L40-T44 PolarHBondContact O-N 3.39Å; L40-T44 PolarHBondContact O-OG1 3.38Å; L41-T44 PolarHBondContact O-N 2.72Å; T44-A46 VanDerWaalsContact C-N 3.33Å; T44-A46 PolarHBondContact O-N 3.02Å; T44-A47 WeakPolarHBondContact O-CB 3.05Å; T44-A47 PolarHBondContact O-N 3.12Å; T44-A47 VanDerWaalsContact O-N 3.09Å; T44-S48 PolarHBondContact O-N 3.26Å; T44-S48 PolarHBondContact O-OG 2.89Å; T44-I395 HydrophobicContact CG2-CD1 4.12Å |
| 45 | L | 53.3 | Low | 48.9 | Very low | 69 Ų | 69 | 64.5 Ų | 64.5 | 36% | 0.361 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -54.3 | -45.4 | 173.4 | -78.7 | 163.6 | 0 | 0 | 0 | 112.4 | L41 A47 A49 F482 | L41-L45 HydrophobicContact CD2-CD1 4.4Å; L41-L45 HydrophobicContact CG-CD1 4.44Å; L41-L45 VanDerWaalsContact O-CB 3.3Å; L41-L45 WeakPolarHBondContact O-CB 3.38Å; L41-L45 WeakPolarHBondContact O-CD1 3.37Å; L41-L45 VanDerWaalsContact O-CG 3.26Å; L41-L45 WeakPolarHBondContact O-CG 3.32Å; L41-L45 PolarHBondContact O-N 2.86Å; L45-A47 VanDerWaalsContact C-N 3.33Å; L45-A47 PolarHBondContact O-N 3.45Å; L45-A49 WeakPolarHBondContact O-CB 3.27Å; L45-A49 PolarHBondContact O-N 3Å; L45-F482 HydrophobicContact CD2-CE1 4.22Å; L45-F482 HydrophobicContact CD2-CE2 3.62Å; L45-F482 HydrophobicContact CD2-CZ 3.37Å; L45-F482 HydrophobicContact CG-CZ 4.22Å |
| 46 | A | 50.4 | Low | 48.7 | Very low | 56 Ų | 56 | 65.3 Ų | 65.3 | 46% | 0.463 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.5 | -32.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T42 L43 T44 A50 | T42-A46 WeakPolarHBondContact O-CB 3.19Å; T42-A46 PolarHBondContact O-N 3.31Å; L43-A46 PolarHBondContact O-N 3.35Å; T44-A46 VanDerWaalsContact C-N 3.33Å; T44-A46 PolarHBondContact O-N 3.02Å; A46-A50 WeakPolarHBondContact O-CB 3.49Å; A46-A50 PolarHBondContact O-N 2.82Å |
| 47 | A | 50.8 | Low | 48.4 | Very low | 40 Ų | 40 | 67.1 Ų | 67.1 | 33% | 0.331 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69.6 | -51.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L43 T44 L45 A49 A50 L51 | L43-A47 PolarHBondContact O-N 3Å; T44-A47 WeakPolarHBondContact O-CB 3.05Å; T44-A47 PolarHBondContact O-N 3.12Å; T44-A47 VanDerWaalsContact O-N 3.09Å; L45-A47 VanDerWaalsContact C-N 3.33Å; L45-A47 PolarHBondContact O-N 3.45Å; A47-A49 PolarHBondContact O-N 3.16Å; A47-A50 PolarHBondContact O-N 3.03Å; A47-L51 WeakPolarHBondContact O-CG 3.11Å; A47-L51 PolarHBondContact O-N 3.14Å |
| 48 | S | 44.6 | Very low | 48.2 | Very low | 30 Ų | 30 | 69.1 Ų | 69.1 | 21% | 0.21 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 177.2 | -55.8 | 0 | 0 | 0 | 0 | 112 | T44 L51 L52 | T44-S48 PolarHBondContact O-N 3.26Å; T44-S48 PolarHBondContact O-OG 2.89Å; S48-L51 PolarHBondContact O-N 3.08Å; S48-L52 WeakPolarHBondContact O-CG 3.15Å; S48-L52 PolarHBondContact O-N 3.24Å |
| 49 | A | 46.7 | Very low | 48 | Very low | 44 Ų | 44 | 67.8 Ų | 67.8 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.5 | -34.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L45 A47 L53 | L45-A49 WeakPolarHBondContact O-CB 3.27Å; L45-A49 PolarHBondContact O-N 3Å; A47-A49 PolarHBondContact O-N 3.16Å; A49-L53 WeakPolarHBondContact O-CB 3.38Å; A49-L53 WeakPolarHBondContact O-CD1 3.26Å; A49-L53 VanDerWaalsContact O-CG 3.23Å; A49-L53 WeakPolarHBondContact O-CG 3.49Å; A49-L53 PolarHBondContact O-N 2.86Å |
| 50 | A | 49.4 | Very low | 47.4 | Very low | 50 Ų | 50 | 63.4 Ų | 63.4 | 41% | 0.413 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A46 A47 L53 T54 | A46-A50 WeakPolarHBondContact O-CB 3.49Å; A46-A50 PolarHBondContact O-N 2.82Å; A47-A50 PolarHBondContact O-N 3.03Å; A50-L53 PolarHBondContact O-N 2.95Å; A50-T54 WeakPolarHBondContact O-CG2 3.35Å; A50-T54 PolarHBondContact O-N 3.38Å; A50-T54 PolarHBondContact O-OG1 2.86Å |
| 51 | L | 50.6 | Low | 46.8 | Very low | 66 Ų | 66 | 69.6 Ų | 69.6 | 35% | 0.346 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -57.5 | -51 | 174.4 | -73.6 | 162.5 | 0 | 0 | 0 | 111.1 | A47 S48 L53 T54 S55 L388 | A47-L51 WeakPolarHBondContact O-CG 3.11Å; A47-L51 PolarHBondContact O-N 3.14Å; S48-L51 PolarHBondContact O-N 3.08Å; L51-L53 PolarHBondContact O-N 2.94Å; L51-T54 WeakPolarHBondContact CA-OG1 3.49Å; L51-T54 PolarHBondContact O-N 3.09Å; L51-T54 VanDerWaalsContact O-N 3.1Å; L51-T54 PolarHBondContact O-OG1 3Å; L51-S55 PolarHBondContact O-N 3.43Å; L51-L388 HydrophobicContact CB-CD2 4.46Å |
| 52 | L | 45.8 | Very low | 46.2 | Very low | 65 Ų | 65 | 71.5 Ų | 71.5 | 34% | 0.34 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62 | -22.8 | 176.6 | -72.4 | 167.9 | 0 | 0 | 0 | 114.7 | S48 S55 Q56 L388 | S48-L52 WeakPolarHBondContact O-CG 3.15Å; S48-L52 PolarHBondContact O-N 3.24Å; L52-S55 PolarHBondContact O-OG 3.36Å; L52-S55 VanDerWaalsContact O-OG 3.08Å; L52-Q56 PolarHBondContact O-NE2 3.35Å; L52-L388 HydrophobicContact CD2-CD1 3.71Å; L52-L388 HydrophobicContact CD2-CD2 4.47Å; L52-L388 HydrophobicContact CG-CD1 4.42Å; L52-L388 HydrophobicContact CG-CD2 4.32Å |
| 53 | L | 47.1 | Very low | 45.7 | Very low | 108 Ų | 108 | 76.5 Ų | 76.5 | 57% | 0.565 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -89.4 | -29.7 | 173.8 | -71.8 | 168.1 | 0 | 0 | 0 | 112.2 | A49 A50 L51 S57 | A49-L53 WeakPolarHBondContact O-CB 3.38Å; A49-L53 WeakPolarHBondContact O-CD1 3.26Å; A49-L53 VanDerWaalsContact O-CG 3.23Å; A49-L53 WeakPolarHBondContact O-CG 3.49Å; A49-L53 PolarHBondContact O-N 2.86Å; A50-L53 PolarHBondContact O-N 2.95Å; L51-L53 PolarHBondContact O-N 2.94Å; L53-S57 PolarHBondContact O-N 3.36Å; L53-S57 PolarHBondContact O-OG 2.86Å |
| 54 | T | 47.4 | Very low | 44.9 | Very low | 85 Ų | 85 | 74.9 Ų | 74.9 | 52% | 0.521 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -72.6 | -33.2 | 173.6 | 51 | 0 | 0 | 0 | 0 | 112.9 | A50 L51 S57 A58 | A50-T54 WeakPolarHBondContact O-CG2 3.35Å; A50-T54 PolarHBondContact O-N 3.38Å; A50-T54 PolarHBondContact O-OG1 2.86Å; L51-T54 WeakPolarHBondContact CA-OG1 3.49Å; L51-T54 PolarHBondContact O-N 3.09Å; L51-T54 VanDerWaalsContact O-N 3.1Å; L51-T54 PolarHBondContact O-OG1 3Å; T54-S57 WeakPolarHBondContact O-CB 3.43Å; T54-S57 PolarHBondContact O-N 3.33Å; T54-S57 VanDerWaalsContact O-N 3.15Å; T54-A58 PolarHBondContact O-N 2.98Å |
| 55 | S | 45 | Very low | 44.7 | Very low | 17 Ų | 17 | 82.2 Ų | 82.2 | 12% | 0.119 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -63 | -46.8 | 174.8 | 57.8 | 0 | 0 | 0 | 0 | 112.1 | L51 L52 S57 A58 T59 | L51-S55 PolarHBondContact O-N 3.43Å; L52-S55 PolarHBondContact O-OG 3.36Å; L52-S55 VanDerWaalsContact O-OG 3.08Å; S55-S57 PolarHBondContact O-N 3.39Å; S55-A58 PolarHBondContact O-N 3.37Å; S55-T59 PolarHBondContact O-N 2.92Å; S55-T59 VanDerWaalsContact O-N 3.1Å; S55-T59 PolarHBondContact O-OG1 3.21Å |
| 56 | Q | 43.9 | Very low | 43.9 | Very low | 112 Ų | 112 | 82.1 Ų | 82.1 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.1 | -28.5 | 172.7 | -70.4 | 174.8 | 63.7 | 0 | 0 | 113.1 | L52 T59 A60 | L52-Q56 PolarHBondContact O-NE2 3.35Å; Q56-T59 PolarHBondContact O-OG1 3.04Å; Q56-A60 WeakPolarHBondContact O-CB 3.33Å; Q56-A60 PolarHBondContact O-N 3.14Å |
| 57 | S | 42.5 | Very low | 42.9 | Very low | 72 Ų | 72 | 87.2 Ų | 87.2 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -79.3 | -29.5 | 176.8 | -55.7 | 0 | 0 | 0 | 0 | 112.6 | L53 T54 S55 | L53-S57 PolarHBondContact O-N 3.36Å; L53-S57 PolarHBondContact O-OG 2.86Å; T54-S57 WeakPolarHBondContact O-CB 3.43Å; T54-S57 PolarHBondContact O-N 3.33Å; T54-S57 VanDerWaalsContact O-N 3.15Å; S55-S57 PolarHBondContact O-N 3.39Å |
| 58 | A | 42.7 | Very low | 42.4 | Very low | 64 Ų | 64 | 93.1 Ų | 93.1 | 53% | 0.529 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -76.2 | -45.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | T54 S55 A60 H61 S62 | T54-A58 PolarHBondContact O-N 2.98Å; S55-A58 PolarHBondContact O-N 3.37Å; A58-A60 PolarHBondContact O-N 3.45Å; A58-H61 PolarHBondContact O-N 3.05Å; A58-S62 PolarHBondContact O-N 2.78Å |
| 59 | T | 44.3 | Very low | 41.8 | Very low | 80 Ų | 80 | 94.9 Ų | 94.9 | 49% | 0.491 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.9 | -43.3 | 176.5 | 52.2 | 0 | 0 | 0 | 0 | 111.6 | S55 Q56 H61 S62 H63 | S55-T59 PolarHBondContact O-N 2.92Å; S55-T59 VanDerWaalsContact O-N 3.1Å; S55-T59 PolarHBondContact O-OG1 3.21Å; Q56-T59 PolarHBondContact O-OG1 3.04Å; T59-H61 PolarHBondContact O-N 3.32Å; T59-S62 WeakPolarHBondContact O-CB 3.25Å; T59-S62 PolarHBondContact O-N 3.06Å; T59-S62 VanDerWaalsContact O-N 3.08Å; T59-H63 PolarHBondContact O-CD2 2.86Å |
| 60 | A | 40.3 | Very low | 41.3 | Very low | 71 Ų | 71 | 100.5 Ų | 100.5 | 59% | 0.587 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.1 | -27.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q56 A58 | Q56-A60 WeakPolarHBondContact O-CB 3.33Å; Q56-A60 PolarHBondContact O-N 3.14Å; A58-A60 PolarHBondContact O-N 3.45Å |
| 61 | H | 37.4 | Very low | 40.4 | Very low | 158 Ų | 158 | 104.7 Ų | 104.7 | 73% | 0.731 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -85.2 | -18.7 | 177.2 | -103.5 | -70.2 | 0 | 0 | 0 | 114.3 | A58 T59 | A58-H61 PolarHBondContact O-N 3.05Å; T59-H61 PolarHBondContact O-N 3.32Å |
| 62 | S | 37.2 | Very low | 39.8 | Very low | 93 Ų | 93 | 109 Ų | 109 | 65% | 0.65 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.2 | -41.1 | 179.3 | -165.5 | 0 | 0 | 0 | 0 | 112.3 | A58 T59 S64 | A58-S62 PolarHBondContact O-N 2.78Å; T59-S62 WeakPolarHBondContact O-CB 3.25Å; T59-S62 PolarHBondContact O-N 3.06Å; T59-S62 VanDerWaalsContact O-N 3.08Å; S62-S64 PolarHBondContact O-N 2.93Å |
| 63 | H | 39.1 | Very low | 39.2 | Very low | 174 Ų | 174 | 114.8 Ų | 114.8 | 81% | 0.806 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 17.1 | -174.7 | -68.8 | -76 | 0 | 0 | 0 | 115.9 | T59 | T59-H63 PolarHBondContact O-CD2 2.86Š|
| 64 | S | 37.3 | Very low | 38.5 | Very low | 86 Ų | 86 | 117.9 Ų | 117.9 | 60% | 0.601 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | 15.6 | -168.9 | -153.2 | 0 | 0 | 0 | 0 | 116.3 | S62 | S62-S64 PolarHBondContact O-N 2.93Š|
| 65 | H | 42.3 | Very low | 37.9 | Very low | 187 Ų | 187 | 122.6 Ų | 122.6 | 87% | 0.866 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -141.5 | 124.1 | 170.9 | -76.9 | -68.3 | 0 | 0 | 0 | 112.1 | ||
| 66 | G | 36.3 | Very low | 37.2 | Very low | 66 Ų | 66 | 125.4 Ų | 125.4 | 68% | 0.68 | 71% | 0.71 | S | S | * | * | trans | 142.3 | -6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | H68 | G66-H68 PolarHBondContact O-N 3.25Š| ||
| 67 | D | 31 | Very low | 36.7 | Very low | 163 Ų | 163 | 128.7 Ų | 128.7 | 87% | 0.872 | 73% | 0.725 | S | S | * | * | trans | -74 | 85.5 | -174 | -167.1 | 8.8 | 0 | 0 | 0 | 113.3 | ||||
| 68 | H | 39.7 | Very low | 36 | Very low | 164 Ų | 164 | 130.3 Ų | 130.3 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | -96.4 | 82 | 174.3 | -85.5 | -67 | 0 | 0 | 0 | 110.9 | G66 H70 | G66-H68 PolarHBondContact O-N 3.25Å; H68-H70 PolarHBondContact O-CD2 2.96Å; H68-H70 PolarHBondContact O-N 2.82Å; H68-H70 VanDerWaalsContact O-N 3.15Å | ||
| 69 | G | 32.5 | Very low | 35.7 | Very low | 67 Ų | 67 | 136 Ų | 136 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | trans | -59.9 | 112.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 70 | H | 34.7 | Very low | 35 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | -97.6 | 104.7 | 168 | -85.1 | -91.2 | 0 | 0 | 0 | 110.7 | H68 H72 | H68-H70 PolarHBondContact O-CD2 2.96Å; H68-H70 PolarHBondContact O-N 2.82Å; H68-H70 VanDerWaalsContact O-N 3.15Å; H70-H72 PolarHBondContact O-N 3.15Å | ||
| 71 | T | 32.2 | Very low | 34.7 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | trans | -80.2 | 111.1 | -179.9 | 52.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 72 | H | 36.1 | Very low | 34.5 | Very low | 156 Ų | 156 | 140 Ų | 140 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | -104.4 | 121.3 | 166.7 | -79.5 | -95.8 | 0 | 0 | 0 | 110.8 | H70 | H70-H72 PolarHBondContact O-N 3.15Š| ||
| 73 | H | 33.6 | Very low | 34.4 | Very low | 186 Ų | 186 | 143.6 Ų | 143.6 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -74.5 | 128.8 | 169.7 | -84.4 | -10.2 | 0 | 0 | 0 | 110.4 | ||||
| 74 | H | 33.8 | Very low | 34.1 | Very low | 174 Ų | 174 | 137.9 Ų | 137.9 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | -119.3 | 140.7 | 158.3 | -82.8 | -95.2 | 0 | 0 | 0 | 109.8 | ||||
| 75 | H | 34.8 | Very low | 33.9 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | trans | -72.3 | 128.9 | -176.2 | -82.6 | -95.6 | 0 | 0 | 0 | 111.3 | ||||
| 76 | G | 28.7 | Very low | 33.4 | Very low | 76 Ų | 76 | 139.8 Ų | 139.8 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | -76.7 | 135.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 77 | H | 33.9 | Very low | 33.4 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -111.8 | 139.7 | 158.4 | -88.4 | -92.2 | 0 | 0 | 0 | 108.7 | ||||
| 78 | S | 29 | Very low | 33.3 | Very low | 106 Ų | 106 | 142 Ų | 142 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -120.6 | 133.9 | -175.2 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 79 | H | 35.8 | Very low | 33 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | -142.1 | 133.3 | 159.8 | -80.4 | -81.2 | 0 | 0 | 0 | 108.3 | ||||
| 80 | G | 30 | Very low | 32.8 | Very low | 65 Ų | 65 | 145.3 Ų | 145.3 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | trans | -85.3 | -165.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 81 | E | 33.8 | Very low | 32.7 | Very low | 181 Ų | 181 | 143.9 Ų | 143.9 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | cis | -140.4 | 175.7 | 6.8 | -67.2 | 170.7 | 116.3 | 0 | 0 | 109.1 | ||||
| 82 | D | 33.3 | Very low | 32.6 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | 23 | 134.2 | 157.1 | -56.5 | -22.5 | 0 | 0 | 0 | 120.2 | ||||
| 83 | D | 35.4 | Very low | 32.3 | Very low | 167 Ų | 167 | 146 Ų | 146 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | -154 | 165.9 | 61.2 | -126.8 | -39.3 | 0 | 0 | 0 | 112.6 | |||||
| 84 | G | 31.3 | Very low | 32 | Very low | 54 Ų | 54 | 146.4 Ų | 146.4 | 56% | 0.557 | 81% | 0.809 | S | S | * | * | trans | -136.9 | 158.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 85 | H | 33.5 | Very low | 31.9 | Very low | 208 Ų | 208 | 145.8 Ų | 145.8 | 96% | 0.963 | 81% | 0.806 | S | S | * | * | trans | -151.4 | 156.4 | 163.3 | -87.6 | -21.7 | 0 | 0 | 0 | 111.5 | ||||
| 86 | S | 31.3 | Very low | 31.6 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -130.6 | 135 | -173.6 | 70.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 87 | H | 36.1 | Very low | 31.7 | Very low | 206 Ų | 206 | 142.2 Ų | 142.2 | 95% | 0.954 | 81% | 0.81 | S | S | * | * | trans | -160.5 | 155.7 | 150.7 | -78.8 | -58 | 0 | 0 | 0 | 105.4 | ||||
| 88 | G | 29.6 | Very low | 32 | Very low | 69 Ų | 69 | 139.4 Ų | 139.4 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | cis | 155.1 | 112.4 | 5.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 89 | A | 32.6 | Very low | 32 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 88% | 0.884 | 82% | 0.818 | S | S | * | * | trans | -68.3 | 144.6 | -159.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 90 | Q | 29.8 | Very low | 31.8 | Very low | 195 Ų | 195 | 147.5 Ų | 147.5 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | trans | -146.1 | 126.2 | 160.4 | -118 | 176.6 | 47.2 | 0 | 0 | 112 | ||||
| 91 | V | 31.3 | Very low | 31.8 | Very low | 132 Ų | 132 | 149.8 Ų | 149.8 | 80% | 0.8 | 83% | 0.829 | S | S | * | * | trans | -83.4 | 131.9 | 173 | 174.5 | 0 | 0 | 0 | 0 | 108.8 | M93 | V91-M93 HydrophobicContact CG1-CG 4.2Š| ||
| 92 | K | 30.4 | Very low | 31.7 | Very low | 187 Ų | 187 | 145.7 Ų | 145.7 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | trans | -106 | 103.5 | 174.9 | -120.9 | 177.9 | -178 | 177.9 | 0 | 110.1 | ||||
| 93 | M | 29.6 | Very low | 31.7 | Very low | 151 Ų | 151 | 147.1 Ų | 147.1 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -89 | 122.2 | 169.7 | -59.9 | -146.1 | -57.8 | 0 | 0 | 109.7 | V91 | V91-M93 HydrophobicContact CG1-CG 4.2Š|
| 94 | F | 27.7 | Very low | 31.7 | Very low | 195 Ų | 195 | 143.1 Ų | 143.1 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 125 | 170.7 | -91.7 | -94 | 0 | 0 | 0 | 110.4 | ||
| 95 | H | 32.8 | Very low | 31.8 | Very low | 161 Ų | 161 | 148.2 Ų | 148.2 | 75% | 0.745 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 131.8 | 161.2 | -81.3 | 54 | 0 | 0 | 0 | 108.1 | ||
| 96 | G | 27.8 | Very low | 31.8 | Very low | 82 Ų | 82 | 145.8 Ų | 145.8 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 150.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 97 | A | 30.9 | Very low | 32.4 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -148.1 | 111.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 98 | S | 39.6 | Very low | 32.2 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -70.5 | 142.8 | 170.3 | 50.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 99 | K | 30.5 | Very low | 32.2 | Very low | 207 Ų | 207 | 147.6 Ų | 147.6 | 90% | 0.9 | 81% | 0.812 | S | S | * | * | trans | -145.6 | 118 | 162.4 | -100.2 | -175.3 | 178.7 | -179 | 0 | 111.8 | ||||
| 100 | W | 30.6 | Very low | 32.1 | Very low | 252 Ų | 252 | 150.3 Ų | 150.3 | 96% | 0.955 | 81% | 0.807 | S | S | * | * | trans | -125.5 | 161 | 160 | -93.7 | 85.6 | 0 | 0 | 0 | 107.8 | ||||
| 101 | S | 30.9 | Very low | 32.3 | Very low | 114 Ų | 114 | 148.9 Ų | 148.9 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | 79.8 | 147 | 174 | -54.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 102 | A | 30.1 | Very low | 32.3 | Very low | 94 Ų | 94 | 151.6 Ų | 151.6 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | 64.4 | 131.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 103 | E | 34.5 | Very low | 32.4 | Very low | 178 Ų | 178 | 149 Ų | 149 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | cis | -144.8 | 154.7 | 7.8 | -168.7 | 71.6 | 151.4 | 0 | 0 | 111.2 | ||||
| 104 | A | 35.3 | Very low | 32.9 | Very low | 84 Ų | 84 | 150.8 Ų | 150.8 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | trans | -133.5 | 111.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 105 | N | 33.4 | Very low | 33.2 | Very low | 160 Ų | 160 | 149.3 Ų | 149.3 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -161.9 | 163.2 | 158 | -103.8 | -49.2 | 0 | 0 | 0 | 112.4 | ||||
| 106 | L | 32.3 | Very low | 33.7 | Very low | 158 Ų | 158 | 151.3 Ų | 151.3 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | -105.1 | -177.7 | -165.4 | -75.1 | 164.2 | 0 | 0 | 0 | 112 | ||||
| 107 | P | 45.7 | Very low | 33.9 | Very low | 95 Ų | 95 | 150.8 Ų | 150.8 | 62% | 0.617 | 80% | 0.8 | S | S | * | * | cis | -140.1 | 173.1 | -34.3 | 34.6 | -15.9 | 0 | 0 | 0 | 116.2 | ||||
| 108 | Q | 30.2 | Very low | 34.4 | Very low | 171 Ų | 171 | 154.2 Ų | 154.2 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | 66.4 | 157.1 | 141 | -84.2 | -178 | -41.1 | 0 | 0 | 124 | ||||
| 109 | H | 30.8 | Very low | 34.1 | Very low | 152 Ų | 152 | 156 Ų | 156 | 70% | 0.704 | 80% | 0.798 | S | S | * | * | trans | 66.5 | 147.2 | 173.5 | -76.1 | -93.3 | 0 | 0 | 0 | 116.1 | ||||
| 110 | E | 29.9 | Very low | 34.9 | Very low | 163 Ų | 163 | 152.7 Ų | 152.7 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | cis | -144.9 | -170.7 | 3.1 | -155.3 | 137.6 | -123.7 | 0 | 0 | 112.3 | ||||
| 111 | E | 33.2 | Very low | 35.2 | Very low | 165 Ų | 165 | 144.9 Ų | 144.9 | 77% | 0.771 | 78% | 0.784 | S | S | * | * | trans | -73.5 | 154.2 | -178.6 | -52.7 | 175.9 | 143.8 | 0 | 0 | 113.9 | ||||
| 112 | E | 31.6 | Very low | 36 | Very low | 189 Ų | 189 | 147.1 Ų | 147.1 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -156.5 | 154.2 | 135.5 | -126.4 | 173.8 | -164.6 | 0 | 0 | 112.7 | ||||
| 113 | H | 34 | Very low | 36.4 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 62% | 0.616 | 78% | 0.783 | S | S | * | * | trans | -101.8 | 144.4 | -169.4 | -58.3 | -109.7 | 0 | 0 | 0 | 113.3 | ||||
| 114 | H | 39.3 | Very low | 37.2 | Very low | 189 Ų | 189 | 145.7 Ų | 145.7 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | trans | -142.2 | 123.6 | 148.2 | -78.5 | -56.4 | 0 | 0 | 0 | 113.1 | ||||
| 115 | H | 34.1 | Very low | 37.3 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -99.6 | 130.4 | 169.8 | -68.5 | -97.8 | 0 | 0 | 0 | 110.7 | ||||
| 116 | H | 42.3 | Very low | 38.2 | Very low | 203 Ų | 203 | 146.9 Ų | 146.9 | 94% | 0.94 | 78% | 0.782 | S | S | * | * | trans | -162.8 | 150.1 | 148.3 | -70.3 | -54.8 | 0 | 0 | 0 | 106.7 | ||||
| 117 | G | 32 | Very low | 38.6 | Very low | 72 Ų | 72 | 145.2 Ų | 145.2 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | cis | 170.2 | 129.6 | -5.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 118 | H | 42.8 | Very low | 38.8 | Very low | 175 Ų | 175 | 148.1 Ų | 148.1 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -69.8 | 150.4 | -173.1 | -72.2 | -102.2 | 0 | 0 | 0 | 113.7 | H120 | H118-H120 AromaticContact ND1-CD2 3.97Å; H118-H120 AromaticContact ND1-NE2 3.5Å; H118-H120 PolarHBondContact ND1-NE2 3.07Å | ||
| 119 | D | 33.3 | Very low | 39.5 | Very low | 159 Ų | 159 | 147.6 Ų | 147.6 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -146.7 | 157.3 | 132.4 | -153.4 | -8.6 | 0 | 0 | 0 | 110.9 | ||||
| 120 | H | 46.5 | Very low | 40.4 | Very low | 137 Ų | 137 | 146.9 Ų | 146.9 | 63% | 0.634 | 79% | 0.788 | S | S | * | * | trans | -130.8 | 107.7 | -177.1 | -78.7 | -89.6 | 0 | 0 | 0 | 111.8 | H118 | H118-H120 AromaticContact ND1-CD2 3.97Å; H118-H120 AromaticContact ND1-NE2 3.5Å; H118-H120 PolarHBondContact ND1-NE2 3.07Å | ||
| 121 | G | 36.3 | Very low | 40.9 | Very low | 89 Ų | 89 | 143.1 Ų | 143.1 | 92% | 0.918 | 79% | 0.792 | S | S | * | * | trans | -96.2 | 91.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 122 | H | 48.4 | Very low | 41.8 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 75% | 0.745 | 79% | 0.791 | S | S | * | * | trans | -90.3 | 133.5 | 166.1 | -81.2 | -84.1 | 0 | 0 | 0 | 111.3 | ||||
| 123 | G | 37.7 | Very low | 42.3 | Very low | 78 Ų | 78 | 138.7 Ų | 138.7 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -143.3 | 105.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 124 | H | 51.6 | Low | 43.1 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -99.9 | 139.1 | 172.7 | -71.1 | -91 | 0 | 0 | 0 | 110.9 | ||||
| 125 | A | 38.1 | Very low | 43.3 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -150.5 | 129.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 126 | H | 51.3 | Low | 43.9 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 78% | 0.778 | 79% | 0.791 | S | S | * | * | trans | -108.8 | 148.9 | 169.9 | -65.9 | -93.1 | 0 | 0 | 0 | 109.5 | ||||
| 127 | S | 41.8 | Very low | 44 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -146.4 | 143.3 | 155.4 | 54.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 128 | H | 50.7 | Low | 44.8 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -103.5 | 157.5 | 175.2 | -72.6 | -116.8 | 0 | 0 | 0 | 109.5 | H130 | H128-H130 AromaticContact ND1-NE2 3.58Š| ||
| 129 | D | 42.9 | Very low | 44.7 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | -141.1 | 152.6 | 143.3 | -162.4 | 7.4 | 0 | 0 | 0 | 110.1 | ||||
| 130 | H | 49.8 | Very low | 45.5 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 63% | 0.634 | 78% | 0.782 | S | S | * | * | trans | -136.5 | 93.4 | -175.5 | -81.9 | -83.6 | 0 | 0 | 0 | 111.1 | H128 | H128-H130 AromaticContact ND1-NE2 3.58Š| ||
| 131 | G | 41 | Very low | 45.4 | Very low | 83 Ų | 83 | 130.8 Ų | 130.8 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -93.6 | 98.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 132 | H | 52.8 | Low | 46.1 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 73% | 0.731 | 78% | 0.783 | S | S | * | * | trans | -94.1 | 135.1 | 167.7 | -78.2 | -87.4 | 0 | 0 | 0 | 111.6 | ||||
| 133 | A | 41.4 | Very low | 46.1 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -145.2 | 113.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 134 | H | 50.8 | Low | 46.7 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | trans | -98.9 | 145 | 169.4 | -69.4 | -96.8 | 0 | 0 | 0 | 109.6 | ||||
| 135 | S | 44.5 | Very low | 46.5 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -135.8 | 132.1 | 155.2 | 56.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 136 | H | 46.2 | Very low | 47.2 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | trans | -113.1 | 147.8 | 171.6 | -74.2 | -105.5 | 0 | 0 | 0 | 107.6 | ||||
| 137 | D | 44.1 | Very low | 47.2 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | -129 | 148.8 | 158.7 | -165.6 | 7.9 | 0 | 0 | 0 | 109.1 | ||||
| 138 | H | 50 | Low | 47.9 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | trans | -134.2 | 90.4 | -169.2 | -83.5 | -78.7 | 0 | 0 | 0 | 111.3 | ||||
| 139 | G | 39.5 | Very low | 47.9 | Very low | 82 Ų | 82 | 133.2 Ų | 133.2 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -94.3 | 113.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 140 | H | 50.2 | Low | 48.4 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | -84.9 | 142.1 | -179.1 | -83 | -83.4 | 0 | 0 | 0 | 114 | ||||
| 141 | A | 45.3 | Very low | 48.4 | Very low | 80 Ų | 80 | 131.5 Ų | 131.5 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | trans | -19.3 | 153 | 166.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 142 | H | 50.8 | Low | 48.9 | Very low | 195 Ų | 195 | 134.4 Ų | 134.4 | 90% | 0.903 | 76% | 0.761 | S | S | * | * | -147 | 156.2 | 115.1 | -95.3 | -63 | 0 | 0 | 0 | 111.6 | |||||
| 143 | S | 47.8 | Very low | 48.6 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | -100.8 | 139.7 | -170.3 | 53.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 144 | H | 49.9 | Very low | 49.1 | Very low | 183 Ų | 183 | 135.2 Ų | 135.2 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | trans | -139.5 | 128.1 | 152.3 | -89.7 | -78.2 | 0 | 0 | 0 | 110.7 | ||||
| 145 | D | 46.8 | Very low | 48.9 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | trans | -85.8 | 124.4 | 171.5 | 167.6 | 28.4 | 0 | 0 | 0 | 109.8 | G147 | D145-G147 PolarHBondContact OD1-N 2.69Š| ||
| 146 | H | 54.3 | Low | 49.3 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | trans | -145.5 | 86.1 | 160.3 | -79.7 | -49.5 | 0 | 0 | 0 | 109.9 | H148 | H146-H148 PolarHBondContact O-N 2.87Š| ||
| 147 | G | 50.6 | Low | 49.5 | Very low | 71 Ų | 71 | 127.9 Ų | 127.9 | 73% | 0.732 | 73% | 0.731 | S | S | * | * | trans | -61 | 100.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D145 | D145-G147 PolarHBondContact OD1-N 2.69Š| ||
| 148 | H | 56.3 | Low | 50 | Low | 148 Ų | 148 | 126.6 Ų | 126.6 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | trans | -115 | 88.5 | 165.7 | -75.9 | -64.4 | 0 | 0 | 0 | 110.7 | H146 H150 | H146-H148 PolarHBondContact O-N 2.87Å; H148-H150 VanDerWaalsContact C-N 3.34Å; H148-H150 PolarHBondContact O-N 3.33Å | ||
| 149 | A | 50.7 | Low | 50.2 | Low | 102 Ų | 102 | 122.3 Ų | 122.3 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | trans | -73.2 | 83.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S151 | A149-S151 PolarHBondContact O-N 3.15Š| ||
| 150 | H | 53.9 | Low | 51.2 | Low | 146 Ų | 146 | 122.8 Ų | 122.8 | 68% | 0.676 | 70% | 0.703 | S | S | * | * | trans | -79.9 | 92.5 | 169.2 | -75.4 | -76 | 0 | 0 | 0 | 110.3 | H148 H152 | H148-H150 VanDerWaalsContact C-N 3.34Å; H148-H150 PolarHBondContact O-N 3.33Å; H150-H152 VanDerWaalsContact C-N 3.3Å; H150-H152 PolarHBondContact O-N 2.92Å | ||
| 151 | S | 50.3 | Low | 51.7 | Low | 114 Ų | 114 | 119.4 Ų | 119.4 | 80% | 0.797 | 69% | 0.687 | S | S | * | * | trans | -69.1 | 82.7 | 174.4 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | A149 D153 | A149-S151 PolarHBondContact O-N 3.15Å; S151-D153 PolarHBondContact O-N 3.42Å | ||
| 152 | H | 50.6 | Low | 52.6 | Low | 145 Ų | 145 | 123.6 Ų | 123.6 | 67% | 0.671 | 69% | 0.686 | S | S | * | * | trans | -76.3 | 78.9 | 165 | -80.3 | -90.8 | 0 | 0 | 0 | 109.8 | H150 H154 | H150-H152 VanDerWaalsContact C-N 3.3Å; H150-H152 PolarHBondContact O-N 2.92Å; H152-H154 AromaticContact ND1-NE2 3.77Å; H152-H154 PolarHBondContact O-N 3.12Å | ||
| 153 | D | 47.2 | Very low | 53.5 | Low | 147 Ų | 147 | 117 Ų | 117 | 79% | 0.786 | 67% | 0.665 | S | S | * | * | trans | -69.2 | 80 | 167.3 | -178.5 | 22.6 | 0 | 0 | 0 | 109.9 | S151 G155 | S151-D153 PolarHBondContact O-N 3.42Å; D153-G155 PolarHBondContact O-N 3.48Å; D153-G155 PolarHBondContact OD1-N 3.34Å | ||
| 154 | H | 50.6 | Low | 54.4 | Low | 131 Ų | 131 | 118.7 Ų | 118.7 | 61% | 0.606 | 66% | 0.66 | S | S | * | * | trans | -77.4 | 75.4 | 162 | -73.2 | -66.4 | 0 | 0 | 0 | 108.5 | H152 H156 | H152-H154 AromaticContact ND1-NE2 3.77Å; H152-H154 PolarHBondContact O-N 3.12Å; H154-H156 PolarHBondContact O-CD2 3.11Å; H154-H156 PolarHBondContact O-N 2.94Å | ||
| 155 | G | 47.9 | Very low | 55.1 | Low | 54 Ų | 54 | 118.3 Ų | 118.3 | 56% | 0.557 | 65% | 0.651 | S | S | * | * | trans | -58.7 | 96.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D153 A157 | D153-G155 PolarHBondContact O-N 3.48Å; D153-G155 PolarHBondContact OD1-N 3.34Å; G155-A157 PolarHBondContact O-N 3.32Å | ||
| 156 | H | 52.4 | Low | 56.2 | Low | 154 Ų | 154 | 116.3 Ų | 116.3 | 71% | 0.713 | 64% | 0.637 | S | S | * | * | trans | -73.4 | 61.5 | -177 | -76.1 | -81.2 | 0 | 0 | 0 | 112.6 | H154 H158 G159 | H154-H156 PolarHBondContact O-CD2 3.11Å; H154-H156 PolarHBondContact O-N 2.94Å; H156-H158 PolarHBondContact O-N 3.46Å; H156-G159 PolarHBondContact O-N 2.81Å; H156-G159 VanDerWaalsContact O-N 3.15Å | ||
| 157 | A | 51.3 | Low | 56.9 | Low | 70 Ų | 70 | 110.4 Ų | 110.4 | 58% | 0.579 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -20.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G155 G159 S160 E161 | G155-A157 PolarHBondContact O-N 3.32Å; A157-G159 PolarHBondContact O-N 3.11Å; A157-S160 WeakPolarHBondContact O-CB 3.37Å; A157-S160 PolarHBondContact O-N 3.45Å; A157-S160 VanDerWaalsContact O-N 3.11Å; A157-E161 PolarHBondContact O-N 2.93Å |
| 158 | H | 52.7 | Low | 57.6 | Low | 134 Ų | 134 | 109.8 Ų | 109.8 | 62% | 0.62 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -58.6 | -24.6 | 175.3 | -60.9 | -50 | 0 | 0 | 0 | 114.2 | H156 S160 E161 R162 | H156-H158 PolarHBondContact O-N 3.46Å; H158-S160 VanDerWaalsContact C-N 3.34Å; H158-E161 IonicContact ND1-OE2 3.43Å; H158-E161 PolarHBondContact O-N 2.68Å; H158-R162 WeakPolarHBondContact O-CB 3.47Å; H158-R162 PolarHBondContact O-N 3.3Å |
| 159 | G | 55.8 | Low | 58.2 | Low | 47 Ų | 47 | 103.8 Ų | 103.8 | 49% | 0.485 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.7 | -41.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H156 A157 A163 | H156-G159 PolarHBondContact O-N 2.81Å; H156-G159 VanDerWaalsContact O-N 3.15Å; A157-G159 PolarHBondContact O-N 3.11Å; G159-A163 WeakPolarHBondContact O-CB 3.46Å; G159-A163 PolarHBondContact O-N 3.33Å |
| 160 | S | 59.8 | Low | 59.3 | Low | 93 Ų | 93 | 104.8 Ų | 104.8 | 65% | 0.65 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.1 | -45.3 | 177.1 | -178.9 | 0 | 0 | 0 | 0 | 111.8 | A157 H158 R162 K164 | A157-S160 WeakPolarHBondContact O-CB 3.37Å; A157-S160 PolarHBondContact O-N 3.45Å; A157-S160 VanDerWaalsContact O-N 3.11Å; H158-S160 VanDerWaalsContact C-N 3.34Å; S160-R162 PolarHBondContact O-N 3.08Å; S160-K164 WeakPolarHBondContact O-CB 3.19Å; S160-K164 PolarHBondContact O-N 3.01Å |
| 161 | E | 60.6 | Low | 60.3 | Low | 101 Ų | 101 | 102.9 Ų | 102.9 | 47% | 0.472 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.2 | -36.4 | 176.4 | -69.3 | -158.5 | 109 | 0 | 0 | 113 | A157 H158 R165 | A157-E161 PolarHBondContact O-N 2.93Å; H158-E161 IonicContact ND1-OE2 3.43Å; H158-E161 PolarHBondContact O-N 2.68Å; E161-R165 WeakPolarHBondContact O-CB 3.39Å; E161-R165 WeakPolarHBondContact O-CD 3.48Å; E161-R165 WeakPolarHBondContact O-CG 3.35Å; E161-R165 PolarHBondContact O-N 3.16Å; E161-R165 IonicContact OE1-NH2 3.44Å |
| 162 | R | 65.3 | Low | 61.1 | Low | 169 Ų | 169 | 105.9 Ų | 105.9 | 64% | 0.638 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.1 | -55.2 | 179 | 178.4 | 173.6 | 172.2 | 165.7 | 4.6 | 110.9 | H158 S160 K164 R165 E166 | H158-R162 WeakPolarHBondContact O-CB 3.47Å; H158-R162 PolarHBondContact O-N 3.3Å; S160-R162 PolarHBondContact O-N 3.08Å; R162-K164 PolarHBondContact O-N 2.79Å; R162-R165 WeakPolarHBondContact O-CA 3.33Å; R162-R165 PolarHBondContact O-N 3.05Å; R162-E166 HydrophobicContact CG-CG 4.47Å; R162-E166 WeakPolarHBondContact CG-OE2 3.21Å; R162-E166 IonicContact CZ-OE1 2.71Å; R162-E166 IonicContact NE-OE1 2.79Å; R162-E166 PolarHBondContact NE-OE1 3.24Å; R162-E166 IonicContact NE-OE2 3.2Å; R162-E166 IonicContact NH2-OE1 3.03Å; R162-E166 PolarHBondContact NH2-OE1 2.9Å; R162-E166 WeakPolarHBondContact O-CG 3.42Å; R162-E166 PolarHBondContact O-N 2.88Å |
| 163 | A | 68.3 | Low | 62.7 | Low | 56 Ų | 56 | 104 Ų | 104 | 46% | 0.463 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.7 | -34.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | G159 A167 | G159-A163 WeakPolarHBondContact O-CB 3.46Å; G159-A163 PolarHBondContact O-N 3.33Å; A163-A167 VanDerWaalsContact O-CB 3.24Å; A163-A167 WeakPolarHBondContact O-CB 3.38Å; A163-A167 PolarHBondContact O-N 3.35Å |
| 164 | K | 66.3 | Low | 64.5 | Low | 133 Ų | 133 | 101.2 Ų | 101.2 | 58% | 0.578 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.6 | -41.4 | 172.1 | -175.4 | 175.9 | 178.3 | -175.4 | 0 | 112.7 | S160 R162 D168 | S160-K164 WeakPolarHBondContact O-CB 3.19Å; S160-K164 PolarHBondContact O-N 3.01Å; R162-K164 PolarHBondContact O-N 2.79Å; K164-D168 VanDerWaalsContact CE-OD2 3.23Å; K164-D168 WeakPolarHBondContact CE-OD2 3.42Å; K164-D168 WeakPolarHBondContact CG-OD2 3.38Å; K164-D168 WeakPolarHBondContact O-CB 3.23Å; K164-D168 PolarHBondContact O-N 3.01Å |
| 165 | R | 66 | Low | 66.4 | Low | 176 Ų | 176 | 99.6 Ų | 99.6 | 66% | 0.664 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.3 | -36.2 | 177 | -74.5 | 167.6 | -166.8 | -140.2 | 8.1 | 112.5 | E161 R162 G169 | E161-R165 WeakPolarHBondContact O-CB 3.39Å; E161-R165 WeakPolarHBondContact O-CD 3.48Å; E161-R165 WeakPolarHBondContact O-CG 3.35Å; E161-R165 PolarHBondContact O-N 3.16Å; E161-R165 IonicContact OE1-NH2 3.44Å; R162-R165 WeakPolarHBondContact O-CA 3.33Å; R162-R165 PolarHBondContact O-N 3.05Å; R165-G169 PolarHBondContact O-N 3.1Å |
| 166 | E | 70.2 | Confident | 68.4 | Low | 95 Ų | 95 | 102.3 Ų | 102.3 | 44% | 0.444 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.5 | -52.3 | 174.5 | -71.8 | 163.1 | 157.9 | 0 | 0 | 109.5 | R162 D168 G169 E170 | R162-E166 HydrophobicContact CG-CG 4.47Å; R162-E166 WeakPolarHBondContact CG-OE2 3.21Å; R162-E166 IonicContact CZ-OE1 2.71Å; R162-E166 IonicContact NE-OE1 2.79Å; R162-E166 PolarHBondContact NE-OE1 3.24Å; R162-E166 IonicContact NE-OE2 3.2Å; R162-E166 IonicContact NH2-OE1 3.03Å; R162-E166 PolarHBondContact NH2-OE1 2.9Å; R162-E166 WeakPolarHBondContact O-CG 3.42Å; R162-E166 PolarHBondContact O-N 2.88Å; E166-D168 VanDerWaalsContact C-N 3.33Å; E166-D168 PolarHBondContact O-N 3.02Å; E166-G169 WeakPolarHBondContact O-CA 3.4Å; E166-G169 PolarHBondContact O-N 3.24Å; E166-E170 PolarHBondContact O-N 3.49Å |
| 167 | A | 68.1 | Low | 70.3 | Confident | 33 Ų | 33 | 96.7 Ų | 96.7 | 27% | 0.273 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.2 | -26.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A163 G169 K171 | A163-A167 VanDerWaalsContact O-CB 3.24Å; A163-A167 WeakPolarHBondContact O-CB 3.38Å; A163-A167 PolarHBondContact O-N 3.35Å; A167-G169 VanDerWaalsContact C-N 3.33Å; A167-K171 VanDerWaalsContact C-NZ 3.3Å; A167-K171 WeakPolarHBondContact O-CB 3.21Å; A167-K171 WeakPolarHBondContact O-CE 3.46Å; A167-K171 WeakPolarHBondContact O-CG 3.4Å; A167-K171 PolarHBondContact O-N 3.2Å; A167-K171 PolarHBondContact O-NZ 3.03Å |
| 168 | D | 66.5 | Low | 72.4 | Confident | 58 Ų | 58 | 97.4 Ų | 97.4 | 31% | 0.31 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -84.8 | -8.5 | 172.4 | -70.9 | -13.4 | 0 | 0 | 0 | 112.2 | K164 E166 K171 R172 | K164-D168 VanDerWaalsContact CE-OD2 3.23Å; K164-D168 WeakPolarHBondContact CE-OD2 3.42Å; K164-D168 WeakPolarHBondContact CG-OD2 3.38Å; K164-D168 WeakPolarHBondContact O-CB 3.23Å; K164-D168 PolarHBondContact O-N 3.01Å; E166-D168 VanDerWaalsContact C-N 3.33Å; E166-D168 PolarHBondContact O-N 3.02Å; D168-K171 IonicContact OD1-NZ 2.64Å; D168-K171 PolarHBondContact OD1-NZ 3.3Å; D168-R172 WeakPolarHBondContact O-CD 3.21Å; D168-R172 VanDerWaalsContact O-CG 3.25Å; D168-R172 WeakPolarHBondContact O-CG 3.37Å; D168-R172 PolarHBondContact O-NE 3.14Å |
| 169 | G | 68.6 | Low | 74.4 | Confident | 21 Ų | 21 | 95.6 Ų | 95.6 | 22% | 0.216 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -84.8 | -57.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R165 E166 A167 K171 R172 D173 | R165-G169 PolarHBondContact O-N 3.1Å; E166-G169 WeakPolarHBondContact O-CA 3.4Å; E166-G169 PolarHBondContact O-N 3.24Å; A167-G169 VanDerWaalsContact C-N 3.33Å; G169-K171 PolarHBondContact O-N 3.48Å; G169-K171 VanDerWaalsContact O-N 3.14Å; G169-R172 WeakPolarHBondContact O-CA 3.45Å; G169-R172 VanDerWaalsContact O-CB 3.3Å; G169-R172 WeakPolarHBondContact O-CB 3.43Å; G169-R172 PolarHBondContact O-N 2.87Å; G169-D173 PolarHBondContact O-N 2.95Å |
| 170 | E | 73.4 | Confident | 76.2 | Confident | 123 Ų | 123 | 96 Ų | 96 | 58% | 0.575 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -48.8 | -42.8 | 175.1 | -175.7 | -169.5 | 94.4 | 0 | 0 | 112.5 | E166 R172 D173 L174 | E166-E170 PolarHBondContact O-N 3.49Å; E170-R172 VanDerWaalsContact C-N 3.34Å; E170-R172 PolarHBondContact O-N 2.95Å; E170-D173 PolarHBondContact O-N 3.49Å; E170-L174 HydrophobicContact CG-CD1 4.41Å; E170-L174 WeakPolarHBondContact O-CB 3.13Å; E170-L174 WeakPolarHBondContact O-CG 3.3Å; E170-L174 PolarHBondContact O-N 3.34Å |
| 171 | K | 74 | Confident | 77.9 | Confident | 106 Ų | 106 | 91.6 Ų | 91.6 | 46% | 0.461 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.9 | -29.7 | 173.9 | -73.7 | -179.1 | -145.6 | 93.7 | 0 | 114.3 | A167 D168 G169 V175 | A167-K171 VanDerWaalsContact C-NZ 3.3Å; A167-K171 WeakPolarHBondContact O-CB 3.21Å; A167-K171 WeakPolarHBondContact O-CE 3.46Å; A167-K171 WeakPolarHBondContact O-CG 3.4Å; A167-K171 PolarHBondContact O-N 3.2Å; A167-K171 PolarHBondContact O-NZ 3.03Å; D168-K171 IonicContact OD1-NZ 2.64Å; D168-K171 PolarHBondContact OD1-NZ 3.3Å; G169-K171 PolarHBondContact O-N 3.48Å; G169-K171 VanDerWaalsContact O-N 3.14Å; K171-V175 WeakPolarHBondContact O-CB 3.45Å; K171-V175 WeakPolarHBondContact O-CG2 3.26Å; K171-V175 PolarHBondContact O-N 2.97Å; K171-V175 VanDerWaalsContact O-N 3.1Å |
| 172 | R | 68.3 | Low | 79.5 | Confident | 178 Ų | 178 | 88.7 Ų | 88.7 | 67% | 0.672 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -75.1 | -43.2 | 175 | -71 | 167.4 | -173.7 | 179.1 | 2.7 | 110.2 | D168 G169 E170 L174 V175 E176 | D168-R172 WeakPolarHBondContact O-CD 3.21Å; D168-R172 VanDerWaalsContact O-CG 3.25Å; D168-R172 WeakPolarHBondContact O-CG 3.37Å; D168-R172 PolarHBondContact O-NE 3.14Å; G169-R172 WeakPolarHBondContact O-CA 3.45Å; G169-R172 VanDerWaalsContact O-CB 3.3Å; G169-R172 WeakPolarHBondContact O-CB 3.43Å; G169-R172 PolarHBondContact O-N 2.87Å; E170-R172 VanDerWaalsContact C-N 3.34Å; E170-R172 PolarHBondContact O-N 2.95Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-L174 PolarHBondContact O-N 3.45Å; R172-V175 PolarHBondContact O-N 3.33Å; R172-E176 VanDerWaalsContact O-CB 3.32Å; R172-E176 WeakPolarHBondContact O-CB 3.41Å; R172-E176 PolarHBondContact O-N 2.92Å |
| 173 | D | 83.1 | Confident | 81 | Confident | 106 Ų | 106 | 82.5 Ų | 82.5 | 57% | 0.567 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.2 | -43.1 | 179.1 | -53.4 | -27.1 | 0 | 0 | 0 | 110 | G169 E170 E176 L177 | G169-D173 PolarHBondContact O-N 2.95Å; E170-D173 PolarHBondContact O-N 3.49Å; D173-E176 PolarHBondContact O-N 2.95Å; D173-L177 VanDerWaalsContact O-CB 3.24Å; D173-L177 WeakPolarHBondContact O-CB 3.47Å; D173-L177 PolarHBondContact O-N 2.98Å |
| 174 | L | 86.4 | Confident | 82.3 | Confident | 88 Ų | 88 | 80.2 Ų | 80.2 | 46% | 0.461 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 171 | -74.1 | 170.4 | 0 | 0 | 0 | 113.3 | E170 R172 E176 L177 W178 | E170-L174 HydrophobicContact CG-CD1 4.41Å; E170-L174 WeakPolarHBondContact O-CB 3.13Å; E170-L174 WeakPolarHBondContact O-CG 3.3Å; E170-L174 PolarHBondContact O-N 3.34Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-L174 PolarHBondContact O-N 3.45Å; L174-E176 VanDerWaalsContact C-N 3.34Å; L174-L177 PolarHBondContact O-N 3.36Å; L174-W178 WeakPolarHBondContact O-CB 3.37Å; L174-W178 VanDerWaalsContact O-CD1 3.24Å; L174-W178 PolarHBondContact O-N 3.3Å |
| 175 | V | 89.8 | Confident | 83.7 | Confident | 96 Ų | 96 | 73.9 Ų | 73.9 | 58% | 0.582 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -66.4 | -37 | 178 | 164.3 | 0 | 0 | 0 | 0 | 111.5 | K171 R172 T179 | K171-V175 WeakPolarHBondContact O-CB 3.45Å; K171-V175 WeakPolarHBondContact O-CG2 3.26Å; K171-V175 PolarHBondContact O-N 2.97Å; K171-V175 VanDerWaalsContact O-N 3.1Å; R172-V175 PolarHBondContact O-N 3.33Å; V175-T179 VanDerWaalsContact O-CB 3.24Å; V175-T179 WeakPolarHBondContact O-CB 3.28Å; V175-T179 PolarHBondContact O-N 3.44Å; V175-T179 PolarHBondContact O-OG1 3.42Å |
| 176 | E | 90.6 | Very high | 85 | Confident | 112 Ų | 112 | 70 Ų | 70 | 52% | 0.523 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.5 | -49.1 | 175.5 | 177.2 | 152.5 | -171.3 | 0 | 0 | 110.7 | R172 D173 L174 W178 T179 Q180 | R172-E176 VanDerWaalsContact O-CB 3.32Å; R172-E176 WeakPolarHBondContact O-CB 3.41Å; R172-E176 PolarHBondContact O-N 2.92Å; D173-E176 PolarHBondContact O-N 2.95Å; L174-E176 VanDerWaalsContact C-N 3.34Å; E176-W178 PolarHBondContact O-N 2.98Å; E176-T179 CarbonylContact O-C 3.6Å; E176-T179 PolarHBondContact O-N 3.33Å; E176-Q180 HydrophobicContact CG-CG 4.14Å; E176-Q180 VanDerWaalsContact CG-NE2 3.31Å; E176-Q180 WeakPolarHBondContact O-CB 3.47Å; E176-Q180 WeakPolarHBondContact O-CG 3.36Å; E176-Q180 PolarHBondContact O-N 3.28Å; E176-Q180 PolarHBondContact OE1-NE2 3.42Å |
| 177 | L | 91.3 | Very high | 86 | Confident | 35 Ų | 35 | 69.7 Ų | 69.7 | 18% | 0.183 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -55.5 | -48.9 | 176.2 | -172 | 159.5 | 0 | 0 | 0 | 111.7 | D173 L174 T179 Q180 A181 L373 L430 | D173-L177 VanDerWaalsContact O-CB 3.24Å; D173-L177 WeakPolarHBondContact O-CB 3.47Å; D173-L177 PolarHBondContact O-N 2.98Å; L174-L177 PolarHBondContact O-N 3.36Å; L177-T179 VanDerWaalsContact C-N 3.33Å; L177-T179 PolarHBondContact O-N 3.2Å; L177-Q180 PolarHBondContact O-N 3.15Å; L177-A181 VanDerWaalsContact O-CB 3.32Å; L177-A181 WeakPolarHBondContact O-CB 3.42Å; L177-A181 PolarHBondContact O-N 2.9Å; L177-L373 HydrophobicContact CD1-CD2 4.22Å; L177-L373 HydrophobicContact CD2-CD2 4.24Å; L177-L430 HydrophobicContact CD2-CD2 3.43Å; L177-L430 VanDerWaalsContact CD2-CD2 3.43Å |
| 178 | W | 94.4 | Very high | 87.1 | Confident | 86 Ų | 86 | 68.1 Ų | 68.1 | 33% | 0.326 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.4 | -36.7 | 175.2 | -86.1 | 70.6 | 0 | 0 | 0 | 112.8 | L174 E176 I182 T427 L430 L431 | L174-W178 WeakPolarHBondContact O-CB 3.37Å; L174-W178 VanDerWaalsContact O-CD1 3.24Å; L174-W178 PolarHBondContact O-N 3.3Å; E176-W178 PolarHBondContact O-N 2.98Å; W178-I182 VanDerWaalsContact O-CB 3.29Å; W178-I182 WeakPolarHBondContact O-CB 3.48Å; W178-I182 VanDerWaalsContact O-CG1 3.28Å; W178-I182 WeakPolarHBondContact O-CG1 3.04Å; W178-I182 PolarHBondContact O-N 3.29Å; W178-T427 HydrophobicContact CH2-CG2 4.28Å; W178-T427 HydrophobicContact CZ3-CG2 4.46Å; W178-L430 HydrophobicContact CD2-CB 4.45Å; W178-L430 HydrophobicContact CD2-CD1 3.75Å; W178-L430 HydrophobicContact CE3-CD1 4.02Å; W178-L430 HydrophobicContact CG-CD1 4.07Å; W178-L430 HydrophobicContact CH2-CB 4.1Å; W178-L430 HydrophobicContact CZ2-CB 3.56Å; W178-L430 HydrophobicContact CZ2-CD1 4.33Å; W178-L430 HydrophobicContact CZ3-CD1 4.41Å; W178-L431 HydrophobicContact CH2-CD1 4.44Å; W178-L431 HydrophobicContact CH2-CD2 3.77Å; W178-L431 HydrophobicContact CH2-CG 3.8Å; W178-L431 HydrophobicContact CZ2-CD2 3.72Å; W178-L431 HydrophobicContact CZ2-CG 3.99Å |
| 179 | T | 94.8 | Very high | 88.2 | Confident | 96 Ų | 96 | 65.7 Ų | 65.7 | 59% | 0.589 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -70.4 | -39.9 | 177.7 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | V175 E176 L177 G183 | V175-T179 VanDerWaalsContact O-CB 3.24Å; V175-T179 WeakPolarHBondContact O-CB 3.28Å; V175-T179 PolarHBondContact O-N 3.44Å; V175-T179 PolarHBondContact O-OG1 3.42Å; E176-T179 CarbonylContact O-C 3.6Å; E176-T179 PolarHBondContact O-N 3.33Å; L177-T179 VanDerWaalsContact C-N 3.33Å; L177-T179 PolarHBondContact O-N 3.2Å; T179-G183 WeakPolarHBondContact O-CA 3.35Å; T179-G183 PolarHBondContact O-N 3.05Å |
| 180 | Q | 94.1 | Very high | 89 | Confident | 56 Ų | 56 | 67.2 Ų | 67.2 | 26% | 0.262 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.2 | -51.1 | 176.9 | -70.1 | -179.6 | 9.9 | 0 | 0 | 110.7 | E176 L177 G183 A184 F372 P376 | E176-Q180 HydrophobicContact CG-CG 4.14Å; E176-Q180 VanDerWaalsContact CG-NE2 3.31Å; E176-Q180 WeakPolarHBondContact O-CB 3.47Å; E176-Q180 WeakPolarHBondContact O-CG 3.36Å; E176-Q180 PolarHBondContact O-N 3.28Å; E176-Q180 PolarHBondContact OE1-NE2 3.42Å; L177-Q180 PolarHBondContact O-N 3.15Å; Q180-G183 PolarHBondContact O-N 3.2Å; Q180-A184 WeakPolarHBondContact O-CB 2.9Å; Q180-A184 PolarHBondContact O-N 2.83Å; Q180-F372 HydrophobicContact CB-CD1 3.94Å; Q180-F372 HydrophobicContact CB-CE1 3.66Å; Q180-F372 HydrophobicContact CB-CZ 4.25Å; Q180-P376 VanDerWaalsContact OE1-CB 3.3Å |
| 181 | A | 95 | Very high | 89.5 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.3 | -51.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L177 G183 A184 T185 F372 T426 L430 | L177-A181 VanDerWaalsContact O-CB 3.32Å; L177-A181 WeakPolarHBondContact O-CB 3.42Å; L177-A181 PolarHBondContact O-N 2.9Å; A181-G183 VanDerWaalsContact C-N 3.29Å; A181-G183 PolarHBondContact O-N 3.18Å; A181-A184 WeakPolarHBondContact O-CB 3.44Å; A181-A184 PolarHBondContact O-N 3.47Å; A181-T185 PolarHBondContact O-N 3.46Å; A181-T185 PolarHBondContact O-OG1 3.43Å; A181-F372 HydrophobicContact CB-CB 3.99Å; A181-F372 HydrophobicContact CB-CD2 3.91Å; A181-F372 HydrophobicContact CB-CG 4.03Å; A181-T426 HydrophobicContact CB-CG2 3.97Å; A181-L430 HydrophobicContact CB-CD1 3.9Å; A181-L430 HydrophobicContact CB-CD2 4.44Å |
| 182 | I | 95.9 | Very high | 89.5 | Confident | 40 Ų | 40 | 57.4 Ų | 57.4 | 21% | 0.205 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66 | -32.9 | 177 | -62.2 | -65.5 | 0 | 0 | 0 | 111.5 | W178 T185 L186 L423 T426 | W178-I182 VanDerWaalsContact O-CB 3.29Å; W178-I182 WeakPolarHBondContact O-CB 3.48Å; W178-I182 VanDerWaalsContact O-CG1 3.28Å; W178-I182 WeakPolarHBondContact O-CG1 3.04Å; W178-I182 PolarHBondContact O-N 3.29Å; I182-T185 PolarHBondContact O-N 2.87Å; I182-L186 HydrophobicContact CG2-CD1 4.06Å; I182-L186 HydrophobicContact CG2-CG 4.38Å; I182-L186 WeakPolarHBondContact O-CB 3.37Å; I182-L186 VanDerWaalsContact O-CG 3.25Å; I182-L186 WeakPolarHBondContact O-CG 3.45Å; I182-L186 PolarHBondContact O-N 2.88Å; I182-L423 HydrophobicContact CD1-CD2 4.33Å; I182-L423 HydrophobicContact CG2-CD2 4.17Å; I182-T426 HydrophobicContact CD1-CG2 4.02Å |
| 183 | G | 95.7 | Very high | 90.1 | Very high | 38 Ų | 38 | 50.1 Ų | 50.1 | 39% | 0.392 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | T179 Q180 A181 L187 | T179-G183 WeakPolarHBondContact O-CA 3.35Å; T179-G183 PolarHBondContact O-N 3.05Å; Q180-G183 PolarHBondContact O-N 3.2Å; A181-G183 VanDerWaalsContact C-N 3.29Å; A181-G183 PolarHBondContact O-N 3.18Å; G183-L187 WeakPolarHBondContact O-CB 3.18Å; G183-L187 PolarHBondContact O-N 3.25Å |
| 184 | A | 95.3 | Very high | 89.8 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q180 A181 L186 L187 I188 I368 F372 T383 | Q180-A184 WeakPolarHBondContact O-CB 2.9Å; Q180-A184 PolarHBondContact O-N 2.83Å; A181-A184 WeakPolarHBondContact O-CB 3.44Å; A181-A184 PolarHBondContact O-N 3.47Å; A184-L186 VanDerWaalsContact C-N 3.33Å; A184-L186 PolarHBondContact O-N 2.85Å; A184-L187 WeakPolarHBondContact O-CA 3.03Å; A184-L187 WeakPolarHBondContact O-CB 3.37Å; A184-L187 PolarHBondContact O-N 2.82Å; A184-I188 PolarHBondContact O-N 3.38Å; A184-I368 HydrophobicContact CB-CG2 3.97Å; A184-F372 HydrophobicContact CB-CE2 3.63Å; A184-F372 HydrophobicContact CB-CZ 4.16Å; A184-T383 HydrophobicContact CB-CG2 3.62Å; A184-T383 VanDerWaalsContact CB-OG1 3.31Å; A184-T383 WeakPolarHBondContact CB-OG1 3.45Å |
| 185 | T | 95.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 176 | -45.8 | 0 | 0 | 0 | 0 | 111.5 | A181 I182 L187 I188 S189 A422 L423 T426 | A181-T185 PolarHBondContact O-N 3.46Å; A181-T185 PolarHBondContact O-OG1 3.43Å; I182-T185 PolarHBondContact O-N 2.87Å; T185-L187 VanDerWaalsContact C-N 3.28Å; T185-L187 PolarHBondContact O-N 3.34Å; T185-I188 WeakPolarHBondContact O-CG1 3.24Å; T185-S189 PolarHBondContact O-N 3.12Å; T185-S189 PolarHBondContact O-OG 2.77Å; T185-A422 VanDerWaalsContact CG2-C 3.46Å; T185-A422 HydrophobicContact CG2-CB 3.59Å; T185-L423 HydrophobicContact CG2-CD2 3.89Å; T185-L423 HydrophobicContact CG2-CG 4.2Å; T185-T426 WeakPolarHBondContact CG2-OG1 3.44Å; T185-T426 WeakPolarHBondContact OG1-CG2 3.37Å; T185-T426 PolarHBondContact OG1-OG1 2.95Å |
| 186 | L | 93.4 | Very high | 88.7 | Confident | 93 Ų | 93 | 44.1 Ų | 44.1 | 49% | 0.487 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.5 | -28 | 174 | -71 | 172.1 | 0 | 0 | 0 | 112.8 | I182 A184 A190 L423 | I182-L186 HydrophobicContact CG2-CD1 4.06Å; I182-L186 HydrophobicContact CG2-CG 4.38Å; I182-L186 WeakPolarHBondContact O-CB 3.37Å; I182-L186 VanDerWaalsContact O-CG 3.25Å; I182-L186 WeakPolarHBondContact O-CG 3.45Å; I182-L186 PolarHBondContact O-N 2.88Å; A184-L186 VanDerWaalsContact C-N 3.33Å; A184-L186 PolarHBondContact O-N 2.85Å; L186-A190 WeakPolarHBondContact O-CB 3.36Å; L186-A190 PolarHBondContact O-N 3.27Å; L186-L423 HydrophobicContact CD2-CD1 4.1Å; L186-L423 HydrophobicContact CD2-CD2 4.06Å; L186-L423 HydrophobicContact CG-CD2 4.18Å |
| 187 | L | 91.8 | Very high | 88 | Confident | 90 Ų | 90 | 46.1 Ų | 46.1 | 47% | 0.471 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -72.4 | -47.7 | 176 | 178.9 | 63.3 | 0 | 0 | 0 | 111.9 | G183 A184 T185 S189 A190 A191 | G183-L187 WeakPolarHBondContact O-CB 3.18Å; G183-L187 PolarHBondContact O-N 3.25Å; A184-L187 WeakPolarHBondContact O-CA 3.03Å; A184-L187 WeakPolarHBondContact O-CB 3.37Å; A184-L187 PolarHBondContact O-N 2.82Å; T185-L187 VanDerWaalsContact C-N 3.28Å; T185-L187 PolarHBondContact O-N 3.34Å; L187-S189 VanDerWaalsContact C-N 3.31Å; L187-S189 PolarHBondContact O-N 2.99Å; L187-A190 PolarHBondContact O-N 2.64Å; L187-A191 WeakPolarHBondContact O-CB 3.37Å; L187-A191 PolarHBondContact O-N 3.13Å |
| 188 | I | 91.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 178.4 | 62.2 | 161 | 0 | 0 | 0 | 110.7 | A184 T185 P192 D364 I368 T383 I386 L387 A422 | A184-I188 PolarHBondContact O-N 3.38Å; T185-I188 WeakPolarHBondContact O-CG1 3.24Å; I188-P192 WeakPolarHBondContact O-CD 3.11Å; I188-P192 WeakPolarHBondContact O-CG 3.23Å; I188-D364 HydrophobicContact CD1-CB 4.36Å; I188-I368 HydrophobicContact CD1-CD1 3.62Å; I188-I368 HydrophobicContact CG1-CD1 4.05Å; I188-I368 HydrophobicContact CG2-CD1 3.99Å; I188-T383 HydrophobicContact CG2-CG2 4.04Å; I188-I386 HydrophobicContact CB-CG2 4.27Å; I188-I386 HydrophobicContact CD1-CG2 3.65Å; I188-I386 HydrophobicContact CG2-CB 4.4Å; I188-I386 HydrophobicContact CG2-CG2 3.98Å; I188-L387 HydrophobicContact CG2-CB 4.22Å; I188-A422 HydrophobicContact CD1-CB 4.46Å |
| 189 | S | 89.4 | Confident | 86.3 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 5% | 0.049 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -74.6 | -33.6 | 178.3 | -54.5 | 0 | 0 | 0 | 0 | 112.9 | T185 L187 F193 A419 | T185-S189 PolarHBondContact O-N 3.12Å; T185-S189 PolarHBondContact O-OG 2.77Å; L187-S189 VanDerWaalsContact C-N 3.31Å; L187-S189 PolarHBondContact O-N 2.99Å; S189-F193 WeakPolarHBondContact O-CD2 3.02Å; S189-F193 WeakPolarHBondContact O-CE2 3.03Å; S189-A419 WeakPolarHBondContact OG-CB 3.04Å |
| 190 | A | 86.3 | Confident | 85 | Confident | 52 Ų | 52 | 46.4 Ų | 46.4 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -80.6 | -30.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L186 L187 | L186-A190 WeakPolarHBondContact O-CB 3.36Å; L186-A190 PolarHBondContact O-N 3.27Å; L187-A190 PolarHBondContact O-N 2.64Å |
| 191 | A | 82.7 | Confident | 83.6 | Confident | 21 Ų | 21 | 44.2 Ų | 44.2 | 17% | 0.174 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.4 | -42.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L187 F193 L194 L387 | L187-A191 WeakPolarHBondContact O-CB 3.37Å; L187-A191 PolarHBondContact O-N 3.13Å; A191-F193 VanDerWaalsContact C-N 3.28Å; A191-F193 PolarHBondContact O-N 3.04Å; A191-L194 WeakPolarHBondContact O-CB 3.41Å; A191-L194 PolarHBondContact O-N 3.3Å; A191-L194 VanDerWaalsContact O-N 3.07Å; A191-L387 HydrophobicContact CB-CD1 3.63Å |
| 192 | P | 75.4 | Confident | 81.8 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.013 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.8 | -36.9 | 176.4 | -24.9 | 33.4 | 0 | 0 | 0 | 113 | I188 L194 I195 L196 E390 V391 E394 | I188-P192 WeakPolarHBondContact O-CD 3.11Å; I188-P192 WeakPolarHBondContact O-CG 3.23Å; P192-L194 PolarHBondContact O-N 2.86Å; P192-L194 VanDerWaalsContact O-N 3.15Å; P192-I195 WeakPolarHBondContact O-CA 3.32Å; P192-I195 WeakPolarHBondContact O-CB 3.49Å; P192-I195 PolarHBondContact O-N 3.48Å; P192-L196 WeakPolarHBondContact O-CG 3.49Å; P192-L196 PolarHBondContact O-N 2.96Å; P192-E390 HydrophobicContact CG-CG 3.97Å; P192-V391 HydrophobicContact CB-CG2 4.45Å; P192-V391 HydrophobicContact CG-CG2 4.1Å; P192-E394 HydrophobicContact CB-CB 3.59Å; P192-E394 HydrophobicContact CB-CG 3.52Å; P192-E394 WeakPolarHBondContact CB-OE1 3.23Å; P192-E394 HydrophobicContact CG-CB 4.3Å; P192-E394 HydrophobicContact CG-CG 3.86Å |
| 193 | F | 79.4 | Confident | 79.7 | Confident | 25 Ų | 25 | 53.8 Ų | 53.8 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.2 | -30.2 | 175.9 | -67.9 | -62.6 | 0 | 0 | 0 | 114.2 | S189 A191 L196 F197 E394 M412 Q415 L416 | S189-F193 WeakPolarHBondContact O-CD2 3.02Å; S189-F193 WeakPolarHBondContact O-CE2 3.03Å; A191-F193 VanDerWaalsContact C-N 3.28Å; A191-F193 PolarHBondContact O-N 3.04Å; F193-L196 HydrophobicContact CD1-CD1 4.14Å; F193-L196 HydrophobicContact CE1-CD1 4.25Å; F193-F197 WeakPolarHBondContact O-CB 3.3Å; F193-F197 PolarHBondContact O-N 3.48Å; F193-E394 WeakPolarHBondContact CE2-OE1 3.39Å; F193-E394 VanDerWaalsContact CZ-OE1 3.23Å; F193-E394 WeakPolarHBondContact CZ-OE1 3.48Å; F193-M412 HydrophobicContact CD1-CB 4.24Å; F193-M412 HydrophobicContact CD1-CE 4.24Å; F193-M412 HydrophobicContact CE1-CB 4.35Å; F193-M412 VanDerWaalsContact CE1-O 3.23Å; F193-M412 WeakPolarHBondContact CE1-O 3.34Å; F193-Q415 HydrophobicContact CE1-CB 3.75Å; F193-Q415 HydrophobicContact CZ-CB 3.74Å; F193-L416 HydrophobicContact CD2-CD1 4.12Å; F193-L416 HydrophobicContact CE1-CB 4.29Å; F193-L416 HydrophobicContact CE2-CB 4.05Å; F193-L416 HydrophobicContact CE2-CD1 3.66Å; F193-L416 HydrophobicContact CE2-CG 4.43Å; F193-L416 HydrophobicContact CZ-CB 3.8Å; F193-L416 HydrophobicContact CZ-CD1 4.3Å; F193-L416 VanDerWaalsContact CZ-N 3.27Å |
| 194 | L | 77.4 | Confident | 77.8 | Confident | 127 Ų | 127 | 60.2 Ų | 60.2 | 67% | 0.665 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68.6 | -39.4 | 175 | -57.6 | 178.2 | 0 | 0 | 0 | 111.1 | A191 P192 | A191-L194 WeakPolarHBondContact O-CB 3.41Å; A191-L194 PolarHBondContact O-N 3.3Å; A191-L194 VanDerWaalsContact O-N 3.07Å; P192-L194 PolarHBondContact O-N 2.86Å; P192-L194 VanDerWaalsContact O-N 3.15Å |
| 195 | I | 76.5 | Confident | 76.5 | Confident | 38 Ų | 38 | 62 Ų | 62 | 20% | 0.195 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.5 | -48.4 | 176.4 | -60 | 175.2 | 0 | 0 | 0 | 109.8 | P192 F197 L198 V391 I395 | P192-I195 WeakPolarHBondContact O-CA 3.32Å; P192-I195 WeakPolarHBondContact O-CB 3.49Å; P192-I195 PolarHBondContact O-N 3.48Å; I195-F197 PolarHBondContact O-N 3.4Å; I195-L198 WeakPolarHBondContact O-CB 3.09Å; I195-L198 PolarHBondContact O-N 2.85Å; I195-V391 HydrophobicContact CD1-CB 4.32Å; I195-V391 HydrophobicContact CD1-CG1 3.55Å; I195-V391 HydrophobicContact CD1-CG2 3.73Å; I195-I395 HydrophobicContact CG2-CD1 4.28Å |
| 196 | L | 76.4 | Confident | 75.2 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.5 | -35 | 175.7 | -67.6 | 178.7 | 0 | 0 | 0 | 112.3 | P192 F193 L198 I199 E394 I395 F398 K408 M412 Q415 | P192-L196 WeakPolarHBondContact O-CG 3.49Å; P192-L196 PolarHBondContact O-N 2.96Å; F193-L196 HydrophobicContact CD1-CD1 4.14Å; F193-L196 HydrophobicContact CE1-CD1 4.25Å; L196-L198 VanDerWaalsContact C-N 3.28Å; L196-L198 PolarHBondContact O-N 3.43Å; L196-I199 HydrophobicContact CD2-CD1 3.93Å; L196-I199 PolarHBondContact O-N 2.74Å; L196-E394 HydrophobicContact CD1-CB 4.37Å; L196-I395 HydrophobicContact CD2-CG1 4.07Å; L196-F398 HydrophobicContact CD1-CB 4.35Å; L196-F398 HydrophobicContact CD2-CB 3.7Å; L196-F398 HydrophobicContact CD2-CD1 4.05Å; L196-F398 HydrophobicContact CD2-CG 3.84Å; L196-K408 WeakPolarHBondContact O-CE 3.31Å; L196-K408 PolarHBondContact O-NZ 2.99Å; L196-M412 HydrophobicContact CB-CE 4.17Å; L196-Q415 VanDerWaalsContact CD1-NE2 3.31Å |
| 197 | F | 77.1 | Confident | 74.2 | Confident | 153 Ų | 153 | 68 Ų | 68 | 67% | 0.671 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -58 | -39.6 | 175 | -175.9 | -97 | 0 | 0 | 0 | 112.2 | F193 I195 I199 K408 M412 | F193-F197 WeakPolarHBondContact O-CB 3.3Å; F193-F197 PolarHBondContact O-N 3.48Å; I195-F197 PolarHBondContact O-N 3.4Å; F197-I199 PolarHBondContact O-N 3.33Å; F197-K408 PolarHBondContact O-NZ 2.81Å; F197-M412 HydrophobicContact CB-CE 4.33Å |
| 198 | L | 74.1 | Confident | 73.5 | Confident | 128 Ų | 128 | 64.8 Ų | 64.8 | 67% | 0.67 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -71.2 | -23.8 | -178.2 | -60.5 | 172.3 | 0 | 0 | 0 | 114 | I195 L196 P200 | I195-L198 WeakPolarHBondContact O-CB 3.09Å; I195-L198 PolarHBondContact O-N 2.85Å; L196-L198 VanDerWaalsContact C-N 3.28Å; L196-L198 PolarHBondContact O-N 3.43Å; L198-P200 WeakPolarHBondContact O-CD 3.21Å |
| 199 | I | 74.6 | Confident | 73 | Confident | 5 Ų | 5 | 69.3 Ų | 69.3 | 3% | 0.026 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -69 | 121.7 | -176.9 | -49.6 | -177.6 | 0 | 0 | 0 | 111 | L40 L196 F197 V201 L215 I395 K408 | L40-I199 HydrophobicContact CD2-CG2 3.96Å; L196-I199 HydrophobicContact CD2-CD1 3.93Å; L196-I199 PolarHBondContact O-N 2.74Å; F197-I199 PolarHBondContact O-N 3.33Å; I199-V201 VanDerWaalsContact C-N 3.26Å; I199-V201 HydrophobicContact CB-CG2 4.27Å; I199-V201 HydrophobicContact CG2-CG2 3.51Å; I199-V201 PolarHBondContact O-N 3.12Å; I199-L215 HydrophobicContact CG2-CD1 4.2Å; I199-I395 HydrophobicContact CD1-CG1 4.27Å; I199-K408 PolarHBondContact O-NZ 3.17Å |
| 200 | P | 68 | Low | 72.8 | Confident | 91 Ų | 91 | 71.6 Ų | 71.6 | 59% | 0.591 | 39% | 0.385 | S | S | * | . | trans | -80.8 | 52 | -169.1 | 33.2 | -37.3 | 0 | 0 | 0 | 115.1 | L198 Q202 | L198-P200 WeakPolarHBondContact O-CD 3.21Å; P200-Q202 VanDerWaalsContact C-N 3.34Å; P200-Q202 PolarHBondContact O-N 3.01Å | ||
| 201 | V | 64.6 | Low | 72.7 | Confident | 10 Ų | 10 | 70 Ų | 70 | 6% | 0.061 | 37% | 0.369 | C | S | . | . | trans | -81.1 | 70.6 | -178.1 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | I199 H208 F398 V402 K408 | I199-V201 VanDerWaalsContact C-N 3.26Å; I199-V201 HydrophobicContact CB-CG2 4.27Å; I199-V201 HydrophobicContact CG2-CG2 3.51Å; I199-V201 PolarHBondContact O-N 3.12Å; V201-H208 WeakPolarHBondContact CG1-NE2 3.46Å; V201-F398 HydrophobicContact CB-CE1 4.06Å; V201-F398 HydrophobicContact CB-CZ 4.05Å; V201-F398 HydrophobicContact CG1-CE1 4.13Å; V201-F398 HydrophobicContact CG1-CZ 4.03Å; V201-F398 HydrophobicContact CG2-CE1 3.62Å; V201-F398 HydrophobicContact CG2-CZ 4.13Å; V201-V402 HydrophobicContact CG1-CG1 4Å; V201-V402 HydrophobicContact CG1-CG2 4.17Å; V201-K408 HydrophobicContact CB-CD 4.44Å | ||
| 202 | Q | 57.6 | Low | 72.9 | Confident | 175 Ų | 175 | 69.3 Ų | 69.3 | 82% | 0.818 | 36% | 0.363 | S | S | * | . | trans | -141.4 | 4.6 | -177.7 | -70 | -167.6 | 0.6 | 0 | 0 | 116.2 | P200 | P200-Q202 VanDerWaalsContact C-N 3.34Å; P200-Q202 PolarHBondContact O-N 3.01Å | ||
| 203 | S | 51 | Low | 73.5 | Confident | 66 Ų | 66 | 71 Ų | 71 | 46% | 0.462 | 37% | 0.369 | S | S | . | . | trans | -118.4 | 128.4 | -176.7 | -170.8 | 0 | 0 | 0 | 0 | 112.7 | S205 H208 | S203-S205 PolarHBondContact O-N 2.89Å; S203-H208 WeakPolarHBondContact O-CB 3.18Å; S203-H208 PolarHBondContact O-ND1 2.86Å; S203-H208 VanDerWaalsContact O-ND1 3.14Å | ||
| 204 | N | 57.2 | Low | 74 | Confident | 172 Ų | 172 | 70.4 Ų | 70.4 | 92% | 0.92 | 37% | 0.368 | S | S | * | . | trans | -80.3 | 61.4 | 169.4 | -77.6 | -20.3 | 0 | 0 | 0 | 110.6 | ||||
| 205 | S | 67.3 | Low | 74.5 | Confident | 46 Ų | 46 | 65 Ų | 65 | 32% | 0.322 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -120.9 | 154.9 | 178.7 | 177.1 | 0 | 0 | 0 | 0 | 110.1 | S203 Q207 H208 | S203-S205 PolarHBondContact O-N 2.89Å; S205-Q207 PolarHBondContact O-N 3.36Å; S205-Q207 VanDerWaalsContact O-N 3.16Å; S205-H208 VanDerWaalsContact O-CB 3.27Å; S205-H208 WeakPolarHBondContact O-CB 3.29Å; S205-H208 PolarHBondContact O-N 3.43Å |
| 206 | D | 68.3 | Low | 75.1 | Confident | 132 Ų | 132 | 63.5 Ų | 63.5 | 71% | 0.706 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -57.1 | -32.5 | 179.9 | -42.7 | -73.7 | 0 | 0 | 0 | 112.2 | H208 Q209 N210 | D206-H208 PolarHBondContact O-N 2.72Å; D206-Q209 PolarHBondContact O-N 3.48Å; D206-Q209 VanDerWaalsContact O-N 3.12Å; D206-N210 PolarHBondContact O-N 2.94Å |
| 207 | Q | 72.1 | Confident | 75.9 | Confident | 88 Ų | 88 | 63.7 Ų | 63.7 | 41% | 0.411 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.8 | -32 | 173.6 | -174.4 | 172.9 | 20.9 | 0 | 0 | 113.1 | S205 L211 | S205-Q207 PolarHBondContact O-N 3.36Å; S205-Q207 VanDerWaalsContact O-N 3.16Å; Q207-L211 WeakPolarHBondContact O-CB 3.41Å; Q207-L211 PolarHBondContact O-N 3.05Å |
| 208 | H | 77.3 | Confident | 76.6 | Confident | 23 Ų | 23 | 57 Ų | 57 | 11% | 0.106 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -73.9 | -35.3 | 176.8 | 174.8 | -124.2 | 0 | 0 | 0 | 112 | V201 S203 S205 D206 L211 L212 | V201-H208 WeakPolarHBondContact CG1-NE2 3.46Å; S203-H208 WeakPolarHBondContact O-CB 3.18Å; S203-H208 PolarHBondContact O-ND1 2.86Å; S203-H208 VanDerWaalsContact O-ND1 3.14Å; S205-H208 VanDerWaalsContact O-CB 3.27Å; S205-H208 WeakPolarHBondContact O-CB 3.29Å; S205-H208 PolarHBondContact O-N 3.43Å; D206-H208 PolarHBondContact O-N 2.72Å; H208-L211 PolarHBondContact O-N 2.83Å; H208-L212 WeakPolarHBondContact O-CB 3.47Å; H208-L212 WeakPolarHBondContact O-CG 3.44Å; H208-L212 PolarHBondContact O-N 2.99Å |
| 209 | Q | 80.9 | Confident | 77.2 | Confident | 94 Ų | 94 | 51 Ų | 51 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.7 | -42.5 | 173.9 | -64.9 | -63.3 | -40.5 | 0 | 0 | 111.2 | D206 L212 K213 | D206-Q209 PolarHBondContact O-N 3.48Å; D206-Q209 VanDerWaalsContact O-N 3.12Å; Q209-L212 PolarHBondContact O-N 3.5Å; Q209-K213 PolarHBondContact O-N 2.93Å |
| 210 | N | 85.5 | Confident | 78 | Confident | 56 Ų | 56 | 50.8 Ų | 50.8 | 30% | 0.299 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 175.1 | -70.9 | -5.4 | 0 | 0 | 0 | 112.3 | D206 V214 Q472 | D206-N210 PolarHBondContact O-N 2.94Å; N210-V214 WeakPolarHBondContact O-CG2 3.22Å; N210-V214 PolarHBondContact O-N 2.7Å; N210-V214 VanDerWaalsContact O-N 3.12Å; N210-Q472 PolarHBondContact O-NE2 3.04Å |
| 211 | L | 84.5 | Confident | 79.2 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 9% | 0.094 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65 | -46.3 | 173 | 176.5 | 61.7 | 0 | 0 | 0 | 111.6 | L40 Q207 H208 K213 V214 L215 | L40-L211 HydrophobicContact CD2-CD1 4.08Å; Q207-L211 WeakPolarHBondContact O-CB 3.41Å; Q207-L211 PolarHBondContact O-N 3.05Å; H208-L211 PolarHBondContact O-N 2.83Å; L211-K213 VanDerWaalsContact C-N 3.33Å; L211-K213 PolarHBondContact O-N 3.06Å; L211-V214 PolarHBondContact O-N 2.94Å; L211-V214 VanDerWaalsContact O-N 3.15Å; L211-L215 HydrophobicContact CD1-CD1 4.13Å; L211-L215 HydrophobicContact CD1-CD2 4.47Å; L211-L215 HydrophobicContact CD1-CG 4.03Å; L211-L215 HydrophobicContact CG-CD1 4Å; L211-L215 HydrophobicContact CG-CG 4.33Å; L211-L215 WeakPolarHBondContact O-CG 3.27Å; L211-L215 PolarHBondContact O-N 2.69Å |
| 212 | L | 84.9 | Confident | 80.5 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.1 | -44.2 | 176.9 | -79.9 | 172.1 | 0 | 0 | 0 | 111.2 | H208 Q209 V214 L215 L216 A399 V402 | H208-L212 WeakPolarHBondContact O-CB 3.47Å; H208-L212 WeakPolarHBondContact O-CG 3.44Å; H208-L212 PolarHBondContact O-N 2.99Å; Q209-L212 PolarHBondContact O-N 3.5Å; L212-V214 PolarHBondContact O-N 3.08Å; L212-L215 PolarHBondContact O-N 3.18Å; L212-L216 WeakPolarHBondContact O-CB 3.41Å; L212-L216 PolarHBondContact O-N 3.46Å; L212-A399 HydrophobicContact CD2-CB 4.41Å; L212-V402 HydrophobicContact CD1-CG1 4.3Å; L212-V402 HydrophobicContact CD2-CG1 4.18Å |
| 213 | K | 88.7 | Confident | 82.1 | Confident | 36 Ų | 36 | 37.9 Ų | 37.9 | 16% | 0.157 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.9 | -41.1 | 174.4 | -76.2 | -157.9 | 173.1 | -158.4 | 0 | 113.1 | Q209 L211 L216 S217 L463 A465 S468 E476 | Q209-K213 PolarHBondContact O-N 2.93Å; L211-K213 VanDerWaalsContact C-N 3.33Å; L211-K213 PolarHBondContact O-N 3.06Å; K213-L216 PolarHBondContact O-N 3.19Å; K213-S217 VanDerWaalsContact O-CB 3.26Å; K213-S217 WeakPolarHBondContact O-CB 3.37Å; K213-S217 PolarHBondContact O-N 3.38Å; K213-L463 HydrophobicContact CB-CD2 4.16Å; K213-L463 HydrophobicContact CG-CD2 4.36Å; K213-L463 PolarHBondContact NZ-O 3.38Å; K213-L463 VanDerWaalsContact O-CD2 3.24Å; K213-L463 WeakPolarHBondContact O-CD2 3.34Å; K213-A465 PolarHBondContact NZ-O 3.28Å; K213-S468 PolarHBondContact NZ-OG 3.37Å; K213-S468 VanDerWaalsContact NZ-OG 3.12Å; K213-E476 HydrophobicContact CB-CG 4.21Å; K213-E476 VanDerWaalsContact CB-OE1 3.28Å; K213-E476 WeakPolarHBondContact CB-OE1 3.5Å; K213-E476 WeakPolarHBondContact CD-OE1 3.16Å |
| 214 | V | 90.4 | Very high | 84.2 | Confident | 13 Ų | 13 | 36.3 Ų | 36.3 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -45.6 | 176.7 | 168.2 | 0 | 0 | 0 | 0 | 111.5 | N210 L211 L212 S217 F218 M475 A479 | N210-V214 WeakPolarHBondContact O-CG2 3.22Å; N210-V214 PolarHBondContact O-N 2.7Å; N210-V214 VanDerWaalsContact O-N 3.12Å; L211-V214 PolarHBondContact O-N 2.94Å; L211-V214 VanDerWaalsContact O-N 3.15Å; L212-V214 PolarHBondContact O-N 3.08Å; V214-S217 PolarHBondContact O-N 3.32Å; V214-F218 PolarHBondContact O-N 3.19Å; V214-M475 HydrophobicContact CG2-CB 4.08Å; V214-A479 HydrophobicContact CG1-CB 3.98Å |
| 215 | L | 88.3 | Confident | 85.9 | Confident | 13 Ų | 13 | 28.2 Ų | 28.2 | 7% | 0.068 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.3 | -42.2 | 176.3 | -66.3 | 174.5 | 0 | 0 | 0 | 111.9 | I199 L211 L212 S217 F218 A219 I395 A399 | I199-L215 HydrophobicContact CG2-CD1 4.2Å; L211-L215 HydrophobicContact CD1-CD1 4.13Å; L211-L215 HydrophobicContact CD1-CD2 4.47Å; L211-L215 HydrophobicContact CD1-CG 4.03Å; L211-L215 HydrophobicContact CG-CD1 4Å; L211-L215 HydrophobicContact CG-CG 4.33Å; L211-L215 WeakPolarHBondContact O-CG 3.27Å; L211-L215 PolarHBondContact O-N 2.69Å; L212-L215 PolarHBondContact O-N 3.18Å; L215-S217 VanDerWaalsContact C-N 3.34Å; L215-F218 WeakPolarHBondContact O-CB 3.36Å; L215-F218 PolarHBondContact O-N 2.89Å; L215-A219 WeakPolarHBondContact O-CB 3.21Å; L215-A219 PolarHBondContact O-N 3.48Å; L215-I395 HydrophobicContact CD2-CG2 3.95Å; L215-A399 HydrophobicContact CB-CB 4.23Å |
| 216 | L | 89.2 | Confident | 87.1 | Confident | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.042 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.9 | -29.2 | 179.3 | -177.3 | 64.9 | 0 | 0 | 0 | 112.4 | L212 K213 A219 S220 I400 V459 L463 | L212-L216 WeakPolarHBondContact O-CB 3.41Å; L212-L216 PolarHBondContact O-N 3.46Å; K213-L216 PolarHBondContact O-N 3.19Å; L216-A219 WeakPolarHBondContact O-CB 3.25Å; L216-S220 PolarHBondContact O-N 3.1Å; L216-I400 HydrophobicContact CD1-CD1 4.2Å; L216-I400 HydrophobicContact CD1-CG1 3.47Å; L216-I400 VanDerWaalsContact CD1-CG1 3.47Å; L216-V459 HydrophobicContact CD1-CB 4.3Å; L216-V459 HydrophobicContact CD1-CG1 3.63Å; L216-V459 HydrophobicContact CD1-CG2 3.97Å; L216-V459 HydrophobicContact CG-CG1 3.77Å; L216-V459 WeakPolarHBondContact O-CG1 3.49Å; L216-L463 HydrophobicContact CB-CD2 3.95Å; L216-L463 HydrophobicContact CD2-CD2 3.91Å; L216-L463 HydrophobicContact CD2-CG 4.15Å; L216-L463 HydrophobicContact CG-CD2 3.88Å; L216-L463 HydrophobicContact CG-CG 4.13Å |
| 217 | S | 92.4 | Very high | 88.3 | Confident | 4 Ų | 4 | 19.7 Ų | 19.7 | 3% | 0.028 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -76.5 | -39.9 | 173.4 | -156.4 | 0 | 0 | 0 | 0 | 111.8 | K213 V214 L215 A219 S220 G221 E476 L480 | K213-S217 VanDerWaalsContact O-CB 3.26Å; K213-S217 WeakPolarHBondContact O-CB 3.37Å; K213-S217 PolarHBondContact O-N 3.38Å; V214-S217 PolarHBondContact O-N 3.32Å; L215-S217 VanDerWaalsContact C-N 3.34Å; S217-A219 VanDerWaalsContact C-N 3.35Å; S217-S220 PolarHBondContact O-N 3.15Å; S217-G221 PolarHBondContact O-N 3.32Å; S217-G221 VanDerWaalsContact O-N 3.08Å; S217-E476 VanDerWaalsContact CB-O 3.3Å; S217-E476 WeakPolarHBondContact CB-O 3.36Å; S217-E476 VanDerWaalsContact OG-C 3.31Å; S217-E476 PolarHBondContact OG-O 3.38Å; S217-L480 VanDerWaalsContact O-CA 3.27Å; S217-L480 WeakPolarHBondContact O-CA 3.42Å; S217-L480 WeakPolarHBondContact O-CB 3.5Å |
| 218 | F | 91.3 | Very high | 89.3 | Confident | 12 Ų | 12 | 20.9 Ų | 20.9 | 5% | 0.053 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.9 | -45.9 | 167.6 | 168.3 | -107.5 | 0 | 0 | 0 | 111.8 | V214 L215 S220 G221 G222 P392 I395 A479 F482 M486 | V214-F218 PolarHBondContact O-N 3.19Å; L215-F218 WeakPolarHBondContact O-CB 3.36Å; L215-F218 PolarHBondContact O-N 2.89Å; F218-S220 PolarHBondContact O-N 3.1Å; F218-G221 CarbonylContact O-C 3.57Å; F218-G221 WeakPolarHBondContact O-CA 3.48Å; F218-G221 PolarHBondContact O-N 3.03Å; F218-G222 PolarHBondContact O-N 3.08Å; F218-P392 HydrophobicContact CE1-CB 4.3Å; F218-P392 HydrophobicContact CZ-CB 4.07Å; F218-P392 HydrophobicContact CZ-CG 4.28Å; F218-I395 HydrophobicContact CD1-CG2 4.06Å; F218-I395 HydrophobicContact CE1-CB 4.38Å; F218-I395 HydrophobicContact CE1-CG2 4.04Å; F218-A479 WeakPolarHBondContact CA-O 3.28Å; F218-A479 HydrophobicContact CB-CB 4.12Å; F218-F482 AromaticContact CD2-CD1 3.71Å; F218-F482 HydrophobicContact CD2-CD1 3.71Å; F218-F482 HydrophobicContact CD2-CE1 4.12Å; F218-F482 AromaticContact CE2-CD1 3.58Å; F218-F482 HydrophobicContact CE2-CD1 3.58Å; F218-F482 AromaticContact CE2-CE1 3.52Å; F218-F482 HydrophobicContact CE2-CE1 3.52Å; F218-F482 HydrophobicContact CZ-CE1 4.36Å; F218-M486 HydrophobicContact CE2-CE 3.5Å; F218-M486 VanDerWaalsContact CE2-CE 3.5Å; F218-M486 HydrophobicContact CE2-SD 3.82Å; F218-M486 HydrophobicContact CZ-CE 3.56Å; F218-M486 HydrophobicContact CZ-SD 3.84Å |
| 219 | A | 87.6 | Confident | 90 | Very high | 3 Ų | 3 | 23 Ų | 23 | 3% | 0.025 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.9 | -45.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L215 L216 S217 G221 G222 L223 | L215-A219 WeakPolarHBondContact O-CB 3.21Å; L215-A219 PolarHBondContact O-N 3.48Å; L216-A219 WeakPolarHBondContact O-CB 3.25Å; S217-A219 VanDerWaalsContact C-N 3.35Å; A219-G221 PolarHBondContact O-N 2.93Å; A219-G222 PolarHBondContact O-N 3.36Å; A219-L223 WeakPolarHBondContact O-CB 3.23Å; A219-L223 WeakPolarHBondContact O-CG 3.21Å; A219-L223 PolarHBondContact O-N 3Å |
| 220 | S | 92.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.7 | -28.8 | 174.4 | -167.4 | 0 | 0 | 0 | 0 | 112.8 | L216 S217 F218 L224 L460 | L216-S220 PolarHBondContact O-N 3.1Å; S217-S220 PolarHBondContact O-N 3.15Å; F218-S220 PolarHBondContact O-N 3.1Å; S220-L224 VanDerWaalsContact O-CB 3.31Å; S220-L224 WeakPolarHBondContact O-CB 3.46Å; S220-L224 WeakPolarHBondContact O-CD1 3.25Å; S220-L224 WeakPolarHBondContact O-CG 3.23Å; S220-L224 PolarHBondContact O-N 2.91Å; S220-L460 WeakPolarHBondContact OG-CG 3.49Å |
| 221 | G | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -74 | -42.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S217 F218 A219 G225 L480 V484 | S217-G221 PolarHBondContact O-N 3.32Å; S217-G221 VanDerWaalsContact O-N 3.08Å; F218-G221 CarbonylContact O-C 3.57Å; F218-G221 WeakPolarHBondContact O-CA 3.48Å; F218-G221 PolarHBondContact O-N 3.03Å; A219-G221 PolarHBondContact O-N 2.93Å; G221-G225 WeakPolarHBondContact O-CA 3.42Å; G221-G225 PolarHBondContact O-N 3.37Å; G221-L480 WeakPolarHBondContact CA-O 3.42Å; G221-V484 WeakPolarHBondContact O-CG2 3.48Å; G221-V484 PolarHBondContact O-N 3.47Å |
| 222 | G | 91.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 2% | 0.021 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.6 | -61.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F218 A219 L224 G225 D226 | F218-G222 PolarHBondContact O-N 3.08Å; A219-G222 PolarHBondContact O-N 3.36Å; G222-L224 VanDerWaalsContact C-N 3.25Å; G222-L224 PolarHBondContact O-N 3.39Å; G222-L224 VanDerWaalsContact O-N 3.15Å; G222-G225 CarbonylContact O-C 3.57Å; G222-G225 WeakPolarHBondContact O-CA 3.4Å; G222-G225 PolarHBondContact O-N 2.91Å; G222-D226 WeakPolarHBondContact O-CB 3.36Å; G222-D226 PolarHBondContact O-N 2.93Å |
| 223 | L | 91.3 | Very high | 91 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.016 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.3 | -32 | -178.4 | -69.7 | 165.1 | 0 | 0 | 0 | 114.2 | A219 A227 I400 F451 I454 A455 | A219-L223 WeakPolarHBondContact O-CB 3.23Å; A219-L223 WeakPolarHBondContact O-CG 3.21Å; A219-L223 PolarHBondContact O-N 3Å; L223-A227 WeakPolarHBondContact O-CB 3.27Å; L223-A227 PolarHBondContact O-N 3.35Å; L223-I400 HydrophobicContact CD1-CD1 4.35Å; L223-F451 HydrophobicContact CB-CB 4.5Å; L223-F451 HydrophobicContact CD2-CB 4.18Å; L223-F451 HydrophobicContact CD2-CD1 3.49Å; L223-F451 VanDerWaalsContact CD2-CD1 3.49Å; L223-F451 HydrophobicContact CD2-CD2 4.1Å; L223-F451 HydrophobicContact CD2-CE1 3.71Å; L223-F451 HydrophobicContact CD2-CE2 4.3Å; L223-F451 HydrophobicContact CD2-CG 3.69Å; L223-F451 HydrophobicContact CD2-CZ 4.1Å; L223-I454 HydrophobicContact CD1-CG2 4.02Å; L223-A455 HydrophobicContact CB-CB 4.24Å |
| 224 | L | 94.4 | Very high | 90.8 | Very high | 32 Ų | 32 | 20.7 Ų | 20.7 | 17% | 0.168 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -84.6 | -34.2 | 174.3 | -68.8 | 173.8 | 0 | 0 | 0 | 112.5 | S220 G222 F228 V452 A455 T456 L460 | S220-L224 VanDerWaalsContact O-CB 3.31Å; S220-L224 WeakPolarHBondContact O-CB 3.46Å; S220-L224 WeakPolarHBondContact O-CD1 3.25Å; S220-L224 WeakPolarHBondContact O-CG 3.23Å; S220-L224 PolarHBondContact O-N 2.91Å; G222-L224 VanDerWaalsContact C-N 3.25Å; G222-L224 PolarHBondContact O-N 3.39Å; G222-L224 VanDerWaalsContact O-N 3.15Å; L224-F228 HydrophobicContact CD2-CD2 4.44Å; L224-F228 HydrophobicContact CD2-CE2 4.1Å; L224-F228 WeakPolarHBondContact O-CB 3.02Å; L224-F228 WeakPolarHBondContact O-CD2 3.29Å; L224-F228 PolarHBondContact O-N 3.32Å; L224-V452 HydrophobicContact CD2-CG2 4.42Å; L224-A455 HydrophobicContact CD1-CB 4.2Å; L224-A455 HydrophobicContact CD2-CB 3.68Å; L224-A455 HydrophobicContact CG-CB 3.64Å; L224-T456 HydrophobicContact CD2-CG2 4.22Å; L224-L460 HydrophobicContact CD1-CD1 4.18Å |
| 225 | G | 93.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.4 | -57 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | G221 G222 A227 F228 L229 | G221-G225 WeakPolarHBondContact O-CA 3.42Å; G221-G225 PolarHBondContact O-N 3.37Å; G222-G225 CarbonylContact O-C 3.57Å; G222-G225 WeakPolarHBondContact O-CA 3.4Å; G222-G225 PolarHBondContact O-N 2.91Å; G225-A227 PolarHBondContact O-N 3.38Å; G225-F228 PolarHBondContact O-N 3.01Å; G225-L229 WeakPolarHBondContact O-CA 3.25Å; G225-L229 WeakPolarHBondContact O-CB 3.3Å; G225-L229 VanDerWaalsContact O-CG 3.24Å; G225-L229 WeakPolarHBondContact O-CG 3.26Å; G225-L229 PolarHBondContact O-N 3.08Å |
| 226 | D | 91.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -51.8 | -56.9 | 174.9 | 165.5 | 64.2 | 0 | 0 | 0 | 112 | G222 F228 L229 H230 L231 H360 H393 F451 M487 | G222-D226 WeakPolarHBondContact O-CB 3.36Å; G222-D226 PolarHBondContact O-N 2.93Å; D226-F228 VanDerWaalsContact C-N 3.32Å; D226-F228 PolarHBondContact O-N 3.09Å; D226-L229 PolarHBondContact O-N 3.1Å; D226-H230 CarbonylContact O-C 3.59Å; D226-H230 WeakPolarHBondContact O-CA 3.37Å; D226-H230 PolarHBondContact O-N 3.28Å; D226-H230 IonicContact OD1-CD2 3.98Å; D226-H230 PolarHBondContact OD1-CD2 2.98Å; D226-H230 VanDerWaalsContact OD1-CD2 3.27Å; D226-H230 IonicContact OD1-CG 3.56Å; D226-L231 PolarHBondContact O-N 3.4Å; D226-L231 WeakPolarHBondContact OD1-CG 3.36Å; D226-L231 WeakPolarHBondContact OD2-CD1 3.17Å; D226-L231 WeakPolarHBondContact OD2-CG 3.46Å; D226-H360 IonicContact OD1-CE1 2.7Å; D226-H360 IonicContact OD2-CE1 3.06Å; D226-H393 WeakPolarHBondContact CB-NE2 3.37Å; D226-H393 IonicContact OD2-CE1 2.69Å; D226-H393 IonicContact OD2-NE2 2.69Å; D226-F451 WeakPolarHBondContact OD2-CD2 3.11Å; D226-F451 WeakPolarHBondContact OD2-CE2 3.49Å; D226-M487 HydrophobicContact CB-CE 4.5Å; D226-M487 HydrophobicContact CB-CG 4.49Å; D226-M487 HydrophobicContact CB-SD 4.1Å |
| 227 | A | 93.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -58.2 | -39.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | L223 G225 I232 A448 F451 V452 | L223-A227 WeakPolarHBondContact O-CB 3.27Å; L223-A227 PolarHBondContact O-N 3.35Å; G225-A227 PolarHBondContact O-N 3.38Å; A227-I232 VanDerWaalsContact O-CB 3.27Å; A227-I232 WeakPolarHBondContact O-CB 3.46Å; A227-I232 VanDerWaalsContact O-CD1 3.3Å; A227-I232 WeakPolarHBondContact O-CD1 3.46Å; A227-I232 WeakPolarHBondContact O-CG1 3.38Å; A227-I232 PolarHBondContact O-N 3.01Å; A227-I232 VanDerWaalsContact O-N 3.15Å; A227-A448 HydrophobicContact CB-CB 4.05Å; A227-F451 HydrophobicContact CB-CB 4.15Å; A227-V452 HydrophobicContact CB-CG2 3.91Å |
| 228 | F | 94.4 | Very high | 88.3 | Confident | 112 Ų | 112 | 31.1 Ų | 31.1 | 49% | 0.491 | 17% | 0.165 | S | C | . | . | I | π-helix | trans | -95.4 | -18.4 | -177 | -76.1 | -66.6 | 0 | 0 | 0 | 115.4 | L224 G225 D226 I232 P233 V452 | L224-F228 HydrophobicContact CD2-CD2 4.44Å; L224-F228 HydrophobicContact CD2-CE2 4.1Å; L224-F228 WeakPolarHBondContact O-CB 3.02Å; L224-F228 WeakPolarHBondContact O-CD2 3.29Å; L224-F228 PolarHBondContact O-N 3.32Å; G225-F228 PolarHBondContact O-N 3.01Å; D226-F228 VanDerWaalsContact C-N 3.32Å; D226-F228 PolarHBondContact O-N 3.09Å; F228-I232 HydrophobicContact CD1-CD1 3.99Å; F228-I232 HydrophobicContact CE1-CD1 4.18Å; F228-P233 WeakPolarHBondContact O-CD 3.41Å; F228-V452 HydrophobicContact CD2-CG2 4.33Å; F228-V452 HydrophobicContact CE2-CG2 3.65Å; F228-V452 HydrophobicContact CZ-CG1 4.49Å; F228-V452 HydrophobicContact CZ-CG2 3.78Å |
| 229 | L | 90.8 | Very high | 86.4 | Confident | 69 Ų | 69 | 35.8 Ų | 35.8 | 36% | 0.361 | 19% | 0.187 | S | C | . | . | I | π-helix | trans | -119 | -20.3 | -171.6 | -50.1 | 173.6 | 0 | 0 | 0 | 113.6 | G225 D226 V484 V488 | G225-L229 WeakPolarHBondContact O-CA 3.25Å; G225-L229 WeakPolarHBondContact O-CB 3.3Å; G225-L229 VanDerWaalsContact O-CG 3.24Å; G225-L229 WeakPolarHBondContact O-CG 3.26Å; G225-L229 PolarHBondContact O-N 3.08Å; D226-L229 PolarHBondContact O-N 3.1Å; L229-V484 HydrophobicContact CD1-CG1 4.17Å; L229-V488 HydrophobicContact CD1-CG2 3.61Å |
| 230 | H | 86.9 | Confident | 84.1 | Confident | 26 Ų | 26 | 40.6 Ų | 40.6 | 12% | 0.12 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -114.7 | -68.5 | 174.3 | 174.6 | 78.4 | 0 | 0 | 0 | 110.3 | D226 I232 P233 H234 H389 E494 | D226-H230 CarbonylContact O-C 3.59Å; D226-H230 WeakPolarHBondContact O-CA 3.37Å; D226-H230 PolarHBondContact O-N 3.28Å; D226-H230 IonicContact OD1-CD2 3.98Å; D226-H230 PolarHBondContact OD1-CD2 2.98Å; D226-H230 VanDerWaalsContact OD1-CD2 3.27Å; D226-H230 IonicContact OD1-CG 3.56Å; H230-I232 PolarHBondContact O-N 2.88Å; H230-P233 WeakPolarHBondContact O-CD 3.31Å; H230-H234 WeakPolarHBondContact O-CB 3.49Å; H230-H234 PolarHBondContact O-N 3.31Å; H230-H389 AromaticContact NE2-CE1 3.8Å; H230-E494 IonicContact CE1-OE1 3.97Å; H230-E494 PolarHBondContact CE1-OE1 3.27Å; H230-E494 IonicContact CE1-OE2 3.83Å; H230-E494 PolarHBondContact CE1-OE2 3.5Å; H230-E494 IonicContact ND1-OE2 2.97Å; H230-E494 PolarHBondContact ND1-OE2 3.09Å |
| 231 | L | 89.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -61.5 | -48.1 | -171.9 | -60 | -179.4 | 0 | 0 | 0 | 114.5 | D226 A235 L444 T447 A448 F451 | D226-L231 PolarHBondContact O-N 3.4Å; D226-L231 WeakPolarHBondContact OD1-CG 3.36Å; D226-L231 WeakPolarHBondContact OD2-CD1 3.17Å; D226-L231 WeakPolarHBondContact OD2-CG 3.46Å; L231-A235 WeakPolarHBondContact O-CB 3.45Å; L231-A235 PolarHBondContact O-N 3.44Å; L231-L444 HydrophobicContact CD2-CD2 3.71Å; L231-T447 HydrophobicContact CD1-CG2 4.38Å; L231-A448 HydrophobicContact CB-CB 3.8Å; L231-A448 HydrophobicContact CD1-CB 3.92Å; L231-F451 HydrophobicContact CD1-CD2 3.87Å; L231-F451 HydrophobicContact CD1-CE2 4.11Å |
| 232 | I | 91.8 | Very high | 79.2 | Confident | 27 Ų | 27 | 56.5 Ų | 56.5 | 14% | 0.138 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.5 | -47.9 | -180 | -75.3 | 169.4 | 0 | 0 | 0 | 111.9 | A227 F228 H230 A235 L236 V277 A448 | A227-I232 VanDerWaalsContact O-CB 3.27Å; A227-I232 WeakPolarHBondContact O-CB 3.46Å; A227-I232 VanDerWaalsContact O-CD1 3.3Å; A227-I232 WeakPolarHBondContact O-CD1 3.46Å; A227-I232 WeakPolarHBondContact O-CG1 3.38Å; A227-I232 PolarHBondContact O-N 3.01Å; A227-I232 VanDerWaalsContact O-N 3.15Å; F228-I232 HydrophobicContact CD1-CD1 3.99Å; F228-I232 HydrophobicContact CE1-CD1 4.18Å; H230-I232 PolarHBondContact O-N 2.88Å; I232-A235 PolarHBondContact O-N 3.4Å; I232-L236 HydrophobicContact CG2-CD1 3.88Å; I232-L236 HydrophobicContact CG2-CG 4.42Å; I232-L236 VanDerWaalsContact O-CG 3.3Å; I232-L236 WeakPolarHBondContact O-CG 3.25Å; I232-L236 PolarHBondContact O-N 2.83Å; I232-V277 HydrophobicContact CD1-CG1 4.14Å; I232-V277 HydrophobicContact CD1-CG2 3.84Å; I232-V277 HydrophobicContact CG1-CG2 3.79Å; I232-A448 HydrophobicContact CD1-CB 4.17Å; I232-A448 HydrophobicContact CG1-CB 3.79Å |
| 233 | P | 88.9 | Confident | 76.3 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 35% | 0.351 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.5 | -47.8 | 174.4 | -30 | 39.1 | 0 | 0 | 0 | 113.6 | F228 H230 A235 L236 D237 | F228-P233 WeakPolarHBondContact O-CD 3.41Å; H230-P233 WeakPolarHBondContact O-CD 3.31Å; P233-A235 VanDerWaalsContact C-N 3.26Å; P233-A235 PolarHBondContact O-N 3.08Å; P233-L236 WeakPolarHBondContact O-CB 3.24Å; P233-L236 PolarHBondContact O-N 3.21Å; P233-D237 PolarHBondContact O-N 3.4Å |
| 234 | H | 83.9 | Confident | 74 | Confident | 54 Ų | 54 | 68 Ų | 68 | 25% | 0.25 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.1 | -32.2 | 178.4 | -167 | 110.7 | 0 | 0 | 0 | 112.2 | H230 D237 P238 H239 | H230-H234 WeakPolarHBondContact O-CB 3.49Å; H230-H234 PolarHBondContact O-N 3.31Å; H234-D237 CarbonylContact O-C 3.57Å; H234-P238 WeakPolarHBondContact O-CA 3.39Å; H234-H239 AromaticContact CE1-CD2 3.66Å; H234-H239 AromaticContact CE1-NE2 3.93Å; H234-H239 AromaticContact ND1-CD2 3.99Å; H234-H239 AromaticContact ND1-NE2 3.86Å |
| 235 | A | 86.2 | Confident | 71.7 | Confident | 3 Ų | 3 | 75.3 Ų | 75.3 | 3% | 0.025 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -74.2 | -23.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L231 I232 P233 H269 V273 L444 P445 | L231-A235 WeakPolarHBondContact O-CB 3.45Å; L231-A235 PolarHBondContact O-N 3.44Å; I232-A235 PolarHBondContact O-N 3.4Å; P233-A235 VanDerWaalsContact C-N 3.26Å; P233-A235 PolarHBondContact O-N 3.08Å; A235-H269 PolarHBondContact O-CE1 2.67Å; A235-V273 HydrophobicContact CB-CG1 3.84Å; A235-V273 HydrophobicContact CB-CG2 4.49Å; A235-V273 WeakPolarHBondContact O-CG2 3.42Å; A235-L444 HydrophobicContact CB-CB 4.28Å; A235-P445 HydrophobicContact CB-CB 4.23Å; A235-P445 HydrophobicContact CB-CG 4.11Å |
| 236 | L | 86 | Confident | 68.9 | Low | 70 Ų | 70 | 83.2 Ų | 83.2 | 37% | 0.366 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -83.3 | -38 | 178.5 | -73 | 168.1 | 0 | 0 | 0 | 112.6 | I232 P233 P238 H269 M270 V273 | I232-L236 HydrophobicContact CG2-CD1 3.88Å; I232-L236 HydrophobicContact CG2-CG 4.42Å; I232-L236 VanDerWaalsContact O-CG 3.3Å; I232-L236 WeakPolarHBondContact O-CG 3.25Å; I232-L236 PolarHBondContact O-N 2.83Å; P233-L236 WeakPolarHBondContact O-CB 3.24Å; P233-L236 PolarHBondContact O-N 3.21Å; L236-P238 VanDerWaalsContact C-CD 3.44Å; L236-P238 WeakPolarHBondContact O-CD 3.41Å; L236-H269 PolarHBondContact O-CE1 3Å; L236-H269 PolarHBondContact O-ND1 3Å; L236-H269 VanDerWaalsContact O-ND1 3.12Å; L236-M270 HydrophobicContact CD2-CB 4.17Å; L236-M270 HydrophobicContact CD2-CG 4.06Å; L236-V273 HydrophobicContact CD2-CB 3.87Å; L236-V273 HydrophobicContact CD2-CG1 3.8Å; L236-V273 HydrophobicContact CD2-CG2 4.15Å; L236-V273 HydrophobicContact CG-CG1 4.02Å |
| 237 | D | 75.4 | Confident | 66.7 | Low | 121 Ų | 121 | 91 Ų | 91 | 65% | 0.647 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -125.1 | 68.1 | 179 | -162 | 11.2 | 0 | 0 | 0 | 110.5 | P233 H234 H239 | P233-D237 PolarHBondContact O-N 3.4Å; H234-D237 CarbonylContact O-C 3.57Å; D237-H239 PolarHBondContact O-N 2.92Å; D237-H239 VanDerWaalsContact O-N 3.09Å |
| 238 | P | 60.9 | Low | 63.9 | Low | 63 Ų | 63 | 100 Ų | 100 | 41% | 0.409 | 52% | 0.52 | S | S | . | . | trans | -64.9 | 112.1 | 179.2 | 27 | -34.4 | 0 | 0 | 0 | 109 | H234 L236 S240 | H234-P238 WeakPolarHBondContact O-CA 3.39Å; L236-P238 VanDerWaalsContact C-CD 3.44Å; L236-P238 WeakPolarHBondContact O-CD 3.41Å; P238-S240 PolarHBondContact O-N 3.46Å | ||
| 239 | H | 52.7 | Low | 61.5 | Low | 110 Ų | 110 | 101.3 Ų | 101.3 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | trans | -44.9 | 121.4 | -163 | -66.4 | -81.1 | 0 | 0 | 0 | 114.1 | H234 D237 H241 | H234-H239 AromaticContact CE1-CD2 3.66Å; H234-H239 AromaticContact CE1-NE2 3.93Å; H234-H239 AromaticContact ND1-CD2 3.99Å; H234-H239 AromaticContact ND1-NE2 3.86Å; D237-H239 PolarHBondContact O-N 2.92Å; D237-H239 VanDerWaalsContact O-N 3.09Å; H239-H241 PolarHBondContact O-N 3.41Å | ||
| 240 | S | 39.1 | Very low | 58.7 | Low | 105 Ų | 105 | 102.9 Ų | 102.9 | 73% | 0.734 | 55% | 0.55 | S | S | * | * | trans | -66.5 | 85.5 | 156.3 | 55.8 | 0 | 0 | 0 | 0 | 108.3 | P238 H242 | P238-S240 PolarHBondContact O-N 3.46Å; S240-H242 PolarHBondContact O-N 2.96Å | ||
| 241 | H | 43.9 | Very low | 56.8 | Low | 152 Ų | 152 | 109.5 Ų | 109.5 | 70% | 0.704 | 58% | 0.581 | S | S | * | * | trans | -53.2 | 130.2 | 176 | -71.6 | -74 | 0 | 0 | 0 | 109.7 | H239 G243 | H239-H241 PolarHBondContact O-N 3.41Å; H241-G243 VanDerWaalsContact C-N 3.32Å; H241-G243 PolarHBondContact O-N 2.85Å | ||
| 242 | H | 37.3 | Very low | 54.4 | Low | 182 Ų | 182 | 114.3 Ų | 114.3 | 84% | 0.843 | 62% | 0.621 | S | S | * | * | trans | -68.6 | 84.7 | -176.3 | -82.1 | -93.4 | 0 | 0 | 0 | 111.8 | S240 | S240-H242 PolarHBondContact O-N 2.96Š| ||
| 243 | G | 31.7 | Very low | 51.9 | Low | 72 Ų | 72 | 118.3 Ų | 118.3 | 74% | 0.742 | 65% | 0.651 | S | S | * | * | trans | -85.6 | 92.1 | 152.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | H241 | H241-G243 VanDerWaalsContact C-N 3.32Å; H241-G243 PolarHBondContact O-N 2.85Å | ||
| 244 | E | 42.9 | Very low | 49.6 | Very low | 173 Ų | 173 | 124.5 Ų | 124.5 | 81% | 0.808 | 68% | 0.676 | S | S | * | * | trans | -79 | 134.7 | 152.9 | -69.2 | -170 | 147.2 | 0 | 0 | 107.4 | ||||
| 245 | E | 45.9 | Very low | 47.4 | Very low | 187 Ų | 187 | 130.3 Ų | 130.3 | 87% | 0.874 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 62.9 | 83.4 | 177.4 | -57.4 | -174.7 | -174.1 | 0 | 0 | 116.4 | ||
| 246 | D | 34.5 | Very low | 45 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | -157.4 | 135.8 | 115.5 | -108.8 | -29.5 | 0 | 0 | 0 | 111.7 | |||||
| 247 | E | 45.6 | Very low | 43.2 | Very low | 163 Ų | 163 | 141 Ų | 141 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -102.8 | 104.5 | 176.7 | -87.5 | -140.8 | -146.9 | 0 | 0 | 111.3 | H249 | E247-H249 IonicContact OE2-CE1 3.27Å; E247-H249 PolarHBondContact OE2-CE1 3.03Å; E247-H249 VanDerWaalsContact OE2-CE1 3.27Å; E247-H249 IonicContact OE2-ND1 3.88Å | ||
| 248 | E | 32.5 | Very low | 41.2 | Very low | 190 Ų | 190 | 142.3 Ų | 142.3 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | trans | -126.5 | 127.6 | 162.1 | -71.4 | -149.3 | 139.2 | 0 | 0 | 112.2 | ||||
| 249 | H | 45.5 | Very low | 40.8 | Very low | 139 Ų | 139 | 148 Ų | 148 | 64% | 0.644 | 79% | 0.791 | S | S | * | * | trans | -85.4 | 122.4 | -175 | -54.9 | -35.3 | 0 | 0 | 0 | 112.9 | E247 | E247-H249 IonicContact OE2-CE1 3.27Å; E247-H249 PolarHBondContact OE2-CE1 3.03Å; E247-H249 VanDerWaalsContact OE2-CE1 3.27Å; E247-H249 IonicContact OE2-ND1 3.88Å | ||
| 250 | A | 32.4 | Very low | 40.3 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -100.9 | 94.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 251 | H | 47.2 | Very low | 40.4 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | -76.2 | 130.2 | -178.3 | -66.6 | -75.8 | 0 | 0 | 0 | 113.4 | ||||
| 252 | A | 37.2 | Very low | 40.6 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -137.4 | 137.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 253 | S | 40.9 | Very low | 41.3 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -161.9 | 149.7 | -161.2 | 56.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 254 | E | 40.1 | Very low | 42.4 | Very low | 184 Ų | 184 | 142.5 Ų | 142.5 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | cis | -113.3 | -167 | -1.3 | -65 | -175.9 | 73.2 | 0 | 0 | 109 | ||||
| 255 | E | 37.1 | Very low | 43.1 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | cis | -149.1 | 178.8 | 20.7 | -66.5 | -179.1 | 58.8 | 0 | 0 | 112.9 | ||||
| 256 | S | 35.8 | Very low | 43.9 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | 63.1 | 117.2 | 164.1 | 73 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 257 | H | 48.3 | Very low | 45.6 | Very low | 182 Ų | 182 | 130 Ų | 130 | 84% | 0.843 | 73% | 0.73 | S | S | * | * | trans | -73.3 | 133 | 164.3 | -60.6 | -95.1 | 0 | 0 | 0 | 112 | ||||
| 258 | D | 33.3 | Very low | 47.1 | Very low | 148 Ų | 148 | 124.2 Ų | 124.2 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | trans | -134.5 | 139.3 | 152.5 | -171.5 | 20.2 | 0 | 0 | 0 | 109.7 | ||||
| 259 | H | 52.3 | Low | 49.5 | Very low | 182 Ų | 182 | 118.3 Ų | 118.3 | 84% | 0.843 | 69% | 0.686 | S | S | * | * | trans | -103.5 | 66.3 | -176.5 | -79.7 | -69.9 | 0 | 0 | 0 | 110.4 | ||||
| 260 | G | 41.8 | Very low | 51.4 | Low | 42 Ų | 42 | 116.2 Ų | 116.2 | 43% | 0.433 | 68% | 0.678 | S | S | . | * | trans | -144.3 | 121.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 261 | H | 42.4 | Very low | 54.2 | Low | 166 Ų | 166 | 117.2 Ų | 117.2 | 77% | 0.769 | 67% | 0.667 | S | S | * | * | trans | 59.7 | 76.8 | 149.2 | -46 | -66.2 | 0 | 0 | 0 | 120 | H263 G264 | H261-H263 PolarHBondContact O-N 3Å; H261-H263 VanDerWaalsContact O-N 3.09Å; H261-G264 PolarHBondContact O-N 3.46Å | ||
| 262 | S | 49 | Very low | 56.3 | Low | 104 Ų | 104 | 111.7 Ų | 111.7 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -15.9 | 165 | 55.9 | 0 | 0 | 0 | 0 | 114.9 | G264 A265 | S262-G264 PolarHBondContact O-N 2.82Å; S262-G264 VanDerWaalsContact O-N 3.13Å; S262-A265 PolarHBondContact O-N 3.03Å |
| 263 | H | 50.8 | Low | 58.9 | Low | 140 Ų | 140 | 106.9 Ų | 106.9 | 65% | 0.648 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -58.2 | -23.4 | 177.8 | -66.7 | -66.5 | 0 | 0 | 0 | 114.6 | H261 H267 | H261-H263 PolarHBondContact O-N 3Å; H261-H263 VanDerWaalsContact O-N 3.09Å; H263-H267 PolarHBondContact O-CD2 3.32Å; H263-H267 PolarHBondContact O-N 2.93Å |
| 264 | G | 54.6 | Low | 61.4 | Low | 53 Ų | 53 | 103.6 Ų | 103.6 | 55% | 0.546 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.7 | -42.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | H261 S262 H267 G268 | H261-G264 PolarHBondContact O-N 3.46Å; S262-G264 PolarHBondContact O-N 2.82Å; S262-G264 VanDerWaalsContact O-N 3.13Å; G264-H267 PolarHBondContact O-N 3.33Å; G264-G268 PolarHBondContact O-N 2.77Å |
| 265 | A | 58.9 | Low | 64 | Low | 82 Ų | 82 | 99.8 Ų | 99.8 | 68% | 0.678 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.8 | -45.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S262 H267 G268 H269 | S262-A265 PolarHBondContact O-N 3.03Å; A265-H267 PolarHBondContact O-N 3.25Å; A265-G268 WeakPolarHBondContact O-CA 3.03Å; A265-G268 PolarHBondContact O-N 3.31Å; A265-G268 VanDerWaalsContact O-N 3.12Å; A265-H269 PolarHBondContact O-N 2.75Å |
| 266 | A | 62.7 | Low | 66.8 | Low | 50 Ų | 50 | 96.2 Ų | 96.2 | 41% | 0.413 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.2 | -42.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G268 H269 M270 | A266-G268 VanDerWaalsContact C-N 3.33Å; A266-G268 PolarHBondContact O-N 2.66Å; A266-H269 PolarHBondContact O-N 2.93Å; A266-M270 HydrophobicContact CB-CE 4.03Å; A266-M270 WeakPolarHBondContact O-CE 3.38Å; A266-M270 WeakPolarHBondContact O-CG 3.49Å; A266-M270 PolarHBondContact O-N 3.37Å; A266-M270 VanDerWaalsContact O-N 3.1Å |
| 267 | H | 68.9 | Low | 69.7 | Low | 133 Ų | 133 | 91.6 Ų | 91.6 | 62% | 0.616 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.5 | -36.2 | 173.9 | -89.8 | -58.5 | 0 | 0 | 0 | 112.8 | H263 G264 A265 M271 | H263-H267 PolarHBondContact O-CD2 3.32Å; H263-H267 PolarHBondContact O-N 2.93Å; G264-H267 PolarHBondContact O-N 3.33Å; A265-H267 PolarHBondContact O-N 3.25Å; H267-M271 VanDerWaalsContact O-CB 3.29Å; H267-M271 WeakPolarHBondContact O-CB 3.25Å; H267-M271 PolarHBondContact O-N 3.05Å |
| 268 | G | 76.8 | Confident | 72 | Confident | 42 Ų | 42 | 87.2 Ų | 87.2 | 43% | 0.433 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G264 A265 A266 M271 S272 | G264-G268 PolarHBondContact O-N 2.77Å; A265-G268 WeakPolarHBondContact O-CA 3.03Å; A265-G268 PolarHBondContact O-N 3.31Å; A265-G268 VanDerWaalsContact O-N 3.12Å; A266-G268 VanDerWaalsContact C-N 3.33Å; A266-G268 PolarHBondContact O-N 2.66Å; G268-M271 PolarHBondContact O-N 2.64Å; G268-S272 WeakPolarHBondContact O-CB 3.45Å; G268-S272 PolarHBondContact O-N 3.21Å |
| 269 | H | 83.6 | Confident | 74.9 | Confident | 65 Ų | 65 | 81.4 Ų | 81.4 | 30% | 0.301 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.4 | -54.6 | 177.4 | -167.3 | -117.4 | 0 | 0 | 0 | 111.9 | A235 L236 A265 A266 M271 S272 V273 | A235-H269 PolarHBondContact O-CE1 2.67Å; L236-H269 PolarHBondContact O-CE1 3Å; L236-H269 PolarHBondContact O-ND1 3Å; L236-H269 VanDerWaalsContact O-ND1 3.12Å; A265-H269 PolarHBondContact O-N 2.75Å; A266-H269 PolarHBondContact O-N 2.93Å; H269-M271 PolarHBondContact O-N 3.03Å; H269-S272 WeakPolarHBondContact O-CA 3.38Å; H269-S272 WeakPolarHBondContact O-CB 3.05Å; H269-S272 PolarHBondContact O-N 3.02Å; H269-V273 WeakPolarHBondContact O-CG2 3.48Å; H269-V273 PolarHBondContact O-N 3.23Å |
| 270 | M | 86.2 | Confident | 76.8 | Confident | 96 Ų | 96 | 72.7 Ų | 72.7 | 47% | 0.473 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57.5 | -37.7 | 179.2 | -63.2 | -180 | -126.2 | 0 | 0 | 112.6 | L236 A266 G274 | L236-M270 HydrophobicContact CD2-CB 4.17Å; L236-M270 HydrophobicContact CD2-CG 4.06Å; A266-M270 HydrophobicContact CB-CE 4.03Å; A266-M270 WeakPolarHBondContact O-CE 3.38Å; A266-M270 WeakPolarHBondContact O-CG 3.49Å; A266-M270 PolarHBondContact O-N 3.37Å; A266-M270 VanDerWaalsContact O-N 3.1Å; M270-G274 PolarHBondContact O-N 3.1Å; M270-G274 VanDerWaalsContact O-N 3.08Å |
| 271 | M | 90 | Very high | 79.4 | Confident | 124 Ų | 124 | 73.1 Ų | 73.1 | 61% | 0.611 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.3 | -42.8 | 175.1 | -174.5 | 64 | 67.3 | 0 | 0 | 111.8 | H267 G268 H269 G274 L275 | H267-M271 VanDerWaalsContact O-CB 3.29Å; H267-M271 WeakPolarHBondContact O-CB 3.25Å; H267-M271 PolarHBondContact O-N 3.05Å; G268-M271 PolarHBondContact O-N 2.64Å; H269-M271 PolarHBondContact O-N 3.03Å; M271-G274 PolarHBondContact O-N 2.82Å; M271-L275 HydrophobicContact CG-CD1 4.04Å; M271-L275 HydrophobicContact CG-CG 4.48Å; M271-L275 WeakPolarHBondContact O-CB 3.2Å; M271-L275 VanDerWaalsContact O-CG 3.24Å; M271-L275 WeakPolarHBondContact O-CG 3.48Å; M271-L275 PolarHBondContact O-N 2.9Å |
| 272 | S | 90.8 | Very high | 81.9 | Confident | 47 Ų | 47 | 69.4 Ų | 69.4 | 33% | 0.329 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.7 | -49.2 | 175.9 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | G268 H269 G274 L275 W276 | G268-S272 WeakPolarHBondContact O-CB 3.45Å; G268-S272 PolarHBondContact O-N 3.21Å; H269-S272 WeakPolarHBondContact O-CA 3.38Å; H269-S272 WeakPolarHBondContact O-CB 3.05Å; H269-S272 PolarHBondContact O-N 3.02Å; S272-G274 PolarHBondContact O-N 3.13Å; S272-L275 WeakPolarHBondContact O-CB 3.48Å; S272-L275 PolarHBondContact O-N 3.26Å; S272-L275 VanDerWaalsContact O-N 3.16Å; S272-W276 PolarHBondContact O-N 3.11Å |
| 273 | V | 92.1 | Very high | 83.9 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.012 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.1 | -48.8 | 177.7 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | A235 L236 H269 L275 W276 V277 P445 | A235-V273 HydrophobicContact CB-CG1 3.84Å; A235-V273 HydrophobicContact CB-CG2 4.49Å; A235-V273 WeakPolarHBondContact O-CG2 3.42Å; L236-V273 HydrophobicContact CD2-CB 3.87Å; L236-V273 HydrophobicContact CD2-CG1 3.8Å; L236-V273 HydrophobicContact CD2-CG2 4.15Å; L236-V273 HydrophobicContact CG-CG1 4.02Å; H269-V273 WeakPolarHBondContact O-CG2 3.48Å; H269-V273 PolarHBondContact O-N 3.23Å; V273-L275 VanDerWaalsContact C-N 3.32Å; V273-L275 PolarHBondContact O-N 3.41Å; V273-W276 PolarHBondContact O-N 2.88Å; V273-W276 VanDerWaalsContact O-N 3.17Å; V273-V277 WeakPolarHBondContact O-CG2 3.38Å; V273-V277 PolarHBondContact O-N 3.03Å; V273-P445 HydrophobicContact CG1-CB 3.92Å; V273-P445 HydrophobicContact CG1-CG 4.41Å |
| 274 | G | 93.8 | Very high | 85.8 | Confident | 41 Ų | 41 | 60 Ų | 60 | 42% | 0.423 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.6 | -35.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | M270 M271 S272 L278 | M270-G274 PolarHBondContact O-N 3.1Å; M270-G274 VanDerWaalsContact O-N 3.08Å; M271-G274 PolarHBondContact O-N 2.82Å; S272-G274 PolarHBondContact O-N 3.13Å; G274-L278 WeakPolarHBondContact O-CB 3.23Å; G274-L278 PolarHBondContact O-N 2.69Å |
| 275 | L | 95.1 | Very high | 87.5 | Confident | 105 Ų | 105 | 61.4 Ų | 61.4 | 55% | 0.55 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.1 | -36.4 | 174.3 | -74.6 | 168.9 | 0 | 0 | 0 | 112.3 | M271 S272 V273 G279 | M271-L275 HydrophobicContact CG-CD1 4.04Å; M271-L275 HydrophobicContact CG-CG 4.48Å; M271-L275 WeakPolarHBondContact O-CB 3.2Å; M271-L275 VanDerWaalsContact O-CG 3.24Å; M271-L275 WeakPolarHBondContact O-CG 3.48Å; M271-L275 PolarHBondContact O-N 2.9Å; S272-L275 WeakPolarHBondContact O-CB 3.48Å; S272-L275 PolarHBondContact O-N 3.26Å; S272-L275 VanDerWaalsContact O-N 3.16Å; V273-L275 VanDerWaalsContact C-N 3.32Å; V273-L275 PolarHBondContact O-N 3.41Å; L275-G279 PolarHBondContact O-N 2.91Å |
| 276 | W | 95.3 | Very high | 89 | Confident | 100 Ų | 100 | 61.5 Ų | 61.5 | 38% | 0.379 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.6 | -39.8 | 174.7 | -74.7 | 115.3 | 0 | 0 | 0 | 112.8 | S272 V273 L278 G279 G280 W442 P445 F446 | S272-W276 PolarHBondContact O-N 3.11Å; V273-W276 PolarHBondContact O-N 2.88Å; V273-W276 VanDerWaalsContact O-N 3.17Å; W276-L278 PolarHBondContact O-N 3.46Å; W276-G279 CarbonylContact O-C 3.58Å; W276-G279 WeakPolarHBondContact O-CA 3.43Å; W276-G279 PolarHBondContact O-N 3.32Å; W276-G279 VanDerWaalsContact O-N 3.13Å; W276-G280 PolarHBondContact O-N 3.38Å; W276-W442 HydrophobicContact CD2-CB 3.72Å; W276-W442 VanDerWaalsContact CE2-CB 3.48Å; W276-W442 HydrophobicContact CE3-CB 4.25Å; W276-W442 HydrophobicContact CG-CB 4.05Å; W276-W442 HydrophobicContact CH2-CB 4.37Å; W276-W442 HydrophobicContact CH2-CE3 4.43Å; W276-W442 HydrophobicContact CZ2-CB 3.85Å; W276-W442 HydrophobicContact CZ2-CG 4.44Å; W276-W442 HydrophobicContact CZ3-CE3 4.21Å; W276-P445 HydrophobicContact CB-CB 3.79Å; W276-P445 HydrophobicContact CB-CG 3.62Å; W276-P445 HydrophobicContact CG-CG 4.31Å; W276-F446 WeakPolarHBondContact O-CA 3.24Å |
| 277 | V | 96.4 | Very high | 90.1 | Very high | 19 Ų | 19 | 62.6 Ų | 62.6 | 12% | 0.115 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58 | -47.7 | 170.9 | 177 | 0 | 0 | 0 | 0 | 110.9 | I232 V273 G279 G280 I281 P445 G449 | I232-V277 HydrophobicContact CD1-CG1 4.14Å; I232-V277 HydrophobicContact CD1-CG2 3.84Å; I232-V277 HydrophobicContact CG1-CG2 3.79Å; V273-V277 WeakPolarHBondContact O-CG2 3.38Å; V273-V277 PolarHBondContact O-N 3.03Å; V277-G279 VanDerWaalsContact C-N 3.29Å; V277-G279 PolarHBondContact O-N 3.04Å; V277-G280 PolarHBondContact O-N 3.27Å; V277-I281 HydrophobicContact CG1-CD1 4.27Å; V277-I281 WeakPolarHBondContact O-CG1 3.47Å; V277-I281 PolarHBondContact O-N 3.24Å; V277-I281 VanDerWaalsContact O-N 3.13Å; V277-P445 VanDerWaalsContact CA-O 3.26Å; V277-P445 WeakPolarHBondContact CA-O 3.39Å; V277-P445 HydrophobicContact CG2-CB 3.71Å; V277-P445 WeakPolarHBondContact CG2-O 3.34Å; V277-G449 WeakPolarHBondContact O-CA 3.41Å |
| 278 | L | 96.4 | Very high | 91 | Very high | 90 Ų | 90 | 56.5 Ų | 56.5 | 47% | 0.471 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 175.5 | -177.2 | 59.6 | 0 | 0 | 0 | 111.9 | G274 W276 I281 I282 | G274-L278 WeakPolarHBondContact O-CB 3.23Å; G274-L278 PolarHBondContact O-N 2.69Å; W276-L278 PolarHBondContact O-N 3.46Å; L278-I281 PolarHBondContact O-N 2.96Å; L278-I282 HydrophobicContact CD1-CD1 3.98Å; L278-I282 HydrophobicContact CD1-CG1 4.23Å; L278-I282 HydrophobicContact CD2-CD1 4.46Å; L278-I282 HydrophobicContact CG-CD1 3.81Å; L278-I282 HydrophobicContact CG-CG1 4.44Å; L278-I282 WeakPolarHBondContact O-CB 3.34Å; L278-I282 VanDerWaalsContact O-CG1 3.28Å; L278-I282 WeakPolarHBondContact O-CG1 3.43Å; L278-I282 PolarHBondContact O-N 3.38Å |
| 279 | G | 94.9 | Very high | 91.4 | Very high | 26 Ų | 26 | 60.8 Ų | 60.8 | 27% | 0.268 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L275 W276 V277 I282 A283 | L275-G279 PolarHBondContact O-N 2.91Å; W276-G279 CarbonylContact O-C 3.58Å; W276-G279 WeakPolarHBondContact O-CA 3.43Å; W276-G279 PolarHBondContact O-N 3.32Å; W276-G279 VanDerWaalsContact O-N 3.13Å; V277-G279 VanDerWaalsContact C-N 3.29Å; V277-G279 PolarHBondContact O-N 3.04Å; G279-I282 PolarHBondContact O-N 3.45Å; G279-A283 VanDerWaalsContact O-CB 3.23Å; G279-A283 WeakPolarHBondContact O-CB 3.29Å; G279-A283 PolarHBondContact O-N 3.28Å |
| 280 | G | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.5 | -52.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | W276 V277 I282 A283 F284 F446 | W276-G280 PolarHBondContact O-N 3.38Å; V277-G280 PolarHBondContact O-N 3.27Å; G280-I282 VanDerWaalsContact C-N 3.3Å; G280-I282 PolarHBondContact O-N 3.24Å; G280-A283 PolarHBondContact O-N 3.5Å; G280-F284 VanDerWaalsContact O-CD2 3.3Å; G280-F284 WeakPolarHBondContact O-CD2 3.43Å; G280-F284 PolarHBondContact O-N 3.01Å; G280-F446 WeakPolarHBondContact CA-O 3.3Å |
| 281 | I | 95.3 | Very high | 91.1 | Very high | 50 Ų | 50 | 60.8 Ų | 60.8 | 26% | 0.256 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -55.9 | -44.8 | 177.6 | -65.7 | 168.9 | 0 | 0 | 0 | 111.2 | V277 L278 L285 G449 V452 Y453 | V277-I281 HydrophobicContact CG1-CD1 4.27Å; V277-I281 WeakPolarHBondContact O-CG1 3.47Å; V277-I281 PolarHBondContact O-N 3.24Å; V277-I281 VanDerWaalsContact O-N 3.13Å; L278-I281 PolarHBondContact O-N 2.96Å; I281-L285 WeakPolarHBondContact O-CB 3.47Å; I281-L285 PolarHBondContact O-N 3.41Å; I281-L285 VanDerWaalsContact O-N 3.09Å; I281-G449 WeakPolarHBondContact CG1-O 3.44Å; I281-V452 HydrophobicContact CD1-CG1 4.17Å; I281-Y453 HydrophobicContact CG2-CD2 4.27Å |
| 282 | I | 94.9 | Very high | 90.7 | Very high | 88 Ų | 88 | 61.5 Ų | 61.5 | 45% | 0.451 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.7 | -42.5 | 179.6 | -69.9 | 171.9 | 0 | 0 | 0 | 111.4 | L278 G279 G280 L285 V286 | L278-I282 HydrophobicContact CD1-CD1 3.98Å; L278-I282 HydrophobicContact CD1-CG1 4.23Å; L278-I282 HydrophobicContact CD2-CD1 4.46Å; L278-I282 HydrophobicContact CG-CD1 3.81Å; L278-I282 HydrophobicContact CG-CG1 4.44Å; L278-I282 WeakPolarHBondContact O-CB 3.34Å; L278-I282 VanDerWaalsContact O-CG1 3.28Å; L278-I282 WeakPolarHBondContact O-CG1 3.43Å; L278-I282 PolarHBondContact O-N 3.38Å; G279-I282 PolarHBondContact O-N 3.45Å; G280-I282 VanDerWaalsContact C-N 3.3Å; G280-I282 PolarHBondContact O-N 3.24Å; I282-L285 PolarHBondContact O-N 3.15Å; I282-V286 HydrophobicContact CG2-CG2 4.28Å; I282-V286 WeakPolarHBondContact O-CB 3.36Å; I282-V286 VanDerWaalsContact O-CG2 3.3Å; I282-V286 WeakPolarHBondContact O-CG2 3.49Å; I282-V286 PolarHBondContact O-N 3.3Å |
| 283 | A | 90.8 | Very high | 90.4 | Very high | 34 Ų | 34 | 65 Ų | 65 | 28% | 0.281 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G279 G280 L285 V286 V287 F446 | G279-A283 VanDerWaalsContact O-CB 3.23Å; G279-A283 WeakPolarHBondContact O-CB 3.29Å; G279-A283 PolarHBondContact O-N 3.28Å; G280-A283 PolarHBondContact O-N 3.5Å; A283-L285 PolarHBondContact O-N 2.94Å; A283-V286 PolarHBondContact O-N 2.92Å; A283-V287 WeakPolarHBondContact O-CG2 3.33Å; A283-V287 PolarHBondContact O-N 3.09Å; A283-F446 HydrophobicContact CB-CE2 3.75Å; A283-F446 HydrophobicContact CB-CZ 3.82Å |
| 284 | F | 90.8 | Very high | 89.7 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 6% | 0.061 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 176.8 | -84.2 | -114.3 | 0 | 0 | 0 | 111.6 | G280 V286 V287 E288 L352 A356 F446 Y453 I454 | G280-F284 VanDerWaalsContact O-CD2 3.3Å; G280-F284 WeakPolarHBondContact O-CD2 3.43Å; G280-F284 PolarHBondContact O-N 3.01Å; F284-V286 PolarHBondContact O-N 3.22Å; F284-V287 PolarHBondContact O-N 3.05Å; F284-E288 WeakPolarHBondContact O-CB 3.28Å; F284-E288 PolarHBondContact O-N 3.19Å; F284-L352 HydrophobicContact CD1-CB 4.09Å; F284-L352 HydrophobicContact CD1-CD2 3.94Å; F284-L352 HydrophobicContact CD1-CG 4.49Å; F284-L352 HydrophobicContact CE1-CB 4.19Å; F284-L352 HydrophobicContact CE1-CD2 4.42Å; F284-L352 WeakPolarHBondContact CE1-O 3.4Å; F284-L352 HydrophobicContact CG-CD2 4.44Å; F284-A356 HydrophobicContact CE1-CB 3.85Å; F284-A356 HydrophobicContact CZ-CB 3.72Å; F284-F446 HydrophobicContact CE2-CE1 4.3Å; F284-Y453 HydrophobicContact CB-CD1 3.56Å; F284-Y453 HydrophobicContact CB-CD2 4.32Å; F284-Y453 HydrophobicContact CB-CE1 4.04Å; F284-Y453 HydrophobicContact CB-CG 3.71Å; F284-Y453 HydrophobicContact CD1-CD1 4.24Å; F284-Y453 HydrophobicContact CG-CD1 4.35Å; F284-I454 HydrophobicContact CD1-CG1 4.37Å; F284-I454 HydrophobicContact CE1-CD1 3.98Å; F284-I454 HydrophobicContact CE1-CG1 4.32Å |
| 285 | L | 91.7 | Very high | 88.9 | Confident | 81 Ų | 81 | 72.7 Ų | 72.7 | 42% | 0.424 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 172.9 | -172.8 | 153.3 | 0 | 0 | 0 | 112.6 | I281 I282 A283 E288 K289 Y453 | I281-L285 WeakPolarHBondContact O-CB 3.47Å; I281-L285 PolarHBondContact O-N 3.41Å; I281-L285 VanDerWaalsContact O-N 3.09Å; I282-L285 PolarHBondContact O-N 3.15Å; A283-L285 PolarHBondContact O-N 2.94Å; L285-E288 PolarHBondContact O-N 2.96Å; L285-K289 WeakPolarHBondContact O-CB 3.46Å; L285-K289 PolarHBondContact O-N 3.19Å; L285-Y453 HydrophobicContact CB-CD2 4.43Å; L285-Y453 HydrophobicContact CB-CE2 3.66Å; L285-Y453 HydrophobicContact CD1-CE2 4.37Å; L285-Y453 HydrophobicContact CG-CE2 4.26Å |
| 286 | V | 90 | Very high | 87 | Confident | 84 Ų | 84 | 70.3 Ų | 70.3 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 178.6 | 166.8 | 0 | 0 | 0 | 0 | 110.9 | I282 A283 F284 K289 F290 | I282-V286 HydrophobicContact CG2-CG2 4.28Å; I282-V286 WeakPolarHBondContact O-CB 3.36Å; I282-V286 VanDerWaalsContact O-CG2 3.3Å; I282-V286 WeakPolarHBondContact O-CG2 3.49Å; I282-V286 PolarHBondContact O-N 3.3Å; A283-V286 PolarHBondContact O-N 2.92Å; F284-V286 PolarHBondContact O-N 3.22Å; V286-K289 PolarHBondContact O-N 3.3Å; V286-F290 VanDerWaalsContact O-CB 3.24Å; V286-F290 WeakPolarHBondContact O-CB 3.31Å; V286-F290 PolarHBondContact O-N 3.28Å |
| 287 | V | 86 | Confident | 84.6 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 44% | 0.442 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 175.6 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | A283 F284 K289 F290 V291 L352 | A283-V287 WeakPolarHBondContact O-CG2 3.33Å; A283-V287 PolarHBondContact O-N 3.09Å; F284-V287 PolarHBondContact O-N 3.05Å; V287-K289 VanDerWaalsContact C-N 3.33Å; V287-K289 PolarHBondContact O-N 2.89Å; V287-F290 PolarHBondContact O-N 3.14Å; V287-V291 HydrophobicContact CG1-CG2 4.37Å; V287-V291 WeakPolarHBondContact O-CG2 3.46Å; V287-V291 PolarHBondContact O-N 3.45Å; V287-L352 HydrophobicContact CB-CD2 3.88Å; V287-L352 HydrophobicContact CG1-CD2 3.65Å |
| 288 | E | 86.8 | Confident | 82 | Confident | 6 Ų | 6 | 76.6 Ų | 76.6 | 3% | 0.028 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 179.5 | -157.6 | 178.8 | 71.3 | 0 | 0 | 111.7 | F284 L285 R292 V348 L352 Y453 | F284-E288 WeakPolarHBondContact O-CB 3.28Å; F284-E288 PolarHBondContact O-N 3.19Å; L285-E288 PolarHBondContact O-N 2.96Å; E288-R292 VanDerWaalsContact CD-NH1 3.35Å; E288-R292 WeakPolarHBondContact O-CB 3.27Å; E288-R292 WeakPolarHBondContact O-CG 3.47Å; E288-R292 PolarHBondContact O-N 3.18Å; E288-R292 IonicContact OE1-CZ 3.98Å; E288-R292 IonicContact OE1-NH1 3.81Å; E288-R292 PolarHBondContact OE1-NH1 2.97Å; E288-R292 IonicContact OE1-NH2 3.66Å; E288-R292 PolarHBondContact OE1-NH2 3.36Å; E288-R292 IonicContact OE2-NH2 3.7Å; E288-R292 PolarHBondContact OE2-NH2 3.08Å; E288-V348 HydrophobicContact CB-CG1 4.49Å; E288-V348 HydrophobicContact CG-CB 4.37Å; E288-V348 HydrophobicContact CG-CG1 3.89Å; E288-L352 HydrophobicContact CB-CD1 3.71Å; E288-L352 HydrophobicContact CG-CD1 3.71Å; E288-Y453 HydrophobicContact CB-CE1 4.47Å; E288-Y453 PolarHBondContact OE1-OH 3.28Å |
| 289 | K | 85.1 | Confident | 79.1 | Confident | 131 Ų | 131 | 75.3 Ų | 75.3 | 57% | 0.57 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.9 | -42.2 | 177.4 | -171.8 | 175.5 | -177.1 | 179 | 0 | 111.9 | L285 V286 V287 R292 L293 | L285-K289 WeakPolarHBondContact O-CB 3.46Å; L285-K289 PolarHBondContact O-N 3.19Å; V286-K289 PolarHBondContact O-N 3.3Å; V287-K289 VanDerWaalsContact C-N 3.33Å; V287-K289 PolarHBondContact O-N 2.89Å; K289-R292 PolarHBondContact O-N 3.36Å; K289-L293 HydrophobicContact CG-CD1 4.36Å; K289-L293 VanDerWaalsContact O-CG 3.3Å; K289-L293 WeakPolarHBondContact O-CG 3.31Å; K289-L293 PolarHBondContact O-N 3.14Å |
| 290 | F | 84.9 | Confident | 76.5 | Confident | 122 Ų | 122 | 83.4 Ų | 83.4 | 54% | 0.535 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 177.8 | 177.3 | -109.4 | 0 | 0 | 0 | 111.8 | V286 V287 R292 L293 L294 | V286-F290 VanDerWaalsContact O-CB 3.24Å; V286-F290 WeakPolarHBondContact O-CB 3.31Å; V286-F290 PolarHBondContact O-N 3.28Å; V287-F290 PolarHBondContact O-N 3.14Å; F290-R292 VanDerWaalsContact C-N 3.35Å; F290-R292 PolarHBondContact O-N 2.65Å; F290-L293 WeakPolarHBondContact O-CB 3.47Å; F290-L293 PolarHBondContact O-N 3.13Å; F290-L293 VanDerWaalsContact O-N 3.12Å; F290-L294 HydrophobicContact CD1-CD1 4.11Å; F290-L294 HydrophobicContact CE1-CD1 3.54Å; F290-L294 HydrophobicContact CE1-CG 4.23Å; F290-L294 HydrophobicContact CE2-CD1 4.47Å; F290-L294 HydrophobicContact CE2-CD2 4.4Å; F290-L294 HydrophobicContact CE2-CG 4.36Å; F290-L294 HydrophobicContact CZ-CD1 3.75Å; F290-L294 HydrophobicContact CZ-CD2 4.24Å; F290-L294 HydrophobicContact CZ-CG 4.11Å; F290-L294 PolarHBondContact O-N 2.83Å |
| 291 | V | 79.3 | Confident | 73.7 | Confident | 39 Ų | 39 | 88.7 Ų | 88.7 | 24% | 0.236 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -67.3 | -35.6 | 178 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | V287 L293 L294 K295 V348 | V287-V291 HydrophobicContact CG1-CG2 4.37Å; V287-V291 WeakPolarHBondContact O-CG2 3.46Å; V287-V291 PolarHBondContact O-N 3.45Å; V291-L293 VanDerWaalsContact C-N 3.35Å; V291-L293 PolarHBondContact O-N 2.87Å; V291-L294 PolarHBondContact O-N 2.98Å; V291-K295 HydrophobicContact CG1-CD 3.86Å; V291-K295 HydrophobicContact CG1-CG 4.36Å; V291-K295 WeakPolarHBondContact O-CB 3.46Å; V291-K295 VanDerWaalsContact O-CG 3.28Å; V291-K295 WeakPolarHBondContact O-CG 3.31Å; V291-K295 PolarHBondContact O-N 3.31Å; V291-V348 HydrophobicContact CB-CG1 3.72Å; V291-V348 HydrophobicContact CB-CG2 4.11Å; V291-V348 HydrophobicContact CG1-CB 4.34Å; V291-V348 HydrophobicContact CG1-CG1 3.9Å; V291-V348 HydrophobicContact CG1-CG2 3.6Å; V291-V348 HydrophobicContact CG2-CG1 4.27Å |
| 292 | R | 82.2 | Confident | 70.9 | Confident | 139 Ų | 139 | 93.9 Ų | 93.9 | 53% | 0.525 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 169.6 | -77.7 | -167.5 | -171.4 | 105.4 | 3.6 | 112.6 | E288 K289 F290 G296 | E288-R292 VanDerWaalsContact CD-NH1 3.35Å; E288-R292 WeakPolarHBondContact O-CB 3.27Å; E288-R292 WeakPolarHBondContact O-CG 3.47Å; E288-R292 PolarHBondContact O-N 3.18Å; E288-R292 IonicContact OE1-CZ 3.98Å; E288-R292 IonicContact OE1-NH1 3.81Å; E288-R292 PolarHBondContact OE1-NH1 2.97Å; E288-R292 IonicContact OE1-NH2 3.66Å; E288-R292 PolarHBondContact OE1-NH2 3.36Å; E288-R292 IonicContact OE2-NH2 3.7Å; E288-R292 PolarHBondContact OE2-NH2 3.08Å; K289-R292 PolarHBondContact O-N 3.36Å; F290-R292 VanDerWaalsContact C-N 3.35Å; F290-R292 PolarHBondContact O-N 2.65Å; R292-G296 PolarHBondContact O-N 2.96Å |
| 293 | L | 83.3 | Confident | 67.7 | Low | 121 Ų | 121 | 94.7 Ų | 94.7 | 63% | 0.634 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.9 | -44.6 | 177.1 | -73 | 166.9 | 0 | 0 | 0 | 111.9 | K289 F290 V291 K295 G296 G297 | K289-L293 HydrophobicContact CG-CD1 4.36Å; K289-L293 VanDerWaalsContact O-CG 3.3Å; K289-L293 WeakPolarHBondContact O-CG 3.31Å; K289-L293 PolarHBondContact O-N 3.14Å; F290-L293 WeakPolarHBondContact O-CB 3.47Å; F290-L293 PolarHBondContact O-N 3.13Å; F290-L293 VanDerWaalsContact O-N 3.12Å; V291-L293 VanDerWaalsContact C-N 3.35Å; V291-L293 PolarHBondContact O-N 2.87Å; L293-K295 PolarHBondContact O-N 2.98Å; L293-G296 PolarHBondContact O-N 2.89Å; L293-G297 PolarHBondContact O-N 3.28Å |
| 294 | L | 79.1 | Confident | 65.1 | Low | 112 Ų | 112 | 100 Ų | 100 | 59% | 0.586 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59 | -46.3 | 175.1 | -69.4 | -178.9 | 0 | 0 | 0 | 112 | F290 V291 G296 G297 | F290-L294 HydrophobicContact CD1-CD1 4.11Å; F290-L294 HydrophobicContact CE1-CD1 3.54Å; F290-L294 HydrophobicContact CE1-CG 4.23Å; F290-L294 HydrophobicContact CE2-CD1 4.47Å; F290-L294 HydrophobicContact CE2-CD2 4.4Å; F290-L294 HydrophobicContact CE2-CG 4.36Å; F290-L294 HydrophobicContact CZ-CD1 3.75Å; F290-L294 HydrophobicContact CZ-CD2 4.24Å; F290-L294 HydrophobicContact CZ-CG 4.11Å; F290-L294 PolarHBondContact O-N 2.83Å; V291-L294 PolarHBondContact O-N 2.98Å; L294-G296 VanDerWaalsContact C-N 3.31Å; L294-G296 PolarHBondContact O-N 3.27Å; L294-G297 PolarHBondContact O-N 2.81Å |
| 295 | K | 76.5 | Confident | 62.2 | Low | 93 Ų | 93 | 103.8 Ų | 103.8 | 40% | 0.404 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.3 | -26.2 | 178.3 | -66.3 | 172.6 | 73.3 | 85.9 | 0 | 113 | V291 L293 G297 E345 V348 | V291-K295 HydrophobicContact CG1-CD 3.86Å; V291-K295 HydrophobicContact CG1-CG 4.36Å; V291-K295 WeakPolarHBondContact O-CB 3.46Å; V291-K295 VanDerWaalsContact O-CG 3.28Å; V291-K295 WeakPolarHBondContact O-CG 3.31Å; V291-K295 PolarHBondContact O-N 3.31Å; L293-K295 PolarHBondContact O-N 2.98Å; K295-G297 VanDerWaalsContact C-N 3.3Å; K295-G297 PolarHBondContact O-N 3.15Å; K295-E345 IonicContact NZ-OE1 2.7Å; K295-E345 PolarHBondContact NZ-OE1 3.18Å; K295-E345 IonicContact NZ-OE2 3.27Å; K295-E345 PolarHBondContact NZ-OE2 2.97Å; K295-V348 HydrophobicContact CD-CG2 4.12Å |
| 296 | G | 55.4 | Low | 59.6 | Low | 55 Ų | 55 | 108.4 Ų | 108.4 | 57% | 0.567 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -75.3 | -11.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R292 L293 L294 H298 | R292-G296 PolarHBondContact O-N 2.96Å; L293-G296 PolarHBondContact O-N 2.89Å; L294-G296 VanDerWaalsContact C-N 3.31Å; L294-G296 PolarHBondContact O-N 3.27Å; G296-H298 VanDerWaalsContact C-N 3.27Å; G296-H298 PolarHBondContact O-N 3.35Å |
| 297 | G | 43.3 | Very low | 56.8 | Low | 56 Ų | 56 | 108.9 Ų | 108.9 | 58% | 0.577 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -9.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117 | L293 L294 K295 | L293-G297 PolarHBondContact O-N 3.28Å; L294-G297 PolarHBondContact O-N 2.81Å; K295-G297 VanDerWaalsContact C-N 3.3Å; K295-G297 PolarHBondContact O-N 3.15Å |
| 298 | H | 43.5 | Very low | 54.3 | Low | 195 Ų | 195 | 110 Ų | 110 | 90% | 0.903 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -128 | 65.4 | -176.5 | -80.1 | 85.9 | 0 | 0 | 0 | 112.2 | G296 | G296-H298 VanDerWaalsContact C-N 3.27Å; G296-H298 PolarHBondContact O-N 3.35Å |
| 299 | G | 35.6 | Very low | 51.7 | Low | 62 Ų | 62 | 114.5 Ų | 114.5 | 64% | 0.639 | 66% | 0.661 | S | S | * | * | trans | -126.8 | 9.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | S301 | G299-S301 PolarHBondContact O-N 3.48Š| ||
| 300 | H | 39.2 | Very low | 49.2 | Very low | 197 Ų | 197 | 118.2 Ų | 118.2 | 91% | 0.912 | 68% | 0.677 | S | S | * | * | trans | -83 | 96.2 | 179.2 | -83.8 | -79.1 | 0 | 0 | 0 | 112.6 | ||||
| 301 | S | 33.2 | Very low | 46.6 | Very low | 111 Ų | 111 | 121.2 Ų | 121.2 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | -127.4 | 126.6 | 160.3 | 60.2 | 0 | 0 | 0 | 0 | 110.3 | G299 S303 | G299-S301 PolarHBondContact O-N 3.48Å; S301-S303 PolarHBondContact O-N 2.76Å | ||
| 302 | H | 38.4 | Very low | 44.2 | Very low | 159 Ų | 159 | 129.1 Ų | 129.1 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | trans | -68.5 | 131.9 | -176.1 | -78 | -123.2 | 0 | 0 | 0 | 111.5 | H304 | H302-H304 AromaticContact CE1-NE2 3.91Å; H302-H304 AromaticContact ND1-CD2 3.54Å; H302-H304 AromaticContact ND1-NE2 3.01Å; H302-H304 PolarHBondContact ND1-NE2 3.19Å | ||
| 303 | S | 27.6 | Very low | 41.6 | Very low | 104 Ų | 104 | 125.9 Ų | 125.9 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -110.9 | 94.1 | 159.3 | -173.1 | 0 | 0 | 0 | 0 | 110 | S301 S305 | S301-S303 PolarHBondContact O-N 2.76Å; S303-S305 VanDerWaalsContact C-N 3.34Å; S303-S305 PolarHBondContact O-N 3.37Å | ||
| 304 | H | 35.6 | Very low | 38.9 | Very low | 146 Ų | 146 | 125 Ų | 125 | 68% | 0.676 | 74% | 0.738 | S | S | * | * | trans | -87.8 | 71 | 168.7 | -77.1 | -81.1 | 0 | 0 | 0 | 110.3 | H302 H306 | H302-H304 AromaticContact CE1-NE2 3.91Å; H302-H304 AromaticContact ND1-CD2 3.54Å; H302-H304 AromaticContact ND1-NE2 3.01Å; H302-H304 PolarHBondContact ND1-NE2 3.19Å; H304-H306 PolarHBondContact O-N 2.78Å | ||
| 305 | S | 29.6 | Very low | 36.5 | Very low | 93 Ų | 93 | 127 Ų | 127 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | trans | -87.9 | 92.1 | 169.7 | 57 | 0 | 0 | 0 | 0 | 110.8 | S303 A307 | S303-S305 VanDerWaalsContact C-N 3.34Å; S303-S305 PolarHBondContact O-N 3.37Å; S305-A307 PolarHBondContact O-N 3.43Å | ||
| 306 | H | 37.2 | Very low | 34.1 | Very low | 179 Ų | 179 | 125.7 Ų | 125.7 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | trans | -66.4 | 97.4 | 169.5 | -82.4 | -87.2 | 0 | 0 | 0 | 110.6 | H304 | H304-H306 PolarHBondContact O-N 2.78Š| ||
| 307 | A | 31.3 | Very low | 32.8 | Very low | 94 Ų | 94 | 132.3 Ų | 132.3 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | -115.1 | 55 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S305 A309 | S305-A307 PolarHBondContact O-N 3.43Å; A307-A309 PolarHBondContact O-N 2.9Å | ||
| 308 | A | 33 | Very low | 32 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -79 | 102 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | K310 | A308-K310 PolarHBondContact O-N 2.86Š| ||
| 309 | A | 32.8 | Very low | 31.2 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | trans | -66.1 | 132.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A307 | A307-A309 PolarHBondContact O-N 2.9Š| ||
| 310 | K | 31.7 | Very low | 30.7 | Very low | 209 Ų | 209 | 137.9 Ų | 137.9 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | trans | -142.1 | 130.4 | 159.3 | -89.2 | -166.6 | 172.8 | -177.4 | 0 | 110.1 | A308 | A308-K310 PolarHBondContact O-N 2.86Š| ||
| 311 | E | 31 | Very low | 30.1 | Very low | 185 Ų | 185 | 134.7 Ų | 134.7 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | -76.6 | 141.3 | 170.2 | -53.8 | 176.8 | 133.5 | 0 | 0 | 110.8 | ||||
| 312 | K | 29.8 | Very low | 29.7 | Very low | 204 Ų | 204 | 136.1 Ų | 136.1 | 89% | 0.887 | 75% | 0.748 | S | S | * | * | 169.4 | 130.4 | 118.6 | -96.2 | -176.4 | 174.7 | -172.6 | 0 | 113.4 | |||||
| 313 | G | 26.8 | Very low | 29.1 | Very low | 71 Ų | 71 | 136.9 Ų | 136.9 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | 83 | 117.8 | 124.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 314 | S | 26.9 | Very low | 29 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | trans | 72.3 | 123.2 | 136.4 | -93 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 315 | D | 27.2 | Very low | 28.6 | Very low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | trans | 75.5 | 150 | 131.5 | -50.4 | -37.6 | 0 | 0 | 0 | 122.8 | ||||
| 316 | G | 26.9 | Very low | 28.6 | Very low | 65 Ų | 65 | 144.1 Ų | 144.1 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | trans | 103.7 | 130.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 317 | E | 27.3 | Very low | 28 | Very low | 193 Ų | 193 | 145.7 Ų | 145.7 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | cis | 58.6 | 135 | 32.4 | -51.7 | -175.4 | 163.6 | 0 | 0 | 112.7 | ||||
| 318 | E | 26.8 | Very low | 28 | Very low | 166 Ų | 166 | 150.8 Ų | 150.8 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | cis | -163.6 | 173.4 | -9.9 | -128.8 | -160.2 | 169.9 | 0 | 0 | 107.3 | ||||
| 319 | E | 27.1 | Very low | 28.4 | Very low | 115 Ų | 115 | 151.7 Ų | 151.7 | 54% | 0.537 | 77% | 0.774 | S | S | . | * | cis | -165.8 | 178.7 | -4.7 | -155 | -156.9 | 151.6 | 0 | 0 | 108.9 | ||||
| 320 | K | 26 | Very low | 28 | Very low | 150 Ų | 150 | 154.2 Ų | 154.2 | 65% | 0.652 | 77% | 0.773 | S | S | * | * | trans | 62.7 | 175.1 | 153.3 | -84.5 | 174.2 | 175 | 76.2 | 0 | 118.6 | ||||
| 321 | E | 26.3 | Very low | 28 | Very low | 130 Ų | 130 | 153.8 Ų | 153.8 | 61% | 0.607 | 77% | 0.771 | S | S | * | * | -159.4 | 170.6 | -54.5 | -129.8 | -157.7 | 135.2 | 0 | 0 | 112.2 | |||||
| 322 | K | 25.3 | Very low | 27.7 | Very low | 140 Ų | 140 | 148.5 Ų | 148.5 | 61% | 0.609 | 77% | 0.766 | S | S | * | * | trans | 61.4 | 111.8 | 148.7 | -78.8 | 174.4 | 172.3 | 79.9 | 0 | 122.5 | ||||
| 323 | K | 26 | Very low | 27.6 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | 82.6 | 111.3 | 115.5 | -73.3 | -174.5 | 176.7 | -171.2 | 0 | 123 | |||||
| 324 | T | 23.6 | Very low | 27.7 | Very low | 112 Ų | 112 | 150.4 Ų | 150.4 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | 66.4 | 118.4 | 110.7 | -49.3 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 325 | K | 28 | Very low | 27.9 | Very low | 205 Ų | 205 | 149.7 Ų | 149.7 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | -159.9 | 142 | 120.2 | -109.6 | 159.6 | -171.6 | 171 | 0 | 113.1 | |||||
| 326 | E | 29 | Very low | 28.1 | Very low | 179 Ų | 179 | 146.9 Ų | 146.9 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | -84 | 152.7 | 172.8 | -57.3 | 166.4 | 101.7 | 0 | 0 | 111.1 | ||||
| 327 | K | 26.1 | Very low | 28.2 | Very low | 211 Ų | 211 | 152.2 Ų | 152.2 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | trans | -166.5 | 129 | 136.5 | -111.1 | 169.5 | -175.3 | -176.1 | 0 | 113.2 | ||||
| 328 | K | 31 | Very low | 28.4 | Very low | 201 Ų | 201 | 148.6 Ų | 148.6 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -126.7 | 170.3 | 157.8 | -98.8 | -177.1 | 179 | 176 | 0 | 106.6 | ||||
| 329 | P | 40.7 | Very low | 28.7 | Very low | 117 Ų | 117 | 150.6 Ų | 150.6 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | cis | -125.9 | 173 | -12.9 | 39.3 | -26.2 | 0 | 0 | 0 | 113 | ||||
| 330 | N | 25.3 | Very low | 28.8 | Very low | 153 Ų | 153 | 152.3 Ų | 152.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | -159.3 | 172.2 | 122.2 | -146.4 | -10.4 | 0 | 0 | 0 | 112.5 | |||||
| 331 | K | 30.3 | Very low | 29.4 | Very low | 200 Ų | 200 | 155.1 Ų | 155.1 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | trans | -85.7 | 152.3 | -179.7 | -54.3 | 164.3 | -178.3 | 173.7 | 0 | 111.6 | ||||
| 332 | G | 26.4 | Very low | 29.8 | Very low | 73 Ų | 73 | 157.1 Ų | 157.1 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | 174.7 | 137.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 333 | A | 27.7 | Very low | 30.5 | Very low | 102 Ų | 102 | 153.8 Ų | 153.8 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | 33.7 | 88.4 | 165 | 0 | 0 | 0 | 0 | 0 | 118 | A335 | A333-A335 VanDerWaalsContact C-N 3.34Å; A333-A335 PolarHBondContact O-N 3.05Å; A333-A335 VanDerWaalsContact O-N 3.09Å | ||
| 334 | K | 27.6 | Very low | 31.9 | Very low | 213 Ų | 213 | 149.1 Ų | 149.1 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | trans | -77.6 | 88.2 | 157.8 | -165.1 | -179.3 | -171.7 | -176.5 | 0 | 108.4 | A336 | K334-A336 PolarHBondContact O-N 3.5Š| ||
| 335 | A | 30.9 | Very low | 34.3 | Very low | 88 Ų | 88 | 150.6 Ų | 150.6 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -58.2 | 128.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109 | A333 E337 | A333-A335 VanDerWaalsContact C-N 3.34Å; A333-A335 PolarHBondContact O-N 3.05Å; A333-A335 VanDerWaalsContact O-N 3.09Å; A335-E337 PolarHBondContact O-N 3.4Å | ||
| 336 | A | 32.3 | Very low | 36.9 | Very low | 96 Ų | 96 | 141 Ų | 141 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | trans | -83.3 | 106.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | K334 | K334-A336 PolarHBondContact O-N 3.5Š| ||
| 337 | E | 29.5 | Very low | 39.5 | Very low | 177 Ų | 177 | 136.1 Ų | 136.1 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | trans | -58.4 | 131.8 | 167.8 | -67.1 | -177.1 | 155.1 | 0 | 0 | 109 | A335 K339 | A335-E337 PolarHBondContact O-N 3.4Å; E337-K339 PolarHBondContact O-N 3.29Å | ||
| 338 | P | 30.6 | Very low | 42.4 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 77% | 0.766 | 69% | 0.692 | S | S | * | * | trans | -64.6 | 123.2 | 175.6 | 27.2 | -32.6 | 0 | 0 | 0 | 108.4 | E340 | P338-E340 VanDerWaalsContact C-N 3.29Å; P338-E340 PolarHBondContact O-N 2.85Å | ||
| 339 | K | 32.3 | Very low | 44.8 | Very low | 207 Ų | 207 | 117.9 Ų | 117.9 | 90% | 0.9 | 66% | 0.655 | S | S | * | * | trans | -66.5 | 91.9 | 169.5 | -76.1 | -171.9 | 175 | -175 | 0 | 108.9 | E337 K341 | E337-K339 PolarHBondContact O-N 3.29Å; K339-K341 PolarHBondContact O-N 3.49Å; K339-K341 VanDerWaalsContact O-N 3.14Å | ||
| 340 | E | 30.6 | Very low | 47.1 | Very low | 151 Ų | 151 | 112.3 Ų | 112.3 | 71% | 0.706 | 62% | 0.618 | S | S | * | * | trans | -50.2 | 121.8 | 162.6 | -75.9 | -163.8 | 137 | 0 | 0 | 108.6 | P338 K342 | P338-E340 VanDerWaalsContact C-N 3.29Å; P338-E340 PolarHBondContact O-N 2.85Å; E340-K342 HydrophobicContact CB-CG 4.4Å; E340-K342 PolarHBondContact O-N 2.89Å; E340-K342 WeakPolarHBondContact OE2-CE 3.47Å | ||
| 341 | K | 36.9 | Very low | 50.1 | Low | 209 Ų | 209 | 111.2 Ų | 111.2 | 91% | 0.909 | 60% | 0.604 | S | S | * | * | trans | -72.7 | 78.1 | 161.2 | -69.9 | -178.9 | -179.4 | 176 | 0 | 107.3 | K339 G343 | K339-K341 PolarHBondContact O-N 3.49Å; K339-K341 VanDerWaalsContact O-N 3.14Å; K341-G343 VanDerWaalsContact C-N 3.3Å; K341-G343 PolarHBondContact O-N 3.21Å | ||
| 342 | K | 35.9 | Very low | 52.8 | Low | 172 Ų | 172 | 102 Ų | 102 | 75% | 0.748 | 56% | 0.564 | S | S | * | * | trans | -58.3 | 101 | 162.8 | -76.1 | -166.2 | 174.2 | -173.7 | 0 | 107.2 | E340 T344 | E340-K342 HydrophobicContact CB-CG 4.4Å; E340-K342 PolarHBondContact O-N 2.89Å; E340-K342 WeakPolarHBondContact OE2-CE 3.47Å; K342-T344 PolarHBondContact O-N 3.1Å | ||
| 343 | G | 40.8 | Very low | 55.8 | Low | 70 Ų | 70 | 98.5 Ų | 98.5 | 72% | 0.722 | 53% | 0.528 | S | S | * | . | trans | -61.6 | 121.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | K341 E345 | K341-G343 VanDerWaalsContact C-N 3.3Å; K341-G343 PolarHBondContact O-N 3.21Å; G343-E345 PolarHBondContact O-N 2.95Å; G343-E345 VanDerWaalsContact O-N 3.08Å | ||
| 344 | T | 55.3 | Low | 58.7 | Low | 77 Ų | 77 | 94.8 Ų | 94.8 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | trans | -64.1 | 112.9 | 169.8 | 38.9 | 0 | 0 | 0 | 0 | 108.2 | K342 G405 K410 | K342-T344 PolarHBondContact O-N 3.1Å; T344-G405 WeakPolarHBondContact CB-O 3.24Å; T344-G405 PolarHBondContact OG1-O 2.86Å; T344-K410 PolarHBondContact O-NZ 3.03Å | ||
| 345 | E | 72.8 | Confident | 61.6 | Low | 143 Ų | 143 | 86.9 Ų | 86.9 | 67% | 0.668 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 130.3 | 170.4 | -160.4 | -165.1 | -169.3 | 0 | 0 | 108 | K295 G343 | K295-E345 IonicContact NZ-OE1 2.7Å; K295-E345 PolarHBondContact NZ-OE1 3.18Å; K295-E345 IonicContact NZ-OE2 3.27Å; K295-E345 PolarHBondContact NZ-OE2 2.97Å; G343-E345 PolarHBondContact O-N 2.95Å; G343-E345 VanDerWaalsContact O-N 3.08Å |
| 346 | I | 81.8 | Confident | 64.3 | Low | 5 Ų | 5 | 82.7 Ų | 82.7 | 3% | 0.026 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 140.5 | -175.4 | -42.1 | 178 | 0 | 0 | 0 | 108.6 | Y351 S404 L414 | I346-Y351 HydrophobicContact CB-CD2 4.22Å; I346-Y351 HydrophobicContact CB-CE2 3.66Å; I346-Y351 HydrophobicContact CD1-CE1 4.06Å; I346-Y351 HydrophobicContact CD1-CE2 4.38Å; I346-Y351 HydrophobicContact CG1-CE2 4.28Å; I346-S404 WeakPolarHBondContact CA-O 3.42Å; I346-S404 WeakPolarHBondContact CG2-OG 3.42Å; I346-L414 HydrophobicContact CD1-CD1 3.94Å |
| 347 | K | 85.4 | Confident | 67.1 | Low | 75 Ų | 75 | 78.2 Ų | 78.2 | 33% | 0.326 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 153.4 | 166 | -61.1 | 179.1 | -173.4 | 161.7 | 0 | 109.8 | S349 G350 Q403 S404 E462 | K347-S349 PolarHBondContact O-N 3.12Å; K347-G350 PolarHBondContact O-N 3.16Å; K347-Q403 WeakPolarHBondContact CE-O 3.38Å; K347-Q403 PolarHBondContact NZ-O 2.78Å; K347-S404 PolarHBondContact N-O 3.46Å; K347-E462 IonicContact NZ-OE1 2.93Å; K347-E462 PolarHBondContact NZ-OE1 2.88Å; K347-E462 IonicContact NZ-OE2 2.84Å; K347-E462 PolarHBondContact NZ-OE2 2.93Å |
| 348 | V | 85.6 | Confident | 70 | Confident | 16 Ų | 16 | 73.8 Ų | 73.8 | 10% | 0.097 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -55.8 | -39.1 | 177.5 | -169.1 | 0 | 0 | 0 | 0 | 112 | E288 V291 K295 G350 Y351 L352 | E288-V348 HydrophobicContact CB-CG1 4.49Å; E288-V348 HydrophobicContact CG-CB 4.37Å; E288-V348 HydrophobicContact CG-CG1 3.89Å; V291-V348 HydrophobicContact CB-CG1 3.72Å; V291-V348 HydrophobicContact CB-CG2 4.11Å; V291-V348 HydrophobicContact CG1-CB 4.34Å; V291-V348 HydrophobicContact CG1-CG1 3.9Å; V291-V348 HydrophobicContact CG1-CG2 3.6Å; V291-V348 HydrophobicContact CG2-CG1 4.27Å; K295-V348 HydrophobicContact CD-CG2 4.12Å; V348-G350 VanDerWaalsContact C-N 3.27Å; V348-G350 PolarHBondContact O-N 3.33Å; V348-Y351 PolarHBondContact O-N 2.88Å; V348-L352 HydrophobicContact CG1-CD1 4.22Å; V348-L352 HydrophobicContact CG1-CG 4.45Å; V348-L352 PolarHBondContact O-N 3.4Å |
| 349 | S | 82.1 | Confident | 72.8 | Confident | 13 Ų | 13 | 69.7 Ų | 69.7 | 9% | 0.091 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -54.9 | -38.1 | 175.8 | 47.7 | 0 | 0 | 0 | 0 | 113.4 | K347 Y351 L352 N353 | K347-S349 PolarHBondContact O-N 3.12Å; S349-Y351 VanDerWaalsContact C-N 3.3Å; S349-Y351 PolarHBondContact O-N 2.79Å; S349-L352 PolarHBondContact O-N 2.87Å; S349-N353 WeakPolarHBondContact O-CB 3.34Å; S349-N353 PolarHBondContact O-N 2.91Å |
| 350 | G | 88.1 | Confident | 75.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69 | -23.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K347 V348 L354 S404 | K347-G350 PolarHBondContact O-N 3.16Å; V348-G350 VanDerWaalsContact C-N 3.27Å; V348-G350 PolarHBondContact O-N 3.33Å; G350-L354 WeakPolarHBondContact O-CD1 3.18Å; G350-L354 WeakPolarHBondContact O-CG 3.19Å; G350-S404 WeakPolarHBondContact CA-OG 3.35Å |
| 351 | Y | 89.1 | Confident | 78.5 | Confident | 130 Ų | 130 | 52.8 Ų | 52.8 | 51% | 0.51 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -83.3 | -36.8 | 172.2 | -70.4 | -72.9 | 0 | 0 | 0 | 112.3 | I346 V348 S349 N353 A355 | I346-Y351 HydrophobicContact CB-CD2 4.22Å; I346-Y351 HydrophobicContact CB-CE2 3.66Å; I346-Y351 HydrophobicContact CD1-CE1 4.06Å; I346-Y351 HydrophobicContact CD1-CE2 4.38Å; I346-Y351 HydrophobicContact CG1-CE2 4.28Å; V348-Y351 PolarHBondContact O-N 2.88Å; S349-Y351 VanDerWaalsContact C-N 3.3Å; S349-Y351 PolarHBondContact O-N 2.79Å; Y351-N353 VanDerWaalsContact C-N 3.29Å; Y351-A355 PolarHBondContact O-N 3.5Å |
| 352 | L | 87 | Confident | 81.2 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.9 | -40.2 | 172.7 | -67.9 | 168.9 | 0 | 0 | 0 | 110.8 | F284 V287 E288 V348 S349 A355 A356 Y453 | F284-L352 HydrophobicContact CD1-CB 4.09Å; F284-L352 HydrophobicContact CD1-CD2 3.94Å; F284-L352 HydrophobicContact CD1-CG 4.49Å; F284-L352 HydrophobicContact CE1-CB 4.19Å; F284-L352 HydrophobicContact CE1-CD2 4.42Å; F284-L352 WeakPolarHBondContact CE1-O 3.4Å; F284-L352 HydrophobicContact CG-CD2 4.44Å; V287-L352 HydrophobicContact CB-CD2 3.88Å; V287-L352 HydrophobicContact CG1-CD2 3.65Å; E288-L352 HydrophobicContact CB-CD1 3.71Å; E288-L352 HydrophobicContact CG-CD1 3.71Å; V348-L352 HydrophobicContact CG1-CD1 4.22Å; V348-L352 HydrophobicContact CG1-CG 4.45Å; V348-L352 PolarHBondContact O-N 3.4Å; S349-L352 PolarHBondContact O-N 2.87Å; L352-A355 WeakPolarHBondContact O-CB 3.49Å; L352-A355 PolarHBondContact O-N 2.86Å; L352-A355 VanDerWaalsContact O-N 3.14Å; L352-A356 PolarHBondContact O-N 3.12Å; L352-Y453 HydrophobicContact CD1-CE1 4.25Å |
| 353 | N | 88.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.7 | -56.2 | 176.9 | -148.1 | 104.8 | 0 | 0 | 0 | 111.7 | S349 Y351 A355 A356 D357 D397 I400 | S349-N353 WeakPolarHBondContact O-CB 3.34Å; S349-N353 PolarHBondContact O-N 2.91Å; Y351-N353 VanDerWaalsContact C-N 3.29Å; N353-A355 PolarHBondContact O-N 3.19Å; N353-A355 VanDerWaalsContact O-N 3.13Å; N353-A356 PolarHBondContact O-N 2.71Å; N353-D357 WeakPolarHBondContact O-CB 3.32Å; N353-D357 PolarHBondContact O-N 2.88Å; N353-D397 WeakPolarHBondContact ND2-CB 3.42Å; N353-D397 PolarHBondContact ND2-OD1 3.33Å; N353-D397 PolarHBondContact ND2-OD2 2.78Å; N353-I400 HydrophobicContact CB-CG2 4.14Å; N353-I400 WeakPolarHBondContact OD1-CB 3.45Å; N353-I400 WeakPolarHBondContact OD1-CD1 3.42Å; N353-I400 VanDerWaalsContact OD1-CG2 3.25Å; N353-I400 WeakPolarHBondContact OD1-CG2 3.31Å |
| 354 | L | 89.9 | Confident | 86.2 | Confident | 24 Ų | 24 | 33.6 Ų | 33.6 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.5 | -24.4 | 178.1 | -69.6 | 167.1 | 0 | 0 | 0 | 113.5 | G350 F358 L401 L414 T418 | G350-L354 WeakPolarHBondContact O-CD1 3.18Å; G350-L354 WeakPolarHBondContact O-CG 3.19Å; L354-F358 WeakPolarHBondContact O-CB 3.32Å; L354-F358 PolarHBondContact O-N 2.97Å; L354-F358 VanDerWaalsContact O-N 3.11Å; L354-L401 HydrophobicContact CD1-CD2 3.93Å; L354-L401 HydrophobicContact CD2-CD1 3.95Å; L354-L401 HydrophobicContact CD2-CD2 4.42Å; L354-L401 HydrophobicContact CG-CD1 4.41Å; L354-L401 HydrophobicContact CG-CD2 4.06Å; L354-L414 HydrophobicContact CD1-CB 3.92Å; L354-L414 HydrophobicContact CD1-CD1 4.19Å; L354-L414 HydrophobicContact CD1-CD2 4.16Å; L354-L414 HydrophobicContact CD1-CG 4.32Å; L354-L414 HydrophobicContact CD2-CB 3.85Å; L354-L414 WeakPolarHBondContact CD2-O 3.15Å; L354-T418 HydrophobicContact CB-CG2 4.5Å; L354-T418 HydrophobicContact CD2-CG2 3.9Å |
| 355 | A | 88.7 | Confident | 88 | Confident | 47 Ų | 47 | 29.9 Ų | 29.9 | 39% | 0.388 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -80.2 | -35.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y351 L352 N353 T359 | Y351-A355 PolarHBondContact O-N 3.5Å; L352-A355 WeakPolarHBondContact O-CB 3.49Å; L352-A355 PolarHBondContact O-N 2.86Å; L352-A355 VanDerWaalsContact O-N 3.14Å; N353-A355 PolarHBondContact O-N 3.19Å; N353-A355 VanDerWaalsContact O-N 3.13Å; A355-T359 PolarHBondContact O-N 3.45Å; A355-T359 PolarHBondContact O-OG1 2.81Å |
| 356 | A | 87.9 | Confident | 88.8 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -71.3 | -51.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | F284 L352 N353 F358 T359 H360 F451 I454 | F284-A356 HydrophobicContact CE1-CB 3.85Å; F284-A356 HydrophobicContact CZ-CB 3.72Å; L352-A356 PolarHBondContact O-N 3.12Å; N353-A356 PolarHBondContact O-N 2.71Å; A356-F358 PolarHBondContact O-N 3.05Å; A356-T359 CarbonylContact O-C 3.55Å; A356-T359 WeakPolarHBondContact O-CA 3.3Å; A356-T359 WeakPolarHBondContact O-CB 3.32Å; A356-T359 PolarHBondContact O-N 3.47Å; A356-H360 PolarHBondContact O-N 2.77Å; A356-F451 HydrophobicContact CB-CD1 3.71Å; A356-F451 HydrophobicContact CB-CE1 3.63Å; A356-I454 HydrophobicContact CB-CD1 3.39Å |
| 357 | D | 89.8 | Confident | 89.2 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.011 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -44.7 | -58.1 | 171.9 | 171.4 | -3.4 | 0 | 0 | 0 | 111.4 | N353 T359 H360 N361 D397 T418 | N353-D357 WeakPolarHBondContact O-CB 3.32Å; N353-D357 PolarHBondContact O-N 2.88Å; D357-T359 PolarHBondContact O-N 2.95Å; D357-T359 VanDerWaalsContact O-N 3.12Å; D357-H360 PolarHBondContact O-N 3.02Å; D357-N361 WeakPolarHBondContact O-CB 3.36Å; D357-N361 PolarHBondContact O-N 3.43Å; D357-N361 PolarHBondContact OD1-ND2 2.68Å; D357-D397 WeakPolarHBondContact CB-OD2 3.36Å; D357-T418 HydrophobicContact CB-CG2 4.13Å; D357-T418 VanDerWaalsContact CG-CB 3.5Å; D357-T418 VanDerWaalsContact CG-CG2 3.44Å; D357-T418 WeakPolarHBondContact OD1-CB 3.47Å; D357-T418 PolarHBondContact OD1-OG1 3.12Å; D357-T418 VanDerWaalsContact OD2-CG2 3.23Å; D357-T418 WeakPolarHBondContact OD2-CG2 3.46Å; D357-T418 PolarHBondContact OD2-OG1 3.42Å; D357-T418 VanDerWaalsContact OD2-OG1 3.13Å |
| 358 | F | 91.4 | Very high | 89.6 | Confident | 83 Ų | 83 | 21.2 Ų | 21.2 | 36% | 0.364 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -55.1 | -33.6 | 175.6 | 176.9 | -86.1 | 0 | 0 | 0 | 114 | L354 A356 F362 T418 G421 | L354-F358 WeakPolarHBondContact O-CB 3.32Å; L354-F358 PolarHBondContact O-N 2.97Å; L354-F358 VanDerWaalsContact O-N 3.11Å; A356-F358 PolarHBondContact O-N 3.05Å; F358-F362 VanDerWaalsContact O-CB 3.28Å; F358-F362 WeakPolarHBondContact O-CB 3.34Å; F358-F362 PolarHBondContact O-N 3.05Å; F358-F362 VanDerWaalsContact O-N 3.11Å; F358-T418 HydrophobicContact CB-CG2 3.95Å; F358-G421 VanDerWaalsContact CE2-CA 3.45Å |
| 359 | T | 88.6 | Confident | 89.8 | Confident | 33 Ų | 33 | 20.5 Ų | 20.5 | 20% | 0.202 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -81.8 | -35.1 | -177.3 | -49.7 | 0 | 0 | 0 | 0 | 111.8 | A355 A356 D357 F362 T363 I443 T447 | A355-T359 PolarHBondContact O-N 3.45Å; A355-T359 PolarHBondContact O-OG1 2.81Å; A356-T359 CarbonylContact O-C 3.55Å; A356-T359 WeakPolarHBondContact O-CA 3.3Å; A356-T359 WeakPolarHBondContact O-CB 3.32Å; A356-T359 PolarHBondContact O-N 3.47Å; D357-T359 PolarHBondContact O-N 2.95Å; D357-T359 VanDerWaalsContact O-N 3.12Å; T359-F362 PolarHBondContact O-N 3.03Å; T359-T363 PolarHBondContact O-N 3.24Å; T359-T363 VanDerWaalsContact O-N 3.13Å; T359-T363 PolarHBondContact O-OG1 3.44Å; T359-I443 HydrophobicContact CG2-CG2 3.47Å; T359-I443 VanDerWaalsContact CG2-CG2 3.47Å; T359-T447 VanDerWaalsContact CG2-OG1 3.24Å; T359-T447 WeakPolarHBondContact CG2-OG1 3.22Å |
| 360 | H | 90.9 | Very high | 90.2 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.009 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.1 | -55.6 | 170.8 | -176.2 | 60.1 | 0 | 0 | 0 | 110.4 | D226 A356 D357 F362 T363 D364 H393 T447 F451 | D226-H360 IonicContact OD1-CE1 2.7Å; D226-H360 IonicContact OD2-CE1 3.06Å; A356-H360 PolarHBondContact O-N 2.77Å; D357-H360 PolarHBondContact O-N 3.02Å; H360-F362 PolarHBondContact O-N 3.13Å; H360-T363 WeakPolarHBondContact O-CA 3.42Å; H360-T363 PolarHBondContact O-N 3.14Å; H360-T363 PolarHBondContact O-OG1 3.07Å; H360-D364 IonicContact CD2-OD2 3.88Å; H360-D364 IonicContact CE1-OD1 3.93Å; H360-D364 IonicContact CG-OD2 3.86Å; H360-D364 IonicContact ND1-OD1 3.64Å; H360-D364 IonicContact NE2-OD2 3.89Å; H360-D364 PolarHBondContact O-N 2.7Å; H360-D364 VanDerWaalsContact O-OD1 3.04Å; H360-H393 AromaticContact NE2-CD2 3.99Å; H360-H393 AromaticContact NE2-CE1 3.9Å; H360-H393 AromaticContact NE2-ND1 3.97Å; H360-T447 HydrophobicContact CB-CG2 3.89Å; H360-F451 HydrophobicContact CB-CE1 4.42Å; H360-F451 HydrophobicContact CB-CE2 4.03Å; H360-F451 HydrophobicContact CB-CZ 3.52Å; H360-F451 AromaticContact CD2-CE2 3.91Å; H360-F451 AromaticContact CD2-CZ 3.68Å; H360-F451 AromaticContact CE1-CE2 3.91Å; H360-F451 AromaticContact CG-CE2 3.68Å; H360-F451 AromaticContact CG-CZ 3.53Å; H360-F451 AromaticContact ND1-CE2 3.7Å |
| 361 | N | 92.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -49.4 | -40.1 | 173.1 | -105.9 | -90.6 | 0 | 0 | 0 | 111.2 | D357 D364 G365 E390 A422 | D357-N361 WeakPolarHBondContact O-CB 3.36Å; D357-N361 PolarHBondContact O-N 3.43Å; D357-N361 PolarHBondContact OD1-ND2 2.68Å; N361-D364 WeakPolarHBondContact CA-OD2 3.41Å; N361-D364 PolarHBondContact N-OD2 2.64Å; N361-D364 PolarHBondContact O-N 3.11Å; N361-G365 PolarHBondContact O-N 2.89Å; N361-E390 PolarHBondContact ND2-OE1 3.49Å; N361-A422 HydrophobicContact CB-CB 4.1Å; N361-A422 WeakPolarHBondContact O-CA 3.16Å; N361-A422 VanDerWaalsContact O-CB 3.26Å; N361-A422 WeakPolarHBondContact O-CB 3.45Å; N361-A422 PolarHBondContact O-N 2.91Å; N361-A422 WeakPolarHBondContact OD1-CB 3.32Å |
| 362 | F | 92.1 | Very high | 90.3 | Very high | 39 Ų | 39 | 16.6 Ų | 16.6 | 17% | 0.171 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.3 | -40.9 | 174.6 | 177.7 | -91.7 | 0 | 0 | 0 | 114.1 | F358 T359 H360 G365 L366 G421 A424 G425 I443 | F358-F362 VanDerWaalsContact O-CB 3.28Å; F358-F362 WeakPolarHBondContact O-CB 3.34Å; F358-F362 PolarHBondContact O-N 3.05Å; F358-F362 VanDerWaalsContact O-N 3.11Å; T359-F362 PolarHBondContact O-N 3.03Å; H360-F362 PolarHBondContact O-N 3.13Å; F362-G365 PolarHBondContact O-N 2.88Å; F362-L366 HydrophobicContact CD1-CD1 4.03Å; F362-L366 HydrophobicContact CD1-CG 4.47Å; F362-L366 HydrophobicContact CE1-CD1 3.55Å; F362-L366 HydrophobicContact CE1-CG 4.07Å; F362-L366 HydrophobicContact CZ-CD1 4.2Å; F362-L366 HydrophobicContact CZ-CD2 4.42Å; F362-L366 HydrophobicContact CZ-CG 4.34Å; F362-L366 WeakPolarHBondContact O-CG 3.48Å; F362-L366 PolarHBondContact O-N 3Å; F362-G421 WeakPolarHBondContact CA-O 3.23Å; F362-G421 WeakPolarHBondContact CD2-O 3.14Å; F362-A424 HydrophobicContact CD2-CB 4.14Å; F362-A424 HydrophobicContact CE2-CB 4.24Å; F362-G425 WeakPolarHBondContact O-CA 3.43Å; F362-I443 HydrophobicContact CD1-CD1 4.11Å; F362-I443 HydrophobicContact CE1-CD1 3.66Å |
| 363 | T | 90.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.012 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.5 | -36.5 | 172.8 | 42.3 | 0 | 0 | 0 | 0 | 112.8 | T359 H360 G365 L366 A367 I443 L444 | T359-T363 PolarHBondContact O-N 3.24Å; T359-T363 VanDerWaalsContact O-N 3.13Å; T359-T363 PolarHBondContact O-OG1 3.44Å; H360-T363 WeakPolarHBondContact O-CA 3.42Å; H360-T363 PolarHBondContact O-N 3.14Å; H360-T363 PolarHBondContact O-OG1 3.07Å; T363-G365 VanDerWaalsContact C-N 3.31Å; T363-G365 PolarHBondContact O-N 3.4Å; T363-L366 WeakPolarHBondContact O-CB 3.39Å; T363-L366 PolarHBondContact O-N 3.46Å; T363-L366 VanDerWaalsContact O-N 3.13Å; T363-A367 PolarHBondContact O-N 3.01Å; T363-I443 HydrophobicContact CG2-CB 3.92Å; T363-I443 HydrophobicContact CG2-CG2 3.47Å; T363-I443 VanDerWaalsContact CG2-CG2 3.47Å; T363-L444 HydrophobicContact CG2-CD2 3.77Å; T363-L444 HydrophobicContact CG2-CG 4.22Å |
| 364 | D | 91.7 | Very high | 90.3 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 3% | 0.032 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.9 | -39.7 | 177.6 | -46.3 | -22 | 0 | 0 | 0 | 109.9 | I188 H360 N361 A367 I368 I386 | I188-D364 HydrophobicContact CD1-CB 4.36Å; H360-D364 IonicContact CD2-OD2 3.88Å; H360-D364 IonicContact CE1-OD1 3.93Å; H360-D364 IonicContact CG-OD2 3.86Å; H360-D364 IonicContact ND1-OD1 3.64Å; H360-D364 IonicContact NE2-OD2 3.89Å; H360-D364 PolarHBondContact O-N 2.7Å; H360-D364 VanDerWaalsContact O-OD1 3.04Å; N361-D364 WeakPolarHBondContact CA-OD2 3.41Å; N361-D364 PolarHBondContact N-OD2 2.64Å; N361-D364 PolarHBondContact O-N 3.11Å; D364-A367 PolarHBondContact O-N 3.45Å; D364-I368 WeakPolarHBondContact O-CG1 3.45Å; D364-I368 PolarHBondContact O-N 3.47Å; D364-I386 HydrophobicContact CB-CD1 4.08Å; D364-I386 HydrophobicContact CB-CG1 4.4Å; D364-I386 HydrophobicContact CB-CG2 3.86Å |
| 365 | G | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.5 | -45.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N361 F362 T363 A367 I368 G369 A422 G425 T426 | N361-G365 PolarHBondContact O-N 2.89Å; F362-G365 PolarHBondContact O-N 2.88Å; T363-G365 VanDerWaalsContact C-N 3.31Å; T363-G365 PolarHBondContact O-N 3.4Å; G365-A367 VanDerWaalsContact C-N 3.33Å; G365-A367 PolarHBondContact O-N 3.47Å; G365-I368 PolarHBondContact O-N 3.44Å; G365-G369 PolarHBondContact O-N 3.43Å; G365-A422 WeakPolarHBondContact CA-O 3.41Å; G365-G425 VanDerWaalsContact C-C 3.45Å; G365-T426 VanDerWaalsContact CA-OG1 3.26Å; G365-T426 WeakPolarHBondContact CA-OG1 3.47Å; G365-T426 WeakPolarHBondContact O-CA 3.08Å; G365-T426 WeakPolarHBondContact O-CB 3.49Å; G365-T426 PolarHBondContact O-N 2.85Å; G365-T426 VanDerWaalsContact O-N 3.16Å; G365-T426 PolarHBondContact O-OG1 3.44Å |
| 366 | L | 91.4 | Very high | 90.1 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.8 | -43.6 | 175 | -73.8 | 169.2 | 0 | 0 | 0 | 111.3 | F362 T363 G369 A370 G425 C428 S429 A439 | F362-L366 HydrophobicContact CD1-CD1 4.03Å; F362-L366 HydrophobicContact CD1-CG 4.47Å; F362-L366 HydrophobicContact CE1-CD1 3.55Å; F362-L366 HydrophobicContact CE1-CG 4.07Å; F362-L366 HydrophobicContact CZ-CD1 4.2Å; F362-L366 HydrophobicContact CZ-CD2 4.42Å; F362-L366 HydrophobicContact CZ-CG 4.34Å; F362-L366 WeakPolarHBondContact O-CG 3.48Å; F362-L366 PolarHBondContact O-N 3Å; T363-L366 WeakPolarHBondContact O-CB 3.39Å; T363-L366 PolarHBondContact O-N 3.46Å; T363-L366 VanDerWaalsContact O-N 3.13Å; L366-G369 PolarHBondContact O-N 3.18Å; L366-A370 WeakPolarHBondContact O-CB 3.47Å; L366-A370 PolarHBondContact O-N 3.47Å; L366-G425 WeakPolarHBondContact CD2-O 3.49Å; L366-C428 HydrophobicContact CD2-CB 4.11Å; L366-S429 WeakPolarHBondContact O-CB 3.32Å; L366-S429 PolarHBondContact O-OG 3.49Å; L366-A439 HydrophobicContact CD1-CB 3.66Å |
| 367 | A | 89.7 | Confident | 90.1 | Very high | 39 Ų | 39 | 30.6 Ų | 30.6 | 32% | 0.322 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.3 | -42.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T363 D364 G365 A370 S371 T382 I386 | T363-A367 PolarHBondContact O-N 3.01Å; D364-A367 PolarHBondContact O-N 3.45Å; G365-A367 VanDerWaalsContact C-N 3.33Å; G365-A367 PolarHBondContact O-N 3.47Å; A367-A370 PolarHBondContact O-N 3.23Å; A367-S371 VanDerWaalsContact O-CB 3.31Å; A367-S371 WeakPolarHBondContact O-CB 3.25Å; A367-S371 PolarHBondContact O-N 2.85Å; A367-S371 PolarHBondContact O-OG 3.26Å; A367-T382 HydrophobicContact CB-CG2 4.17Å; A367-I386 HydrophobicContact CB-CD1 4.28Å |
| 368 | I | 92.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60 | -47.7 | 171.3 | -72.5 | -180 | 0 | 0 | 0 | 110.6 | A184 I188 D364 G365 A370 S371 F372 I386 T426 | A184-I368 HydrophobicContact CB-CG2 3.97Å; I188-I368 HydrophobicContact CD1-CD1 3.62Å; I188-I368 HydrophobicContact CG1-CD1 4.05Å; I188-I368 HydrophobicContact CG2-CD1 3.99Å; D364-I368 WeakPolarHBondContact O-CG1 3.45Å; D364-I368 PolarHBondContact O-N 3.47Å; G365-I368 PolarHBondContact O-N 3.44Å; I368-A370 VanDerWaalsContact C-N 3.35Å; I368-A370 PolarHBondContact O-N 2.96Å; I368-S371 WeakPolarHBondContact CA-OG 3.17Å; I368-S371 PolarHBondContact O-N 2.97Å; I368-S371 PolarHBondContact O-OG 3.37Å; I368-F372 HydrophobicContact CG2-CD2 3.86Å; I368-F372 HydrophobicContact CG2-CE2 4.06Å; I368-F372 WeakPolarHBondContact O-CD2 3.32Å; I368-F372 PolarHBondContact O-N 2.98Å; I368-F372 VanDerWaalsContact O-N 3.09Å; I368-I386 HydrophobicContact CD1-CD1 4.14Å; I368-I386 HydrophobicContact CG1-CD1 3.69Å; I368-T426 HydrophobicContact CG2-CG2 4.41Å |
| 369 | G | 91.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | G365 L366 L373 | G365-G369 PolarHBondContact O-N 3.43Å; L366-G369 PolarHBondContact O-N 3.18Å; G369-L373 WeakPolarHBondContact O-CG 3.37Å; G369-L373 PolarHBondContact O-N 3.35Å |
| 370 | A | 88.9 | Confident | 89.9 | Confident | 40 Ų | 40 | 30.4 Ų | 30.4 | 33% | 0.331 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69.5 | -44.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L366 A367 I368 F372 L373 V374 S429 | L366-A370 WeakPolarHBondContact O-CB 3.47Å; L366-A370 PolarHBondContact O-N 3.47Å; A367-A370 PolarHBondContact O-N 3.23Å; I368-A370 VanDerWaalsContact C-N 3.35Å; I368-A370 PolarHBondContact O-N 2.96Å; A370-F372 PolarHBondContact O-N 3.29Å; A370-L373 WeakPolarHBondContact O-CB 3.28Å; A370-L373 PolarHBondContact O-N 3.01Å; A370-L373 VanDerWaalsContact O-N 3.15Å; A370-V374 PolarHBondContact O-N 3.13Å; A370-V374 VanDerWaalsContact O-N 3.15Å; A370-S429 PolarHBondContact N-OG 3.15Å |
| 371 | S | 89.6 | Confident | 89.8 | Confident | 8 Ų | 8 | 34 Ų | 34 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.1 | -36.3 | 179.6 | 50.8 | 0 | 0 | 0 | 0 | 112.8 | A367 I368 V374 N375 G379 T382 | A367-S371 VanDerWaalsContact O-CB 3.31Å; A367-S371 WeakPolarHBondContact O-CB 3.25Å; A367-S371 PolarHBondContact O-N 2.85Å; A367-S371 PolarHBondContact O-OG 3.26Å; I368-S371 WeakPolarHBondContact CA-OG 3.17Å; I368-S371 PolarHBondContact O-N 2.97Å; I368-S371 PolarHBondContact O-OG 3.37Å; S371-V374 PolarHBondContact O-N 3.21Å; S371-N375 PolarHBondContact O-N 3Å; S371-N375 VanDerWaalsContact O-N 3.09Å; S371-G379 PolarHBondContact O-N 3.27Å; S371-T382 WeakPolarHBondContact CB-OG1 3.4Å; S371-T382 WeakPolarHBondContact OG-CB 3.38Å |
| 372 | F | 91.3 | Very high | 89.7 | Confident | 14 Ų | 14 | 35.3 Ų | 35.3 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.3 | -25.1 | 171.9 | -84.6 | -74 | 0 | 0 | 0 | 114.3 | Q180 A181 A184 I368 A370 V374 P376 | Q180-F372 HydrophobicContact CB-CD1 3.94Å; Q180-F372 HydrophobicContact CB-CE1 3.66Å; Q180-F372 HydrophobicContact CB-CZ 4.25Å; A181-F372 HydrophobicContact CB-CB 3.99Å; A181-F372 HydrophobicContact CB-CD2 3.91Å; A181-F372 HydrophobicContact CB-CG 4.03Å; A184-F372 HydrophobicContact CB-CE2 3.63Å; A184-F372 HydrophobicContact CB-CZ 4.16Å; I368-F372 HydrophobicContact CG2-CD2 3.86Å; I368-F372 HydrophobicContact CG2-CE2 4.06Å; I368-F372 WeakPolarHBondContact O-CD2 3.32Å; I368-F372 PolarHBondContact O-N 2.98Å; I368-F372 VanDerWaalsContact O-N 3.09Å; A370-F372 PolarHBondContact O-N 3.29Å; F372-V374 VanDerWaalsContact C-N 3.33Å; F372-P376 HydrophobicContact CE1-CB 4.44Å |
| 373 | L | 88.5 | Confident | 89.7 | Confident | 80 Ų | 80 | 34 Ų | 34 | 42% | 0.419 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.7 | -31.5 | 168.3 | -72.4 | 166.3 | 0 | 0 | 0 | 112 | L177 G369 A370 L430 | L177-L373 HydrophobicContact CD1-CD2 4.22Å; L177-L373 HydrophobicContact CD2-CD2 4.24Å; G369-L373 WeakPolarHBondContact O-CG 3.37Å; G369-L373 PolarHBondContact O-N 3.35Å; A370-L373 WeakPolarHBondContact O-CB 3.28Å; A370-L373 PolarHBondContact O-N 3.01Å; A370-L373 VanDerWaalsContact O-N 3.15Å; L373-L430 HydrophobicContact CD1-CD2 4.34Å; L373-L430 HydrophobicContact CD2-CD2 4.19Å; L373-L430 HydrophobicContact CG-CD2 3.96Å |
| 374 | V | 86.1 | Confident | 89.7 | Confident | 91 Ų | 91 | 35.8 Ų | 35.8 | 55% | 0.552 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -73 | -54.1 | 175.3 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | A370 S371 F372 V378 | A370-V374 PolarHBondContact O-N 3.13Å; A370-V374 VanDerWaalsContact O-N 3.15Å; S371-V374 PolarHBondContact O-N 3.21Å; F372-V374 VanDerWaalsContact C-N 3.33Å; V374-V378 HydrophobicContact CG1-CG2 4.31Å |
| 375 | N | 85.5 | Confident | 89.5 | Confident | 64 Ų | 64 | 35.6 Ų | 35.6 | 34% | 0.342 | 23% | 0.231 | S | C | . | . | trans | -176.8 | 163.4 | 162.8 | 58 | 79.4 | 0 | 0 | 0 | 111.9 | S371 A377 V378 G379 | S371-N375 PolarHBondContact O-N 3Å; S371-N375 VanDerWaalsContact O-N 3.09Å; N375-A377 PolarHBondContact O-N 3.15Å; N375-A377 VanDerWaalsContact O-N 3.13Å; N375-A377 WeakPolarHBondContact OD1-CA 3.29Å; N375-A377 WeakPolarHBondContact OD1-CB 3.42Å; N375-A377 PolarHBondContact OD1-N 2.98Å; N375-V378 WeakPolarHBondContact ND2-CG2 3.47Å; N375-V378 PolarHBondContact O-N 3.45Å; N375-V378 PolarHBondContact OD1-N 3.09Å; N375-G379 PolarHBondContact O-N 3.23Å | ||
| 376 | P | 89.6 | Confident | 89.4 | Confident | 70 Ų | 70 | 35.8 Ų | 35.8 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.8 | -26.2 | 178.2 | -31 | 38.6 | 0 | 0 | 0 | 116.8 | Q180 F372 A380 | Q180-P376 VanDerWaalsContact OE1-CB 3.3Å; F372-P376 HydrophobicContact CE1-CB 4.44Å; P376-A380 VanDerWaalsContact O-CB 3.28Å; P376-A380 WeakPolarHBondContact O-CB 3.26Å; P376-A380 PolarHBondContact O-N 2.89Å |
| 377 | A | 87.3 | Confident | 89.3 | Confident | 67 Ų | 67 | 36.7 Ų | 36.7 | 55% | 0.554 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -78 | -43.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N375 A380 V381 | N375-A377 PolarHBondContact O-N 3.15Å; N375-A377 VanDerWaalsContact O-N 3.13Å; N375-A377 WeakPolarHBondContact OD1-CA 3.29Å; N375-A377 WeakPolarHBondContact OD1-CB 3.42Å; N375-A377 PolarHBondContact OD1-N 2.98Å; A377-A380 PolarHBondContact O-N 2.97Å; A377-V381 WeakPolarHBondContact O-CG2 3.47Å; A377-V381 PolarHBondContact O-N 3.03Å |
| 378 | V | 85.6 | Confident | 89.1 | Confident | 58 Ų | 58 | 35.6 Ų | 35.6 | 35% | 0.352 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.4 | -46.8 | 171.4 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | V374 N375 A380 V381 T382 | V374-V378 HydrophobicContact CG1-CG2 4.31Å; N375-V378 WeakPolarHBondContact ND2-CG2 3.47Å; N375-V378 PolarHBondContact O-N 3.45Å; N375-V378 PolarHBondContact OD1-N 3.09Å; V378-A380 VanDerWaalsContact C-N 3.32Å; V378-A380 PolarHBondContact O-N 3.43Å; V378-V381 PolarHBondContact O-N 2.84Å; V378-V381 VanDerWaalsContact O-N 3.09Å; V378-T382 PolarHBondContact O-N 3.21Å; V378-T382 PolarHBondContact O-OG1 2.8Å |
| 379 | G | 89.9 | Confident | 88.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -52 | -45.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S371 N375 T383 | S371-G379 PolarHBondContact O-N 3.27Å; N375-G379 PolarHBondContact O-N 3.23Å; G379-T383 VanDerWaalsContact O-CB 3.31Å; G379-T383 WeakPolarHBondContact O-CB 3.41Å; G379-T383 PolarHBondContact O-N 3.37Å; G379-T383 PolarHBondContact O-OG1 3.49Å |
| 380 | A | 90.4 | Very high | 88.7 | Confident | 55 Ų | 55 | 35.8 Ų | 35.8 | 46% | 0.455 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.5 | -34.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P376 A377 V378 L384 | P376-A380 VanDerWaalsContact O-CB 3.28Å; P376-A380 WeakPolarHBondContact O-CB 3.26Å; P376-A380 PolarHBondContact O-N 2.89Å; A377-A380 PolarHBondContact O-N 2.97Å; V378-A380 VanDerWaalsContact C-N 3.32Å; V378-A380 PolarHBondContact O-N 3.43Å; A380-L384 PolarHBondContact O-N 3.17Å |
| 381 | V | 88.4 | Confident | 88.4 | Confident | 79 Ų | 79 | 34.3 Ų | 34.3 | 48% | 0.479 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70 | -51.3 | 175.2 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | A377 V378 T383 L384 T385 | A377-V381 WeakPolarHBondContact O-CG2 3.47Å; A377-V381 PolarHBondContact O-N 3.03Å; V378-V381 PolarHBondContact O-N 2.84Å; V378-V381 VanDerWaalsContact O-N 3.09Å; V381-T383 VanDerWaalsContact C-N 3.27Å; V381-T383 PolarHBondContact O-N 3.27Å; V381-L384 WeakPolarHBondContact O-CA 3.5Å; V381-L384 WeakPolarHBondContact O-CB 3.45Å; V381-L384 PolarHBondContact O-N 2.92Å; V381-T385 PolarHBondContact O-N 2.89Å; V381-T385 PolarHBondContact O-OG1 3.42Å |
| 382 | T | 90.3 | Very high | 88 | Confident | 27 Ų | 27 | 34.2 Ų | 34.2 | 17% | 0.166 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.6 | -42.8 | 176.2 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | A367 S371 V378 L384 T385 I386 | A367-T382 HydrophobicContact CB-CG2 4.17Å; S371-T382 WeakPolarHBondContact CB-OG1 3.4Å; S371-T382 WeakPolarHBondContact OG-CB 3.38Å; V378-T382 PolarHBondContact O-N 3.21Å; V378-T382 PolarHBondContact O-OG1 2.8Å; T382-L384 VanDerWaalsContact C-N 3.31Å; T382-L384 PolarHBondContact O-N 2.95Å; T382-T385 PolarHBondContact O-N 3.38Å; T382-I386 HydrophobicContact CG2-CD1 3.66Å; T382-I386 WeakPolarHBondContact O-CB 3.43Å; T382-I386 WeakPolarHBondContact O-CD1 3.07Å; T382-I386 VanDerWaalsContact O-CG1 3.31Å; T382-I386 WeakPolarHBondContact O-CG1 3.26Å; T382-I386 PolarHBondContact O-N 2.75Å |
| 383 | T | 92.5 | Very high | 87.8 | Confident | 11 Ų | 11 | 33.7 Ų | 33.7 | 7% | 0.067 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59 | -39 | 173.9 | -57.4 | 0 | 0 | 0 | 0 | 112.7 | A184 I188 G379 V381 L387 | A184-T383 HydrophobicContact CB-CG2 3.62Å; A184-T383 VanDerWaalsContact CB-OG1 3.31Å; A184-T383 WeakPolarHBondContact CB-OG1 3.45Å; I188-T383 HydrophobicContact CG2-CG2 4.04Å; G379-T383 VanDerWaalsContact O-CB 3.31Å; G379-T383 WeakPolarHBondContact O-CB 3.41Å; G379-T383 PolarHBondContact O-N 3.37Å; G379-T383 PolarHBondContact O-OG1 3.49Å; V381-T383 VanDerWaalsContact C-N 3.27Å; V381-T383 PolarHBondContact O-N 3.27Å; T383-L387 VanDerWaalsContact O-CB 3.23Å; T383-L387 WeakPolarHBondContact O-CB 3.48Å; T383-L387 PolarHBondContact O-N 3.21Å |
| 384 | L | 89.9 | Confident | 87.8 | Confident | 40 Ų | 40 | 30 Ų | 30 | 21% | 0.209 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.8 | -42.6 | 178.8 | 177.4 | 62.9 | 0 | 0 | 0 | 111.9 | A380 V381 T382 L387 L388 | A380-L384 PolarHBondContact O-N 3.17Å; V381-L384 WeakPolarHBondContact O-CA 3.5Å; V381-L384 WeakPolarHBondContact O-CB 3.45Å; V381-L384 PolarHBondContact O-N 2.92Å; T382-L384 VanDerWaalsContact C-N 3.31Å; T382-L384 PolarHBondContact O-N 2.95Å; L384-L387 PolarHBondContact O-N 3.15Å; L384-L388 HydrophobicContact CD1-CD1 4.16Å; L384-L388 HydrophobicContact CD1-CG 4.36Å; L384-L388 HydrophobicContact CG-CD1 4.08Å; L384-L388 WeakPolarHBondContact O-CD1 3.43Å; L384-L388 VanDerWaalsContact O-CG 3.25Å; L384-L388 WeakPolarHBondContact O-CG 3.4Å; L384-L388 PolarHBondContact O-N 2.97Å; L384-L388 VanDerWaalsContact O-N 3.08Å |
| 385 | T | 88.3 | Confident | 87.7 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.3 | -48.1 | 176 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | V381 T382 L388 H389 I490 E494 | V381-T385 PolarHBondContact O-N 2.89Å; V381-T385 PolarHBondContact O-OG1 3.42Å; T382-T385 PolarHBondContact O-N 3.38Å; T385-L388 WeakPolarHBondContact O-CB 3.27Å; T385-L388 PolarHBondContact O-N 3.45Å; T385-L388 VanDerWaalsContact O-N 3.1Å; T385-H389 PolarHBondContact O-N 3.02Å; T385-H389 VanDerWaalsContact O-N 3.13Å; T385-I490 HydrophobicContact CG2-CG2 3.76Å; T385-E494 HydrophobicContact CG2-CB 4.04Å; T385-E494 HydrophobicContact CG2-CG 4.08Å |
| 386 | I | 91 | Very high | 87.7 | Confident | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.4 | -46.6 | 177.2 | -67.4 | 162.4 | 0 | 0 | 0 | 111.4 | I188 D364 A367 I368 T382 L388 H389 E390 | I188-I386 HydrophobicContact CB-CG2 4.27Å; I188-I386 HydrophobicContact CD1-CG2 3.65Å; I188-I386 HydrophobicContact CG2-CB 4.4Å; I188-I386 HydrophobicContact CG2-CG2 3.98Å; D364-I386 HydrophobicContact CB-CD1 4.08Å; D364-I386 HydrophobicContact CB-CG1 4.4Å; D364-I386 HydrophobicContact CB-CG2 3.86Å; A367-I386 HydrophobicContact CB-CD1 4.28Å; I368-I386 HydrophobicContact CD1-CD1 4.14Å; I368-I386 HydrophobicContact CG1-CD1 3.69Å; T382-I386 HydrophobicContact CG2-CD1 3.66Å; T382-I386 WeakPolarHBondContact O-CB 3.43Å; T382-I386 WeakPolarHBondContact O-CD1 3.07Å; T382-I386 VanDerWaalsContact O-CG1 3.31Å; T382-I386 WeakPolarHBondContact O-CG1 3.26Å; T382-I386 PolarHBondContact O-N 2.75Å; I386-L388 PolarHBondContact O-N 3.09Å; I386-L388 VanDerWaalsContact O-N 3.09Å; I386-H389 WeakPolarHBondContact CA-NE2 3.35Å; I386-H389 PolarHBondContact O-CD2 3.14Å; I386-H389 VanDerWaalsContact O-CD2 3.28Å; I386-H389 PolarHBondContact O-N 2.68Å; I386-H389 VanDerWaalsContact O-N 3.14Å; I386-E390 VanDerWaalsContact O-CB 3.27Å; I386-E390 WeakPolarHBondContact O-CB 3.49Å; I386-E390 PolarHBondContact O-N 3.41Å |
| 387 | L | 89.2 | Confident | 87.6 | Confident | 20 Ų | 20 | 19.7 Ų | 19.7 | 11% | 0.105 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.3 | -29 | 175.5 | 179.1 | 61.4 | 0 | 0 | 0 | 113 | I188 A191 T383 L384 V391 | I188-L387 HydrophobicContact CG2-CB 4.22Å; A191-L387 HydrophobicContact CB-CD1 3.63Å; T383-L387 VanDerWaalsContact O-CB 3.23Å; T383-L387 WeakPolarHBondContact O-CB 3.48Å; T383-L387 PolarHBondContact O-N 3.21Å; L384-L387 PolarHBondContact O-N 3.15Å; L387-V391 WeakPolarHBondContact O-CG2 3.32Å |
| 388 | L | 85.7 | Confident | 87.7 | Confident | 17 Ų | 17 | 16.5 Ų | 16.5 | 9% | 0.089 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -81.9 | -33.3 | 179.1 | -71.6 | 166 | 0 | 0 | 0 | 113.2 | L51 L52 L384 T385 I386 P392 I490 | L51-L388 HydrophobicContact CB-CD2 4.46Å; L52-L388 HydrophobicContact CD2-CD1 3.71Å; L52-L388 HydrophobicContact CD2-CD2 4.47Å; L52-L388 HydrophobicContact CG-CD1 4.42Å; L52-L388 HydrophobicContact CG-CD2 4.32Å; L384-L388 HydrophobicContact CD1-CD1 4.16Å; L384-L388 HydrophobicContact CD1-CG 4.36Å; L384-L388 HydrophobicContact CG-CD1 4.08Å; L384-L388 WeakPolarHBondContact O-CD1 3.43Å; L384-L388 VanDerWaalsContact O-CG 3.25Å; L384-L388 WeakPolarHBondContact O-CG 3.4Å; L384-L388 PolarHBondContact O-N 2.97Å; L384-L388 VanDerWaalsContact O-N 3.08Å; T385-L388 WeakPolarHBondContact O-CB 3.27Å; T385-L388 PolarHBondContact O-N 3.45Å; T385-L388 VanDerWaalsContact O-N 3.1Å; I386-L388 PolarHBondContact O-N 3.09Å; I386-L388 VanDerWaalsContact O-N 3.09Å; L388-P392 WeakPolarHBondContact O-CD 3.47Å; L388-I490 HydrophobicContact CB-CD1 4.22Å; L388-I490 HydrophobicContact CB-CG1 4.4Å |
| 389 | H | 88.1 | Confident | 87.8 | Confident | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.009 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -81.7 | -36.8 | 172.1 | 57.6 | -135.2 | 0 | 0 | 0 | 113 | H230 T385 I386 V391 P392 H393 M487 I490 | H230-H389 AromaticContact NE2-CE1 3.8Å; T385-H389 PolarHBondContact O-N 3.02Å; T385-H389 VanDerWaalsContact O-N 3.13Å; I386-H389 WeakPolarHBondContact CA-NE2 3.35Å; I386-H389 PolarHBondContact O-CD2 3.14Å; I386-H389 VanDerWaalsContact O-CD2 3.28Å; I386-H389 PolarHBondContact O-N 2.68Å; I386-H389 VanDerWaalsContact O-N 3.14Å; H389-V391 PolarHBondContact O-N 3.46Å; H389-P392 VanDerWaalsContact O-CB 3.25Å; H389-P392 WeakPolarHBondContact O-CB 3.26Å; H389-P392 WeakPolarHBondContact O-CD 3.15Å; H389-P392 VanDerWaalsContact O-CG 3.29Å; H389-P392 WeakPolarHBondContact O-CG 3.28Å; H389-H393 PolarHBondContact O-CD2 3.36Å; H389-H393 VanDerWaalsContact O-CD2 3.28Å; H389-H393 PolarHBondContact O-N 2.89Å; H389-M487 HydrophobicContact CB-CE 3.9Å; H389-M487 HydrophobicContact CB-SD 4.02Å; H389-I490 HydrophobicContact CB-CD1 3.94Å; H389-I490 HydrophobicContact CB-CG2 4.46Å |
| 390 | E | 87.2 | Confident | 87.7 | Confident | 2 Ų | 2 | 14.1 Ų | 14.1 | 1% | 0.009 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.5 | -36.1 | -174.7 | 175 | 64.7 | 153.9 | 0 | 0 | 113.1 | P192 N361 I386 H393 E394 | P192-E390 HydrophobicContact CG-CG 3.97Å; N361-E390 PolarHBondContact ND2-OE1 3.49Å; I386-E390 VanDerWaalsContact O-CB 3.27Å; I386-E390 WeakPolarHBondContact O-CB 3.49Å; I386-E390 PolarHBondContact O-N 3.41Å; E390-H393 PolarHBondContact O-N 3Å; E390-E394 HydrophobicContact CG-CG 4.06Å; E390-E394 WeakPolarHBondContact O-CB 3.42Å; E390-E394 PolarHBondContact O-N 3.42Å |
| 391 | V | 82.7 | Confident | 87.6 | Confident | 9 Ų | 9 | 11.5 Ų | 11.5 | 6% | 0.055 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -55.5 | -46 | 175.7 | 166.4 | 0 | 0 | 0 | 0 | 112.5 | P192 I195 L387 H389 I395 | P192-V391 HydrophobicContact CB-CG2 4.45Å; P192-V391 HydrophobicContact CG-CG2 4.1Å; I195-V391 HydrophobicContact CD1-CB 4.32Å; I195-V391 HydrophobicContact CD1-CG1 3.55Å; I195-V391 HydrophobicContact CD1-CG2 3.73Å; L387-V391 WeakPolarHBondContact O-CG2 3.32Å; H389-V391 PolarHBondContact O-N 3.46Å; V391-I395 HydrophobicContact CG1-CD1 4Å; V391-I395 WeakPolarHBondContact O-CB 3.38Å; V391-I395 WeakPolarHBondContact O-CD1 3.28Å; V391-I395 WeakPolarHBondContact O-CG1 3.47Å; V391-I395 PolarHBondContact O-N 2.93Å; V391-I395 VanDerWaalsContact O-N 3.15Å |
| 392 | P | 81.1 | Confident | 87.6 | Confident | 5 Ų | 5 | 8.9 Ų | 8.9 | 3% | 0.032 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -51.4 | -50.3 | 164.5 | -32.5 | 32.5 | 0 | 0 | 0 | 116.8 | F218 L388 H389 I395 G396 M486 M487 | F218-P392 HydrophobicContact CE1-CB 4.3Å; F218-P392 HydrophobicContact CZ-CB 4.07Å; F218-P392 HydrophobicContact CZ-CG 4.28Å; L388-P392 WeakPolarHBondContact O-CD 3.47Å; H389-P392 VanDerWaalsContact O-CB 3.25Å; H389-P392 WeakPolarHBondContact O-CB 3.26Å; H389-P392 WeakPolarHBondContact O-CD 3.15Å; H389-P392 VanDerWaalsContact O-CG 3.29Å; H389-P392 WeakPolarHBondContact O-CG 3.28Å; P392-I395 PolarHBondContact O-N 3.5Å; P392-G396 PolarHBondContact O-N 2.95Å; P392-M486 HydrophobicContact CB-CE 3.46Å; P392-M486 VanDerWaalsContact CB-CE 3.46Å; P392-M486 HydrophobicContact CB-SD 4.42Å; P392-M486 HydrophobicContact CG-CE 3.19Å; P392-M486 HydrophobicContact CG-SD 3.56Å; P392-M486 VanDerWaalsContact CG-SD 3.56Å; P392-M487 HydrophobicContact CB-CE 3.74Å; P392-M487 HydrophobicContact CG-CE 4.09Å |
| 393 | H | 86.6 | Confident | 87.3 | Confident | 3 Ų | 3 | 10.2 Ų | 10.2 | 1% | 0.014 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -64.7 | -51.7 | -177.7 | -76.3 | -100.6 | 0 | 0 | 0 | 110.5 | D226 H360 H389 E390 I395 G396 D397 F451 M487 | D226-H393 WeakPolarHBondContact CB-NE2 3.37Å; D226-H393 IonicContact OD2-CE1 2.69Å; D226-H393 IonicContact OD2-NE2 2.69Å; H360-H393 AromaticContact NE2-CD2 3.99Å; H360-H393 AromaticContact NE2-CE1 3.9Å; H360-H393 AromaticContact NE2-ND1 3.97Å; H389-H393 PolarHBondContact O-CD2 3.36Å; H389-H393 VanDerWaalsContact O-CD2 3.28Å; H389-H393 PolarHBondContact O-N 2.89Å; E390-H393 PolarHBondContact O-N 3Å; H393-I395 VanDerWaalsContact C-N 3.29Å; H393-I395 PolarHBondContact O-N 3.39Å; H393-G396 CarbonylContact O-C 3.56Å; H393-G396 WeakPolarHBondContact O-CA 3.16Å; H393-G396 PolarHBondContact O-N 2.99Å; H393-D397 WeakPolarHBondContact O-CB 3.46Å; H393-D397 PolarHBondContact O-N 2.87Å; H393-F451 AromaticContact CE1-CE2 3.51Å; H393-F451 AromaticContact CE1-CZ 3.96Å; H393-F451 AromaticContact ND1-CE2 3.73Å; H393-F451 AromaticContact ND1-CZ 3.68Å; H393-M487 WeakPolarHBondContact NE2-CE 3.42Å |
| 394 | E | 87.9 | Confident | 87 | Confident | 3 Ų | 3 | 9.8 Ų | 9.8 | 1% | 0.014 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -54.5 | -36.5 | 175.2 | -84.2 | -95.3 | -120.9 | 0 | 0 | 114 | P192 F193 L196 E390 F398 Q415 | P192-E394 HydrophobicContact CB-CB 3.59Å; P192-E394 HydrophobicContact CB-CG 3.52Å; P192-E394 WeakPolarHBondContact CB-OE1 3.23Å; P192-E394 HydrophobicContact CG-CB 4.3Å; P192-E394 HydrophobicContact CG-CG 3.86Å; F193-E394 WeakPolarHBondContact CE2-OE1 3.39Å; F193-E394 VanDerWaalsContact CZ-OE1 3.23Å; F193-E394 WeakPolarHBondContact CZ-OE1 3.48Å; L196-E394 HydrophobicContact CD1-CB 4.37Å; E390-E394 HydrophobicContact CG-CG 4.06Å; E390-E394 WeakPolarHBondContact O-CB 3.42Å; E390-E394 PolarHBondContact O-N 3.42Å; E394-F398 WeakPolarHBondContact O-CB 3.47Å; E394-F398 PolarHBondContact O-N 3.41Å; E394-Q415 PolarHBondContact O-NE2 3.03Å; E394-Q415 VanDerWaalsContact O-NE2 3.13Å; E394-Q415 WeakPolarHBondContact OE2-CB 3.41Å; E394-Q415 PolarHBondContact OE2-NE2 3.24Å |
| 395 | I | 84.8 | Confident | 86.8 | Confident | 5 Ų | 5 | 9.3 Ų | 9.3 | 3% | 0.026 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -66.2 | -38.8 | 173.1 | -75 | 168.9 | 0 | 0 | 0 | 111.7 | T44 I195 L196 I199 L215 F218 V391 P392 H393 A399 | T44-I395 HydrophobicContact CG2-CD1 4.12Å; I195-I395 HydrophobicContact CG2-CD1 4.28Å; L196-I395 HydrophobicContact CD2-CG1 4.07Å; I199-I395 HydrophobicContact CD1-CG1 4.27Å; L215-I395 HydrophobicContact CD2-CG2 3.95Å; F218-I395 HydrophobicContact CD1-CG2 4.06Å; F218-I395 HydrophobicContact CE1-CB 4.38Å; F218-I395 HydrophobicContact CE1-CG2 4.04Å; V391-I395 HydrophobicContact CG1-CD1 4Å; V391-I395 WeakPolarHBondContact O-CB 3.38Å; V391-I395 WeakPolarHBondContact O-CD1 3.28Å; V391-I395 WeakPolarHBondContact O-CG1 3.47Å; V391-I395 PolarHBondContact O-N 2.93Å; V391-I395 VanDerWaalsContact O-N 3.15Å; P392-I395 PolarHBondContact O-N 3.5Å; H393-I395 VanDerWaalsContact C-N 3.29Å; H393-I395 PolarHBondContact O-N 3.39Å; I395-A399 PolarHBondContact O-N 2.95Å |
| 396 | G | 84.9 | Confident | 86.7 | Confident | 1 Ų | 1 | 9.6 Ų | 9.6 | 1% | 0.01 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -73.1 | -46.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P392 H393 F398 A399 I400 | P392-G396 PolarHBondContact O-N 2.95Å; H393-G396 CarbonylContact O-C 3.56Å; H393-G396 WeakPolarHBondContact O-CA 3.16Å; H393-G396 PolarHBondContact O-N 2.99Å; G396-F398 VanDerWaalsContact C-N 3.28Å; G396-F398 PolarHBondContact O-N 3.35Å; G396-A399 CarbonylContact O-C 3.56Å; G396-A399 WeakPolarHBondContact O-CA 3.36Å; G396-A399 WeakPolarHBondContact O-CB 3.41Å; G396-A399 PolarHBondContact O-N 2.89Å; G396-I400 WeakPolarHBondContact O-CG1 3.44Å; G396-I400 PolarHBondContact O-N 3.16Å |
| 397 | D | 88.8 | Confident | 86.6 | Confident | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.011 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.8 | -38.5 | 179.7 | -68.9 | -3.6 | 0 | 0 | 0 | 110.6 | N353 D357 H393 A399 I400 L401 | N353-D397 WeakPolarHBondContact ND2-CB 3.42Å; N353-D397 PolarHBondContact ND2-OD1 3.33Å; N353-D397 PolarHBondContact ND2-OD2 2.78Å; D357-D397 WeakPolarHBondContact CB-OD2 3.36Å; H393-D397 WeakPolarHBondContact O-CB 3.46Å; H393-D397 PolarHBondContact O-N 2.87Å; D397-A399 PolarHBondContact O-N 2.96Å; D397-I400 PolarHBondContact O-N 2.92Å; D397-L401 VanDerWaalsContact O-CB 3.3Å; D397-L401 WeakPolarHBondContact O-CB 3.21Å; D397-L401 VanDerWaalsContact O-CG 3.31Å; D397-L401 WeakPolarHBondContact O-CG 3.49Å; D397-L401 PolarHBondContact O-N 2.78Å |
| 398 | F | 89.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.2 | -45 | 168 | 178.5 | -108 | 0 | 0 | 0 | 113.1 | L196 V201 E394 G396 L401 V402 K408 A411 M412 Q415 | L196-F398 HydrophobicContact CD1-CB 4.35Å; L196-F398 HydrophobicContact CD2-CB 3.7Å; L196-F398 HydrophobicContact CD2-CD1 4.05Å; L196-F398 HydrophobicContact CD2-CG 3.84Å; V201-F398 HydrophobicContact CB-CE1 4.06Å; V201-F398 HydrophobicContact CB-CZ 4.05Å; V201-F398 HydrophobicContact CG1-CE1 4.13Å; V201-F398 HydrophobicContact CG1-CZ 4.03Å; V201-F398 HydrophobicContact CG2-CE1 3.62Å; V201-F398 HydrophobicContact CG2-CZ 4.13Å; E394-F398 WeakPolarHBondContact O-CB 3.47Å; E394-F398 PolarHBondContact O-N 3.41Å; G396-F398 VanDerWaalsContact C-N 3.28Å; G396-F398 PolarHBondContact O-N 3.35Å; F398-L401 PolarHBondContact O-N 3.43Å; F398-V402 HydrophobicContact CD2-CG2 4.35Å; F398-V402 HydrophobicContact CE1-CG2 4.29Å; F398-V402 HydrophobicContact CE2-CG2 3.88Å; F398-V402 HydrophobicContact CZ-CG2 3.83Å; F398-V402 WeakPolarHBondContact O-CB 3.24Å; F398-V402 WeakPolarHBondContact O-CG2 3.09Å; F398-V402 PolarHBondContact O-N 2.93Å; F398-K408 HydrophobicContact CE2-CB 4.26Å; F398-K408 HydrophobicContact CE2-CG 3.81Å; F398-K408 HydrophobicContact CZ-CB 4.13Å; F398-K408 HydrophobicContact CZ-CD 4Å; F398-K408 HydrophobicContact CZ-CG 3.72Å; F398-A411 HydrophobicContact CD2-CB 3.71Å; F398-A411 HydrophobicContact CE2-CB 3.86Å; F398-M412 HydrophobicContact CD2-CG 4.23Å; F398-M412 HydrophobicContact CE2-CG 4.05Å; F398-Q415 VanDerWaalsContact CA-OE1 3.29Å |
| 399 | A | 86.6 | Confident | 86.4 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64 | -42.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | L212 L215 I395 G396 D397 V402 Q403 | L212-A399 HydrophobicContact CD2-CB 4.41Å; L215-A399 HydrophobicContact CB-CB 4.23Å; I395-A399 PolarHBondContact O-N 2.95Å; G396-A399 CarbonylContact O-C 3.56Å; G396-A399 WeakPolarHBondContact O-CA 3.36Å; G396-A399 WeakPolarHBondContact O-CB 3.41Å; G396-A399 PolarHBondContact O-N 2.89Å; D397-A399 PolarHBondContact O-N 2.96Å; A399-V402 PolarHBondContact O-N 3.28Å; A399-Q403 WeakPolarHBondContact O-CB 3.31Å; A399-Q403 PolarHBondContact O-N 3.42Å |
| 400 | I | 87.9 | Confident | 86.5 | Confident | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.1 | -37.4 | 179.3 | -63.8 | 162.7 | 0 | 0 | 0 | 111.2 | L216 L223 N353 G396 D397 Q403 S404 I454 V459 | L216-I400 HydrophobicContact CD1-CD1 4.2Å; L216-I400 HydrophobicContact CD1-CG1 3.47Å; L216-I400 VanDerWaalsContact CD1-CG1 3.47Å; L223-I400 HydrophobicContact CD1-CD1 4.35Å; N353-I400 HydrophobicContact CB-CG2 4.14Å; N353-I400 WeakPolarHBondContact OD1-CB 3.45Å; N353-I400 WeakPolarHBondContact OD1-CD1 3.42Å; N353-I400 VanDerWaalsContact OD1-CG2 3.25Å; N353-I400 WeakPolarHBondContact OD1-CG2 3.31Å; G396-I400 WeakPolarHBondContact O-CG1 3.44Å; G396-I400 PolarHBondContact O-N 3.16Å; D397-I400 PolarHBondContact O-N 2.92Å; I400-Q403 PolarHBondContact O-N 3.13Å; I400-S404 VanDerWaalsContact O-CB 3.22Å; I400-S404 WeakPolarHBondContact O-CB 3.18Å; I400-S404 PolarHBondContact O-N 3.04Å; I400-S404 PolarHBondContact O-OG 3.11Å; I400-I454 HydrophobicContact CD1-CG2 4.08Å; I400-V459 HydrophobicContact CD1-CG2 3.53Å; I400-V459 HydrophobicContact CG1-CG2 4.02Å |
| 401 | L | 88.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.1 | -42 | 175 | -76.9 | 164.2 | 0 | 0 | 0 | 112.3 | L354 D397 F398 S404 G405 C406 A411 L414 Q415 | L354-L401 HydrophobicContact CD1-CD2 3.93Å; L354-L401 HydrophobicContact CD2-CD1 3.95Å; L354-L401 HydrophobicContact CD2-CD2 4.42Å; L354-L401 HydrophobicContact CG-CD1 4.41Å; L354-L401 HydrophobicContact CG-CD2 4.06Å; D397-L401 VanDerWaalsContact O-CB 3.3Å; D397-L401 WeakPolarHBondContact O-CB 3.21Å; D397-L401 VanDerWaalsContact O-CG 3.31Å; D397-L401 WeakPolarHBondContact O-CG 3.49Å; D397-L401 PolarHBondContact O-N 2.78Å; F398-L401 PolarHBondContact O-N 3.43Å; L401-S404 VanDerWaalsContact CA-OG 3.29Å; L401-S404 WeakPolarHBondContact CA-OG 3.4Å; L401-S404 PolarHBondContact O-N 3.13Å; L401-S404 PolarHBondContact O-OG 3.01Å; L401-S404 VanDerWaalsContact O-OG 3.05Å; L401-G405 PolarHBondContact O-N 3.47Å; L401-C406 HydrophobicContact CB-CB 4.47Å; L401-C406 WeakPolarHBondContact O-CB 3.43Å; L401-C406 PolarHBondContact O-N 3.48Å; L401-A411 HydrophobicContact CB-CB 3.66Å; L401-A411 HydrophobicContact CD1-CB 4.45Å; L401-L414 HydrophobicContact CD1-CB 4.44Å; L401-L414 HydrophobicContact CD2-CD1 4.2Å; L401-Q415 HydrophobicContact CD1-CG 3.65Å |
| 402 | V | 87.8 | Confident | 86.7 | Confident | 23 Ų | 23 | 26 Ų | 26 | 14% | 0.139 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.8 | -45.7 | 173.3 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | V201 L212 F398 A399 S404 G405 A411 | V201-V402 HydrophobicContact CG1-CG1 4Å; V201-V402 HydrophobicContact CG1-CG2 4.17Å; L212-V402 HydrophobicContact CD1-CG1 4.3Å; L212-V402 HydrophobicContact CD2-CG1 4.18Å; F398-V402 HydrophobicContact CD2-CG2 4.35Å; F398-V402 HydrophobicContact CE1-CG2 4.29Å; F398-V402 HydrophobicContact CE2-CG2 3.88Å; F398-V402 HydrophobicContact CZ-CG2 3.83Å; F398-V402 WeakPolarHBondContact O-CB 3.24Å; F398-V402 WeakPolarHBondContact O-CG2 3.09Å; F398-V402 PolarHBondContact O-N 2.93Å; A399-V402 PolarHBondContact O-N 3.28Å; V402-S404 VanDerWaalsContact C-N 3.26Å; V402-S404 PolarHBondContact O-N 2.92Å; V402-G405 PolarHBondContact O-N 2.82Å; V402-A411 HydrophobicContact CG2-CB 4.17Å |
| 403 | Q | 83.6 | Confident | 87.1 | Confident | 56 Ų | 56 | 30 Ų | 30 | 26% | 0.262 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -66.7 | -23.7 | 178.6 | -175.4 | 64.2 | 2.3 | 0 | 0 | 113.4 | K347 A399 I400 G405 E462 | K347-Q403 WeakPolarHBondContact CE-O 3.38Å; K347-Q403 PolarHBondContact NZ-O 2.78Å; A399-Q403 WeakPolarHBondContact O-CB 3.31Å; A399-Q403 PolarHBondContact O-N 3.42Å; I400-Q403 PolarHBondContact O-N 3.13Å; Q403-G405 VanDerWaalsContact C-N 3.34Å; Q403-E462 WeakPolarHBondContact CG-OE2 3.48Å; Q403-E462 PolarHBondContact NE2-OE2 3.41Å |
| 404 | S | 85.6 | Confident | 87.2 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 3.7 | 171.7 | 57.7 | 0 | 0 | 0 | 0 | 114.3 | I346 K347 G350 I400 L401 V402 | I346-S404 WeakPolarHBondContact CA-O 3.42Å; I346-S404 WeakPolarHBondContact CG2-OG 3.42Å; K347-S404 PolarHBondContact N-O 3.46Å; G350-S404 WeakPolarHBondContact CA-OG 3.35Å; I400-S404 VanDerWaalsContact O-CB 3.22Å; I400-S404 WeakPolarHBondContact O-CB 3.18Å; I400-S404 PolarHBondContact O-N 3.04Å; I400-S404 PolarHBondContact O-OG 3.11Å; L401-S404 VanDerWaalsContact CA-OG 3.29Å; L401-S404 WeakPolarHBondContact CA-OG 3.4Å; L401-S404 PolarHBondContact O-N 3.13Å; L401-S404 PolarHBondContact O-OG 3.01Å; L401-S404 VanDerWaalsContact O-OG 3.05Å; V402-S404 VanDerWaalsContact C-N 3.26Å; V402-S404 PolarHBondContact O-N 2.92Å |
| 405 | G | 86.3 | Confident | 87.2 | Confident | 30 Ų | 30 | 31.6 Ų | 31.6 | 31% | 0.309 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 107.9 | 6.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | T344 L401 V402 Q403 | T344-G405 WeakPolarHBondContact CB-O 3.24Å; T344-G405 PolarHBondContact OG1-O 2.86Å; L401-G405 PolarHBondContact O-N 3.47Å; V402-G405 PolarHBondContact O-N 2.82Å; Q403-G405 VanDerWaalsContact C-N 3.34Å |
| 406 | C | 87.1 | Confident | 87.2 | Confident | 8 Ų | 8 | 36.1 Ų | 36.1 | 5% | 0.054 | 20% | 0.195 | C | C | . | . | trans | -74.9 | 146.3 | 172.9 | -66.5 | 0 | 0 | 0 | 0 | 111.8 | L401 K410 A411 | L401-C406 HydrophobicContact CB-CB 4.47Å; L401-C406 WeakPolarHBondContact O-CB 3.43Å; L401-C406 PolarHBondContact O-N 3.48Å; C406-K410 HydrophobicContact CB-CB 4.1Å; C406-K410 HydrophobicContact CB-CD 4.12Å; C406-K410 HydrophobicContact CB-CG 4.18Å; C406-A411 HydrophobicContact CB-CB 4.16Å | ||
| 407 | T | 88.3 | Confident | 87.4 | Confident | 89 Ų | 89 | 41.3 Ų | 41.3 | 55% | 0.546 | 22% | 0.222 | S | C | . | . | trans | -73.9 | 155.4 | 163.8 | 66.4 | 0 | 0 | 0 | 0 | 109.1 | K409 K410 A411 | T407-K409 PolarHBondContact O-N 3.36Å; T407-K409 VanDerWaalsContact O-N 3.08Å; T407-K410 WeakPolarHBondContact O-CA 3.35Å; T407-K410 WeakPolarHBondContact O-CB 3.38Å; T407-K410 PolarHBondContact O-N 2.7Å; T407-K410 PolarHBondContact OG1-N 2.89Å; T407-A411 PolarHBondContact O-N 2.88Å | ||
| 408 | K | 85 | Confident | 87.5 | Confident | 28 Ų | 28 | 41.4 Ų | 41.4 | 12% | 0.122 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -45.5 | -45.4 | 177.5 | 172.6 | 164.7 | -166.4 | 178.7 | 0 | 113 | L196 F197 I199 V201 F398 K410 A411 M412 | L196-K408 WeakPolarHBondContact O-CE 3.31Å; L196-K408 PolarHBondContact O-NZ 2.99Å; F197-K408 PolarHBondContact O-NZ 2.81Å; I199-K408 PolarHBondContact O-NZ 3.17Å; V201-K408 HydrophobicContact CB-CD 4.44Å; F398-K408 HydrophobicContact CE2-CB 4.26Å; F398-K408 HydrophobicContact CE2-CG 3.81Å; F398-K408 HydrophobicContact CZ-CB 4.13Å; F398-K408 HydrophobicContact CZ-CD 4Å; F398-K408 HydrophobicContact CZ-CG 3.72Å; K408-K410 PolarHBondContact O-N 2.86Å; K408-A411 PolarHBondContact O-N 3.23Å; K408-M412 HydrophobicContact CD-SD 4.39Å; K408-M412 VanDerWaalsContact CE-SD 3.58Å; K408-M412 HydrophobicContact CG-SD 3.89Å; K408-M412 WeakPolarHBondContact O-CG 3.2Å; K408-M412 PolarHBondContact O-N 3.31Å; K408-M412 VanDerWaalsContact O-N 3.11Å |
| 409 | K | 86.8 | Confident | 87.5 | Confident | 179 Ų | 179 | 41.9 Ų | 41.9 | 78% | 0.778 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -67.4 | -30.4 | 178.2 | -67.2 | -165.4 | 175.1 | -165.1 | 0 | 114 | T407 C413 | T407-K409 PolarHBondContact O-N 3.36Å; T407-K409 VanDerWaalsContact O-N 3.08Å; K409-C413 WeakPolarHBondContact O-CB 3.11Å; K409-C413 PolarHBondContact O-N 3.48Å |
| 410 | K | 88.7 | Confident | 87.7 | Confident | 71 Ų | 71 | 45.6 Ų | 45.6 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -77.1 | -40.5 | 176.2 | -174.7 | -175.9 | 174.5 | -163.2 | 0 | 111 | T344 C406 T407 K408 C413 L414 | T344-K410 PolarHBondContact O-NZ 3.03Å; C406-K410 HydrophobicContact CB-CB 4.1Å; C406-K410 HydrophobicContact CB-CD 4.12Å; C406-K410 HydrophobicContact CB-CG 4.18Å; T407-K410 WeakPolarHBondContact O-CA 3.35Å; T407-K410 WeakPolarHBondContact O-CB 3.38Å; T407-K410 PolarHBondContact O-N 2.7Å; T407-K410 PolarHBondContact OG1-N 2.89Å; K408-K410 PolarHBondContact O-N 2.86Å; K410-C413 PolarHBondContact O-N 2.97Å; K410-L414 HydrophobicContact CG-CD1 3.96Å; K410-L414 VanDerWaalsContact O-CG 3.27Å; K410-L414 WeakPolarHBondContact O-CG 3.47Å; K410-L414 PolarHBondContact O-N 2.86Å |
| 411 | A | 88.4 | Confident | 88 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.2 | -56.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F398 L401 V402 C406 T407 K408 C413 L414 Q415 | F398-A411 HydrophobicContact CD2-CB 3.71Å; F398-A411 HydrophobicContact CE2-CB 3.86Å; L401-A411 HydrophobicContact CB-CB 3.66Å; L401-A411 HydrophobicContact CD1-CB 4.45Å; V402-A411 HydrophobicContact CG2-CB 4.17Å; C406-A411 HydrophobicContact CB-CB 4.16Å; T407-A411 PolarHBondContact O-N 2.88Å; K408-A411 PolarHBondContact O-N 3.23Å; A411-C413 PolarHBondContact O-N 3.28Å; A411-C413 VanDerWaalsContact O-N 3.11Å; A411-L414 PolarHBondContact O-N 2.95Å; A411-Q415 VanDerWaalsContact C-OE1 3.25Å; A411-Q415 PolarHBondContact O-N 3.36Å; A411-Q415 PolarHBondContact O-OE1 2.66Å |
| 412 | M | 86.7 | Confident | 88.2 | Confident | 33 Ų | 33 | 45.2 Ų | 45.2 | 16% | 0.163 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.9 | -31.7 | 176.9 | -63.6 | 174.3 | 76.3 | 0 | 0 | 113.5 | F193 L196 F197 F398 K408 L416 | F193-M412 HydrophobicContact CD1-CB 4.24Å; F193-M412 HydrophobicContact CD1-CE 4.24Å; F193-M412 HydrophobicContact CE1-CB 4.35Å; F193-M412 VanDerWaalsContact CE1-O 3.23Å; F193-M412 WeakPolarHBondContact CE1-O 3.34Å; L196-M412 HydrophobicContact CB-CE 4.17Å; F197-M412 HydrophobicContact CB-CE 4.33Å; F398-M412 HydrophobicContact CD2-CG 4.23Å; F398-M412 HydrophobicContact CE2-CG 4.05Å; K408-M412 HydrophobicContact CD-SD 4.39Å; K408-M412 VanDerWaalsContact CE-SD 3.58Å; K408-M412 HydrophobicContact CG-SD 3.89Å; K408-M412 WeakPolarHBondContact O-CG 3.2Å; K408-M412 PolarHBondContact O-N 3.31Å; K408-M412 VanDerWaalsContact O-N 3.11Å; M412-L416 WeakPolarHBondContact O-CB 3.19Å; M412-L416 PolarHBondContact O-N 2.97Å; M412-L416 VanDerWaalsContact O-N 3.12Å |
| 413 | C | 88.3 | Confident | 88.6 | Confident | 89 Ų | 89 | 46.5 Ų | 46.5 | 60% | 0.601 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -79.3 | -18.2 | 177.3 | -169.6 | 0 | 0 | 0 | 0 | 113.6 | K409 K410 A411 | K409-C413 WeakPolarHBondContact O-CB 3.11Å; K409-C413 PolarHBondContact O-N 3.48Å; K410-C413 PolarHBondContact O-N 2.97Å; A411-C413 PolarHBondContact O-N 3.28Å; A411-C413 VanDerWaalsContact O-N 3.11Å |
| 414 | L | 89.4 | Confident | 89 | Confident | 38 Ų | 38 | 45.6 Ų | 45.6 | 20% | 0.199 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -88.7 | -36.7 | 175.2 | -72.5 | 166.7 | 0 | 0 | 0 | 111.1 | I346 L354 L401 K410 A411 L417 | I346-L414 HydrophobicContact CD1-CD1 3.94Å; L354-L414 HydrophobicContact CD1-CB 3.92Å; L354-L414 HydrophobicContact CD1-CD1 4.19Å; L354-L414 HydrophobicContact CD1-CD2 4.16Å; L354-L414 HydrophobicContact CD1-CG 4.32Å; L354-L414 HydrophobicContact CD2-CB 3.85Å; L354-L414 WeakPolarHBondContact CD2-O 3.15Å; L401-L414 HydrophobicContact CD1-CB 4.44Å; L401-L414 HydrophobicContact CD2-CD1 4.2Å; K410-L414 HydrophobicContact CG-CD1 3.96Å; K410-L414 VanDerWaalsContact O-CG 3.27Å; K410-L414 WeakPolarHBondContact O-CG 3.47Å; K410-L414 PolarHBondContact O-N 2.86Å; A411-L414 PolarHBondContact O-N 2.95Å; L414-L417 WeakPolarHBondContact O-CB 3.46Å; L414-L417 PolarHBondContact O-N 3.1Å; L414-L417 VanDerWaalsContact O-N 3.11Å |
| 415 | Q | 87.7 | Confident | 89.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.5 | -40 | 169.3 | -71.1 | 154.3 | -107.4 | 0 | 0 | 111.1 | F193 L196 E394 F398 L401 A411 L417 T418 | F193-Q415 HydrophobicContact CE1-CB 3.75Å; F193-Q415 HydrophobicContact CZ-CB 3.74Å; L196-Q415 VanDerWaalsContact CD1-NE2 3.31Å; E394-Q415 PolarHBondContact O-NE2 3.03Å; E394-Q415 VanDerWaalsContact O-NE2 3.13Å; E394-Q415 WeakPolarHBondContact OE2-CB 3.41Å; E394-Q415 PolarHBondContact OE2-NE2 3.24Å; F398-Q415 VanDerWaalsContact CA-OE1 3.29Å; L401-Q415 HydrophobicContact CD1-CG 3.65Å; A411-Q415 VanDerWaalsContact C-OE1 3.25Å; A411-Q415 PolarHBondContact O-N 3.36Å; A411-Q415 PolarHBondContact O-OE1 2.66Å; Q415-L417 PolarHBondContact O-N 3.21Å; Q415-T418 PolarHBondContact O-N 2.82Å; Q415-T418 PolarHBondContact O-OG1 3.33Å |
| 416 | L | 85.3 | Confident | 89.7 | Confident | 101 Ų | 101 | 44.1 Ų | 44.1 | 53% | 0.529 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.6 | -6.4 | 173.3 | -170.4 | 58.7 | 0 | 0 | 0 | 113.7 | F193 M412 | F193-L416 HydrophobicContact CD2-CD1 4.12Å; F193-L416 HydrophobicContact CE1-CB 4.29Å; F193-L416 HydrophobicContact CE2-CB 4.05Å; F193-L416 HydrophobicContact CE2-CD1 3.66Å; F193-L416 HydrophobicContact CE2-CG 4.43Å; F193-L416 HydrophobicContact CZ-CB 3.8Å; F193-L416 HydrophobicContact CZ-CD1 4.3Å; F193-L416 VanDerWaalsContact CZ-N 3.27Å; M412-L416 WeakPolarHBondContact O-CB 3.19Å; M412-L416 PolarHBondContact O-N 2.97Å; M412-L416 VanDerWaalsContact O-N 3.12Å |
| 417 | L | 88.9 | Confident | 90 | Very high | 109 Ų | 109 | 46 Ų | 46 | 57% | 0.571 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -88.2 | -24.8 | 170.5 | -170.1 | 63.1 | 0 | 0 | 0 | 112.7 | L414 Q415 V420 | L414-L417 WeakPolarHBondContact O-CB 3.46Å; L414-L417 PolarHBondContact O-N 3.1Å; L414-L417 VanDerWaalsContact O-N 3.11Å; Q415-L417 PolarHBondContact O-N 3.21Å; L417-V420 HydrophobicContact CD1-CG2 4.31Å; L417-V420 VanDerWaalsContact O-CB 3.29Å; L417-V420 WeakPolarHBondContact O-CB 3.35Å; L417-V420 WeakPolarHBondContact O-CG2 3.47Å; L417-V420 PolarHBondContact O-N 3.4Å |
| 418 | T | 89.9 | Confident | 90.2 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -79.6 | -21.9 | 179.4 | 59.8 | 0 | 0 | 0 | 0 | 112.9 | L354 D357 F358 Q415 V420 G421 | L354-T418 HydrophobicContact CB-CG2 4.5Å; L354-T418 HydrophobicContact CD2-CG2 3.9Å; D357-T418 HydrophobicContact CB-CG2 4.13Å; D357-T418 VanDerWaalsContact CG-CB 3.5Å; D357-T418 VanDerWaalsContact CG-CG2 3.44Å; D357-T418 WeakPolarHBondContact OD1-CB 3.47Å; D357-T418 PolarHBondContact OD1-OG1 3.12Å; D357-T418 VanDerWaalsContact OD2-CG2 3.23Å; D357-T418 WeakPolarHBondContact OD2-CG2 3.46Å; D357-T418 PolarHBondContact OD2-OG1 3.42Å; D357-T418 VanDerWaalsContact OD2-OG1 3.13Å; F358-T418 HydrophobicContact CB-CG2 3.95Å; Q415-T418 PolarHBondContact O-N 2.82Å; Q415-T418 PolarHBondContact O-OG1 3.33Å; T418-V420 PolarHBondContact O-N 2.68Å; T418-G421 WeakPolarHBondContact O-CA 3.17Å; T418-G421 PolarHBondContact O-N 2.92Å |
| 419 | A | 89.6 | Confident | 90.4 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -51.1 | -23.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S189 G421 A422 L423 | S189-A419 WeakPolarHBondContact OG-CB 3.04Å; A419-G421 VanDerWaalsContact C-N 3.27Å; A419-A422 PolarHBondContact O-N 2.95Å; A419-L423 PolarHBondContact O-N 3.32Å; A419-L423 VanDerWaalsContact O-N 3.1Å |
| 420 | V | 92.3 | Very high | 90.5 | Very high | 78 Ų | 78 | 35.4 Ų | 35.4 | 47% | 0.473 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.9 | -30 | 171.9 | -179 | 0 | 0 | 0 | 0 | 111.2 | L417 T418 A424 | L417-V420 HydrophobicContact CD1-CG2 4.31Å; L417-V420 VanDerWaalsContact O-CB 3.29Å; L417-V420 WeakPolarHBondContact O-CB 3.35Å; L417-V420 WeakPolarHBondContact O-CG2 3.47Å; L417-V420 PolarHBondContact O-N 3.4Å; T418-V420 PolarHBondContact O-N 2.68Å; V420-A424 VanDerWaalsContact O-CB 3.26Å; V420-A424 WeakPolarHBondContact O-CB 3.5Å; V420-A424 PolarHBondContact O-N 3.38Å |
| 421 | G | 92.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.9 | -52.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111 | F358 F362 T418 A419 L423 A424 G425 | F358-G421 VanDerWaalsContact CE2-CA 3.45Å; F362-G421 WeakPolarHBondContact CA-O 3.23Å; F362-G421 WeakPolarHBondContact CD2-O 3.14Å; T418-G421 WeakPolarHBondContact O-CA 3.17Å; T418-G421 PolarHBondContact O-N 2.92Å; A419-G421 VanDerWaalsContact C-N 3.27Å; G421-L423 PolarHBondContact O-N 3.47Å; G421-A424 CarbonylContact O-C 3.57Å; G421-A424 WeakPolarHBondContact O-CB 3.45Å; G421-A424 PolarHBondContact O-N 3.45Å; G421-A424 VanDerWaalsContact O-N 3.12Å; G421-G425 PolarHBondContact O-N 2.86Å |
| 422 | A | 94.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.5 | -47.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | T185 I188 N361 G365 A419 A424 G425 T426 | T185-A422 VanDerWaalsContact CG2-C 3.46Å; T185-A422 HydrophobicContact CG2-CB 3.59Å; I188-A422 HydrophobicContact CD1-CB 4.46Å; N361-A422 HydrophobicContact CB-CB 4.1Å; N361-A422 WeakPolarHBondContact O-CA 3.16Å; N361-A422 VanDerWaalsContact O-CB 3.26Å; N361-A422 WeakPolarHBondContact O-CB 3.45Å; N361-A422 PolarHBondContact O-N 2.91Å; N361-A422 WeakPolarHBondContact OD1-CB 3.32Å; G365-A422 WeakPolarHBondContact CA-O 3.41Å; A419-A422 PolarHBondContact O-N 2.95Å; A422-A424 VanDerWaalsContact C-N 3.28Å; A422-A424 PolarHBondContact O-N 3.48Å; A422-G425 PolarHBondContact O-N 3.41Å; A422-G425 VanDerWaalsContact O-N 3.16Å; A422-T426 PolarHBondContact O-N 2.92Å; A422-T426 PolarHBondContact O-OG1 2.71Å; A422-T426 VanDerWaalsContact O-OG1 3.12Å |
| 423 | L | 95.3 | Very high | 89.2 | Confident | 51 Ų | 51 | 47 Ų | 47 | 27% | 0.267 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.8 | -36.7 | 175.4 | -70.6 | 170.3 | 0 | 0 | 0 | 112.6 | I182 T185 L186 A419 G421 T427 | I182-L423 HydrophobicContact CD1-CD2 4.33Å; I182-L423 HydrophobicContact CG2-CD2 4.17Å; T185-L423 HydrophobicContact CG2-CD2 3.89Å; T185-L423 HydrophobicContact CG2-CG 4.2Å; L186-L423 HydrophobicContact CD2-CD1 4.1Å; L186-L423 HydrophobicContact CD2-CD2 4.06Å; L186-L423 HydrophobicContact CG-CD2 4.18Å; A419-L423 PolarHBondContact O-N 3.32Å; A419-L423 VanDerWaalsContact O-N 3.1Å; G421-L423 PolarHBondContact O-N 3.47Å; L423-T427 VanDerWaalsContact O-CB 3.27Å; L423-T427 WeakPolarHBondContact O-CB 3.27Å; L423-T427 PolarHBondContact O-N 2.93Å; L423-T427 PolarHBondContact O-OG1 3.15Å |
| 424 | A | 93.5 | Very high | 88 | Confident | 37 Ų | 37 | 45.3 Ų | 45.3 | 31% | 0.306 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.4 | -42.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | F362 V420 G421 A422 T427 C428 | F362-A424 HydrophobicContact CD2-CB 4.14Å; F362-A424 HydrophobicContact CE2-CB 4.24Å; V420-A424 VanDerWaalsContact O-CB 3.26Å; V420-A424 WeakPolarHBondContact O-CB 3.5Å; V420-A424 PolarHBondContact O-N 3.38Å; G421-A424 CarbonylContact O-C 3.57Å; G421-A424 WeakPolarHBondContact O-CB 3.45Å; G421-A424 PolarHBondContact O-N 3.45Å; G421-A424 VanDerWaalsContact O-N 3.12Å; A422-A424 VanDerWaalsContact C-N 3.28Å; A422-A424 PolarHBondContact O-N 3.48Å; A424-T427 PolarHBondContact O-N 2.87Å; A424-C428 WeakPolarHBondContact O-CB 3.46Å; A424-C428 PolarHBondContact O-N 3.02Å; A424-C428 PolarHBondContact O-SG 2.95Å |
| 425 | G | 92.6 | Very high | 87 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.7 | -50.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | F362 G365 L366 G421 A422 T427 C428 S429 | F362-G425 WeakPolarHBondContact O-CA 3.43Å; G365-G425 VanDerWaalsContact C-C 3.45Å; L366-G425 WeakPolarHBondContact CD2-O 3.49Å; G421-G425 PolarHBondContact O-N 2.86Å; A422-G425 PolarHBondContact O-N 3.41Å; A422-G425 VanDerWaalsContact O-N 3.16Å; G425-T427 VanDerWaalsContact C-N 3.34Å; G425-T427 PolarHBondContact O-N 3.19Å; G425-C428 PolarHBondContact O-N 2.79Å; G425-S429 PolarHBondContact O-N 3.26Å |
| 426 | T | 94.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 176.3 | -52.2 | 0 | 0 | 0 | 0 | 111 | A181 I182 T185 G365 I368 A422 C428 S429 L430 | A181-T426 HydrophobicContact CB-CG2 3.97Å; I182-T426 HydrophobicContact CD1-CG2 4.02Å; T185-T426 WeakPolarHBondContact CG2-OG1 3.44Å; T185-T426 WeakPolarHBondContact OG1-CG2 3.37Å; T185-T426 PolarHBondContact OG1-OG1 2.95Å; G365-T426 VanDerWaalsContact CA-OG1 3.26Å; G365-T426 WeakPolarHBondContact CA-OG1 3.47Å; G365-T426 WeakPolarHBondContact O-CA 3.08Å; G365-T426 WeakPolarHBondContact O-CB 3.49Å; G365-T426 PolarHBondContact O-N 2.85Å; G365-T426 VanDerWaalsContact O-N 3.16Å; G365-T426 PolarHBondContact O-OG1 3.44Å; I368-T426 HydrophobicContact CG2-CG2 4.41Å; A422-T426 PolarHBondContact O-N 2.92Å; A422-T426 PolarHBondContact O-OG1 2.71Å; A422-T426 VanDerWaalsContact O-OG1 3.12Å; T426-C428 VanDerWaalsContact C-N 3.34Å; T426-C428 PolarHBondContact O-N 2.94Å; T426-S429 PolarHBondContact O-N 3.12Å; T426-L430 HydrophobicContact CG2-CD1 3.98Å; T426-L430 HydrophobicContact CG2-CG 4.29Å; T426-L430 WeakPolarHBondContact O-CB 3.24Å; T426-L430 VanDerWaalsContact O-CG 3.27Å; T426-L430 WeakPolarHBondContact O-CG 3.28Å; T426-L430 PolarHBondContact O-N 3.15Å |
| 427 | T | 93.4 | Very high | 85.5 | Confident | 47 Ų | 47 | 45.6 Ų | 45.6 | 29% | 0.288 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.6 | -39 | 177.6 | -56.6 | 0 | 0 | 0 | 0 | 112.3 | W178 L423 A424 G425 L431 | W178-T427 HydrophobicContact CH2-CG2 4.28Å; W178-T427 HydrophobicContact CZ3-CG2 4.46Å; L423-T427 VanDerWaalsContact O-CB 3.27Å; L423-T427 WeakPolarHBondContact O-CB 3.27Å; L423-T427 PolarHBondContact O-N 2.93Å; L423-T427 PolarHBondContact O-OG1 3.15Å; A424-T427 PolarHBondContact O-N 2.87Å; G425-T427 VanDerWaalsContact C-N 3.34Å; G425-T427 PolarHBondContact O-N 3.19Å; T427-L431 HydrophobicContact CG2-CD1 3.69Å; T427-L431 HydrophobicContact CG2-CG 4.33Å; T427-L431 VanDerWaalsContact O-CB 3.31Å; T427-L431 WeakPolarHBondContact O-CB 3.45Å; T427-L431 VanDerWaalsContact O-CG 3.23Å; T427-L431 WeakPolarHBondContact O-CG 3.43Å; T427-L431 PolarHBondContact O-N 2.9Å; T427-L431 VanDerWaalsContact O-N 3.1Å |
| 428 | C | 91 | Very high | 84.8 | Confident | 52 Ų | 52 | 45.2 Ų | 45.2 | 35% | 0.351 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 175.5 | -77.6 | 0 | 0 | 0 | 0 | 112 | L366 A424 G425 T426 L431 A432 | L366-C428 HydrophobicContact CD2-CB 4.11Å; A424-C428 WeakPolarHBondContact O-CB 3.46Å; A424-C428 PolarHBondContact O-N 3.02Å; A424-C428 PolarHBondContact O-SG 2.95Å; G425-C428 PolarHBondContact O-N 2.79Å; T426-C428 VanDerWaalsContact C-N 3.34Å; T426-C428 PolarHBondContact O-N 2.94Å; C428-L431 PolarHBondContact O-N 3.38Å; C428-A432 PolarHBondContact O-N 3.11Å; C428-A432 VanDerWaalsContact O-N 3.1Å |
| 429 | S | 89.6 | Confident | 83.9 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 178.5 | -150 | 0 | 0 | 0 | 0 | 111.6 | L366 A370 G425 T426 L431 | L366-S429 WeakPolarHBondContact O-CB 3.32Å; L366-S429 PolarHBondContact O-OG 3.49Å; A370-S429 PolarHBondContact N-OG 3.15Å; G425-S429 PolarHBondContact O-N 3.26Å; T426-S429 PolarHBondContact O-N 3.12Å; S429-L431 VanDerWaalsContact C-N 3.34Å; S429-L431 PolarHBondContact O-N 3.03Å |
| 430 | L | 89.8 | Confident | 83.4 | Confident | 18 Ų | 18 | 46.1 Ų | 46.1 | 9% | 0.094 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.5 | -19.8 | 179.3 | -65.4 | -178.1 | 0 | 0 | 0 | 115 | L177 W178 A181 L373 T426 | L177-L430 HydrophobicContact CD2-CD2 3.43Å; L177-L430 VanDerWaalsContact CD2-CD2 3.43Å; W178-L430 HydrophobicContact CD2-CB 4.45Å; W178-L430 HydrophobicContact CD2-CD1 3.75Å; W178-L430 HydrophobicContact CE3-CD1 4.02Å; W178-L430 HydrophobicContact CG-CD1 4.07Å; W178-L430 HydrophobicContact CH2-CB 4.1Å; W178-L430 HydrophobicContact CZ2-CB 3.56Å; W178-L430 HydrophobicContact CZ2-CD1 4.33Å; W178-L430 HydrophobicContact CZ3-CD1 4.41Å; A181-L430 HydrophobicContact CB-CD1 3.9Å; A181-L430 HydrophobicContact CB-CD2 4.44Å; L373-L430 HydrophobicContact CD1-CD2 4.34Å; L373-L430 HydrophobicContact CD2-CD2 4.19Å; L373-L430 HydrophobicContact CG-CD2 3.96Å; T426-L430 HydrophobicContact CG2-CD1 3.98Å; T426-L430 HydrophobicContact CG2-CG 4.29Å; T426-L430 WeakPolarHBondContact O-CB 3.24Å; T426-L430 VanDerWaalsContact O-CG 3.27Å; T426-L430 WeakPolarHBondContact O-CG 3.28Å; T426-L430 PolarHBondContact O-N 3.15Å |
| 431 | L | 89 | Confident | 82.9 | Confident | 125 Ų | 125 | 44.3 Ų | 44.3 | 65% | 0.654 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -98 | -18.5 | 178.7 | -73.1 | 175.7 | 0 | 0 | 0 | 114 | W178 T427 C428 S429 | W178-L431 HydrophobicContact CH2-CD1 4.44Å; W178-L431 HydrophobicContact CH2-CD2 3.77Å; W178-L431 HydrophobicContact CH2-CG 3.8Å; W178-L431 HydrophobicContact CZ2-CD2 3.72Å; W178-L431 HydrophobicContact CZ2-CG 3.99Å; T427-L431 HydrophobicContact CG2-CD1 3.69Å; T427-L431 HydrophobicContact CG2-CG 4.33Å; T427-L431 VanDerWaalsContact O-CB 3.31Å; T427-L431 WeakPolarHBondContact O-CB 3.45Å; T427-L431 VanDerWaalsContact O-CG 3.23Å; T427-L431 WeakPolarHBondContact O-CG 3.43Å; T427-L431 PolarHBondContact O-N 2.9Å; T427-L431 VanDerWaalsContact O-N 3.1Å; C428-L431 PolarHBondContact O-N 3.38Å; S429-L431 VanDerWaalsContact C-N 3.34Å; S429-L431 PolarHBondContact O-N 3.03Å |
| 432 | A | 79.5 | Confident | 82.6 | Confident | 36 Ų | 36 | 49.7 Ų | 49.7 | 30% | 0.298 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -142.6 | 85.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | C428 G434 V435 | C428-A432 PolarHBondContact O-N 3.11Å; C428-A432 VanDerWaalsContact O-N 3.1Å; A432-G434 PolarHBondContact O-N 3.49Å; A432-V435 HydrophobicContact CB-CB 3.83Å; A432-V435 HydrophobicContact CB-CG2 3.4Å; A432-V435 VanDerWaalsContact O-CB 3.28Å; A432-V435 WeakPolarHBondContact O-CB 3.35Å; A432-V435 PolarHBondContact O-N 2.98Å |
| 433 | E | 66.9 | Low | 82.2 | Confident | 187 Ų | 187 | 50.2 Ų | 50.2 | 87% | 0.874 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.5 | 128.5 | 171.1 | -160.6 | 162 | -134.2 | 0 | 0 | 110.6 | V435 | E433-V435 VanDerWaalsContact C-N 3.32Å; E433-V435 PolarHBondContact O-N 3.19Å |
| 434 | G | 63.7 | Low | 81.9 | Confident | 52 Ų | 52 | 48.3 Ų | 48.3 | 54% | 0.536 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -12.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | A432 G436 T438 | A432-G434 PolarHBondContact O-N 3.49Å; G434-G436 VanDerWaalsContact C-N 3.3Å; G434-G436 PolarHBondContact O-N 3.21Å; G434-T438 PolarHBondContact O-N 2.85Å; G434-T438 PolarHBondContact O-OG1 3.5Å |
| 435 | V | 68.1 | Low | 81.8 | Confident | 62 Ų | 62 | 46.5 Ų | 46.5 | 38% | 0.376 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.9 | -31.2 | 174 | 168.8 | 0 | 0 | 0 | 0 | 111.7 | A432 E433 T438 A439 | A432-V435 HydrophobicContact CB-CB 3.83Å; A432-V435 HydrophobicContact CB-CG2 3.4Å; A432-V435 VanDerWaalsContact O-CB 3.28Å; A432-V435 WeakPolarHBondContact O-CB 3.35Å; A432-V435 PolarHBondContact O-N 2.98Å; E433-V435 VanDerWaalsContact C-N 3.32Å; E433-V435 PolarHBondContact O-N 3.19Å; V435-T438 PolarHBondContact O-N 2.98Å; V435-A439 WeakPolarHBondContact O-CB 3.28Å; V435-A439 PolarHBondContact O-N 3.15Å |
| 436 | G | 68.6 | Low | 81.8 | Confident | 11 Ų | 11 | 49 Ų | 49 | 11% | 0.113 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -48.7 | -63.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G434 T438 A439 T440 | G434-G436 VanDerWaalsContact C-N 3.3Å; G434-G436 PolarHBondContact O-N 3.21Å; G436-T438 VanDerWaalsContact C-N 3.33Å; G436-T438 PolarHBondContact O-N 3.41Å; G436-A439 PolarHBondContact O-N 2.92Å; G436-T440 WeakPolarHBondContact O-CG2 3.23Å; G436-T440 PolarHBondContact O-N 3.21Å; G436-T440 PolarHBondContact O-OG1 2.87Å; G436-T440 VanDerWaalsContact O-OG1 3.11Å |
| 437 | A | 72.3 | Confident | 81.6 | Confident | 73 Ų | 73 | 49 Ų | 49 | 60% | 0.603 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.5 | -38.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A439 T440 A441 | A437-A439 VanDerWaalsContact C-N 3.29Å; A437-A439 PolarHBondContact O-N 3.43Å; A437-T440 WeakPolarHBondContact CA-OG1 3.31Å; A437-T440 PolarHBondContact O-OG1 3.44Å; A437-A441 WeakPolarHBondContact O-CB 3.46Å; A437-A441 PolarHBondContact O-N 2.93Å |
| 438 | T | 74.1 | Confident | 81.6 | Confident | 100 Ų | 100 | 46.8 Ų | 46.8 | 61% | 0.613 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -68.1 | -30.3 | 179.2 | -52.6 | 0 | 0 | 0 | 0 | 112.3 | G434 V435 G436 W442 | G434-T438 PolarHBondContact O-N 2.85Å; G434-T438 PolarHBondContact O-OG1 3.5Å; V435-T438 PolarHBondContact O-N 2.98Å; G436-T438 VanDerWaalsContact C-N 3.33Å; G436-T438 PolarHBondContact O-N 3.41Å; T438-W442 PolarHBondContact O-NE1 3.05Å |
| 439 | A | 72.3 | Confident | 81.8 | Confident | 10 Ų | 10 | 44.3 Ų | 44.3 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -83.7 | -46.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L366 V435 G436 A437 A441 W442 I443 | L366-A439 HydrophobicContact CD1-CB 3.66Å; V435-A439 WeakPolarHBondContact O-CB 3.28Å; V435-A439 PolarHBondContact O-N 3.15Å; G436-A439 PolarHBondContact O-N 2.92Å; A437-A439 VanDerWaalsContact C-N 3.29Å; A437-A439 PolarHBondContact O-N 3.43Å; A439-A441 VanDerWaalsContact C-N 3.3Å; A439-A441 PolarHBondContact O-N 3.43Å; A439-W442 PolarHBondContact O-N 3.42Å; A439-I443 HydrophobicContact CB-CD1 3.93Å; A439-I443 WeakPolarHBondContact O-CB 3.3Å; A439-I443 WeakPolarHBondContact O-CG1 3.35Å; A439-I443 PolarHBondContact O-N 3.48Å |
| 440 | T | 78.1 | Confident | 81.8 | Confident | 25 Ų | 25 | 44.1 Ų | 44.1 | 15% | 0.153 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60 | -38.5 | -179.1 | 51.4 | 0 | 0 | 0 | 0 | 112.4 | G436 A437 W442 I443 L444 | G436-T440 WeakPolarHBondContact O-CG2 3.23Å; G436-T440 PolarHBondContact O-N 3.21Å; G436-T440 PolarHBondContact O-OG1 2.87Å; G436-T440 VanDerWaalsContact O-OG1 3.11Å; A437-T440 WeakPolarHBondContact CA-OG1 3.31Å; A437-T440 PolarHBondContact O-OG1 3.44Å; T440-W442 PolarHBondContact O-N 3.14Å; T440-I443 PolarHBondContact O-N 3.04Å; T440-L444 HydrophobicContact CG2-CD1 4.1Å; T440-L444 HydrophobicContact CG2-CG 4.25Å; T440-L444 WeakPolarHBondContact O-CB 3.42Å; T440-L444 PolarHBondContact O-N 3.28Å |
| 441 | A | 83.1 | Confident | 82 | Confident | 40 Ų | 40 | 43.2 Ų | 43.2 | 33% | 0.331 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55.3 | -20.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.8 | A437 A439 | A437-A441 WeakPolarHBondContact O-CB 3.46Å; A437-A441 PolarHBondContact O-N 2.93Å; A439-A441 VanDerWaalsContact C-N 3.3Å; A439-A441 PolarHBondContact O-N 3.43Å |
| 442 | W | 85.3 | Confident | 82.3 | Confident | 112 Ų | 112 | 38 Ų | 38 | 42% | 0.424 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -124.4 | -29.5 | 172.4 | 64.6 | -85.4 | 0 | 0 | 0 | 113.8 | W276 T438 A439 T440 P445 F446 | W276-W442 HydrophobicContact CD2-CB 3.72Å; W276-W442 VanDerWaalsContact CE2-CB 3.48Å; W276-W442 HydrophobicContact CE3-CB 4.25Å; W276-W442 HydrophobicContact CG-CB 4.05Å; W276-W442 HydrophobicContact CH2-CB 4.37Å; W276-W442 HydrophobicContact CH2-CE3 4.43Å; W276-W442 HydrophobicContact CZ2-CB 3.85Å; W276-W442 HydrophobicContact CZ2-CG 4.44Å; W276-W442 HydrophobicContact CZ3-CE3 4.21Å; T438-W442 PolarHBondContact O-NE1 3.05Å; A439-W442 PolarHBondContact O-N 3.42Å; T440-W442 PolarHBondContact O-N 3.14Å; W442-P445 WeakPolarHBondContact O-CD 3.17Å; W442-F446 WeakPolarHBondContact O-CB 3.38Å; W442-F446 PolarHBondContact O-N 2.99Å; W442-F446 VanDerWaalsContact O-N 3.14Å |
| 443 | I | 86.8 | Confident | 83 | Confident | 11 Ų | 11 | 36.6 Ų | 36.6 | 6% | 0.056 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.7 | -41.8 | -179.6 | -59 | 175.2 | 0 | 0 | 0 | 111.7 | T359 F362 T363 A439 T440 F446 T447 | T359-I443 HydrophobicContact CG2-CG2 3.47Å; T359-I443 VanDerWaalsContact CG2-CG2 3.47Å; F362-I443 HydrophobicContact CD1-CD1 4.11Å; F362-I443 HydrophobicContact CE1-CD1 3.66Å; T363-I443 HydrophobicContact CG2-CB 3.92Å; T363-I443 HydrophobicContact CG2-CG2 3.47Å; T363-I443 VanDerWaalsContact CG2-CG2 3.47Å; A439-I443 HydrophobicContact CB-CD1 3.93Å; A439-I443 WeakPolarHBondContact O-CB 3.3Å; A439-I443 WeakPolarHBondContact O-CG1 3.35Å; A439-I443 PolarHBondContact O-N 3.48Å; T440-I443 PolarHBondContact O-N 3.04Å; I443-F446 PolarHBondContact O-N 3.1Å; I443-T447 VanDerWaalsContact O-CB 3.28Å; I443-T447 WeakPolarHBondContact O-CB 3.47Å; I443-T447 PolarHBondContact O-N 2.98Å; I443-T447 PolarHBondContact O-OG1 3.09Å |
| 444 | L | 88.3 | Confident | 84.1 | Confident | 11 Ų | 11 | 27.7 Ų | 27.7 | 6% | 0.058 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.8 | -54.6 | 177 | -67.3 | 174.6 | 0 | 0 | 0 | 111.9 | L231 A235 T363 T440 F446 T447 A448 | L231-L444 HydrophobicContact CD2-CD2 3.71Å; A235-L444 HydrophobicContact CB-CB 4.28Å; T363-L444 HydrophobicContact CG2-CD2 3.77Å; T363-L444 HydrophobicContact CG2-CG 4.22Å; T440-L444 HydrophobicContact CG2-CD1 4.1Å; T440-L444 HydrophobicContact CG2-CG 4.25Å; T440-L444 WeakPolarHBondContact O-CB 3.42Å; T440-L444 PolarHBondContact O-N 3.28Å; L444-F446 PolarHBondContact O-N 3.44Å; L444-T447 PolarHBondContact O-N 3.22Å; L444-A448 PolarHBondContact O-N 3.4Å |
| 445 | P | 92.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.5 | -36.1 | 179.5 | 22.6 | -30.4 | 0 | 0 | 0 | 113 | A235 V273 W276 V277 W442 T447 A448 G449 | A235-P445 HydrophobicContact CB-CB 4.23Å; A235-P445 HydrophobicContact CB-CG 4.11Å; V273-P445 HydrophobicContact CG1-CB 3.92Å; V273-P445 HydrophobicContact CG1-CG 4.41Å; W276-P445 HydrophobicContact CB-CB 3.79Å; W276-P445 HydrophobicContact CB-CG 3.62Å; W276-P445 HydrophobicContact CG-CG 4.31Å; V277-P445 VanDerWaalsContact CA-O 3.26Å; V277-P445 WeakPolarHBondContact CA-O 3.39Å; V277-P445 HydrophobicContact CG2-CB 3.71Å; V277-P445 WeakPolarHBondContact CG2-O 3.34Å; W442-P445 WeakPolarHBondContact O-CD 3.17Å; P445-T447 VanDerWaalsContact C-N 3.31Å; P445-T447 PolarHBondContact O-N 3.32Å; P445-A448 PolarHBondContact O-N 3.2Å; P445-G449 PolarHBondContact O-N 2.86Å |
| 446 | F | 91.7 | Very high | 86.7 | Confident | 51 Ų | 51 | 25.3 Ų | 25.3 | 22% | 0.224 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60 | -42 | 173.4 | 179 | -91 | 0 | 0 | 0 | 112.1 | W276 G280 A283 F284 W442 I443 L444 G449 G450 | W276-F446 WeakPolarHBondContact O-CA 3.24Å; G280-F446 WeakPolarHBondContact CA-O 3.3Å; A283-F446 HydrophobicContact CB-CE2 3.75Å; A283-F446 HydrophobicContact CB-CZ 3.82Å; F284-F446 HydrophobicContact CE2-CE1 4.3Å; W442-F446 WeakPolarHBondContact O-CB 3.38Å; W442-F446 PolarHBondContact O-N 2.99Å; W442-F446 VanDerWaalsContact O-N 3.14Å; I443-F446 PolarHBondContact O-N 3.1Å; L444-F446 PolarHBondContact O-N 3.44Å; F446-G449 PolarHBondContact O-N 3.47Å; F446-G450 PolarHBondContact O-N 3.31Å |
| 447 | T | 89.8 | Confident | 87.7 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.7 | -42.9 | 179 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | L231 T359 H360 I443 L444 P445 G449 G450 F451 | L231-T447 HydrophobicContact CD1-CG2 4.38Å; T359-T447 VanDerWaalsContact CG2-OG1 3.24Å; T359-T447 WeakPolarHBondContact CG2-OG1 3.22Å; H360-T447 HydrophobicContact CB-CG2 3.89Å; I443-T447 VanDerWaalsContact O-CB 3.28Å; I443-T447 WeakPolarHBondContact O-CB 3.47Å; I443-T447 PolarHBondContact O-N 2.98Å; I443-T447 PolarHBondContact O-OG1 3.09Å; L444-T447 PolarHBondContact O-N 3.22Å; P445-T447 VanDerWaalsContact C-N 3.31Å; P445-T447 PolarHBondContact O-N 3.32Å; T447-G449 VanDerWaalsContact C-N 3.25Å; T447-G449 PolarHBondContact O-N 2.92Å; T447-G450 CarbonylContact O-C 3.58Å; T447-G450 WeakPolarHBondContact O-CA 3.27Å; T447-G450 PolarHBondContact O-N 3.43Å; T447-F451 HydrophobicContact CG2-CE2 4.3Å; T447-F451 HydrophobicContact CG2-CZ 4.36Å; T447-F451 PolarHBondContact O-N 2.85Å |
| 448 | A | 93.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56 | -40.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A227 L231 I232 L444 P445 G450 F451 V452 | A227-A448 HydrophobicContact CB-CB 4.05Å; L231-A448 HydrophobicContact CB-CB 3.8Å; L231-A448 HydrophobicContact CD1-CB 3.92Å; I232-A448 HydrophobicContact CD1-CB 4.17Å; I232-A448 HydrophobicContact CG1-CB 3.79Å; L444-A448 PolarHBondContact O-N 3.4Å; P445-A448 PolarHBondContact O-N 3.2Å; A448-G450 VanDerWaalsContact C-N 3.35Å; A448-G450 PolarHBondContact O-N 3.39Å; A448-F451 PolarHBondContact O-N 3.09Å; A448-V452 WeakPolarHBondContact O-CB 3.43Å; A448-V452 VanDerWaalsContact O-CG2 3.31Å; A448-V452 WeakPolarHBondContact O-CG2 3.37Å; A448-V452 PolarHBondContact O-N 3.05Å |
| 449 | G | 94.2 | Very high | 89 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.8 | -40.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V277 I281 P445 F446 T447 Y453 | V277-G449 WeakPolarHBondContact O-CA 3.41Å; I281-G449 WeakPolarHBondContact CG1-O 3.44Å; P445-G449 PolarHBondContact O-N 2.86Å; F446-G449 PolarHBondContact O-N 3.47Å; T447-G449 VanDerWaalsContact C-N 3.25Å; T447-G449 PolarHBondContact O-N 2.92Å; G449-Y453 WeakPolarHBondContact O-CB 3.21Å; G449-Y453 PolarHBondContact O-N 3.04Å |
| 450 | G | 90.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.4 | -45.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F446 T447 A448 Y453 I454 | F446-G450 PolarHBondContact O-N 3.31Å; T447-G450 CarbonylContact O-C 3.58Å; T447-G450 WeakPolarHBondContact O-CA 3.27Å; T447-G450 PolarHBondContact O-N 3.43Å; A448-G450 VanDerWaalsContact C-N 3.35Å; A448-G450 PolarHBondContact O-N 3.39Å; G450-Y453 WeakPolarHBondContact O-CB 3.4Å; G450-Y453 PolarHBondContact O-N 3.31Å; G450-I454 WeakPolarHBondContact O-CG1 3.49Å; G450-I454 PolarHBondContact O-N 2.79Å |
| 451 | F | 92.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.1 | -42.8 | 176.7 | -74.7 | -15 | 0 | 0 | 0 | 112.9 | L223 D226 A227 L231 A356 H360 H393 T447 A448 Y453 I454 A455 | L223-F451 HydrophobicContact CB-CB 4.5Å; L223-F451 HydrophobicContact CD2-CB 4.18Å; L223-F451 HydrophobicContact CD2-CD1 3.49Å; L223-F451 VanDerWaalsContact CD2-CD1 3.49Å; L223-F451 HydrophobicContact CD2-CD2 4.1Å; L223-F451 HydrophobicContact CD2-CE1 3.71Å; L223-F451 HydrophobicContact CD2-CE2 4.3Å; L223-F451 HydrophobicContact CD2-CG 3.69Å; L223-F451 HydrophobicContact CD2-CZ 4.1Å; D226-F451 WeakPolarHBondContact OD2-CD2 3.11Å; D226-F451 WeakPolarHBondContact OD2-CE2 3.49Å; A227-F451 HydrophobicContact CB-CB 4.15Å; L231-F451 HydrophobicContact CD1-CD2 3.87Å; L231-F451 HydrophobicContact CD1-CE2 4.11Å; A356-F451 HydrophobicContact CB-CD1 3.71Å; A356-F451 HydrophobicContact CB-CE1 3.63Å; H360-F451 HydrophobicContact CB-CE1 4.42Å; H360-F451 HydrophobicContact CB-CE2 4.03Å; H360-F451 HydrophobicContact CB-CZ 3.52Å; H360-F451 AromaticContact CD2-CE2 3.91Å; H360-F451 AromaticContact CD2-CZ 3.68Å; H360-F451 AromaticContact CE1-CE2 3.91Å; H360-F451 AromaticContact CG-CE2 3.68Å; H360-F451 AromaticContact CG-CZ 3.53Å; H360-F451 AromaticContact ND1-CE2 3.7Å; H393-F451 AromaticContact CE1-CE2 3.51Å; H393-F451 AromaticContact CE1-CZ 3.96Å; H393-F451 AromaticContact ND1-CE2 3.73Å; H393-F451 AromaticContact ND1-CZ 3.68Å; T447-F451 HydrophobicContact CG2-CE2 4.3Å; T447-F451 HydrophobicContact CG2-CZ 4.36Å; T447-F451 PolarHBondContact O-N 2.85Å; A448-F451 PolarHBondContact O-N 3.09Å; F451-Y453 VanDerWaalsContact C-N 3.26Å; F451-Y453 PolarHBondContact O-N 3.31Å; F451-I454 HydrophobicContact CD1-CD1 4.41Å; F451-I454 PolarHBondContact O-N 3.11Å; F451-A455 WeakPolarHBondContact O-CB 3.33Å; F451-A455 PolarHBondContact O-N 3.05Å |
| 452 | V | 95.7 | Very high | 90.2 | Very high | 14 Ų | 14 | 24.7 Ų | 24.7 | 9% | 0.085 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.6 | -41.3 | 171 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | L224 A227 F228 I281 A448 T456 | L224-V452 HydrophobicContact CD2-CG2 4.42Å; A227-V452 HydrophobicContact CB-CG2 3.91Å; F228-V452 HydrophobicContact CD2-CG2 4.33Å; F228-V452 HydrophobicContact CE2-CG2 3.65Å; F228-V452 HydrophobicContact CZ-CG1 4.49Å; F228-V452 HydrophobicContact CZ-CG2 3.78Å; I281-V452 HydrophobicContact CD1-CG1 4.17Å; A448-V452 WeakPolarHBondContact O-CB 3.43Å; A448-V452 VanDerWaalsContact O-CG2 3.31Å; A448-V452 WeakPolarHBondContact O-CG2 3.37Å; A448-V452 PolarHBondContact O-N 3.05Å; V452-T456 HydrophobicContact CG1-CG2 4.4Å; V452-T456 WeakPolarHBondContact O-CB 3.38Å; V452-T456 WeakPolarHBondContact O-CG2 3.46Å; V452-T456 PolarHBondContact O-N 3Å; V452-T456 PolarHBondContact O-OG1 2.97Å |
| 453 | Y | 93.7 | Very high | 90.1 | Very high | 8 Ų | 8 | 19.9 Ų | 19.9 | 3% | 0.031 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65 | -49.1 | 175.8 | -174.3 | -88.8 | 0 | 0 | 0 | 112.6 | I281 F284 L285 E288 L352 G449 G450 F451 A455 T456 V457 T458 | I281-Y453 HydrophobicContact CG2-CD2 4.27Å; F284-Y453 HydrophobicContact CB-CD1 3.56Å; F284-Y453 HydrophobicContact CB-CD2 4.32Å; F284-Y453 HydrophobicContact CB-CE1 4.04Å; F284-Y453 HydrophobicContact CB-CG 3.71Å; F284-Y453 HydrophobicContact CD1-CD1 4.24Å; F284-Y453 HydrophobicContact CG-CD1 4.35Å; L285-Y453 HydrophobicContact CB-CD2 4.43Å; L285-Y453 HydrophobicContact CB-CE2 3.66Å; L285-Y453 HydrophobicContact CD1-CE2 4.37Å; L285-Y453 HydrophobicContact CG-CE2 4.26Å; E288-Y453 HydrophobicContact CB-CE1 4.47Å; E288-Y453 PolarHBondContact OE1-OH 3.28Å; L352-Y453 HydrophobicContact CD1-CE1 4.25Å; G449-Y453 WeakPolarHBondContact O-CB 3.21Å; G449-Y453 PolarHBondContact O-N 3.04Å; G450-Y453 WeakPolarHBondContact O-CB 3.4Å; G450-Y453 PolarHBondContact O-N 3.31Å; F451-Y453 VanDerWaalsContact C-N 3.26Å; F451-Y453 PolarHBondContact O-N 3.31Å; Y453-A455 PolarHBondContact O-N 3.02Å; Y453-T456 PolarHBondContact O-N 2.85Å; Y453-V457 HydrophobicContact CD1-CB 4.4Å; Y453-V457 HydrophobicContact CD2-CB 4.24Å; Y453-V457 HydrophobicContact CD2-CG2 3.76Å; Y453-V457 HydrophobicContact CE1-CB 4.18Å; Y453-V457 HydrophobicContact CE1-CG1 4.27Å; Y453-V457 HydrophobicContact CE2-CB 3.99Å; Y453-V457 HydrophobicContact CE2-CG1 4.02Å; Y453-V457 HydrophobicContact CE2-CG2 3.71Å; Y453-V457 HydrophobicContact CG-CB 4.44Å; Y453-V457 HydrophobicContact CG-CG2 4.29Å; Y453-V457 WeakPolarHBondContact O-CA 3.32Å; Y453-V457 VanDerWaalsContact O-CB 3.28Å; Y453-V457 WeakPolarHBondContact O-CB 3.3Å; Y453-V457 PolarHBondContact O-N 3.28Å; Y453-T458 HydrophobicContact CE1-CG2 4.34Å |
| 454 | I | 91.3 | Very high | 90 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -56.9 | -52.4 | 178.1 | -72.2 | 164 | 0 | 0 | 0 | 109.9 | L223 F284 A356 I400 G450 F451 T458 V459 | L223-I454 HydrophobicContact CD1-CG2 4.02Å; F284-I454 HydrophobicContact CD1-CG1 4.37Å; F284-I454 HydrophobicContact CE1-CD1 3.98Å; F284-I454 HydrophobicContact CE1-CG1 4.32Å; A356-I454 HydrophobicContact CB-CD1 3.39Å; I400-I454 HydrophobicContact CD1-CG2 4.08Å; G450-I454 WeakPolarHBondContact O-CG1 3.49Å; G450-I454 PolarHBondContact O-N 2.79Å; F451-I454 HydrophobicContact CD1-CD1 4.41Å; F451-I454 PolarHBondContact O-N 3.11Å; I454-T458 WeakPolarHBondContact O-CA 3.12Å; I454-T458 WeakPolarHBondContact O-CB 3.31Å; I454-T458 PolarHBondContact O-N 3.14Å; I454-T458 PolarHBondContact O-OG1 3.37Å; I454-V459 HydrophobicContact CG2-CG2 3.99Å; I454-V459 WeakPolarHBondContact O-CG2 3.22Å; I454-V459 PolarHBondContact O-N 2.87Å |
| 455 | A | 92.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -60.9 | -49.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L223 L224 F451 Y453 V459 L460 | L223-A455 HydrophobicContact CB-CB 4.24Å; L224-A455 HydrophobicContact CD1-CB 4.2Å; L224-A455 HydrophobicContact CD2-CB 3.68Å; L224-A455 HydrophobicContact CG-CB 3.64Å; F451-A455 WeakPolarHBondContact O-CB 3.33Å; F451-A455 PolarHBondContact O-N 3.05Å; Y453-A455 PolarHBondContact O-N 3.02Å; A455-V459 WeakPolarHBondContact O-CB 3.24Å; A455-L460 WeakPolarHBondContact O-CB 3.37Å; A455-L460 WeakPolarHBondContact O-CG 3.43Å; A455-L460 PolarHBondContact O-N 3.33Å |
| 456 | T | 93.4 | Very high | 88.4 | Confident | 64 Ų | 64 | 31.5 Ų | 31.5 | 39% | 0.393 | 20% | 0.196 | S | C | . | . | I | π-helix | trans | -83.8 | -30.5 | -172.6 | 62 | 0 | 0 | 0 | 0 | 114.9 | L224 V452 Y453 L460 P461 | L224-T456 HydrophobicContact CD2-CG2 4.22Å; V452-T456 HydrophobicContact CG1-CG2 4.4Å; V452-T456 WeakPolarHBondContact O-CB 3.38Å; V452-T456 WeakPolarHBondContact O-CG2 3.46Å; V452-T456 PolarHBondContact O-N 3Å; V452-T456 PolarHBondContact O-OG1 2.97Å; Y453-T456 PolarHBondContact O-N 2.85Å; T456-L460 HydrophobicContact CG2-CD1 4.45Å; T456-P461 WeakPolarHBondContact O-CD 3.26Å; T456-P461 WeakPolarHBondContact O-CG 3.38Å |
| 457 | V | 90.2 | Very high | 87.1 | Confident | 61 Ų | 61 | 41.2 Ų | 41.2 | 37% | 0.37 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -104.6 | -28.9 | -173.6 | -173.6 | 0 | 0 | 0 | 0 | 112.7 | Y453 | Y453-V457 HydrophobicContact CD1-CB 4.4Å; Y453-V457 HydrophobicContact CD2-CB 4.24Å; Y453-V457 HydrophobicContact CD2-CG2 3.76Å; Y453-V457 HydrophobicContact CE1-CB 4.18Å; Y453-V457 HydrophobicContact CE1-CG1 4.27Å; Y453-V457 HydrophobicContact CE2-CB 3.99Å; Y453-V457 HydrophobicContact CE2-CG1 4.02Å; Y453-V457 HydrophobicContact CE2-CG2 3.71Å; Y453-V457 HydrophobicContact CG-CB 4.44Å; Y453-V457 HydrophobicContact CG-CG2 4.29Å; Y453-V457 WeakPolarHBondContact O-CA 3.32Å; Y453-V457 VanDerWaalsContact O-CB 3.28Å; Y453-V457 WeakPolarHBondContact O-CB 3.3Å; Y453-V457 PolarHBondContact O-N 3.28Å |
| 458 | T | 85 | Confident | 86.4 | Confident | 12 Ų | 12 | 43 Ų | 43 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -107.8 | -38.6 | -178.2 | 81.9 | 0 | 0 | 0 | 0 | 113.6 | Y453 I454 | Y453-T458 HydrophobicContact CE1-CG2 4.34Å; I454-T458 WeakPolarHBondContact O-CA 3.12Å; I454-T458 WeakPolarHBondContact O-CB 3.31Å; I454-T458 PolarHBondContact O-N 3.14Å; I454-T458 PolarHBondContact O-OG1 3.37Å |
| 459 | V | 87.4 | Confident | 86.1 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -89.2 | -62.1 | -172.3 | 172 | 0 | 0 | 0 | 0 | 112.3 | L216 I400 I454 A455 P461 E462 L463 | L216-V459 HydrophobicContact CD1-CB 4.3Å; L216-V459 HydrophobicContact CD1-CG1 3.63Å; L216-V459 HydrophobicContact CD1-CG2 3.97Å; L216-V459 HydrophobicContact CG-CG1 3.77Å; L216-V459 WeakPolarHBondContact O-CG1 3.49Å; I400-V459 HydrophobicContact CD1-CG2 3.53Å; I400-V459 HydrophobicContact CG1-CG2 4.02Å; I454-V459 HydrophobicContact CG2-CG2 3.99Å; I454-V459 WeakPolarHBondContact O-CG2 3.22Å; I454-V459 PolarHBondContact O-N 2.87Å; A455-V459 WeakPolarHBondContact O-CB 3.24Å; V459-P461 VanDerWaalsContact C-N 3.34Å; V459-E462 PolarHBondContact O-N 2.85Å; V459-L463 HydrophobicContact CG1-CD1 3.88Å; V459-L463 HydrophobicContact CG1-CG 4.42Å; V459-L463 PolarHBondContact O-N 3Å |
| 460 | L | 89.5 | Confident | 85.8 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 25% | 0.251 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -55 | -39.7 | -177.8 | -82.4 | 161.1 | 0 | 0 | 0 | 113.5 | S220 L224 A455 T456 E462 L463 L464 L480 | S220-L460 WeakPolarHBondContact OG-CG 3.49Å; L224-L460 HydrophobicContact CD1-CD1 4.18Å; A455-L460 WeakPolarHBondContact O-CB 3.37Å; A455-L460 WeakPolarHBondContact O-CG 3.43Å; A455-L460 PolarHBondContact O-N 3.33Å; T456-L460 HydrophobicContact CG2-CD1 4.45Å; L460-E462 PolarHBondContact O-N 3.36Å; L460-L463 HydrophobicContact CD2-CD1 4.37Å; L460-L463 PolarHBondContact O-N 3.45Å; L460-L464 WeakPolarHBondContact O-CB 3.3Å; L460-L464 VanDerWaalsContact O-CG 3.31Å; L460-L464 WeakPolarHBondContact O-CG 3.46Å; L460-L464 PolarHBondContact O-N 3.42Å; L460-L480 HydrophobicContact CD2-CD1 4.23Å |
| 461 | P | 87.7 | Confident | 85.6 | Confident | 65 Ų | 65 | 56.6 Ų | 56.6 | 42% | 0.422 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.9 | -30.9 | 175.5 | -25.1 | 38.3 | 0 | 0 | 0 | 114.3 | T456 V459 A465 | T456-P461 WeakPolarHBondContact O-CD 3.26Å; T456-P461 WeakPolarHBondContact O-CG 3.38Å; V459-P461 VanDerWaalsContact C-N 3.34Å; P461-A465 WeakPolarHBondContact O-CB 3.42Å; P461-A465 PolarHBondContact O-N 3.17Å |
| 462 | E | 82.1 | Confident | 85.4 | Confident | 58 Ų | 58 | 57 Ų | 57 | 27% | 0.271 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -77.1 | -30.6 | 173.6 | -73.5 | -158 | -164.1 | 0 | 0 | 112.3 | K347 Q403 V459 L460 A465 | K347-E462 IonicContact NZ-OE1 2.93Å; K347-E462 PolarHBondContact NZ-OE1 2.88Å; K347-E462 IonicContact NZ-OE2 2.84Å; K347-E462 PolarHBondContact NZ-OE2 2.93Å; Q403-E462 WeakPolarHBondContact CG-OE2 3.48Å; Q403-E462 PolarHBondContact NE2-OE2 3.41Å; V459-E462 PolarHBondContact O-N 2.85Å; L460-E462 PolarHBondContact O-N 3.36Å; E462-A465 WeakPolarHBondContact O-CB 3.44Å; E462-A465 PolarHBondContact O-N 3.29Å |
| 463 | L | 83.9 | Confident | 85.2 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 5% | 0.052 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.4 | -46.7 | 171.1 | -69.8 | 170.5 | 0 | 0 | 0 | 111.7 | K213 L216 V459 L460 A465 | K213-L463 HydrophobicContact CB-CD2 4.16Å; K213-L463 HydrophobicContact CG-CD2 4.36Å; K213-L463 PolarHBondContact NZ-O 3.38Å; K213-L463 VanDerWaalsContact O-CD2 3.24Å; K213-L463 WeakPolarHBondContact O-CD2 3.34Å; L216-L463 HydrophobicContact CB-CD2 3.95Å; L216-L463 HydrophobicContact CD2-CD2 3.91Å; L216-L463 HydrophobicContact CD2-CG 4.15Å; L216-L463 HydrophobicContact CG-CD2 3.88Å; L216-L463 HydrophobicContact CG-CG 4.13Å; V459-L463 HydrophobicContact CG1-CD1 3.88Å; V459-L463 HydrophobicContact CG1-CG 4.42Å; V459-L463 PolarHBondContact O-N 3Å; L460-L463 HydrophobicContact CD2-CD1 4.37Å; L460-L463 PolarHBondContact O-N 3.45Å; L463-A465 PolarHBondContact O-N 2.9Å |
| 464 | L | 84.4 | Confident | 85.1 | Confident | 144 Ų | 144 | 62.3 Ų | 62.3 | 75% | 0.754 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -70.2 | -10.3 | 176.8 | -66 | 171.1 | 0 | 0 | 0 | 113.4 | L460 | L460-L464 WeakPolarHBondContact O-CB 3.3Å; L460-L464 VanDerWaalsContact O-CG 3.31Å; L460-L464 WeakPolarHBondContact O-CG 3.46Å; L460-L464 PolarHBondContact O-N 3.42Å |
| 465 | A | 79.1 | Confident | 85.1 | Confident | 54 Ų | 54 | 65.7 Ų | 65.7 | 45% | 0.446 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -78.4 | 133.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K213 P461 E462 L463 | K213-A465 PolarHBondContact NZ-O 3.28Å; P461-A465 WeakPolarHBondContact O-CB 3.42Å; P461-A465 PolarHBondContact O-N 3.17Å; E462-A465 WeakPolarHBondContact O-CB 3.44Å; E462-A465 PolarHBondContact O-N 3.29Å; L463-A465 PolarHBondContact O-N 2.9Å |
| 466 | G | 68.7 | Low | 85.1 | Confident | 69 Ų | 69 | 66.3 Ų | 66.3 | 71% | 0.711 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 82.9 | 173.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S468 | G466-S468 PolarHBondContact O-N 3.28Š|
| 467 | R | 62.8 | Low | 85.1 | Confident | 254 Ų | 254 | 67.5 Ų | 67.5 | 96% | 0.958 | 38% | 0.378 | S | S | * | . | trans | -89.7 | 90 | -179.5 | -68.3 | -176.9 | 178.2 | 179.3 | -0.8 | 110.9 | ||||
| 468 | S | 76.6 | Confident | 85.2 | Confident | 39 Ų | 39 | 68.9 Ų | 68.9 | 27% | 0.273 | 38% | 0.382 | S | S | . | . | trans | -66.1 | 147.9 | 160.7 | -66.1 | 0 | 0 | 0 | 0 | 109.7 | K213 G466 E476 | K213-S468 PolarHBondContact NZ-OG 3.37Å; K213-S468 VanDerWaalsContact NZ-OG 3.12Å; G466-S468 PolarHBondContact O-N 3.28Å; S468-E476 PolarHBondContact OG-OE1 2.83Å; S468-E476 PolarHBondContact OG-OE2 2.82Å | ||
| 469 | S | 86.1 | Confident | 85.6 | Confident | 74 Ų | 74 | 68.5 Ų | 68.5 | 52% | 0.517 | 38% | 0.38 | S | S | . | . | trans | -73.8 | 160.9 | 168.2 | 74.3 | 0 | 0 | 0 | 0 | 110.3 | G471 Q472 S473 | S469-G471 VanDerWaalsContact C-N 3.29Å; S469-G471 PolarHBondContact O-N 2.94Å; S469-Q472 PolarHBondContact O-N 3.32Å; S469-Q472 VanDerWaalsContact O-N 3.14Å; S469-Q472 WeakPolarHBondContact OG-CB 3.3Å; S469-Q472 PolarHBondContact OG-N 3.48Å; S469-S473 PolarHBondContact O-N 3.28Å | ||
| 470 | F | 88.1 | Confident | 85.9 | Confident | 181 Ų | 181 | 70 Ų | 70 | 79% | 0.794 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -57.2 | -42.5 | 178.4 | 178.5 | -99.8 | 0 | 0 | 0 | 112.3 | S473 L474 | F470-S473 PolarHBondContact O-N 3.41Å; F470-L474 WeakPolarHBondContact O-CB 3.14Å; F470-L474 PolarHBondContact O-N 3Å |
| 471 | G | 87.8 | Confident | 86.2 | Confident | 32 Ų | 32 | 72.7 Ų | 72.7 | 33% | 0.33 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S469 L474 M475 | S469-G471 VanDerWaalsContact C-N 3.29Å; S469-G471 PolarHBondContact O-N 2.94Å; G471-L474 PolarHBondContact O-N 2.98Å; G471-M475 WeakPolarHBondContact O-CG 3.19Å; G471-M475 PolarHBondContact O-N 3.35Å |
| 472 | Q | 88.8 | Confident | 86.4 | Confident | 9 Ų | 9 | 72.8 Ų | 72.8 | 4% | 0.042 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 175.3 | 173.9 | 63.1 | 27.4 | 0 | 0 | 111.3 | N210 S469 L474 M475 E476 | N210-Q472 PolarHBondContact O-NE2 3.04Å; S469-Q472 PolarHBondContact O-N 3.32Å; S469-Q472 VanDerWaalsContact O-N 3.14Å; S469-Q472 WeakPolarHBondContact OG-CB 3.3Å; S469-Q472 PolarHBondContact OG-N 3.48Å; Q472-L474 VanDerWaalsContact C-N 3.33Å; Q472-L474 PolarHBondContact O-N 3.13Å; Q472-M475 WeakPolarHBondContact O-CB 3.44Å; Q472-M475 PolarHBondContact O-N 2.95Å; Q472-M475 VanDerWaalsContact O-N 3.14Å; Q472-E476 VanDerWaalsContact CG-OE1 3.25Å; Q472-E476 WeakPolarHBondContact CG-OE1 3.49Å; Q472-E476 PolarHBondContact NE2-OE1 3.43Å; Q472-E476 WeakPolarHBondContact O-CG 3.21Å; Q472-E476 PolarHBondContact O-N 2.81Å |
| 473 | S | 90.3 | Very high | 86.8 | Confident | 52 Ų | 52 | 70 Ų | 70 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.3 | -36.1 | 176.7 | -176.2 | 0 | 0 | 0 | 0 | 112.5 | S469 F470 E476 I477 | S469-S473 PolarHBondContact O-N 3.28Å; F470-S473 PolarHBondContact O-N 3.41Å; S473-E476 WeakPolarHBondContact CA-OE2 3.43Å; S473-E476 PolarHBondContact O-N 3.27Å; S473-I477 WeakPolarHBondContact O-CG1 3.47Å; S473-I477 PolarHBondContact O-N 3.13Å |
| 474 | L | 91.9 | Very high | 87.3 | Confident | 80 Ų | 80 | 71.7 Ų | 71.7 | 42% | 0.419 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 171.5 | -179.3 | 61 | 0 | 0 | 0 | 112.1 | F470 G471 Q472 I477 L478 | F470-L474 WeakPolarHBondContact O-CB 3.14Å; F470-L474 PolarHBondContact O-N 3Å; G471-L474 PolarHBondContact O-N 2.98Å; Q472-L474 VanDerWaalsContact C-N 3.33Å; Q472-L474 PolarHBondContact O-N 3.13Å; L474-I477 PolarHBondContact O-N 2.87Å; L474-L478 HydrophobicContact CD1-CD1 4.16Å; L474-L478 HydrophobicContact CD1-CG 4.24Å; L474-L478 HydrophobicContact CG-CD1 4.02Å; L474-L478 WeakPolarHBondContact O-CB 3.28Å; L474-L478 VanDerWaalsContact O-CG 3.26Å; L474-L478 WeakPolarHBondContact O-CG 3.23Å; L474-L478 PolarHBondContact O-N 3.17Å |
| 475 | M | 90.8 | Very high | 87.7 | Confident | 71 Ų | 71 | 66.3 Ų | 66.3 | 35% | 0.35 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.2 | -38.1 | 173.9 | -66.4 | -64.7 | 103.5 | 0 | 0 | 112 | V214 G471 Q472 L478 A479 | V214-M475 HydrophobicContact CG2-CB 4.08Å; G471-M475 WeakPolarHBondContact O-CG 3.19Å; G471-M475 PolarHBondContact O-N 3.35Å; Q472-M475 WeakPolarHBondContact O-CB 3.44Å; Q472-M475 PolarHBondContact O-N 2.95Å; Q472-M475 VanDerWaalsContact O-N 3.14Å; M475-L478 HydrophobicContact CE-CD1 3.8Å; M475-A479 WeakPolarHBondContact O-CB 3.43Å; M475-A479 PolarHBondContact O-N 3.36Å |
| 476 | E | 92.3 | Very high | 88.2 | Confident | 13 Ų | 13 | 64.9 Ų | 64.9 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 174.9 | -72.1 | 157.8 | -175.5 | 0 | 0 | 111.3 | K213 S217 S468 Q472 S473 A479 L480 | K213-E476 HydrophobicContact CB-CG 4.21Å; K213-E476 VanDerWaalsContact CB-OE1 3.28Å; K213-E476 WeakPolarHBondContact CB-OE1 3.5Å; K213-E476 WeakPolarHBondContact CD-OE1 3.16Å; S217-E476 VanDerWaalsContact CB-O 3.3Å; S217-E476 WeakPolarHBondContact CB-O 3.36Å; S217-E476 VanDerWaalsContact OG-C 3.31Å; S217-E476 PolarHBondContact OG-O 3.38Å; S468-E476 PolarHBondContact OG-OE1 2.83Å; S468-E476 PolarHBondContact OG-OE2 2.82Å; Q472-E476 VanDerWaalsContact CG-OE1 3.25Å; Q472-E476 WeakPolarHBondContact CG-OE1 3.49Å; Q472-E476 PolarHBondContact NE2-OE1 3.43Å; Q472-E476 WeakPolarHBondContact O-CG 3.21Å; Q472-E476 PolarHBondContact O-N 2.81Å; S473-E476 WeakPolarHBondContact CA-OE2 3.43Å; S473-E476 PolarHBondContact O-N 3.27Å; E476-A479 PolarHBondContact O-N 3.12Å; E476-L480 PolarHBondContact O-N 3.01Å |
| 477 | I | 92.9 | Very high | 89.2 | Confident | 90 Ų | 90 | 61.9 Ų | 61.9 | 46% | 0.462 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 177.8 | -66.1 | -64.3 | 0 | 0 | 0 | 111.9 | S473 L474 A479 L480 L481 | S473-I477 WeakPolarHBondContact O-CG1 3.47Å; S473-I477 PolarHBondContact O-N 3.13Å; L474-I477 PolarHBondContact O-N 2.87Å; I477-A479 VanDerWaalsContact C-N 3.31Å; I477-A479 PolarHBondContact O-N 3Å; I477-L480 PolarHBondContact O-N 3.22Å; I477-L481 HydrophobicContact CG2-CD1 3.95Å; I477-L481 HydrophobicContact CG2-CG 4.38Å; I477-L481 WeakPolarHBondContact O-CB 3.41Å; I477-L481 WeakPolarHBondContact O-CG 3.44Å; I477-L481 PolarHBondContact O-N 3.08Å |
| 478 | L | 94.1 | Very high | 90.5 | Very high | 89 Ų | 89 | 52.5 Ų | 52.5 | 47% | 0.466 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.3 | -35.7 | 175.8 | -73.3 | 171 | 0 | 0 | 0 | 112.2 | L474 M475 F482 | L474-L478 HydrophobicContact CD1-CD1 4.16Å; L474-L478 HydrophobicContact CD1-CG 4.24Å; L474-L478 HydrophobicContact CG-CD1 4.02Å; L474-L478 WeakPolarHBondContact O-CB 3.28Å; L474-L478 VanDerWaalsContact O-CG 3.26Å; L474-L478 WeakPolarHBondContact O-CG 3.23Å; L474-L478 PolarHBondContact O-N 3.17Å; M475-L478 HydrophobicContact CE-CD1 3.8Å; L478-F482 VanDerWaalsContact O-CB 3.25Å; L478-F482 WeakPolarHBondContact O-CB 3.33Å; L478-F482 PolarHBondContact O-N 3.39Å |
| 479 | A | 93 | Very high | 91 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 3% | 0.033 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | V214 F218 M475 E476 I477 F482 G483 | V214-A479 HydrophobicContact CG1-CB 3.98Å; F218-A479 WeakPolarHBondContact CA-O 3.28Å; F218-A479 HydrophobicContact CB-CB 4.12Å; M475-A479 WeakPolarHBondContact O-CB 3.43Å; M475-A479 PolarHBondContact O-N 3.36Å; E476-A479 PolarHBondContact O-N 3.12Å; I477-A479 VanDerWaalsContact C-N 3.31Å; I477-A479 PolarHBondContact O-N 3Å; A479-F482 PolarHBondContact O-N 3.44Å; A479-G483 PolarHBondContact O-N 2.91Å |
| 480 | L | 93.8 | Very high | 90.9 | Very high | 33 Ų | 33 | 54.1 Ų | 54.1 | 17% | 0.173 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.8 | -48.9 | 174.6 | -172.5 | 157.1 | 0 | 0 | 0 | 111.5 | S217 G221 L460 E476 I477 F482 G483 V484 | S217-L480 VanDerWaalsContact O-CA 3.27Å; S217-L480 WeakPolarHBondContact O-CA 3.42Å; S217-L480 WeakPolarHBondContact O-CB 3.5Å; G221-L480 WeakPolarHBondContact CA-O 3.42Å; L460-L480 HydrophobicContact CD2-CD1 4.23Å; E476-L480 PolarHBondContact O-N 3.01Å; I477-L480 PolarHBondContact O-N 3.22Å; L480-F482 VanDerWaalsContact C-N 3.26Å; L480-F482 PolarHBondContact O-N 3.18Å; L480-G483 PolarHBondContact O-N 3.36Å; L480-G483 VanDerWaalsContact O-N 3.1Å; L480-V484 HydrophobicContact CD2-CG2 4.19Å; L480-V484 PolarHBondContact O-N 3.22Å |
| 481 | L | 94.6 | Very high | 90.7 | Very high | 105 Ų | 105 | 47.2 Ų | 47.2 | 55% | 0.55 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.2 | -34.6 | 176.7 | -70.2 | 173.3 | 0 | 0 | 0 | 112.2 | I477 G485 | I477-L481 HydrophobicContact CG2-CD1 3.95Å; I477-L481 HydrophobicContact CG2-CG 4.38Å; I477-L481 WeakPolarHBondContact O-CB 3.41Å; I477-L481 WeakPolarHBondContact O-CG 3.44Å; I477-L481 PolarHBondContact O-N 3.08Å; L481-G485 PolarHBondContact O-N 3.44Å |
| 482 | F | 92.3 | Very high | 90.5 | Very high | 68 Ų | 68 | 53.5 Ų | 53.5 | 30% | 0.298 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.2 | -41.2 | 172.2 | 175.1 | -111.8 | 0 | 0 | 0 | 112 | L45 F218 L478 A479 L480 G485 M486 | L45-F482 HydrophobicContact CD2-CE1 4.22Å; L45-F482 HydrophobicContact CD2-CE2 3.62Å; L45-F482 HydrophobicContact CD2-CZ 3.37Å; L45-F482 HydrophobicContact CG-CZ 4.22Å; F218-F482 AromaticContact CD2-CD1 3.71Å; F218-F482 HydrophobicContact CD2-CD1 3.71Å; F218-F482 HydrophobicContact CD2-CE1 4.12Å; F218-F482 AromaticContact CE2-CD1 3.58Å; F218-F482 HydrophobicContact CE2-CD1 3.58Å; F218-F482 AromaticContact CE2-CE1 3.52Å; F218-F482 HydrophobicContact CE2-CE1 3.52Å; F218-F482 HydrophobicContact CZ-CE1 4.36Å; L478-F482 VanDerWaalsContact O-CB 3.25Å; L478-F482 WeakPolarHBondContact O-CB 3.33Å; L478-F482 PolarHBondContact O-N 3.39Å; A479-F482 PolarHBondContact O-N 3.44Å; L480-F482 VanDerWaalsContact C-N 3.26Å; L480-F482 PolarHBondContact O-N 3.18Å; F482-G485 PolarHBondContact O-N 2.89Å; F482-M486 HydrophobicContact CE1-SD 4.27Å; F482-M486 HydrophobicContact CE2-CB 4.34Å; F482-M486 HydrophobicContact CZ-CB 4.35Å; F482-M486 HydrophobicContact CZ-SD 4.18Å; F482-M486 VanDerWaalsContact O-CB 3.23Å; F482-M486 WeakPolarHBondContact O-CB 3.24Å; F482-M486 PolarHBondContact O-N 3.16Å |
| 483 | G | 91.8 | Very high | 90 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.8 | -49.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A479 L480 M487 | A479-G483 PolarHBondContact O-N 2.91Å; L480-G483 PolarHBondContact O-N 3.36Å; L480-G483 VanDerWaalsContact O-N 3.1Å; G483-M487 PolarHBondContact O-N 3.29Å |
| 484 | V | 93.6 | Very high | 89 | Confident | 44 Ų | 44 | 61.5 Ų | 61.5 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.5 | -48.1 | 176 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | G221 L229 L480 M486 M487 V488 | G221-V484 WeakPolarHBondContact O-CG2 3.48Å; G221-V484 PolarHBondContact O-N 3.47Å; L229-V484 HydrophobicContact CD1-CG1 4.17Å; L480-V484 HydrophobicContact CD2-CG2 4.19Å; L480-V484 PolarHBondContact O-N 3.22Å; V484-M486 VanDerWaalsContact C-N 3.25Å; V484-M486 PolarHBondContact O-N 3.1Å; V484-M487 PolarHBondContact O-N 3.48Å; V484-M487 VanDerWaalsContact O-N 3.08Å; V484-V488 WeakPolarHBondContact O-CG2 3.5Å; V484-V488 PolarHBondContact O-N 2.99Å |
| 485 | G | 92 | Very high | 88.8 | Confident | 32 Ų | 32 | 60.6 Ų | 60.6 | 33% | 0.33 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.9 | -26.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | L481 F482 L489 | L481-G485 PolarHBondContact O-N 3.44Å; F482-G485 PolarHBondContact O-N 2.89Å; G485-L489 WeakPolarHBondContact O-CG 3.48Å; G485-L489 PolarHBondContact O-N 3.12Å; G485-L489 VanDerWaalsContact O-N 3.15Å |
| 486 | M | 89.4 | Confident | 88.7 | Confident | 23 Ų | 23 | 60.1 Ų | 60.1 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -76.1 | -35.5 | 171.6 | 167.3 | -165.4 | 72.5 | 0 | 0 | 111.9 | F218 P392 F482 V484 L489 I490 | F218-M486 HydrophobicContact CE2-CE 3.5Å; F218-M486 VanDerWaalsContact CE2-CE 3.5Å; F218-M486 HydrophobicContact CE2-SD 3.82Å; F218-M486 HydrophobicContact CZ-CE 3.56Å; F218-M486 HydrophobicContact CZ-SD 3.84Å; P392-M486 HydrophobicContact CB-CE 3.46Å; P392-M486 VanDerWaalsContact CB-CE 3.46Å; P392-M486 HydrophobicContact CB-SD 4.42Å; P392-M486 HydrophobicContact CG-CE 3.19Å; P392-M486 HydrophobicContact CG-SD 3.56Å; P392-M486 VanDerWaalsContact CG-SD 3.56Å; F482-M486 HydrophobicContact CE1-SD 4.27Å; F482-M486 HydrophobicContact CE2-CB 4.34Å; F482-M486 HydrophobicContact CZ-CB 4.35Å; F482-M486 HydrophobicContact CZ-SD 4.18Å; F482-M486 VanDerWaalsContact O-CB 3.23Å; F482-M486 WeakPolarHBondContact O-CB 3.24Å; F482-M486 PolarHBondContact O-N 3.16Å; V484-M486 VanDerWaalsContact C-N 3.25Å; V484-M486 PolarHBondContact O-N 3.1Å; M486-L489 PolarHBondContact O-N 3.01Å; M486-I490 HydrophobicContact CG-CD1 4.37Å; M486-I490 WeakPolarHBondContact O-CG1 3.5Å; M486-I490 PolarHBondContact O-N 2.94Å; M486-I490 VanDerWaalsContact O-N 3.14Å |
| 487 | M | 89.5 | Confident | 88.5 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 3% | 0.03 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 170.5 | -69.9 | -62.3 | 167 | 0 | 0 | 112 | D226 H389 P392 H393 G483 V484 L489 I490 A491 | D226-M487 HydrophobicContact CB-CE 4.5Å; D226-M487 HydrophobicContact CB-CG 4.49Å; D226-M487 HydrophobicContact CB-SD 4.1Å; H389-M487 HydrophobicContact CB-CE 3.9Å; H389-M487 HydrophobicContact CB-SD 4.02Å; P392-M487 HydrophobicContact CB-CE 3.74Å; P392-M487 HydrophobicContact CG-CE 4.09Å; H393-M487 WeakPolarHBondContact NE2-CE 3.42Å; G483-M487 PolarHBondContact O-N 3.29Å; V484-M487 PolarHBondContact O-N 3.48Å; V484-M487 VanDerWaalsContact O-N 3.08Å; M487-L489 VanDerWaalsContact C-N 3.33Å; M487-L489 PolarHBondContact O-N 3.05Å; M487-I490 PolarHBondContact O-N 3.27Å; M487-I490 HydrophobicContact SD-CD1 4.24Å; M487-A491 PolarHBondContact O-N 3.33Å |
| 488 | V | 90.1 | Very high | 88.3 | Confident | 58 Ų | 58 | 61.1 Ų | 61.1 | 35% | 0.352 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.3 | -46.4 | 168.5 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | L229 V484 I490 A491 E492 | L229-V488 HydrophobicContact CD1-CG2 3.61Å; V484-V488 WeakPolarHBondContact O-CG2 3.5Å; V484-V488 PolarHBondContact O-N 2.99Å; V488-I490 PolarHBondContact O-N 2.98Å; V488-A491 PolarHBondContact O-N 3.47Å; V488-E492 HydrophobicContact CG1-CG 4.16Å; V488-E492 WeakPolarHBondContact O-CB 3.49Å; V488-E492 WeakPolarHBondContact O-CG 3.29Å; V488-E492 PolarHBondContact O-N 3.13Å |
| 489 | L | 87.9 | Confident | 87.9 | Confident | 128 Ų | 128 | 59.3 Ų | 59.3 | 67% | 0.67 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.9 | -19 | 179.9 | -74 | 170.5 | 0 | 0 | 0 | 114.4 | G485 M486 M487 | G485-L489 WeakPolarHBondContact O-CG 3.48Å; G485-L489 PolarHBondContact O-N 3.12Å; G485-L489 VanDerWaalsContact O-N 3.15Å; M486-L489 PolarHBondContact O-N 3.01Å; M487-L489 VanDerWaalsContact C-N 3.33Å; M487-L489 PolarHBondContact O-N 3.05Å |
| 490 | I | 84.6 | Confident | 87.6 | Confident | 18 Ų | 18 | 63 Ų | 63 | 9% | 0.092 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -86.2 | -47.5 | 175 | -66.2 | 164.9 | 0 | 0 | 0 | 109.3 | T385 L388 H389 M486 M487 V488 E492 Y493 E494 | T385-I490 HydrophobicContact CG2-CG2 3.76Å; L388-I490 HydrophobicContact CB-CD1 4.22Å; L388-I490 HydrophobicContact CB-CG1 4.4Å; H389-I490 HydrophobicContact CB-CD1 3.94Å; H389-I490 HydrophobicContact CB-CG2 4.46Å; M486-I490 HydrophobicContact CG-CD1 4.37Å; M486-I490 WeakPolarHBondContact O-CG1 3.5Å; M486-I490 PolarHBondContact O-N 2.94Å; M486-I490 VanDerWaalsContact O-N 3.14Å; M487-I490 PolarHBondContact O-N 3.27Å; M487-I490 HydrophobicContact SD-CD1 4.24Å; V488-I490 PolarHBondContact O-N 2.98Å; I490-E492 PolarHBondContact O-N 3.45Å; I490-Y493 PolarHBondContact O-N 3.46Å; I490-E494 PolarHBondContact O-N 3.01Å; I490-E494 VanDerWaalsContact O-N 3.15Å |
| 491 | A | 82.9 | Confident | 87.1 | Confident | 37 Ų | 37 | 65.1 Ų | 65.1 | 31% | 0.306 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.1 | -11.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | M487 V488 | M487-A491 PolarHBondContact O-N 3.33Å; V488-A491 PolarHBondContact O-N 3.47Å |
| 492 | E | 83.8 | Confident | 86.5 | Confident | 163 Ų | 163 | 62.1 Ų | 62.1 | 76% | 0.762 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 0.6 | 170.2 | -66.6 | -104.2 | 170.9 | 0 | 0 | 112.9 | V488 I490 | V488-E492 HydrophobicContact CG1-CG 4.16Å; V488-E492 WeakPolarHBondContact O-CB 3.49Å; V488-E492 WeakPolarHBondContact O-CG 3.29Å; V488-E492 PolarHBondContact O-N 3.13Å; I490-E492 PolarHBondContact O-N 3.45Å |
| 493 | Y | 77.7 | Confident | 86.1 | Confident | 113 Ų | 113 | 61.6 Ų | 61.6 | 44% | 0.443 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -17.1 | 179.6 | -168.8 | -87.5 | 0 | 0 | 0 | 113.2 | I490 | I490-Y493 PolarHBondContact O-N 3.46Š|
| 494 | E | 69.4 | Low | 85.5 | Confident | 117 Ų | 117 | 67.2 Ų | 67.2 | 55% | 0.547 | 36% | 0.356 | S | S | . | . | trans | -80.1 | 0 | 173.5 | -172.1 | 168.7 | -150.7 | 0 | 0 | 112.4 | H230 T385 I490 | H230-E494 IonicContact CE1-OE1 3.97Å; H230-E494 PolarHBondContact CE1-OE1 3.27Å; H230-E494 IonicContact CE1-OE2 3.83Å; H230-E494 PolarHBondContact CE1-OE2 3.5Å; H230-E494 IonicContact ND1-OE2 2.97Å; H230-E494 PolarHBondContact ND1-OE2 3.09Å; T385-E494 HydrophobicContact CG2-CB 4.04Å; T385-E494 HydrophobicContact CG2-CG 4.08Å; I490-E494 PolarHBondContact O-N 3.01Å; I490-E494 VanDerWaalsContact O-N 3.15Å |
Retrieved 494 of 494 residues in 510.7 ms
(Link to these results)