| 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 | 31.3 | Very low | 30.3 | Very low | 232 Ų | 232 | 165.5 Ų | 165.5 | 100% | 1.143 | 84% | 0.838 | S | S | * | * | 0 | 117.9 | 0 | -96.4 | 176.4 | 163.2 | 0 | 0 | 107.3 | |||||
| 2 | M | 33.9 | Very low | 30.2 | Very low | 169 Ų | 169 | 162.4 Ų | 162.4 | 83% | 0.833 | 83% | 0.834 | S | S | * | * | trans | 38.4 | 133 | 161.8 | -54.5 | -171.4 | -140.6 | 0 | 0 | 118.6 | ||||
| 3 | D | 32.8 | Very low | 30.1 | Very low | 148 Ų | 148 | 157.8 Ų | 157.8 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | cis | -166.9 | 155.9 | -3.6 | -108.8 | -39.2 | 0 | 0 | 0 | 105.9 | ||||
| 4 | K | 31.1 | Very low | 30 | Very low | 192 Ų | 192 | 155 Ų | 155 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -63.5 | 147.3 | 169.9 | -71.3 | 170.4 | 168.3 | 175.4 | 0 | 110.7 | ||||
| 5 | E | 31.1 | Very low | 30.2 | Very low | 165 Ų | 165 | 155.5 Ų | 155.5 | 77% | 0.771 | 82% | 0.817 | S | S | * | * | 143.4 | 136 | 123.5 | -83.4 | -168.5 | 144.9 | 0 | 0 | 114.3 | |||||
| 6 | N | 29 | Very low | 30.4 | Very low | 129 Ų | 129 | 155.9 Ų | 155.9 | 69% | 0.69 | 82% | 0.815 | S | S | * | * | trans | 65.9 | 104.4 | 147.2 | -64.9 | -26.9 | 0 | 0 | 0 | 118.4 | ||||
| 7 | T | 32.5 | Very low | 30.5 | Very low | 136 Ų | 136 | 153.2 Ų | 153.2 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | -173.6 | 102.7 | 108.3 | 21.1 | 0 | 0 | 0 | 0 | 112.2 | A9 | T7-A9 PolarHBondContact O-N 3.47Å; T7-A9 VanDerWaalsContact O-N 3.08Å | |||
| 8 | N | 26.4 | Very low | 30.5 | Very low | 178 Ų | 178 | 150.3 Ų | 150.3 | 95% | 0.952 | 80% | 0.795 | S | S | * | * | trans | -64.7 | 93.8 | 153 | -78.3 | -34 | 0 | 0 | 0 | 108.7 | ||||
| 9 | A | 28.3 | Very low | 30.5 | Very low | 79 Ų | 79 | 149.5 Ų | 149.5 | 65% | 0.653 | 79% | 0.791 | S | S | * | * | trans | -173.9 | 88.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T7 | T7-A9 PolarHBondContact O-N 3.47Å; T7-A9 VanDerWaalsContact O-N 3.08Å | ||
| 10 | F | 29.9 | Very low | 30.6 | Very low | 208 Ų | 208 | 148.4 Ų | 148.4 | 91% | 0.912 | 78% | 0.781 | S | S | * | * | trans | -162.5 | 93.9 | 134.7 | -132 | -100.5 | 0 | 0 | 0 | 110.4 | ||||
| 11 | K | 27.5 | Very low | 30.6 | Very low | 184 Ų | 184 | 149.3 Ų | 149.3 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | -72.1 | 143.9 | 163.1 | -99.5 | 176.4 | 176 | 176.2 | 0 | 108.9 | ||||
| 12 | T | 28.1 | Very low | 30.5 | Very low | 129 Ų | 129 | 144 Ų | 144 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | 67.5 | 103.2 | 149.6 | 55.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 13 | S | 29.9 | Very low | 30.5 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | -134 | 139.8 | 146.4 | 77.3 | 0 | 0 | 0 | 0 | 110.4 | Q15 | S13-Q15 PolarHBondContact O-N 3.1Š| ||
| 14 | P | 28.3 | Very low | 30.5 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | -91.2 | 95.2 | -170.3 | 34.6 | -28.9 | 0 | 0 | 0 | 110.1 | ||||
| 15 | Q | 32.6 | Very low | 30.5 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | trans | -136.7 | 3.4 | 171.3 | -76.8 | -155.5 | -35.4 | 0 | 0 | 115.5 | S13 | S13-Q15 PolarHBondContact O-N 3.1Š| ||
| 16 | M | 33.1 | Very low | 30.4 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 79% | 0.793 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -74.5 | -21.7 | 175.5 | -90.8 | 166.3 | 75.1 | 0 | 0 | 114.3 | C18 E20 | M16-C18 VanDerWaalsContact C-N 3.34Å; M16-C18 PolarHBondContact O-N 3.16Å; M16-E20 PolarHBondContact O-N 3.2Å |
| 17 | D | 32.3 | Very low | 30.3 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 59% | 0.588 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -75.8 | -12.3 | -172.9 | -69.1 | -23.2 | 0 | 0 | 0 | 115.5 | ||
| 18 | C | 30 | Very low | 30 | Very low | 101 Ų | 101 | 130 Ų | 130 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -96.7 | -24.2 | 179.5 | -77.7 | 0 | 0 | 0 | 0 | 113.8 | M16 | M16-C18 VanDerWaalsContact C-N 3.34Å; M16-C18 PolarHBondContact O-N 3.16Å |
| 19 | L | 31.2 | Very low | 30.1 | Very low | 135 Ų | 135 | 126 Ų | 126 | 71% | 0.707 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -32.1 | 174.8 | -95.3 | 158 | 0 | 0 | 0 | 111.8 | K21 L22 A23 | L19-K21 VanDerWaalsContact C-N 3.27Å; L19-K21 PolarHBondContact O-N 3.46Å; L19-L22 PolarHBondContact O-N 3.46Å; L19-A23 PolarHBondContact O-N 2.9Å; L19-A23 VanDerWaalsContact O-N 3.16Å |
| 20 | E | 32.4 | Very low | 30.1 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 60% | 0.598 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -66.9 | -27.3 | 175.1 | -150.9 | 177.6 | 175.7 | 0 | 0 | 112.5 | M16 V24 | M16-E20 PolarHBondContact O-N 3.2Å; E20-V24 VanDerWaalsContact O-CG2 3.27Å; E20-V24 WeakPolarHBondContact O-CG2 3.23Å |
| 21 | K | 31.9 | Very low | 30 | Very low | 167 Ų | 167 | 122.5 Ų | 122.5 | 73% | 0.726 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -83.1 | -16.5 | 176.2 | -72.5 | -178.9 | -179.2 | 175.4 | 0 | 114.6 | L19 | L19-K21 VanDerWaalsContact C-N 3.27Å; L19-K21 PolarHBondContact O-N 3.46Å |
| 22 | L | 29.3 | Very low | 30 | Very low | 121 Ų | 121 | 119.1 Ų | 119.1 | 63% | 0.634 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -91.4 | -33.4 | 175.5 | -88.8 | 154.7 | 0 | 0 | 0 | 111.8 | L19 V24 S25 | L19-L22 PolarHBondContact O-N 3.46Å; L22-V24 VanDerWaalsContact C-N 3.26Å; L22-V24 PolarHBondContact O-N 3.4Å; L22-S25 PolarHBondContact O-N 3.18Å; L22-S25 PolarHBondContact O-OG 3.32Å |
| 23 | A | 32.8 | Very low | 29.9 | Very low | 76 Ų | 76 | 121.7 Ų | 121.7 | 63% | 0.628 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -69.1 | -19 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L19 | L19-A23 PolarHBondContact O-N 2.9Å; L19-A23 VanDerWaalsContact O-N 3.16Å |
| 24 | V | 33.7 | Very low | 29.8 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 4.8 | 179.3 | 177.3 | 0 | 0 | 0 | 0 | 112.8 | E20 L22 | E20-V24 VanDerWaalsContact O-CG2 3.27Å; E20-V24 WeakPolarHBondContact O-CG2 3.23Å; L22-V24 VanDerWaalsContact C-N 3.26Å; L22-V24 PolarHBondContact O-N 3.4Å |
| 25 | S | 29.6 | Very low | 29.8 | Very low | 89 Ų | 89 | 122.3 Ų | 122.3 | 62% | 0.622 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 8.4 | -177.2 | 67.3 | 0 | 0 | 0 | 0 | 115.6 | L22 | L22-S25 PolarHBondContact O-N 3.18Å; L22-S25 PolarHBondContact O-OG 3.32Å |
| 26 | L | 28.9 | Very low | 29.4 | Very low | 118 Ų | 118 | 120.5 Ų | 120.5 | 62% | 0.618 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -91.9 | 143.8 | 171.7 | -79.4 | 149.9 | 0 | 0 | 0 | 110.6 | S28 | L26-S28 PolarHBondContact O-N 3.22Š|
| 27 | P | 28.1 | Very low | 29.1 | Very low | 116 Ų | 116 | 117.9 Ų | 117.9 | 75% | 0.753 | 71% | 0.714 | S | S | * | * | trans | -73.4 | 102.4 | -160 | 28.5 | -33.7 | 0 | 0 | 0 | 112.9 | A29 | P27-A29 PolarHBondContact O-N 2.77Š| ||
| 28 | S | 27 | Very low | 29 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 87% | 0.867 | 73% | 0.727 | S | S | * | * | trans | -68.4 | 34.1 | 166 | -64.5 | 0 | 0 | 0 | 0 | 114.3 | L26 | L26-S28 PolarHBondContact O-N 3.22Š| ||
| 29 | A | 26.5 | Very low | 28.8 | Very low | 94 Ų | 94 | 124.1 Ų | 124.1 | 78% | 0.777 | 74% | 0.735 | S | S | * | * | trans | -104.5 | 21.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116 | P27 | P27-A29 PolarHBondContact O-N 2.77Š| ||
| 30 | A | 28.9 | Very low | 28.8 | Very low | 84 Ų | 84 | 129 Ų | 129 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -124.7 | -3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 31 | F | 27.7 | Very low | 28.5 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 58% | 0.575 | 76% | 0.755 | S | S | * | * | trans | -135.8 | 87.2 | -178.2 | -71.7 | -82 | 0 | 0 | 0 | 111.5 | N314 V317 | F31-N314 WeakPolarHBondContact CE1-OD1 3.14Å; F31-N314 HydrophobicContact CZ-CB 4.49Å; F31-N314 WeakPolarHBondContact CZ-OD1 2.76Å; F31-V317 HydrophobicContact CE1-CG2 4.44Å | ||
| 32 | S | 28.1 | Very low | 28.4 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | -156 | 88.6 | 162.1 | -78.3 | 0 | 0 | 0 | 0 | 109.4 | V34 | S32-V34 PolarHBondContact O-N 3.5Š| ||
| 33 | L | 26 | Very low | 28.5 | Very low | 184 Ų | 184 | 132 Ų | 132 | 96% | 0.963 | 76% | 0.763 | S | S | * | * | trans | -80.7 | 89.8 | 157.3 | -80.4 | 166.2 | 0 | 0 | 0 | 107.2 | ||||
| 34 | V | 28.4 | Very low | 28.3 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -111.4 | 123.8 | 163.4 | 178 | 0 | 0 | 0 | 0 | 106.8 | S32 | S32-V34 PolarHBondContact O-N 3.5Š| ||
| 35 | P | 27.5 | Very low | 28.1 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | trans | -86.7 | 146.5 | 176.3 | 33.5 | -29.1 | 0 | 0 | 0 | 111.3 | ||||
| 36 | C | 24.3 | Very low | 28.2 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | 85.5 | 117.8 | 156.3 | -70.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 37 | S | 26.7 | Very low | 28.4 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | 81 | 94 | 129.8 | 177.2 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 38 | E | 30.2 | Very low | 28.7 | Very low | 186 Ų | 186 | 150.5 Ų | 150.5 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | -174.2 | 137.4 | 110.9 | -106.3 | 179.9 | 143.5 | 0 | 0 | 112.1 | |||||
| 39 | N | 26.6 | Very low | 29 | Very low | 156 Ų | 156 | 153.4 Ų | 153.4 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -57.2 | 133.2 | 173.2 | -74.2 | -37.2 | 0 | 0 | 0 | 111.7 | ||||
| 40 | R | 29.7 | Very low | 29.4 | Very low | 238 Ų | 238 | 159 Ų | 159 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | -171.2 | 131.8 | 133.5 | -105.9 | 175.5 | -117.5 | -142.9 | 4.1 | 111.6 | ||||
| 41 | D | 26.4 | Very low | 29.7 | Very low | 156 Ų | 156 | 164.3 Ų | 164.3 | 83% | 0.834 | 83% | 0.828 | S | S | * | * | trans | -50.4 | 133.1 | 179.8 | -57.4 | -73.6 | 0 | 0 | 0 | 114 | ||||
| 42 | F | 29.6 | Very low | 29.8 | Very low | 201 Ų | 201 | 163.8 Ų | 163.8 | 88% | 0.882 | 84% | 0.841 | S | S | * | * | trans | -154.2 | 105.1 | 152 | -138 | -98.5 | 0 | 0 | 0 | 113.9 | ||||
| 43 | D | 31.3 | Very low | 30 | Very low | 122 Ų | 122 | 161.6 Ų | 161.6 | 65% | 0.652 | 84% | 0.836 | S | S | * | * | trans | 23.6 | 108.6 | 152.3 | -94.6 | -47.1 | 0 | 0 | 0 | 121.6 | R45 | D43-R45 PolarHBondContact O-N 2.93Š| ||
| 44 | T | 30 | Very low | 30.3 | Very low | 144 Ų | 144 | 164.5 Ų | 164.5 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | trans | -78.2 | 86.7 | 162.7 | 37.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 45 | R | 29.6 | Very low | 30.5 | Very low | 219 Ų | 219 | 168.8 Ų | 168.8 | 83% | 0.826 | 84% | 0.843 | S | S | * | * | trans | -136.4 | 5.1 | 170.2 | -82.5 | -165.9 | -163.2 | -179.1 | 7.5 | 118.4 | D43 | D43-R45 PolarHBondContact O-N 2.93Š| ||
| 46 | F | 32 | Very low | 30.6 | Very low | 204 Ų | 204 | 167.4 Ų | 167.4 | 90% | 0.895 | 85% | 0.849 | S | S | * | * | S | Bend | trans | -114.3 | 0.5 | -173 | -110 | -93 | 0 | 0 | 0 | 117.8 | ||
| 47 | L | 33.1 | Very low | 30.8 | Very low | 175 Ų | 175 | 168 Ų | 168 | 92% | 0.916 | 85% | 0.852 | S | S | * | * | S | Bend | trans | -106.6 | 19 | -173.7 | -107.8 | 151.8 | 0 | 0 | 0 | 115.7 | ||
| 48 | N | 32.6 | Very low | 30.8 | Very low | 166 Ų | 166 | 165.8 Ų | 165.8 | 89% | 0.888 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -116.9 | 17.2 | 179 | -91.2 | -19.8 | 0 | 0 | 0 | 114.7 | ||
| 49 | K | 33.7 | Very low | 30.7 | Very low | 185 Ų | 185 | 165.2 Ų | 165.2 | 80% | 0.804 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -114.4 | 6.8 | -173 | -107.6 | -179 | 178.8 | -178.3 | 0 | 117 | ||
| 50 | F | 34.8 | Very low | 30.9 | Very low | 211 Ų | 211 | 164.5 Ų | 164.5 | 93% | 0.925 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -112.1 | 19.3 | -179.3 | -105.1 | -82.8 | 0 | 0 | 0 | 115.8 | ||
| 51 | Q | 35.5 | Very low | 30.8 | Very low | 196 Ų | 196 | 162.4 Ų | 162.4 | 92% | 0.916 | 84% | 0.838 | S | S | * | * | trans | -123.4 | 20.9 | 179.8 | -98 | -168.8 | -9.3 | 0 | 0 | 115.6 | ||||
| 52 | S | 30.8 | Very low | 31 | Very low | 120 Ų | 120 | 160.8 Ų | 160.8 | 84% | 0.839 | 84% | 0.839 | S | S | * | * | trans | -96.6 | 100.8 | 174.5 | 71.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 53 | G | 31.5 | Very low | 30.8 | Very low | 67 Ų | 67 | 155.7 Ų | 155.7 | 69% | 0.691 | 83% | 0.828 | S | S | * | * | trans | -166.8 | 29.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 54 | R | 32.1 | Very low | 30.7 | Very low | 244 Ų | 244 | 161.9 Ų | 161.9 | 92% | 0.921 | 84% | 0.843 | S | S | * | * | S | Bend | trans | 164.9 | 109.9 | 141.1 | -94.5 | 170.3 | -175.9 | 174.6 | 2.3 | 113.8 | ||
| 55 | K | 33.1 | Very low | 30.5 | Very low | 214 Ų | 214 | 161 Ų | 161 | 93% | 0.93 | 84% | 0.837 | S | S | * | * | trans | 16.5 | 108.7 | 145.1 | -58.2 | -179.5 | 177.9 | -178 | 0 | 117.1 | ||||
| 56 | G | 28.6 | Very low | 30.4 | Very low | 81 Ų | 81 | 158.2 Ų | 158.2 | 84% | 0.835 | 84% | 0.838 | S | S | * | * | 121.5 | 134.7 | 85 | 0 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 57 | C | 28.7 | Very low | 30.3 | Very low | 136 Ų | 136 | 153.1 Ų | 153.1 | 92% | 0.919 | 83% | 0.828 | S | S | * | * | cis | -166.3 | 143.8 | 35.3 | -176.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 58 | G | 27 | Very low | 29.9 | Very low | 60 Ų | 60 | 153.9 Ų | 153.9 | 62% | 0.619 | 83% | 0.827 | S | S | * | * | trans | 80 | 102.6 | 148.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 59 | M | 28.7 | Very low | 29.8 | Very low | 174 Ų | 174 | 151.6 Ų | 151.6 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | 85.9 | 130 | 101.8 | -77.8 | -134.7 | -47 | 0 | 0 | 113.6 | |||||
| 60 | I | 31.2 | Very low | 29.6 | Very low | 142 Ų | 142 | 149.1 Ų | 149.1 | 73% | 0.728 | 82% | 0.821 | S | S | * | * | cis | -157.8 | 149.4 | 18.5 | -92.7 | 148.5 | 0 | 0 | 0 | 108.5 | ||||
| 61 | K | 27.1 | Very low | 29.1 | Very low | 193 Ų | 193 | 146.5 Ų | 146.5 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -66.6 | 152.1 | 175.2 | -74 | 170.6 | 170.6 | 174.2 | 0 | 114 | ||||
| 62 | S | 29.6 | Very low | 28.9 | Very low | 122 Ų | 122 | 143 Ų | 143 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -151.9 | 120.6 | 131.9 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 63 | S | 25.9 | Very low | 28.7 | Very low | 94 Ų | 94 | 143 Ų | 143 | 66% | 0.657 | 81% | 0.806 | S | S | * | * | trans | -69.9 | 152.3 | 175.8 | -46 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 64 | R | 29.7 | Very low | 28.6 | Very low | 252 Ų | 252 | 144.4 Ų | 144.4 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | trans | -161 | 112.4 | 140.4 | -106.9 | 169.7 | -166.1 | -177.1 | 3.8 | 110.9 | ||||
| 65 | T | 24.9 | Very low | 28.6 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -81 | 145.7 | 166 | 46.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 66 | L | 27.8 | Very low | 28.2 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | 171.7 | 109.6 | 145.5 | -117.4 | 82.8 | 0 | 0 | 0 | 107.1 | ||||
| 67 | S | 29.9 | Very low | 28.1 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | 107 | 112 | 79.5 | 60 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 68 | E | 25 | Very low | 27.9 | Very low | 192 Ų | 192 | 141.2 Ų | 141.2 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -62.6 | 159.1 | 169.6 | -88 | 169.6 | 117.8 | 0 | 0 | 112.9 | ||||
| 69 | P | 29.6 | Very low | 27.8 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | -139.4 | 128.1 | 127.9 | 31.6 | -14.5 | 0 | 0 | 0 | 115.4 | |||||
| 70 | T | 29.5 | Very low | 27.8 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | 4.1 | 133.9 | 144.9 | 51.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 71 | L | 25.9 | Very low | 27.5 | Very low | 156 Ų | 156 | 143.7 Ų | 143.7 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | trans | -54.7 | 161.2 | 167.1 | -110.3 | 96 | 0 | 0 | 0 | 115.4 | ||||
| 72 | P | 29.7 | Very low | 27.5 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | trans | -128.5 | 150.4 | 131.6 | 36.1 | -24.9 | 0 | 0 | 0 | 114.2 | ||||
| 73 | T | 27.8 | Very low | 27.3 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | -79.2 | 155.7 | -175.8 | 46.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 74 | S | 28.1 | Very low | 27.4 | Very low | 95 Ų | 95 | 142.4 Ų | 142.4 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | trans | 105.5 | 139.4 | 140.4 | 86.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 75 | K | 31.8 | Very low | 27.3 | Very low | 197 Ų | 197 | 140.8 Ų | 140.8 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | 84 | 135.4 | 164.1 | -55.4 | 172.6 | -174.9 | 178.6 | 0 | 115 | ||||
| 76 | S | 26.1 | Very low | 27.6 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | cis | 175.7 | 134.9 | -5.5 | 163.7 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 77 | L | 25.8 | Very low | 27.7 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | trans | 44.7 | 130.8 | 150 | -82.6 | 89.7 | 0 | 0 | 0 | 118.1 | ||||
| 78 | K | 25.8 | Very low | 27.9 | Very low | 177 Ų | 177 | 136 Ų | 136 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | 174.3 | 141.2 | 58.6 | -119.4 | 154.2 | -176.7 | -175.2 | 0 | 109.6 | |||||
| 79 | S | 24.5 | Very low | 28.5 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | trans | 44.9 | 110.5 | 146 | 70.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 80 | M | 28 | Very low | 28.8 | Very low | 194 Ų | 194 | 132.5 Ų | 132.5 | 96% | 0.956 | 74% | 0.743 | S | S | * | * | trans | -152.9 | 86.6 | 134.5 | -133.1 | 169.7 | 175.2 | 0 | 0 | 110.1 | ||||
| 81 | T | 24.5 | Very low | 29.1 | Very low | 129 Ų | 129 | 130 Ų | 130 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | -82.5 | 117.7 | 158.5 | 41.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 82 | T | 27.2 | Very low | 29.8 | Very low | 127 Ų | 127 | 131 Ų | 131 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | trans | 178.5 | 125.3 | 133.3 | 40.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 83 | S | 25.3 | Very low | 30.1 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | trans | 24.6 | 108.5 | 149.7 | 63.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 84 | N | 28.2 | Very low | 30.4 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | -158.3 | 132.2 | 126.9 | -88 | -34.3 | 0 | 0 | 0 | 109 | V86 | N84-V86 PolarHBondContact O-N 2.92Š| |||
| 85 | F | 27.1 | Very low | 31 | Very low | 217 Ų | 217 | 130.3 Ų | 130.3 | 95% | 0.952 | 70% | 0.701 | S | S | * | * | trans | -63.6 | 96 | -176.3 | -149.6 | -100.9 | 0 | 0 | 0 | 109 | S87 | F85-S87 PolarHBondContact O-N 3.1Š| ||
| 86 | V | 31.8 | Very low | 31 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 65% | 0.648 | 69% | 0.688 | S | S | * | * | trans | -76.5 | 120.4 | 178.9 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | N84 F90 | N84-V86 PolarHBondContact O-N 2.92Å; V86-F90 HydrophobicContact CG1-CB 3.84Å; V86-F90 HydrophobicContact CG1-CG 4.47Å | ||
| 87 | S | 29.8 | Very low | 31.3 | Very low | 67 Ų | 67 | 130.4 Ų | 130.4 | 47% | 0.469 | 69% | 0.686 | S | S | . | * | trans | -53.1 | 138.9 | 178 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | F85 T89 F90 | F85-S87 PolarHBondContact O-N 3.1Å; S87-T89 PolarHBondContact O-N 3.43Å; S87-T89 PolarHBondContact OG-OG1 3.32Å; S87-F90 PolarHBondContact O-N 3.36Å; S87-F90 VanDerWaalsContact O-N 3.12Å | ||
| 88 | P | 34.8 | Very low | 31.8 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 71% | 0.708 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -6.5 | -177.4 | 22.9 | -32.7 | 0 | 0 | 0 | 114.7 | ||
| 89 | T | 37.8 | Very low | 32.2 | Very low | 84 Ų | 84 | 124.9 Ų | 124.9 | 52% | 0.515 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.1 | -32.9 | 174.2 | -38.6 | 0 | 0 | 0 | 0 | 112.8 | S87 R92 Y93 | S87-T89 PolarHBondContact O-N 3.43Å; S87-T89 PolarHBondContact OG-OG1 3.32Å; T89-R92 PolarHBondContact O-N 3Å; T89-Y93 HydrophobicContact CG2-CE2 4.32Å; T89-Y93 VanDerWaalsContact O-CD2 3.24Å; T89-Y93 WeakPolarHBondContact O-CD2 3.4Å |
| 90 | F | 34.8 | Very low | 32.7 | Very low | 152 Ų | 152 | 124.4 Ų | 124.4 | 67% | 0.667 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -76.8 | -30.3 | -174.2 | -153 | -98.6 | 0 | 0 | 0 | 112.9 | V86 S87 R92 Y93 | V86-F90 HydrophobicContact CG1-CB 3.84Å; V86-F90 HydrophobicContact CG1-CG 4.47Å; S87-F90 PolarHBondContact O-N 3.36Å; S87-F90 VanDerWaalsContact O-N 3.12Å; F90-R92 PolarHBondContact O-N 2.88Å; F90-Y93 PolarHBondContact O-N 2.81Å |
| 91 | A | 37.3 | Very low | 32.9 | Very low | 79 Ų | 79 | 121.6 Ų | 121.6 | 65% | 0.653 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -69.2 | -19.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y93 | A91-Y93 VanDerWaalsContact C-N 3.3Å; A91-Y93 PolarHBondContact O-N 3.29Å |
| 92 | R | 39.2 | Very low | 33.3 | Very low | 178 Ų | 178 | 119.6 Ų | 119.6 | 67% | 0.672 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -71.6 | -18.6 | 177.7 | -103.4 | -179.2 | -166 | 171.6 | 3.9 | 114.1 | T89 F90 | T89-R92 PolarHBondContact O-N 3Å; F90-R92 PolarHBondContact O-N 2.88Å |
| 93 | Y | 37 | Very low | 33.4 | Very low | 118 Ų | 118 | 119.9 Ų | 119.9 | 46% | 0.463 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.6 | -7 | -168.9 | -64.3 | -76.1 | 0 | 0 | 0 | 114.9 | T89 F90 A91 Y96 F97 | T89-Y93 HydrophobicContact CG2-CE2 4.32Å; T89-Y93 VanDerWaalsContact O-CD2 3.24Å; T89-Y93 WeakPolarHBondContact O-CD2 3.4Å; F90-Y93 PolarHBondContact O-N 2.81Å; A91-Y93 VanDerWaalsContact C-N 3.3Å; A91-Y93 PolarHBondContact O-N 3.29Å; Y93-Y96 PolarHBondContact O-N 3.33Å; Y93-F97 PolarHBondContact O-N 3.29Å |
| 94 | M | 33.9 | Very low | 33.9 | Very low | 117 Ų | 117 | 124 Ų | 124 | 58% | 0.576 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -60.6 | -30.8 | -176.1 | -138.5 | -177 | 177.6 | 0 | 0 | 115.6 | Y96 | M94-Y96 VanDerWaalsContact C-N 3.3Å; M94-Y96 PolarHBondContact O-N 3.48Å |
| 95 | P | 40 | Very low | 34 | Very low | 90 Ų | 90 | 121.7 Ų | 121.7 | 58% | 0.584 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73.8 | -14.5 | 177.3 | -15.3 | 29.4 | 0 | 0 | 0 | 115 | S99 | P95-S99 PolarHBondContact O-OG 2.97Å; P95-S99 VanDerWaalsContact O-OG 3.11Å |
| 96 | Y | 32.6 | Very low | 34 | Very low | 151 Ų | 151 | 117.1 Ų | 117.1 | 59% | 0.592 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -102.5 | -25.7 | -179.2 | -70.5 | -80.2 | 0 | 0 | 0 | 112.8 | Y93 M94 R323 | Y93-Y96 PolarHBondContact O-N 3.33Å; M94-Y96 VanDerWaalsContact C-N 3.3Å; M94-Y96 PolarHBondContact O-N 3.48Å; Y96-R323 PolarHBondContact OH-NH2 3.14Å |
| 97 | F | 32.5 | Very low | 34.1 | Very low | 142 Ų | 142 | 116.9 Ų | 116.9 | 62% | 0.623 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.9 | -33 | 177.2 | -108.5 | -89.3 | 0 | 0 | 0 | 113 | Y93 S99 S100 L101 | Y93-F97 PolarHBondContact O-N 3.29Å; F97-S99 VanDerWaalsContact C-N 3.3Å; F97-S99 PolarHBondContact O-N 3.25Å; F97-S100 PolarHBondContact O-N 3.42Å; F97-L101 WeakPolarHBondContact O-CD1 3.31Å |
| 98 | L | 35.1 | Very low | 34.1 | Very low | 118 Ų | 118 | 118.5 Ų | 118.5 | 62% | 0.618 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -17.2 | 179 | -72.3 | 166.8 | 0 | 0 | 0 | 113.2 | ||
| 99 | S | 34.9 | Very low | 33.7 | Very low | 82 Ų | 82 | 119.1 Ų | 119.1 | 57% | 0.573 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -14.2 | 174.8 | -35.4 | 0 | 0 | 0 | 0 | 113.3 | P95 F97 | P95-S99 PolarHBondContact O-OG 2.97Å; P95-S99 VanDerWaalsContact O-OG 3.11Å; F97-S99 VanDerWaalsContact C-N 3.3Å; F97-S99 PolarHBondContact O-N 3.25Å |
| 100 | S | 34.3 | Very low | 33.3 | Very low | 96 Ų | 96 | 121.6 Ų | 121.6 | 67% | 0.671 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -99.8 | -3.9 | -178.2 | 177.6 | 0 | 0 | 0 | 0 | 113.1 | F97 | F97-S100 PolarHBondContact O-N 3.42Š|
| 101 | L | 32.7 | Very low | 33.1 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 71% | 0.707 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -112 | 6 | -173.9 | -78.7 | 163.5 | 0 | 0 | 0 | 113.2 | F97 | F97-L101 WeakPolarHBondContact O-CD1 3.31Š|
| 102 | S | 32.8 | Very low | 32.6 | Very low | 87 Ų | 87 | 124.6 Ų | 124.6 | 61% | 0.608 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -96.4 | -2.4 | -178.3 | 59 | 0 | 0 | 0 | 0 | 115.3 | ||
| 103 | D | 30.5 | Very low | 32.1 | Very low | 134 Ų | 134 | 121 Ų | 121 | 72% | 0.717 | 69% | 0.694 | S | S | * | * | trans | -115.1 | 86.4 | -178.8 | -69.7 | -25.9 | 0 | 0 | 0 | 110.3 | ||||
| 104 | H | 34.3 | Very low | 31.6 | Very low | 187 Ų | 187 | 123.2 Ų | 123.2 | 87% | 0.866 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -179.7 | 106.7 | 139.5 | -95.9 | -64.6 | 0 | 0 | 0 | 113.1 | ||
| 105 | S | 31.5 | Very low | 31.2 | Very low | 105 Ų | 105 | 122.2 Ų | 122.2 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | trans | 68.2 | 100.2 | 139.7 | 62.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 106 | S | 26.9 | Very low | 30.7 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | trans | -92.9 | 109.2 | 140.4 | 53.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 107 | S | 33.2 | Very low | 30.5 | Very low | 102 Ų | 102 | 122.5 Ų | 122.5 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | trans | -174.8 | 94.4 | 156 | 47.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 108 | S | 29.2 | Very low | 30.2 | Very low | 101 Ų | 101 | 122.8 Ų | 122.8 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | 34.6 | 119.3 | 131.6 | 65.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 109 | T | 28 | Very low | 30 | Very low | 123 Ų | 123 | 125.1 Ų | 125.1 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | 74.7 | 130.7 | 131.8 | 38.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 110 | T | 29.4 | Very low | 29.6 | Very low | 135 Ų | 135 | 126 Ų | 126 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | trans | 81.2 | 106.7 | 153.2 | 50.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 111 | M | 29.5 | Very low | 29.2 | Very low | 187 Ų | 187 | 128.5 Ų | 128.5 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | -63.2 | 129.1 | 160.7 | -66.6 | -179.9 | 88.7 | 0 | 0 | 110.4 | ||||
| 112 | S | 27.3 | Very low | 29.1 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -164.6 | 125.6 | 136.5 | -7.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 113 | S | 27.7 | Very low | 28.8 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 4.9 | 128.4 | 149.5 | 54.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 114 | I | 27.1 | Very low | 28.7 | Very low | 163 Ų | 163 | 126 Ų | 126 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -160.2 | 120.4 | 135.4 | -92.4 | 138.4 | 0 | 0 | 0 | 110.2 | ||||
| 115 | S | 26.7 | Very low | 28.5 | Very low | 96 Ų | 96 | 122 Ų | 122 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | trans | -1.2 | 131.8 | 161.2 | 51.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 116 | V | 28.5 | Very low | 28.3 | Very low | 151 Ų | 151 | 123 Ų | 123 | 92% | 0.915 | 77% | 0.773 | S | S | * | * | trans | -68.6 | 118.5 | 156.4 | 177.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 117 | S | 28 | Very low | 28.6 | Very low | 97 Ų | 97 | 128.2 Ų | 128.2 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | -146.4 | 113.3 | 161.6 | 60.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 118 | N | 26.3 | Very low | 28.6 | Very low | 148 Ų | 148 | 130.6 Ų | 130.6 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 35.2 | 108.2 | 150.1 | -63.2 | -15.8 | 0 | 0 | 0 | 118.7 | ||||
| 119 | L | 30.5 | Very low | 29 | Very low | 167 Ų | 167 | 131.2 Ų | 131.2 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -131.8 | 78 | 148.2 | -150.4 | 78.9 | 0 | 0 | 0 | 109.8 | D121 | L119-D121 PolarHBondContact O-N 3.49Š| ||
| 120 | S | 26.5 | Very low | 29.7 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | trans | -74.3 | 99.8 | 149 | 49.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 121 | D | 26.4 | Very low | 29.8 | Very low | 148 Ų | 148 | 126.6 Ų | 126.6 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | 177.5 | 150.7 | 152.6 | -90.9 | -26.1 | 0 | 0 | 0 | 110.6 | L119 | L119-D121 PolarHBondContact O-N 3.49Š| ||
| 122 | A | 30 | Very low | 30.4 | Very low | 96 Ų | 96 | 123.1 Ų | 123.1 | 79% | 0.793 | 74% | 0.741 | S | S | * | * | trans | 88.2 | 87.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 123 | S | 27.3 | Very low | 30.9 | Very low | 104 Ų | 104 | 121.7 Ų | 121.7 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | 77.5 | 100.5 | 84.6 | -173.4 | 0 | 0 | 0 | 0 | 113.3 | S125 | S123-S125 PolarHBondContact O-N 2.93Š| |||
| 124 | S | 27.6 | Very low | 31.6 | Very low | 103 Ų | 103 | 123.9 Ų | 123.9 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | trans | 36.7 | 85.1 | 138.1 | 65.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 125 | S | 30.1 | Very low | 32.1 | Very low | 104 Ų | 104 | 122.6 Ų | 122.6 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | -105.9 | 79.9 | 152.8 | 55.5 | 0 | 0 | 0 | 0 | 109.1 | S123 R127 | S123-S125 PolarHBondContact O-N 2.93Å; S125-R127 VanDerWaalsContact C-N 3.29Å; S125-R127 PolarHBondContact O-N 3.34Å | ||
| 126 | V | 28.9 | Very low | 32.3 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | trans | -59.7 | 98.9 | 159.1 | 175 | 0 | 0 | 0 | 0 | 105.9 | L128 | V126-L128 PolarHBondContact O-N 3.48Å; V126-L128 VanDerWaalsContact O-N 3.16Å | ||
| 127 | R | 32 | Very low | 32.8 | Very low | 229 Ų | 229 | 120.6 Ų | 120.6 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | trans | -68.5 | 112.6 | 169.3 | -72 | -174.8 | -171.5 | 170.5 | 2.9 | 106.6 | S125 | S125-R127 VanDerWaalsContact C-N 3.29Å; S125-R127 PolarHBondContact O-N 3.34Å | ||
| 128 | L | 33.8 | Very low | 33.4 | Very low | 152 Ų | 152 | 119.4 Ų | 119.4 | 80% | 0.796 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 141.1 | 177.8 | -78.2 | 147.8 | 0 | 0 | 0 | 110.7 | V126 L130 | V126-L128 PolarHBondContact O-N 3.48Å; V126-L128 VanDerWaalsContact O-N 3.16Å; L128-L130 PolarHBondContact O-N 2.86Å |
| 129 | P | 36.8 | Very low | 34 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 74% | 0.74 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 140.5 | 172.9 | 24.6 | -32.4 | 0 | 0 | 0 | 109.4 | S131 | P129-S131 PolarHBondContact O-N 2.96Š|
| 130 | L | 42.8 | Very low | 34.9 | Very low | 101 Ų | 101 | 115.4 Ų | 115.4 | 53% | 0.529 | 67% | 0.673 | S | S | . | * | P | Polyproline II helix | trans | -50.4 | 128.2 | -179.8 | -81 | 91.2 | 0 | 0 | 0 | 110.1 | L128 Q134 | L128-L130 PolarHBondContact O-N 2.86Å; L130-Q134 HydrophobicContact CB-CB 4.48Å; L130-Q134 HydrophobicContact CD2-CB 3.95Å |
| 131 | S | 32.8 | Very low | 36.5 | Very low | 61 Ų | 61 | 113.2 Ų | 113.2 | 43% | 0.427 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -51.3 | 140.1 | 172.8 | 168.2 | 0 | 0 | 0 | 0 | 110.1 | P129 S133 Q134 | P129-S131 PolarHBondContact O-N 2.96Å; S131-S133 PolarHBondContact O-N 3.35Å; S131-S133 PolarHBondContact OG-N 3.45Å; S131-S133 PolarHBondContact OG-OG 3.05Å; S131-Q134 PolarHBondContact O-N 3.06Å |
| 132 | P | 40.4 | Very low | 38.4 | Very low | 113 Ų | 113 | 108.5 Ų | 108.5 | 73% | 0.734 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -50.7 | -21.3 | 173.9 | -26 | 33.1 | 0 | 0 | 0 | 114.4 | Q134 L135 S136 | P132-Q134 VanDerWaalsContact C-N 3.31Å; P132-Q134 PolarHBondContact O-N 3.3Å; P132-L135 PolarHBondContact O-N 3.04Å; P132-S136 PolarHBondContact O-N 2.9Å |
| 133 | S | 39.8 | Very low | 40.4 | Very low | 78 Ų | 78 | 104.9 Ų | 104.9 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | G | 310 helix | trans | -73.1 | -14.7 | 175.1 | 64.4 | 0 | 0 | 0 | 0 | 114.9 | S131 S136 | S131-S133 PolarHBondContact O-N 3.35Å; S131-S133 PolarHBondContact OG-N 3.45Å; S131-S133 PolarHBondContact OG-OG 3.05Å; S133-S136 PolarHBondContact O-OG 3.12Å |
| 134 | Q | 41.6 | Very low | 43.1 | Very low | 149 Ų | 149 | 103 Ų | 103 | 70% | 0.696 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -90.3 | -12.3 | 171.5 | -67.6 | -88.7 | -48.6 | 0 | 0 | 111.6 | L130 S131 P132 | L130-Q134 HydrophobicContact CB-CB 4.48Å; L130-Q134 HydrophobicContact CD2-CB 3.95Å; S131-Q134 PolarHBondContact O-N 3.06Å; P132-Q134 VanDerWaalsContact C-N 3.31Å; P132-Q134 PolarHBondContact O-N 3.3Å |
| 135 | L | 37.4 | Very low | 45.9 | Very low | 137 Ų | 137 | 104 Ų | 104 | 72% | 0.717 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -102.4 | 2.4 | 176.5 | -139.5 | 81.2 | 0 | 0 | 0 | 112.6 | P132 L137 | P132-L135 PolarHBondContact O-N 3.04Å; L135-L137 PolarHBondContact O-N 3.24Å |
| 136 | S | 31.9 | Very low | 48.8 | Very low | 79 Ų | 79 | 99 Ų | 99 | 55% | 0.552 | 55% | 0.553 | S | S | * | * | trans | -70.5 | 118.3 | 177.9 | 52.3 | 0 | 0 | 0 | 0 | 110.3 | P132 S133 | P132-S136 PolarHBondContact O-N 2.9Å; S133-S136 PolarHBondContact O-OG 3.12Å | ||
| 137 | L | 38.1 | Very low | 51.8 | Low | 126 Ų | 126 | 97.9 Ų | 97.9 | 66% | 0.66 | 54% | 0.535 | S | S | * | . | trans | -43.4 | 125 | 170.3 | -76.3 | 145.1 | 0 | 0 | 0 | 110.3 | L135 E139 | L135-L137 PolarHBondContact O-N 3.24Å; L137-E139 PolarHBondContact O-N 2.94Å | ||
| 138 | P | 40.6 | Very low | 54.8 | Low | 71 Ų | 71 | 89.4 Ų | 89.4 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 130.7 | 176.5 | -19.9 | 27.2 | 0 | 0 | 0 | 109.3 | K331 | P138-K331 HydrophobicContact CG-CD 4.42Å; P138-K331 PolarHBondContact O-NZ 2.98Å |
| 139 | E | 38.4 | Very low | 57.6 | Low | 176 Ų | 176 | 82.1 Ų | 82.1 | 82% | 0.822 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 144 | 175.9 | -65.1 | 174 | 162.5 | 0 | 0 | 109.3 | L137 | L137-E139 PolarHBondContact O-N 2.94Š|
| 140 | P | 49.8 | Very low | 60.4 | Low | 55 Ų | 55 | 76.8 Ų | 76.8 | 36% | 0.357 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 140.6 | 168.2 | 23.9 | -32 | 0 | 0 | 0 | 108.2 | D142 D267 | P140-D142 PolarHBondContact O-N 3.35Å; P140-D267 HydrophobicContact CB-CB 4.29Å |
| 141 | P | 59.7 | Low | 62.9 | Low | 55 Ų | 55 | 76.7 Ų | 76.7 | 36% | 0.357 | 44% | 0.435 | S | S | . | . | trans | -78.1 | 51.4 | -172.5 | 32.5 | -31.3 | 0 | 0 | 0 | 111.1 | G143 Y265 V325 | P141-G143 PolarHBondContact O-N 3.28Å; P141-G143 VanDerWaalsContact O-O 3.1Å; P141-Y265 CarbonylContact C-O 3.33Å; P141-Y265 HydrophobicContact CG-CD1 4.27Å; P141-Y265 WeakPolarHBondContact CG-O 3.35Å; P141-Y265 VanDerWaalsContact O-O 3.09Å; P141-V325 HydrophobicContact CG-CG1 4.49Å | ||
| 142 | D | 66 | Low | 65.9 | Low | 49 Ų | 49 | 73.9 Ų | 73.9 | 26% | 0.262 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -62.3 | 86.9 | 162 | -73.7 | -36.4 | 0 | 0 | 0 | 107.3 | P140 F266 D267 N268 | P140-D142 PolarHBondContact O-N 3.35Å; D142-F266 WeakPolarHBondContact OD1-CA 3.44Å; D142-D267 PolarHBondContact OD1-N 3.14Å; D142-N268 PolarHBondContact OD1-N 3.29Å; D142-N268 VanDerWaalsContact OD2-CB 3.27Å; D142-N268 WeakPolarHBondContact OD2-CB 3.46Å; D142-N268 PolarHBondContact OD2-N 3.45Å; D142-N268 VanDerWaalsContact OD2-N 3.12Å; D142-N268 PolarHBondContact OD2-ND2 3.17Å |
| 143 | G | 71.9 | Confident | 68.6 | Low | 19 Ų | 19 | 68.5 Ų | 68.5 | 20% | 0.196 | 38% | 0.38 | C | S | . | . | S | Bend | trans | 121.9 | -174.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | P141 W145 G146 | P141-G143 PolarHBondContact O-N 3.28Å; P141-G143 VanDerWaalsContact O-O 3.1Å; G143-W145 PolarHBondContact O-N 3.34Å; G143-G146 PolarHBondContact O-N 3.38Å |
| 144 | G | 84.1 | Confident | 71.3 | Confident | 64 Ų | 64 | 66.7 Ų | 66.7 | 66% | 0.66 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | -127.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | G146 W147 | G144-G146 PolarHBondContact O-N 2.96Å; G144-W147 PolarHBondContact O-N 3.44Å |
| 145 | W | 88.1 | Confident | 73.9 | Confident | 125 Ų | 125 | 63.9 Ų | 63.9 | 47% | 0.473 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64 | -19.5 | -178.2 | -162.6 | -96 | 0 | 0 | 0 | 113.3 | G143 W147 V148 V149 Y265 L321 | G143-W145 PolarHBondContact O-N 3.34Å; W145-W147 PolarHBondContact O-N 3.02Å; W145-V148 HydrophobicContact CD2-CB 4.17Å; W145-V148 HydrophobicContact CD2-CG1 4.42Å; W145-V148 HydrophobicContact CD2-CG2 4.32Å; W145-V148 HydrophobicContact CE3-CB 4.41Å; W145-V148 HydrophobicContact CE3-CG2 4.09Å; W145-V148 HydrophobicContact CG-CB 4.49Å; W145-V148 HydrophobicContact CH2-CG1 4.21Å; W145-V148 HydrophobicContact CZ2-CG1 3.99Å; W145-V148 HydrophobicContact CZ3-CG2 4.38Å; W145-V148 WeakPolarHBondContact O-CB 3.49Å; W145-V148 PolarHBondContact O-N 3.44Å; W145-V149 PolarHBondContact O-N 2.74Å; W145-Y265 HydrophobicContact CB-CE1 4.36Å; W145-L321 HydrophobicContact CZ2-CD2 4.37Å; W145-L321 PolarHBondContact NE1-O 2.92Å; W145-L321 VanDerWaalsContact NE1-O 3.09Å |
| 146 | G | 89.2 | Confident | 76.7 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.8 | -38.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | G143 G144 V149 V150 F266 | G143-G146 PolarHBondContact O-N 3.38Å; G144-G146 PolarHBondContact O-N 2.96Å; G146-V149 WeakPolarHBondContact O-CB 3.3Å; G146-V149 PolarHBondContact O-N 3.19Å; G146-V150 WeakPolarHBondContact O-CG2 3.4Å; G146-V150 PolarHBondContact O-N 3.09Å; G146-F266 WeakPolarHBondContact O-CE2 3.27Å |
| 147 | W | 93.1 | Very high | 79.7 | Confident | 102 Ų | 102 | 53.8 Ų | 53.8 | 39% | 0.386 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.3 | -32 | 176.4 | -68.7 | 109 | 0 | 0 | 0 | 113.2 | G144 W145 V149 V150 I151 F266 L276 | G144-W147 PolarHBondContact O-N 3.44Å; W145-W147 PolarHBondContact O-N 3.02Å; W147-V149 VanDerWaalsContact C-N 3.29Å; W147-V150 PolarHBondContact O-N 3.48Å; W147-I151 WeakPolarHBondContact O-CG1 3.34Å; W147-I151 PolarHBondContact O-N 2.84Å; W147-F266 HydrophobicContact CD2-CZ 4.08Å; W147-F266 HydrophobicContact CE3-CZ 4.46Å; W147-F266 HydrophobicContact CG-CZ 4.33Å; W147-F266 HydrophobicContact CZ2-CE1 4.24Å; W147-L276 HydrophobicContact CE3-CD2 4.42Å; W147-L276 HydrophobicContact CZ3-CD2 3.88Å |
| 148 | V | 93.6 | Very high | 82.4 | Confident | 51 Ų | 51 | 49 Ų | 49 | 31% | 0.309 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 172.5 | -179.5 | 0 | 0 | 0 | 0 | 110 | W145 I151 A152 | W145-V148 HydrophobicContact CD2-CB 4.17Å; W145-V148 HydrophobicContact CD2-CG1 4.42Å; W145-V148 HydrophobicContact CD2-CG2 4.32Å; W145-V148 HydrophobicContact CE3-CB 4.41Å; W145-V148 HydrophobicContact CE3-CG2 4.09Å; W145-V148 HydrophobicContact CG-CB 4.49Å; W145-V148 HydrophobicContact CH2-CG1 4.21Å; W145-V148 HydrophobicContact CZ2-CG1 3.99Å; W145-V148 HydrophobicContact CZ3-CG2 4.38Å; W145-V148 WeakPolarHBondContact O-CB 3.49Å; W145-V148 PolarHBondContact O-N 3.44Å; V148-I151 PolarHBondContact O-N 3.25Å; V148-A152 PolarHBondContact O-N 3.02Å |
| 149 | V | 93.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.6 | -43.6 | 174.7 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | W145 G146 W147 I151 A152 T153 V261 Y265 | W145-V149 PolarHBondContact O-N 2.74Å; G146-V149 WeakPolarHBondContact O-CB 3.3Å; G146-V149 PolarHBondContact O-N 3.19Å; W147-V149 VanDerWaalsContact C-N 3.29Å; V149-I151 VanDerWaalsContact C-N 3.3Å; V149-I151 PolarHBondContact O-N 3.32Å; V149-A152 PolarHBondContact O-N 3.49Å; V149-A152 VanDerWaalsContact O-N 3.12Å; V149-T153 HydrophobicContact CG1-CG2 4.1Å; V149-T153 VanDerWaalsContact O-CG2 3.28Å; V149-T153 WeakPolarHBondContact O-CG2 3.48Å; V149-T153 PolarHBondContact O-N 3.15Å; V149-T153 PolarHBondContact O-OG1 2.77Å; V149-T153 VanDerWaalsContact O-OG1 3.07Å; V149-V261 HydrophobicContact CG1-CB 4.38Å; V149-V261 HydrophobicContact CG1-CG1 3.61Å; V149-V261 HydrophobicContact CG1-CG2 3.92Å; V149-Y265 HydrophobicContact CB-CD2 4.29Å; V149-Y265 HydrophobicContact CB-CE2 4.26Å; V149-Y265 HydrophobicContact CG1-CD2 4.09Å; V149-Y265 HydrophobicContact CG1-CE2 4.2Å; V149-Y265 HydrophobicContact CG2-CD2 4.13Å; V149-Y265 HydrophobicContact CG2-CE1 4.32Å; V149-Y265 HydrophobicContact CG2-CE2 3.62Å |
| 150 | V | 95.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.1 | -40.1 | 176 | 172.4 | 0 | 0 | 0 | 0 | 111.9 | G146 W147 T153 F154 V262 F266 A273 L276 | G146-V150 WeakPolarHBondContact O-CG2 3.4Å; G146-V150 PolarHBondContact O-N 3.09Å; W147-V150 PolarHBondContact O-N 3.48Å; V150-T153 WeakPolarHBondContact CA-OG1 3.48Å; V150-T153 PolarHBondContact O-OG1 2.98Å; V150-F154 VanDerWaalsContact O-CB 3.25Å; V150-F154 WeakPolarHBondContact O-CB 3.41Å; V150-F154 PolarHBondContact O-N 3.34Å; V150-V262 HydrophobicContact CG2-CG1 4.31Å; V150-V262 HydrophobicContact CG2-CG2 4.44Å; V150-F266 HydrophobicContact CG2-CD2 4.37Å; V150-F266 HydrophobicContact CG2-CE2 3.55Å; V150-F266 HydrophobicContact CG2-CZ 4.16Å; V150-A273 HydrophobicContact CG2-CB 3.94Å; V150-L276 HydrophobicContact CG1-CB 4.08Å; V150-L276 HydrophobicContact CG1-CD2 3.86Å; V150-L276 HydrophobicContact CG1-CG 3.95Å |
| 151 | I | 95.9 | Very high | 89.7 | Confident | 100 Ų | 100 | 36.3 Ų | 36.3 | 51% | 0.513 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.3 | -43.4 | 175.2 | -66.4 | 165.8 | 0 | 0 | 0 | 110.8 | W147 V148 V149 T153 F154 F155 | W147-I151 WeakPolarHBondContact O-CG1 3.34Å; W147-I151 PolarHBondContact O-N 2.84Å; V148-I151 PolarHBondContact O-N 3.25Å; V149-I151 VanDerWaalsContact C-N 3.3Å; V149-I151 PolarHBondContact O-N 3.32Å; I151-T153 VanDerWaalsContact C-N 3.35Å; I151-T153 PolarHBondContact O-N 3.16Å; I151-F154 WeakPolarHBondContact O-CB 3.4Å; I151-F154 PolarHBondContact O-N 2.7Å; I151-F155 HydrophobicContact CG2-CD2 3.99Å; I151-F155 HydrophobicContact CG2-CE2 3.75Å; I151-F155 WeakPolarHBondContact O-CD2 3.13Å; I151-F155 PolarHBondContact O-N 3.08Å; I151-F155 VanDerWaalsContact O-N 3.15Å |
| 152 | A | 96.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | V148 V149 F155 V156 C318 L321 | V148-A152 PolarHBondContact O-N 3.02Å; V149-A152 PolarHBondContact O-N 3.49Å; V149-A152 VanDerWaalsContact O-N 3.12Å; A152-F155 PolarHBondContact O-N 3.1Å; A152-V156 WeakPolarHBondContact O-CG2 3.42Å; A152-V156 PolarHBondContact O-N 2.79Å; A152-V156 VanDerWaalsContact O-N 3.1Å; A152-C318 HydrophobicContact CB-CB 4.4Å; A152-L321 HydrophobicContact CB-CB 4.06Å; A152-L321 HydrophobicContact CB-CD1 3.96Å |
| 153 | T | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -72.6 | -33.3 | 179.2 | 57.2 | 0 | 0 | 0 | 0 | 111.8 | V149 V150 I151 F155 V156 H157 A258 V261 V262 S277 M322 | V149-T153 HydrophobicContact CG1-CG2 4.1Å; V149-T153 VanDerWaalsContact O-CG2 3.28Å; V149-T153 WeakPolarHBondContact O-CG2 3.48Å; V149-T153 PolarHBondContact O-N 3.15Å; V149-T153 PolarHBondContact O-OG1 2.77Å; V149-T153 VanDerWaalsContact O-OG1 3.07Å; V150-T153 WeakPolarHBondContact CA-OG1 3.48Å; V150-T153 PolarHBondContact O-OG1 2.98Å; I151-T153 VanDerWaalsContact C-N 3.35Å; I151-T153 PolarHBondContact O-N 3.16Å; T153-F155 PolarHBondContact O-N 2.66Å; T153-V156 WeakPolarHBondContact O-CB 3.15Å; T153-V156 PolarHBondContact O-N 2.81Å; T153-V156 VanDerWaalsContact O-N 3.17Å; T153-H157 PolarHBondContact O-CD2 3.46Å; T153-H157 VanDerWaalsContact O-CD2 3.24Å; T153-H157 PolarHBondContact O-N 2.83Å; T153-A258 HydrophobicContact CG2-CB 3.79Å; T153-V261 HydrophobicContact CG2-CG1 3.71Å; T153-V262 HydrophobicContact CG2-CG2 3.88Å; T153-V262 WeakPolarHBondContact OG1-CG2 3.35Å; T153-S277 WeakPolarHBondContact CB-OG 3.42Å; T153-S277 WeakPolarHBondContact OG1-CB 3.12Å; T153-S277 PolarHBondContact OG1-OG 3.4Å; T153-M322 HydrophobicContact CG2-CE 3.68Å |
| 154 | F | 96.7 | Very high | 93.1 | Very high | 41 Ų | 41 | 31 Ų | 31 | 18% | 0.18 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55 | -48.8 | 168.6 | 175.1 | -85.6 | 0 | 0 | 0 | 111.9 | V150 I151 V156 H157 M158 L276 S277 A279 G280 V283 | V150-F154 VanDerWaalsContact O-CB 3.25Å; V150-F154 WeakPolarHBondContact O-CB 3.41Å; V150-F154 PolarHBondContact O-N 3.34Å; I151-F154 WeakPolarHBondContact O-CB 3.4Å; I151-F154 PolarHBondContact O-N 2.7Å; F154-V156 VanDerWaalsContact C-N 3.33Å; F154-V156 PolarHBondContact O-N 3.2Å; F154-H157 PolarHBondContact O-N 3.39Å; F154-M158 HydrophobicContact CE1-SD 4.26Å; F154-M158 VanDerWaalsContact O-CB 3.27Å; F154-M158 WeakPolarHBondContact O-CB 3.03Å; F154-M158 PolarHBondContact O-N 3.32Å; F154-L276 VanDerWaalsContact CD2-O 3.29Å; F154-L276 WeakPolarHBondContact CD2-O 3.47Å; F154-S277 WeakPolarHBondContact CA-O 3.35Å; F154-A279 HydrophobicContact CD2-CB 4.49Å; F154-A279 HydrophobicContact CE2-CB 4.19Å; F154-G280 VanDerWaalsContact CD2-CA 3.46Å; F154-V283 HydrophobicContact CE2-CG2 4.4Å; F154-V283 HydrophobicContact CZ-CB 4.12Å; F154-V283 HydrophobicContact CZ-CG1 4.4Å; F154-V283 HydrophobicContact CZ-CG2 3.9Å |
| 155 | F | 96.6 | Very high | 93.1 | Very high | 89 Ų | 89 | 30.8 Ų | 30.8 | 39% | 0.39 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -66.3 | -33.7 | 176.5 | -77.9 | -68.8 | 0 | 0 | 0 | 112.8 | I151 A152 T153 M158 I159 | I151-F155 HydrophobicContact CG2-CD2 3.99Å; I151-F155 HydrophobicContact CG2-CE2 3.75Å; I151-F155 WeakPolarHBondContact O-CD2 3.13Å; I151-F155 PolarHBondContact O-N 3.08Å; I151-F155 VanDerWaalsContact O-N 3.15Å; A152-F155 PolarHBondContact O-N 3.1Å; T153-F155 PolarHBondContact O-N 2.66Å; F155-M158 HydrophobicContact CD1-CE 3.56Å; F155-M158 HydrophobicContact CD1-SD 4.12Å; F155-M158 HydrophobicContact CE1-CE 3.96Å; F155-M158 HydrophobicContact CE1-SD 4.27Å; F155-I159 WeakPolarHBondContact O-CB 3.36Å; F155-I159 WeakPolarHBondContact O-CD1 3.33Å; F155-I159 VanDerWaalsContact O-CG1 3.23Å; F155-I159 WeakPolarHBondContact O-CG1 2.97Å; F155-I159 PolarHBondContact O-N 2.93Å |
| 156 | V | 96.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.7 | -49.8 | 173.3 | 168.5 | 0 | 0 | 0 | 0 | 111 | A152 T153 F154 I159 T160 C254 A258 M315 C318 M322 | A152-V156 WeakPolarHBondContact O-CG2 3.42Å; A152-V156 PolarHBondContact O-N 2.79Å; A152-V156 VanDerWaalsContact O-N 3.1Å; T153-V156 WeakPolarHBondContact O-CB 3.15Å; T153-V156 PolarHBondContact O-N 2.81Å; T153-V156 VanDerWaalsContact O-N 3.17Å; F154-V156 VanDerWaalsContact C-N 3.33Å; F154-V156 PolarHBondContact O-N 3.2Å; V156-I159 PolarHBondContact O-N 3.12Å; V156-T160 HydrophobicContact CG1-CG2 4.44Å; V156-T160 WeakPolarHBondContact O-CB 3.22Å; V156-T160 WeakPolarHBondContact O-CG2 2.99Å; V156-T160 PolarHBondContact O-N 3.07Å; V156-T160 PolarHBondContact O-OG1 3.35Å; V156-C254 HydrophobicContact CG1-CB 3.89Å; V156-A258 HydrophobicContact CB-CB 4.48Å; V156-A258 HydrophobicContact CG1-CB 4.09Å; V156-M315 HydrophobicContact CG1-CE 4.24Å; V156-C318 HydrophobicContact CG2-CB 3.57Å; V156-M322 HydrophobicContact CG2-CE 4.14Å |
| 157 | H | 95.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.019 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.1 | -41.9 | 177.2 | -78.5 | -69.1 | 0 | 0 | 0 | 112.1 | T153 F154 I159 T160 D161 T281 | T153-H157 PolarHBondContact O-CD2 3.46Å; T153-H157 VanDerWaalsContact O-CD2 3.24Å; T153-H157 PolarHBondContact O-N 2.83Å; F154-H157 PolarHBondContact O-N 3.39Å; H157-I159 PolarHBondContact O-N 3.31Å; H157-T160 PolarHBondContact O-OG1 3.32Å; H157-D161 IonicContact ND1-OD2 3.06Å; H157-D161 WeakPolarHBondContact O-CB 3.44Å; H157-D161 PolarHBondContact O-N 3.33Å; H157-T281 HydrophobicContact CB-CG2 3.95Å |
| 158 | M | 95.1 | Very high | 92.3 | Very high | 26 Ų | 26 | 22.5 Ų | 22.5 | 13% | 0.128 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.9 | -43.9 | 176.8 | -171.8 | -166.9 | 78.8 | 0 | 0 | 112.7 | F154 F155 G162 G280 V283 G284 F288 | F154-M158 HydrophobicContact CE1-SD 4.26Å; F154-M158 VanDerWaalsContact O-CB 3.27Å; F154-M158 WeakPolarHBondContact O-CB 3.03Å; F154-M158 PolarHBondContact O-N 3.32Å; F155-M158 HydrophobicContact CD1-CE 3.56Å; F155-M158 HydrophobicContact CD1-SD 4.12Å; F155-M158 HydrophobicContact CE1-CE 3.96Å; F155-M158 HydrophobicContact CE1-SD 4.27Å; M158-G162 VanDerWaalsContact O-CA 3.25Å; M158-G162 WeakPolarHBondContact O-CA 3.37Å; M158-G162 PolarHBondContact O-N 3.35Å; M158-G162 VanDerWaalsContact O-N 3.14Å; M158-G280 WeakPolarHBondContact CA-O 3.46Å; M158-G280 WeakPolarHBondContact CB-O 3.32Å; M158-G280 WeakPolarHBondContact CG-O 3.25Å; M158-V283 HydrophobicContact CG-CG1 4.4Å; M158-V283 HydrophobicContact SD-CG1 4.1Å; M158-G284 WeakPolarHBondContact O-CA 3.43Å; M158-F288 HydrophobicContact CE-CE2 4.28Å; M158-F288 HydrophobicContact CG-CE2 4.35Å; M158-F288 WeakPolarHBondContact O-CE2 3.43Å |
| 159 | I | 95.4 | Very high | 91.9 | Very high | 8 Ų | 8 | 22.3 Ų | 22.3 | 4% | 0.041 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -75.3 | -48.7 | 180 | -65.6 | 164.9 | 0 | 0 | 0 | 110.8 | F155 V156 H157 V163 F288 F311 F312 M315 | F155-I159 WeakPolarHBondContact O-CB 3.36Å; F155-I159 WeakPolarHBondContact O-CD1 3.33Å; F155-I159 VanDerWaalsContact O-CG1 3.23Å; F155-I159 WeakPolarHBondContact O-CG1 2.97Å; F155-I159 PolarHBondContact O-N 2.93Å; V156-I159 PolarHBondContact O-N 3.12Å; H157-I159 PolarHBondContact O-N 3.31Å; I159-V163 HydrophobicContact CG2-CG2 4.5Å; I159-V163 VanDerWaalsContact O-CB 3.26Å; I159-V163 WeakPolarHBondContact O-CB 2.96Å; I159-V163 WeakPolarHBondContact O-CG2 3.39Å; I159-V163 PolarHBondContact O-N 3.47Å; I159-V163 VanDerWaalsContact O-N 3.08Å; I159-F288 HydrophobicContact CB-CZ 4.47Å; I159-F288 HydrophobicContact CG1-CZ 4.14Å; I159-F311 HydrophobicContact CG2-CB 4.12Å; I159-F312 HydrophobicContact CG2-CD1 4.23Å; I159-M315 HydrophobicContact CB-CG 4.26Å; I159-M315 HydrophobicContact CB-SD 4.24Å; I159-M315 HydrophobicContact CD1-CG 4.09Å; I159-M315 HydrophobicContact CG2-CG 4.05Å; I159-M315 HydrophobicContact CG2-SD 3.77Å |
| 160 | T | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.3 | -62.3 | -176.2 | 47 | 0 | 0 | 0 | 0 | 111.6 | V156 H157 V163 I164 A251 C254 I255 M315 | V156-T160 HydrophobicContact CG1-CG2 4.44Å; V156-T160 WeakPolarHBondContact O-CB 3.22Å; V156-T160 WeakPolarHBondContact O-CG2 2.99Å; V156-T160 PolarHBondContact O-N 3.07Å; V156-T160 PolarHBondContact O-OG1 3.35Å; H157-T160 PolarHBondContact O-OG1 3.32Å; T160-V163 PolarHBondContact O-N 2.84Å; T160-I164 WeakPolarHBondContact O-CD1 3.47Å; T160-I164 WeakPolarHBondContact O-CG1 3.32Å; T160-I164 PolarHBondContact O-N 2.97Å; T160-I164 VanDerWaalsContact O-N 3.11Å; T160-A251 HydrophobicContact CG2-CB 4.25Å; T160-C254 HydrophobicContact CG2-CB 4.44Å; T160-I255 HydrophobicContact CG2-CG1 4.36Å; T160-M315 HydrophobicContact CG2-CE 3.34Å; T160-M315 HydrophobicContact CG2-SD 3.55Å; T160-M315 VanDerWaalsContact CG2-SD 3.55Å |
| 161 | D | 90.7 | Very high | 91.2 | Very high | 28 Ų | 28 | 23.7 Ų | 23.7 | 15% | 0.15 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -72.5 | -34.6 | -176 | -64.2 | -36.1 | 0 | 0 | 0 | 111.3 | H157 V163 I164 V165 T281 | H157-D161 IonicContact ND1-OD2 3.06Å; H157-D161 WeakPolarHBondContact O-CB 3.44Å; H157-D161 PolarHBondContact O-N 3.33Å; D161-V163 PolarHBondContact O-N 2.66Å; D161-I164 PolarHBondContact O-N 2.74Å; D161-V165 VanDerWaalsContact O-CB 3.31Å; D161-V165 WeakPolarHBondContact O-CB 3.22Å; D161-V165 WeakPolarHBondContact O-CG2 3.43Å; D161-V165 PolarHBondContact O-N 3.12Å; D161-T281 HydrophobicContact CB-CG2 3.82Å; D161-T281 WeakPolarHBondContact OD2-CG2 3.21Å |
| 162 | G | 90.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | M158 S166 F288 | M158-G162 VanDerWaalsContact O-CA 3.25Å; M158-G162 WeakPolarHBondContact O-CA 3.37Å; M158-G162 PolarHBondContact O-N 3.35Å; M158-G162 VanDerWaalsContact O-N 3.14Å; G162-S166 VanDerWaalsContact O-CB 3.32Å; G162-S166 WeakPolarHBondContact O-CB 3.36Å; G162-S166 PolarHBondContact O-N 2.85Å; G162-S166 VanDerWaalsContact O-N 3.12Å; G162-S166 PolarHBondContact O-OG 2.71Å; G162-F288 WeakPolarHBondContact O-CB 3.25Å |
| 163 | V | 91.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.6 | -42 | 176.6 | 175.2 | 0 | 0 | 0 | 0 | 111.6 | I159 T160 D161 S166 F167 F243 F288 L308 F312 | I159-V163 HydrophobicContact CG2-CG2 4.5Å; I159-V163 VanDerWaalsContact O-CB 3.26Å; I159-V163 WeakPolarHBondContact O-CB 2.96Å; I159-V163 WeakPolarHBondContact O-CG2 3.39Å; I159-V163 PolarHBondContact O-N 3.47Å; I159-V163 VanDerWaalsContact O-N 3.08Å; T160-V163 PolarHBondContact O-N 2.84Å; D161-V163 PolarHBondContact O-N 2.66Å; V163-S166 PolarHBondContact O-N 3.46Å; V163-F167 PolarHBondContact O-N 2.8Å; V163-F243 HydrophobicContact CG1-CE2 4.35Å; V163-F243 HydrophobicContact CG1-CZ 4.34Å; V163-F288 HydrophobicContact CG2-CD1 3.55Å; V163-F288 HydrophobicContact CG2-CE1 3.43Å; V163-F288 VanDerWaalsContact CG2-CE1 3.43Å; V163-F288 HydrophobicContact CG2-CG 4.26Å; V163-F288 HydrophobicContact CG2-CZ 4.03Å; V163-L308 HydrophobicContact CG1-CD1 4.06Å; V163-L308 HydrophobicContact CG1-CD2 4.42Å; V163-L308 HydrophobicContact CG2-CD2 3.98Å; V163-F312 HydrophobicContact CB-CE2 4.21Å; V163-F312 HydrophobicContact CB-CZ 3.85Å; V163-F312 HydrophobicContact CG1-CE2 3.6Å; V163-F312 HydrophobicContact CG1-CZ 3.63Å; V163-F312 HydrophobicContact CG2-CZ 4.41Å |
| 164 | I | 88.8 | Confident | 90.1 | Very high | 11 Ų | 11 | 27.7 Ų | 27.7 | 6% | 0.056 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.5 | -45.5 | 179.9 | -65.8 | 164.1 | 0 | 0 | 0 | 110.9 | T160 D161 S166 F167 Y193 P196 A251 | T160-I164 WeakPolarHBondContact O-CD1 3.47Å; T160-I164 WeakPolarHBondContact O-CG1 3.32Å; T160-I164 PolarHBondContact O-N 2.97Å; T160-I164 VanDerWaalsContact O-N 3.11Å; D161-I164 PolarHBondContact O-N 2.74Å; I164-S166 VanDerWaalsContact C-N 3.31Å; I164-S166 PolarHBondContact O-N 2.88Å; I164-F167 WeakPolarHBondContact O-CB 3.26Å; I164-F167 PolarHBondContact O-N 3.26Å; I164-F167 VanDerWaalsContact O-N 3.15Å; I164-Y193 HydrophobicContact CG2-CD2 3.72Å; I164-Y193 HydrophobicContact CG2-CG 4.26Å; I164-P196 HydrophobicContact CD1-CG 4.23Å; I164-A251 HydrophobicContact CD1-CB 4.29Å |
| 165 | V | 84 | Confident | 89.7 | Confident | 60 Ų | 60 | 27.7 Ų | 27.7 | 36% | 0.364 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -65 | -36.1 | 178.7 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | D161 F167 G168 A285 | D161-V165 VanDerWaalsContact O-CB 3.31Å; D161-V165 WeakPolarHBondContact O-CB 3.22Å; D161-V165 WeakPolarHBondContact O-CG2 3.43Å; D161-V165 PolarHBondContact O-N 3.12Å; V165-F167 PolarHBondContact O-N 3.47Å; V165-F167 VanDerWaalsContact O-N 3.15Å; V165-G168 PolarHBondContact O-N 3.21Å; V165-A285 HydrophobicContact CG1-CB 4.23Å |
| 166 | S | 86.5 | Confident | 89.3 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -7.4 | 177.6 | -56.5 | 0 | 0 | 0 | 0 | 113.6 | G162 V163 I164 G168 V169 F288 A289 | G162-S166 VanDerWaalsContact O-CB 3.32Å; G162-S166 WeakPolarHBondContact O-CB 3.36Å; G162-S166 PolarHBondContact O-N 2.85Å; G162-S166 VanDerWaalsContact O-N 3.12Å; G162-S166 PolarHBondContact O-OG 2.71Å; V163-S166 PolarHBondContact O-N 3.46Å; I164-S166 VanDerWaalsContact C-N 3.31Å; I164-S166 PolarHBondContact O-N 2.88Å; S166-G168 PolarHBondContact O-N 2.9Å; S166-G168 VanDerWaalsContact O-N 3.13Å; S166-V169 PolarHBondContact O-N 3.47Å; S166-V169 VanDerWaalsContact O-N 3.08Å; S166-F288 WeakPolarHBondContact OG-CB 3.45Å; S166-A289 PolarHBondContact OG-N 2.94Å; S166-A289 VanDerWaalsContact OG-N 3.15Å |
| 167 | F | 85.4 | Confident | 89 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 2% | 0.022 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.7 | -28.9 | 173.4 | -174.1 | -97.3 | 0 | 0 | 0 | 112.5 | V163 I164 V165 V169 F170 I171 L174 I188 F243 | V163-F167 PolarHBondContact O-N 2.8Å; I164-F167 WeakPolarHBondContact O-CB 3.26Å; I164-F167 PolarHBondContact O-N 3.26Å; I164-F167 VanDerWaalsContact O-N 3.15Å; V165-F167 PolarHBondContact O-N 3.47Å; V165-F167 VanDerWaalsContact O-N 3.15Å; F167-V169 PolarHBondContact O-N 3.36Å; F167-V169 VanDerWaalsContact O-N 3.12Å; F167-F170 HydrophobicContact CD2-CB 4.22Å; F167-F170 HydrophobicContact CD2-CD2 4.43Å; F167-F170 HydrophobicContact CE2-CB 4.16Å; F167-F170 WeakPolarHBondContact O-CB 3.16Å; F167-F170 PolarHBondContact O-N 3.4Å; F167-I171 HydrophobicContact CD1-CG1 4.3Å; F167-I171 HydrophobicContact CE1-CG1 3.97Å; F167-L174 HydrophobicContact CE2-CD1 3.76Å; F167-L174 HydrophobicContact CZ-CD1 3.64Å; F167-I188 HydrophobicContact CD2-CG2 4.29Å; F167-I188 HydrophobicContact CE1-CB 3.93Å; F167-I188 HydrophobicContact CE1-CG2 4.14Å; F167-I188 HydrophobicContact CE2-CB 4.07Å; F167-I188 HydrophobicContact CE2-CG2 3.42Å; F167-I188 VanDerWaalsContact CE2-CG2 3.42Å; F167-I188 HydrophobicContact CZ-CB 3.42Å; F167-I188 VanDerWaalsContact CZ-CB 3.42Å; F167-I188 HydrophobicContact CZ-CD1 4.15Å; F167-I188 HydrophobicContact CZ-CG1 4.4Å; F167-I188 HydrophobicContact CZ-CG2 3.33Å; F167-F243 HydrophobicContact CB-CE1 4.32Å; F167-F243 AromaticContact CD2-CD1 3.93Å; F167-F243 HydrophobicContact CD2-CD1 3.93Å; F167-F243 AromaticContact CD2-CE1 3.34Å; F167-F243 HydrophobicContact CD2-CE1 3.34Å; F167-F243 HydrophobicContact CD2-CZ 4.15Å; F167-F243 HydrophobicContact CE2-CD1 4.09Å; F167-F243 AromaticContact CE2-CE1 3.98Å; F167-F243 HydrophobicContact CE2-CE1 3.98Å; F167-F243 HydrophobicContact CG-CE1 4.05Å |
| 168 | G | 80.6 | Confident | 88.7 | Confident | 46 Ų | 46 | 36 Ų | 36 | 47% | 0.474 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -52.7 | -33.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V165 S166 F170 I171 | V165-G168 PolarHBondContact O-N 3.21Å; S166-G168 PolarHBondContact O-N 2.9Å; S166-G168 VanDerWaalsContact O-N 3.13Å; G168-F170 VanDerWaalsContact C-N 3.35Å; G168-I171 PolarHBondContact O-N 2.95Å |
| 169 | V | 86.5 | Confident | 88.3 | Confident | 47 Ų | 47 | 42.5 Ų | 42.5 | 29% | 0.285 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -73.6 | -26.5 | 179.2 | -169.2 | 0 | 0 | 0 | 0 | 111.9 | S166 F167 I171 V292 D293 L296 | S166-V169 PolarHBondContact O-N 3.47Å; S166-V169 VanDerWaalsContact O-N 3.08Å; F167-V169 PolarHBondContact O-N 3.36Å; F167-V169 VanDerWaalsContact O-N 3.12Å; V169-I171 VanDerWaalsContact C-N 3.32Å; V169-I171 PolarHBondContact O-N 3.32Å; V169-V292 HydrophobicContact CB-CG1 3.95Å; V169-V292 HydrophobicContact CG1-CG1 4.11Å; V169-D293 HydrophobicContact CG1-CB 4.22Å; V169-L296 HydrophobicContact CB-CD1 4.46Å; V169-L296 HydrophobicContact CG1-CD1 3.71Å |
| 170 | F | 87.9 | Confident | 87.7 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -76.3 | -17.9 | 178.8 | -72.5 | -89.6 | 0 | 0 | 0 | 113.6 | F167 G168 E172 S173 L174 V292 L296 W301 A304 M305 L308 | F167-F170 HydrophobicContact CD2-CB 4.22Å; F167-F170 HydrophobicContact CD2-CD2 4.43Å; F167-F170 HydrophobicContact CE2-CB 4.16Å; F167-F170 WeakPolarHBondContact O-CB 3.16Å; F167-F170 PolarHBondContact O-N 3.4Å; G168-F170 VanDerWaalsContact C-N 3.35Å; F170-E172 PolarHBondContact O-N 3.44Å; F170-S173 PolarHBondContact O-N 2.76Å; F170-L174 HydrophobicContact CB-CD1 3.92Å; F170-L174 HydrophobicContact CB-CG 4.41Å; F170-L174 WeakPolarHBondContact O-CB 3.27Å; F170-L174 WeakPolarHBondContact O-CG 3.34Å; F170-L174 PolarHBondContact O-N 2.73Å; F170-V292 HydrophobicContact CD2-CG1 3.75Å; F170-V292 HydrophobicContact CE1-CG1 4.31Å; F170-V292 HydrophobicContact CE2-CB 4.22Å; F170-V292 HydrophobicContact CE2-CG1 3.23Å; F170-V292 HydrophobicContact CE2-CG2 3.88Å; F170-V292 HydrophobicContact CZ-CG1 3.55Å; F170-V292 HydrophobicContact CZ-CG2 4.21Å; F170-L296 HydrophobicContact CD1-CD2 3.88Å; F170-L296 HydrophobicContact CE1-CD2 3.86Å; F170-L296 HydrophobicContact CE1-CG 4.47Å; F170-W301 HydrophobicContact CD1-CB 4.16Å; F170-W301 HydrophobicContact CE1-CB 4.41Å; F170-A304 HydrophobicContact CE1-CB 3.86Å; F170-A304 HydrophobicContact CZ-CB 4.03Å; F170-M305 HydrophobicContact CE1-CG 4.16Å; F170-M305 HydrophobicContact CE1-SD 4.17Å; F170-M305 HydrophobicContact CZ-SD 4.24Å; F170-L308 HydrophobicContact CE2-CD1 3.83Å; F170-L308 HydrophobicContact CZ-CD1 3.53Å |
| 171 | I | 85.8 | Confident | 87.2 | Confident | 29 Ų | 29 | 48.7 Ų | 48.7 | 15% | 0.149 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.5 | -47.6 | -169.9 | -66.5 | 176.4 | 0 | 0 | 0 | 111.2 | F167 G168 V169 L174 V175 M182 T185 | F167-I171 HydrophobicContact CD1-CG1 4.3Å; F167-I171 HydrophobicContact CE1-CG1 3.97Å; G168-I171 PolarHBondContact O-N 2.95Å; V169-I171 VanDerWaalsContact C-N 3.32Å; V169-I171 PolarHBondContact O-N 3.32Å; I171-L174 PolarHBondContact O-N 2.9Å; I171-V175 HydrophobicContact CG2-CG2 4.27Å; I171-V175 WeakPolarHBondContact O-CB 3.37Å; I171-V175 VanDerWaalsContact O-CG2 3.26Å; I171-V175 WeakPolarHBondContact O-CG2 3.32Å; I171-V175 PolarHBondContact O-N 2.72Å; I171-M182 HydrophobicContact CG2-CE 4.18Å; I171-M182 HydrophobicContact CG2-CG 4.01Å; I171-T185 HydrophobicContact CG2-CG2 4.38Å |
| 172 | E | 85.7 | Confident | 86.6 | Confident | 149 Ų | 149 | 53.2 Ų | 53.2 | 70% | 0.696 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.3 | -50.1 | -177.5 | -66.2 | 179.7 | -177.8 | 0 | 0 | 111.4 | F170 L174 V175 E176 | F170-E172 PolarHBondContact O-N 3.44Å; E172-L174 VanDerWaalsContact C-N 3.28Å; E172-L174 PolarHBondContact O-N 2.82Å; E172-V175 PolarHBondContact O-N 3.45Å; E172-E176 WeakPolarHBondContact O-CG 3.46Å; E172-E176 PolarHBondContact O-N 3.15Å |
| 173 | S | 88.7 | Confident | 85.9 | Confident | 36 Ų | 36 | 56.9 Ų | 56.9 | 25% | 0.252 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.1 | -33.8 | 178.6 | -52.7 | 0 | 0 | 0 | 0 | 113.4 | F170 E177 | F170-S173 PolarHBondContact O-N 2.76Å; S173-E177 WeakPolarHBondContact O-CB 3.39Å; S173-E177 PolarHBondContact O-N 3.09Å |
| 174 | L | 88.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -75.8 | -37.6 | 178.2 | -69.7 | 170.3 | 0 | 0 | 0 | 112 | F167 F170 I171 E172 E176 E177 F178 T185 I188 M239 W301 | F167-L174 HydrophobicContact CE2-CD1 3.76Å; F167-L174 HydrophobicContact CZ-CD1 3.64Å; F170-L174 HydrophobicContact CB-CD1 3.92Å; F170-L174 HydrophobicContact CB-CG 4.41Å; F170-L174 WeakPolarHBondContact O-CB 3.27Å; F170-L174 WeakPolarHBondContact O-CG 3.34Å; F170-L174 PolarHBondContact O-N 2.73Å; I171-L174 PolarHBondContact O-N 2.9Å; E172-L174 VanDerWaalsContact C-N 3.28Å; E172-L174 PolarHBondContact O-N 2.82Å; L174-E176 VanDerWaalsContact C-N 3.35Å; L174-E177 PolarHBondContact O-N 2.8Å; L174-F178 HydrophobicContact CB-CD2 4.39Å; L174-F178 HydrophobicContact CD2-CD2 4.25Å; L174-F178 HydrophobicContact CD2-CE2 3.73Å; L174-F178 WeakPolarHBondContact O-CB 3.29Å; L174-F178 VanDerWaalsContact O-CD2 3.32Å; L174-F178 WeakPolarHBondContact O-CD2 3.41Å; L174-F178 PolarHBondContact O-N 2.99Å; L174-T185 HydrophobicContact CB-CG2 3.58Å; L174-T185 HydrophobicContact CD1-CG2 4.03Å; L174-T185 HydrophobicContact CG-CG2 4.48Å; L174-I188 HydrophobicContact CD1-CD1 4.3Å; L174-M239 HydrophobicContact CD2-CE 4.31Å; L174-W301 HydrophobicContact CD2-CD2 4.06Å; L174-W301 HydrophobicContact CD2-CE3 4.03Å; L174-W301 HydrophobicContact CD2-CG 4.48Å; L174-W301 HydrophobicContact CD2-CZ3 4.36Å |
| 175 | V | 88.4 | Confident | 85.1 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 24% | 0.242 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 174 | 166.9 | 0 | 0 | 0 | 0 | 110.5 | I171 E172 Q179 M182 T185 | I171-V175 HydrophobicContact CG2-CG2 4.27Å; I171-V175 WeakPolarHBondContact O-CB 3.37Å; I171-V175 VanDerWaalsContact O-CG2 3.26Å; I171-V175 WeakPolarHBondContact O-CG2 3.32Å; I171-V175 PolarHBondContact O-N 2.72Å; E172-V175 PolarHBondContact O-N 3.45Å; V175-Q179 WeakPolarHBondContact O-CA 3.14Å; V175-Q179 PolarHBondContact O-N 2.76Å; V175-M182 HydrophobicContact CG2-CB 4.42Å; V175-T185 HydrophobicContact CG2-CG2 4.23Å; V175-T185 WeakPolarHBondContact CG2-OG1 3.36Å |
| 176 | E | 89.2 | Confident | 85 | Confident | 141 Ų | 141 | 56.8 Ų | 56.8 | 66% | 0.659 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.2 | -40.9 | 177.5 | -72 | -178.9 | 174.6 | 0 | 0 | 113 | E172 L174 Q179 | E172-E176 WeakPolarHBondContact O-CG 3.46Å; E172-E176 PolarHBondContact O-N 3.15Å; L174-E176 VanDerWaalsContact C-N 3.35Å; E176-Q179 PolarHBondContact O-NE2 2.95Å |
| 177 | E | 89.8 | Confident | 84.8 | Confident | 93 Ų | 93 | 62.1 Ų | 62.1 | 44% | 0.435 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -73.4 | -47.7 | -179.8 | 178.7 | 79.9 | 174.6 | 0 | 0 | 112.5 | S173 L174 W301 R302 | S173-E177 WeakPolarHBondContact O-CB 3.39Å; S173-E177 PolarHBondContact O-N 3.09Å; L174-E177 PolarHBondContact O-N 2.8Å; E177-W301 HydrophobicContact CG-CZ2 3.99Å; E177-R302 IonicContact OE1-CZ 3.3Å; E177-R302 VanDerWaalsContact OE1-CZ 3.3Å; E177-R302 IonicContact OE1-NH1 3.25Å; E177-R302 PolarHBondContact OE1-NH1 3.18Å; E177-R302 IonicContact OE1-NH2 2.96Å; E177-R302 PolarHBondContact OE1-NH2 2.92Å |
| 178 | F | 89.1 | Confident | 84.9 | Confident | 34 Ų | 34 | 61.9 Ų | 61.9 | 15% | 0.149 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -84.8 | -12.9 | -174.5 | -68.8 | -61.4 | 0 | 0 | 0 | 113.7 | L174 D180 I236 W301 | L174-F178 HydrophobicContact CB-CD2 4.39Å; L174-F178 HydrophobicContact CD2-CD2 4.25Å; L174-F178 HydrophobicContact CD2-CE2 3.73Å; L174-F178 WeakPolarHBondContact O-CB 3.29Å; L174-F178 VanDerWaalsContact O-CD2 3.32Å; L174-F178 WeakPolarHBondContact O-CD2 3.41Å; L174-F178 PolarHBondContact O-N 2.99Å; F178-D180 HydrophobicContact CB-CB 4.35Å; F178-D180 PolarHBondContact O-N 3.27Å; F178-I236 HydrophobicContact CB-CD1 4.17Å; F178-I236 HydrophobicContact CB-CG1 3.96Å; F178-I236 HydrophobicContact CD2-CG1 3.87Å; F178-I236 HydrophobicContact CG-CG1 3.89Å; F178-W301 HydrophobicContact CE2-CH2 4.46Å; F178-W301 HydrophobicContact CE2-CZ2 4.45Å; F178-W301 HydrophobicContact CZ-CH2 4.1Å; F178-W301 HydrophobicContact CZ-CZ2 4.21Å |
| 179 | Q | 86.7 | Confident | 85 | Confident | 162 Ų | 162 | 60.3 Ų | 60.3 | 76% | 0.757 | 32% | 0.319 | S | S | * | . | trans | 55.4 | 29.1 | -177.3 | -62.7 | -70.9 | -51.7 | 0 | 0 | 113 | V175 E176 | V175-Q179 WeakPolarHBondContact O-CA 3.14Å; V175-Q179 PolarHBondContact O-N 2.76Å; E176-Q179 PolarHBondContact O-NE2 2.95Å | ||
| 180 | D | 82.6 | Confident | 84.8 | Confident | 77 Ų | 77 | 60.7 Ų | 60.7 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | trans | -103.4 | 161.8 | -179.4 | -94.9 | -35 | 0 | 0 | 0 | 110.6 | F178 A184 I236 | F178-D180 HydrophobicContact CB-CB 4.35Å; F178-D180 PolarHBondContact O-N 3.27Å; D180-A184 HydrophobicContact CB-CB 4.37Å; D180-I236 HydrophobicContact CB-CD1 3.29Å; D180-I236 HydrophobicContact CB-CG1 4.36Å; D180-I236 VanDerWaalsContact OD2-CD1 3.22Å; D180-I236 WeakPolarHBondContact OD2-CD1 3.47Å; D180-I236 WeakPolarHBondContact OD2-CG1 3.37Å | ||
| 181 | S | 84.9 | Confident | 84.8 | Confident | 62 Ų | 62 | 63.3 Ų | 63.3 | 43% | 0.434 | 34% | 0.335 | S | S | . | . | trans | -63.2 | 148.3 | -179.9 | 73.7 | 0 | 0 | 0 | 0 | 112.5 | S183 A184 T185 | S181-S183 PolarHBondContact O-N 3.24Å; S181-S183 VanDerWaalsContact O-N 3.12Å; S181-S183 PolarHBondContact OG-OG 3.44Å; S181-A184 WeakPolarHBondContact O-CB 3.25Å; S181-A184 PolarHBondContact O-N 3.41Å; S181-A184 WeakPolarHBondContact OG-CB 3.32Å; S181-A184 PolarHBondContact OG-N 2.84Å; S181-A184 VanDerWaalsContact OG-N 3.16Å; S181-T185 PolarHBondContact O-N 2.77Å; S181-T185 PolarHBondContact O-OG1 2.92Å | ||
| 182 | M | 76.4 | Confident | 84.9 | Confident | 123 Ų | 123 | 62 Ų | 62 | 61% | 0.606 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -53.1 | -35.3 | 173.3 | -170.1 | -175.1 | -170.9 | 0 | 0 | 112.3 | I171 V175 T185 S186 | I171-M182 HydrophobicContact CG2-CE 4.18Å; I171-M182 HydrophobicContact CG2-CG 4.01Å; V175-M182 HydrophobicContact CG2-CB 4.42Å; M182-T185 PolarHBondContact O-N 2.87Å; M182-S186 WeakPolarHBondContact O-CB 3.27Å; M182-S186 PolarHBondContact O-N 3.22Å |
| 183 | S | 75.5 | Confident | 84.9 | Confident | 76 Ų | 76 | 58.2 Ų | 58.2 | 53% | 0.531 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 175.5 | 75 | 0 | 0 | 0 | 0 | 112.4 | S181 S186 | S181-S183 PolarHBondContact O-N 3.24Å; S181-S183 VanDerWaalsContact O-N 3.12Å; S181-S183 PolarHBondContact OG-OG 3.44Å; S183-S186 PolarHBondContact O-N 3.4Å; S183-S186 PolarHBondContact O-OG 3.13Å |
| 184 | A | 80.5 | Confident | 84.7 | Confident | 26 Ų | 26 | 56.6 Ų | 56.6 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D180 S181 S186 W187 I236 | D180-A184 HydrophobicContact CB-CB 4.37Å; S181-A184 WeakPolarHBondContact O-CB 3.25Å; S181-A184 PolarHBondContact O-N 3.41Å; S181-A184 WeakPolarHBondContact OG-CB 3.32Å; S181-A184 PolarHBondContact OG-N 2.84Å; S181-A184 VanDerWaalsContact OG-N 3.16Å; A184-S186 PolarHBondContact O-N 2.98Å; A184-W187 PolarHBondContact O-N 2.95Å; A184-I236 HydrophobicContact CB-CD1 4.19Å |
| 185 | T | 83.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.4 | -35.4 | 178.1 | -52.7 | 0 | 0 | 0 | 0 | 112.6 | I171 L174 V175 S181 M182 W187 I188 I236 | I171-T185 HydrophobicContact CG2-CG2 4.38Å; L174-T185 HydrophobicContact CB-CG2 3.58Å; L174-T185 HydrophobicContact CD1-CG2 4.03Å; L174-T185 HydrophobicContact CG-CG2 4.48Å; V175-T185 HydrophobicContact CG2-CG2 4.23Å; V175-T185 WeakPolarHBondContact CG2-OG1 3.36Å; S181-T185 PolarHBondContact O-N 2.77Å; S181-T185 PolarHBondContact O-OG1 2.92Å; M182-T185 PolarHBondContact O-N 2.87Å; T185-W187 PolarHBondContact O-N 3.36Å; T185-I188 HydrophobicContact CG2-CD1 4.29Å; T185-I188 WeakPolarHBondContact O-CB 3.36Å; T185-I188 PolarHBondContact O-N 3.38Å; T185-I188 VanDerWaalsContact O-N 3.11Å; T185-I236 WeakPolarHBondContact OG1-CD1 3.42Å |
| 186 | S | 82.3 | Confident | 85.1 | Confident | 44 Ų | 44 | 56.3 Ų | 56.3 | 31% | 0.308 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.2 | -22.6 | -179.4 | 76.6 | 0 | 0 | 0 | 0 | 114.2 | M182 S183 A184 I188 G189 S190 | M182-S186 WeakPolarHBondContact O-CB 3.27Å; M182-S186 PolarHBondContact O-N 3.22Å; S183-S186 PolarHBondContact O-N 3.4Å; S183-S186 PolarHBondContact O-OG 3.13Å; A184-S186 PolarHBondContact O-N 2.98Å; S186-I188 PolarHBondContact O-N 3.12Å; S186-G189 PolarHBondContact O-N 3.46Å; S186-S190 PolarHBondContact O-N 3.48Å; S186-S190 VanDerWaalsContact O-N 3.08Å; S186-S190 PolarHBondContact O-OG 2.92Å |
| 187 | W | 83 | Confident | 85.1 | Confident | 114 Ų | 114 | 50.3 Ų | 50.3 | 43% | 0.432 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60 | -34.2 | 174.5 | -76 | 101 | 0 | 0 | 0 | 112.1 | A184 T185 S190 F191 V240 P827 | A184-W187 PolarHBondContact O-N 2.95Å; T185-W187 PolarHBondContact O-N 3.36Å; W187-S190 PolarHBondContact O-N 2.91Å; W187-F191 HydrophobicContact CB-CD2 4.35Å; W187-F191 HydrophobicContact CB-CE2 4.45Å; W187-F191 HydrophobicContact CD2-CE2 4.42Å; W187-F191 HydrophobicContact CE3-CD2 4.21Å; W187-F191 AromaticContact CE3-CE2 3.59Å; W187-F191 HydrophobicContact CE3-CE2 3.59Å; W187-F191 HydrophobicContact CE3-CZ 4.3Å; W187-F191 HydrophobicContact CZ3-CE2 4.27Å; W187-F191 WeakPolarHBondContact O-CD2 3.15Å; W187-F191 PolarHBondContact O-N 2.84Å; W187-V240 HydrophobicContact CB-CG2 4.43Å; W187-P827 HydrophobicContact CH2-CG 4.29Å |
| 188 | I | 87.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.2 | -54.5 | 180 | -61.6 | 161 | 0 | 0 | 0 | 109.9 | F167 L174 T185 S186 S190 F191 S192 I236 M239 V240 F243 | F167-I188 HydrophobicContact CD2-CG2 4.29Å; F167-I188 HydrophobicContact CE1-CB 3.93Å; F167-I188 HydrophobicContact CE1-CG2 4.14Å; F167-I188 HydrophobicContact CE2-CB 4.07Å; F167-I188 HydrophobicContact CE2-CG2 3.42Å; F167-I188 VanDerWaalsContact CE2-CG2 3.42Å; F167-I188 HydrophobicContact CZ-CB 3.42Å; F167-I188 VanDerWaalsContact CZ-CB 3.42Å; F167-I188 HydrophobicContact CZ-CD1 4.15Å; F167-I188 HydrophobicContact CZ-CG1 4.4Å; F167-I188 HydrophobicContact CZ-CG2 3.33Å; L174-I188 HydrophobicContact CD1-CD1 4.3Å; T185-I188 HydrophobicContact CG2-CD1 4.29Å; T185-I188 WeakPolarHBondContact O-CB 3.36Å; T185-I188 PolarHBondContact O-N 3.38Å; T185-I188 VanDerWaalsContact O-N 3.11Å; S186-I188 PolarHBondContact O-N 3.12Å; I188-S190 VanDerWaalsContact C-N 3.34Å; I188-S190 PolarHBondContact O-N 3.24Å; I188-F191 PolarHBondContact O-N 3.43Å; I188-S192 PolarHBondContact O-N 3.3Å; I188-S192 PolarHBondContact O-OG 3.12Å; I188-S192 VanDerWaalsContact O-OG 3.05Å; I188-I236 HydrophobicContact CD1-CG2 4.09Å; I188-I236 HydrophobicContact CG1-CG2 4.28Å; I188-M239 HydrophobicContact CD1-CB 3.95Å; I188-M239 HydrophobicContact CD1-CG 3.63Å; I188-M239 HydrophobicContact CG1-CB 4.33Å; I188-M239 HydrophobicContact CG1-CG 4.12Å; I188-M239 HydrophobicContact CG2-CG 4.04Å; I188-V240 HydrophobicContact CB-CG2 4.4Å; I188-V240 HydrophobicContact CG1-CG2 3.58Å; I188-F243 HydrophobicContact CG2-CB 4.5Å; I188-F243 HydrophobicContact CG2-CD1 3.73Å |
| 189 | G | 81.9 | Confident | 85.4 | Confident | 13 Ų | 13 | 47 Ų | 47 | 13% | 0.134 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.1 | -37.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | S186 F191 S192 Y193 | S186-G189 PolarHBondContact O-N 3.46Å; G189-F191 PolarHBondContact O-N 2.77Å; G189-S192 PolarHBondContact O-N 3.5Å; G189-Y193 PolarHBondContact O-N 3.5Å |
| 190 | S | 82.7 | Confident | 85.6 | Confident | 55 Ų | 55 | 39.2 Ų | 39.2 | 39% | 0.385 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 177.7 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | S186 W187 I188 G194 | S186-S190 PolarHBondContact O-N 3.48Å; S186-S190 VanDerWaalsContact O-N 3.08Å; S186-S190 PolarHBondContact O-OG 2.92Å; W187-S190 PolarHBondContact O-N 2.91Å; I188-S190 VanDerWaalsContact C-N 3.34Å; I188-S190 PolarHBondContact O-N 3.24Å; S190-G194 PolarHBondContact O-N 3.35Å |
| 191 | F | 87.7 | Confident | 86 | Confident | 56 Ų | 56 | 36 Ų | 36 | 25% | 0.246 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.1 | -41.2 | 174.4 | -82 | -72.2 | 0 | 0 | 0 | 111.7 | W187 I188 G189 Y193 G194 I195 V240 I245 | W187-F191 HydrophobicContact CB-CD2 4.35Å; W187-F191 HydrophobicContact CB-CE2 4.45Å; W187-F191 HydrophobicContact CD2-CE2 4.42Å; W187-F191 HydrophobicContact CE3-CD2 4.21Å; W187-F191 AromaticContact CE3-CE2 3.59Å; W187-F191 HydrophobicContact CE3-CE2 3.59Å; W187-F191 HydrophobicContact CE3-CZ 4.3Å; W187-F191 HydrophobicContact CZ3-CE2 4.27Å; W187-F191 WeakPolarHBondContact O-CD2 3.15Å; W187-F191 PolarHBondContact O-N 2.84Å; I188-F191 PolarHBondContact O-N 3.43Å; G189-F191 PolarHBondContact O-N 2.77Å; F191-Y193 PolarHBondContact O-N 2.97Å; F191-G194 PolarHBondContact O-N 3.04Å; F191-I195 HydrophobicContact CB-CG1 4.28Å; F191-I195 HydrophobicContact CD1-CD1 3.99Å; F191-I195 HydrophobicContact CD1-CG1 3.9Å; F191-I195 WeakPolarHBondContact O-CB 3.22Å; F191-I195 WeakPolarHBondContact O-CG1 3.32Å; F191-I195 PolarHBondContact O-N 3.44Å; F191-V240 HydrophobicContact CB-CG1 4.44Å; F191-V240 HydrophobicContact CD2-CG1 3.55Å; F191-V240 HydrophobicContact CE2-CG1 4.02Å; F191-V240 HydrophobicContact CG-CG1 4.07Å; F191-I245 HydrophobicContact CD1-CG1 4.42Å |
| 192 | S | 88.2 | Confident | 86.3 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.6 | -35 | 177.7 | -63.4 | 0 | 0 | 0 | 0 | 112.9 | I188 G189 P196 F243 G244 | I188-S192 PolarHBondContact O-N 3.3Å; I188-S192 PolarHBondContact O-OG 3.12Å; I188-S192 VanDerWaalsContact O-OG 3.05Å; G189-S192 PolarHBondContact O-N 3.5Å; S192-P196 WeakPolarHBondContact O-CD 3.09Å; S192-P196 WeakPolarHBondContact O-CG 3.16Å; S192-F243 WeakPolarHBondContact OG-CD1 3.16Å; S192-F243 VanDerWaalsContact OG-CE1 3.25Å; S192-F243 WeakPolarHBondContact OG-CE1 3.49Å; S192-F243 PolarHBondContact OG-O 2.97Å; S192-G244 WeakPolarHBondContact OG-CA 3.42Å |
| 193 | Y | 85.5 | Confident | 87 | Confident | 70 Ų | 70 | 31.2 Ų | 31.2 | 28% | 0.275 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -88.8 | -37 | 177.3 | -166 | -102.3 | 0 | 0 | 0 | 113.4 | I164 G189 F191 P196 | I164-Y193 HydrophobicContact CG2-CD2 3.72Å; I164-Y193 HydrophobicContact CG2-CG 4.26Å; G189-Y193 PolarHBondContact O-N 3.5Å; F191-Y193 PolarHBondContact O-N 2.97Å; Y193-P196 WeakPolarHBondContact O-CD 3.32Å |
| 194 | G | 85.3 | Confident | 87.6 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -76.5 | -37.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S190 F191 A197 L198 | S190-G194 PolarHBondContact O-N 3.35Å; F191-G194 PolarHBondContact O-N 3.04Å; G194-A197 PolarHBondContact O-N 2.99Å; G194-L198 PolarHBondContact O-N 3.29Å |
| 195 | I | 91.6 | Very high | 87.9 | Confident | 21 Ų | 21 | 28.7 Ų | 28.7 | 11% | 0.108 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.6 | -42.4 | -178.7 | -66 | -70 | 0 | 0 | 0 | 112.8 | F191 A197 L198 A199 I245 L249 | F191-I195 HydrophobicContact CB-CG1 4.28Å; F191-I195 HydrophobicContact CD1-CD1 3.99Å; F191-I195 HydrophobicContact CD1-CG1 3.9Å; F191-I195 WeakPolarHBondContact O-CB 3.22Å; F191-I195 WeakPolarHBondContact O-CG1 3.32Å; F191-I195 PolarHBondContact O-N 3.44Å; I195-A197 PolarHBondContact O-N 3.07Å; I195-L198 HydrophobicContact CD1-CD1 4.35Å; I195-L198 PolarHBondContact O-N 3.02Å; I195-A199 VanDerWaalsContact O-CB 3.27Å; I195-A199 WeakPolarHBondContact O-CB 3.32Å; I195-A199 PolarHBondContact O-N 2.72Å; I195-I245 HydrophobicContact CG1-CG1 4.43Å; I195-L249 HydrophobicContact CG2-CD2 3.87Å; I195-L249 HydrophobicContact CG2-CG 3.91Å |
| 196 | P | 92.6 | Very high | 88.2 | Confident | 13 Ų | 13 | 31.1 Ų | 31.1 | 8% | 0.084 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -49.8 | -44.6 | 174.5 | -30.4 | 34.1 | 0 | 0 | 0 | 114 | I164 S192 Y193 A251 S252 I255 | I164-P196 HydrophobicContact CD1-CG 4.23Å; S192-P196 WeakPolarHBondContact O-CD 3.09Å; S192-P196 WeakPolarHBondContact O-CG 3.16Å; Y193-P196 WeakPolarHBondContact O-CD 3.32Å; P196-A251 HydrophobicContact CG-CB 4.14Å; P196-S252 VanDerWaalsContact O-CB 3.29Å; P196-S252 WeakPolarHBondContact O-CB 3.35Å; P196-S252 PolarHBondContact O-OG 2.95Å; P196-I255 HydrophobicContact CB-CD1 4.27Å |
| 197 | A | 90.6 | Very high | 88.4 | Confident | 14 Ų | 14 | 29.4 Ų | 29.4 | 12% | 0.116 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72.8 | -45.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | G194 I195 A199 A200 F815 F816 | G194-A197 PolarHBondContact O-N 2.99Å; I195-A197 PolarHBondContact O-N 3.07Å; A197-A199 VanDerWaalsContact C-N 3.3Å; A197-A199 PolarHBondContact O-N 2.72Å; A197-A200 VanDerWaalsContact O-CB 3.28Å; A197-A200 WeakPolarHBondContact O-CB 3.33Å; A197-A200 PolarHBondContact O-N 3.1Å; A197-F815 CarbonylContact C-O 3.44Å; A197-F815 CarbonylContact O-C 3.44Å; A197-F815 VanDerWaalsContact O-O 3.12Å; A197-F816 PolarHBondContact O-N 3.38Å |
| 198 | L | 92 | Very high | 88.3 | Confident | 46 Ų | 46 | 28.2 Ų | 28.2 | 24% | 0.241 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.8 | -35.8 | 176.5 | -78.7 | -174.5 | 0 | 0 | 0 | 113.6 | G194 I195 A200 P201 F816 V820 I823 | G194-L198 PolarHBondContact O-N 3.29Å; I195-L198 HydrophobicContact CD1-CD1 4.35Å; I195-L198 PolarHBondContact O-N 3.02Å; L198-A200 VanDerWaalsContact C-N 3.28Å; L198-A200 PolarHBondContact O-N 2.98Å; L198-P201 WeakPolarHBondContact O-CD 3.31Å; L198-F816 HydrophobicContact CD2-CD2 4.28Å; L198-F816 HydrophobicContact CD2-CE2 4.21Å; L198-F816 WeakPolarHBondContact O-CD2 3.34Å; L198-V820 HydrophobicContact CD2-CB 4.46Å; L198-V820 HydrophobicContact CD2-CG2 3.59Å; L198-I823 HydrophobicContact CD1-CD1 3.13Å; L198-I823 HydrophobicContact CD2-CD1 4.36Å; L198-I823 HydrophobicContact CG-CD1 3.7Å |
| 199 | A | 92.9 | Very high | 88.1 | Confident | 11 Ų | 11 | 37.7 Ų | 37.7 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 0.6 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | I195 A197 P201 L202 S203 L249 S252 | I195-A199 VanDerWaalsContact O-CB 3.27Å; I195-A199 WeakPolarHBondContact O-CB 3.32Å; I195-A199 PolarHBondContact O-N 2.72Å; A197-A199 VanDerWaalsContact C-N 3.3Å; A197-A199 PolarHBondContact O-N 2.72Å; A199-P201 VanDerWaalsContact C-CD 3.48Å; A199-L202 WeakPolarHBondContact O-CB 3.2Å; A199-L202 PolarHBondContact O-N 3.36Å; A199-S203 PolarHBondContact O-N 2.87Å; A199-S203 PolarHBondContact O-OG 2.89Å; A199-L249 HydrophobicContact CB-CD2 3.56Å; A199-S252 PolarHBondContact O-OG 3.34Å |
| 200 | A | 91.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58 | -36 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A197 L198 L202 S203 S204 S252 F815 | A197-A200 VanDerWaalsContact O-CB 3.28Å; A197-A200 WeakPolarHBondContact O-CB 3.33Å; A197-A200 PolarHBondContact O-N 3.1Å; L198-A200 VanDerWaalsContact C-N 3.28Å; L198-A200 PolarHBondContact O-N 2.98Å; A200-L202 VanDerWaalsContact C-N 3.35Å; A200-L202 PolarHBondContact O-N 2.91Å; A200-S203 WeakPolarHBondContact O-CB 3.25Å; A200-S203 PolarHBondContact O-N 3.34Å; A200-S204 WeakPolarHBondContact O-CB 3.46Å; A200-S204 PolarHBondContact O-N 3.4Å; A200-S204 PolarHBondContact O-OG 2.95Å; A200-S252 PolarHBondContact N-OG 3.24Å; A200-F815 HydrophobicContact CB-CB 3.38Å; A200-F815 HydrophobicContact CB-CD2 3.95Å; A200-F815 HydrophobicContact CB-CG 4.18Å |
| 201 | P | 90.9 | Very high | 88.5 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.5 | -40.8 | 172.7 | -22.1 | 32.2 | 0 | 0 | 0 | 112.6 | L198 A199 S203 S204 L205 L674 F675 G812 F816 | L198-P201 WeakPolarHBondContact O-CD 3.31Å; A199-P201 VanDerWaalsContact C-CD 3.48Å; P201-S203 VanDerWaalsContact C-N 3.33Å; P201-S204 WeakPolarHBondContact O-CB 3.42Å; P201-S204 PolarHBondContact O-N 2.98Å; P201-L205 PolarHBondContact O-N 3.24Å; P201-L674 HydrophobicContact CB-CD2 4.31Å; P201-L674 VanDerWaalsContact O-CD2 3.26Å; P201-L674 WeakPolarHBondContact O-CD2 3.49Å; P201-F675 HydrophobicContact CB-CZ 4.39Å; P201-F675 HydrophobicContact CG-CE1 4.38Å; P201-F675 HydrophobicContact CG-CZ 4.21Å; P201-G812 WeakPolarHBondContact CD-O 3.42Å; P201-G812 WeakPolarHBondContact CG-O 3.22Å; P201-F816 HydrophobicContact CG-CB 3.69Å; P201-F816 HydrophobicContact CG-CD2 4.02Å; P201-F816 HydrophobicContact CG-CG 4.12Å |
| 202 | L | 91.1 | Very high | 88.6 | Confident | 85 Ų | 85 | 39.2 Ų | 39.2 | 45% | 0.445 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 176.5 | 176.9 | 63.5 | 0 | 0 | 0 | 110.3 | A199 A200 S204 L205 L206 | A199-L202 WeakPolarHBondContact O-CB 3.2Å; A199-L202 PolarHBondContact O-N 3.36Å; A200-L202 VanDerWaalsContact C-N 3.35Å; A200-L202 PolarHBondContact O-N 2.91Å; L202-S204 VanDerWaalsContact C-N 3.31Å; L202-S204 PolarHBondContact O-N 3.06Å; L202-L205 PolarHBondContact O-N 3.41Å; L202-L206 HydrophobicContact CD1-CD1 4.45Å; L202-L206 HydrophobicContact CG-CD1 4.28Å; L202-L206 WeakPolarHBondContact O-CG 3.45Å; L202-L206 PolarHBondContact O-N 3.39Å; L202-L206 VanDerWaalsContact O-N 3.07Å |
| 203 | S | 90.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.4 | -42.7 | 174.5 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | A199 A200 P201 L205 L206 L207 S252 L253 T256 | A199-S203 PolarHBondContact O-N 2.87Å; A199-S203 PolarHBondContact O-OG 2.89Å; A200-S203 WeakPolarHBondContact O-CB 3.25Å; A200-S203 PolarHBondContact O-N 3.34Å; P201-S203 VanDerWaalsContact C-N 3.33Å; S203-L205 PolarHBondContact O-N 3.49Å; S203-L206 PolarHBondContact O-N 3.28Å; S203-L207 WeakPolarHBondContact O-CB 3.34Å; S203-L207 WeakPolarHBondContact O-CG 3.34Å; S203-L207 PolarHBondContact O-N 2.97Å; S203-S252 WeakPolarHBondContact OG-CB 3.13Å; S203-S252 PolarHBondContact OG-O 2.6Å; S203-S252 PolarHBondContact OG-OG 2.69Å; S203-L253 WeakPolarHBondContact OG-CD2 3.49Å; S203-L253 PolarHBondContact OG-N 2.76Å; S203-T256 WeakPolarHBondContact CB-OG1 3.13Å |
| 204 | S | 88.4 | Confident | 89.2 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.1 | -39.2 | 178 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | A200 P201 L202 L207 N208 T808 | A200-S204 WeakPolarHBondContact O-CB 3.46Å; A200-S204 PolarHBondContact O-N 3.4Å; A200-S204 PolarHBondContact O-OG 2.95Å; P201-S204 WeakPolarHBondContact O-CB 3.42Å; P201-S204 PolarHBondContact O-N 2.98Å; L202-S204 VanDerWaalsContact C-N 3.31Å; L202-S204 PolarHBondContact O-N 3.06Å; S204-L207 PolarHBondContact O-N 2.97Å; S204-N208 VanDerWaalsContact O-CG 3.27Å; S204-N208 PolarHBondContact O-N 3.01Å; S204-N208 PolarHBondContact O-ND2 2.82Å; S204-T808 WeakPolarHBondContact CB-O 3.26Å; S204-T808 PolarHBondContact OG-O 3.19Å |
| 205 | L | 86.5 | Confident | 89.6 | Confident | 47 Ų | 47 | 45.1 Ų | 45.1 | 25% | 0.246 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.2 | -45.4 | 173.9 | -177.8 | 73.1 | 0 | 0 | 0 | 111.9 | P201 L202 S203 L207 N208 R209 I670 L674 | P201-L205 PolarHBondContact O-N 3.24Å; L202-L205 PolarHBondContact O-N 3.41Å; S203-L205 PolarHBondContact O-N 3.49Å; L205-L207 VanDerWaalsContact C-N 3.31Å; L205-L207 PolarHBondContact O-N 3.22Å; L205-N208 PolarHBondContact O-N 3.4Å; L205-R209 PolarHBondContact O-N 2.95Å; L205-R209 VanDerWaalsContact O-N 3.14Å; L205-I670 HydrophobicContact CD2-CG2 3.84Å; L205-L674 HydrophobicContact CB-CD2 3.59Å; L205-L674 HydrophobicContact CB-CG 4.46Å; L205-L674 HydrophobicContact CD2-CD1 4.45Å; L205-L674 HydrophobicContact CD2-CD2 3.89Å; L205-L674 HydrophobicContact CD2-CG 4.14Å; L205-L674 HydrophobicContact CG-CD2 4.19Å |
| 206 | L | 88.5 | Confident | 89.8 | Confident | 50 Ų | 50 | 44.1 Ų | 44.1 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.2 | -37.4 | 179 | -71.3 | 169.5 | 0 | 0 | 0 | 111.4 | L202 S203 R209 F210 T215 L253 | L202-L206 HydrophobicContact CD1-CD1 4.45Å; L202-L206 HydrophobicContact CG-CD1 4.28Å; L202-L206 WeakPolarHBondContact O-CG 3.45Å; L202-L206 PolarHBondContact O-N 3.39Å; L202-L206 VanDerWaalsContact O-N 3.07Å; S203-L206 PolarHBondContact O-N 3.28Å; L206-R209 PolarHBondContact O-N 3.15Å; L206-F210 HydrophobicContact CD2-CD2 3.87Å; L206-F210 HydrophobicContact CD2-CE2 3.67Å; L206-F210 PolarHBondContact O-N 3.48Å; L206-T215 HydrophobicContact CB-CG2 4.17Å; L206-T215 PolarHBondContact O-OG1 2.62Å; L206-L253 HydrophobicContact CB-CD2 4.26Å; L206-L253 HydrophobicContact CD1-CD2 3.48Å; L206-L253 VanDerWaalsContact CD1-CD2 3.48Å; L206-L253 HydrophobicContact CG-CD2 4.49Å |
| 207 | L | 87.5 | Confident | 90 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 173.1 | -72.9 | 168.1 | 0 | 0 | 0 | 112.5 | S203 S204 L205 R209 G211 C212 T215 T256 V260 | S203-L207 WeakPolarHBondContact O-CB 3.34Å; S203-L207 WeakPolarHBondContact O-CG 3.34Å; S203-L207 PolarHBondContact O-N 2.97Å; S204-L207 PolarHBondContact O-N 2.97Å; L205-L207 VanDerWaalsContact C-N 3.31Å; L205-L207 PolarHBondContact O-N 3.22Å; L207-R209 PolarHBondContact O-N 3.16Å; L207-G211 WeakPolarHBondContact O-CA 3.23Å; L207-G211 PolarHBondContact O-N 2.99Å; L207-C212 HydrophobicContact CD2-CB 4.21Å; L207-T215 HydrophobicContact CD2-CG2 3.74Å; L207-T215 HydrophobicContact CG-CG2 3.94Å; L207-T256 HydrophobicContact CD1-CG2 3.51Å; L207-V260 HydrophobicContact CD1-CG2 4.35Å |
| 208 | N | 81.4 | Confident | 90.3 | Very high | 90 Ų | 90 | 49 Ų | 49 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64 | -28.8 | 178.8 | -69.6 | -22.5 | 0 | 0 | 0 | 112.3 | S204 L205 T808 N809 | S204-N208 VanDerWaalsContact O-CG 3.27Å; S204-N208 PolarHBondContact O-N 3.01Å; S204-N208 PolarHBondContact O-ND2 2.82Å; L205-N208 PolarHBondContact O-N 3.4Å; N208-T808 PolarHBondContact ND2-OG1 3.43Å; N208-T808 PolarHBondContact OD1-OG1 3.48Å; N208-N809 PolarHBondContact ND2-OD1 3.11Å |
| 209 | R | 83.3 | Confident | 90.5 | Very high | 198 Ų | 198 | 46.8 Ų | 46.8 | 75% | 0.747 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -89 | -45.8 | -178 | -171.4 | 173.5 | -175.6 | 173.5 | 1.5 | 114.1 | L205 L206 L207 | L205-R209 PolarHBondContact O-N 2.95Å; L205-R209 VanDerWaalsContact O-N 3.14Å; L206-R209 PolarHBondContact O-N 3.15Å; L207-R209 PolarHBondContact O-N 3.16Å |
| 210 | F | 86 | Confident | 90.6 | Very high | 108 Ų | 108 | 46.3 Ų | 46.3 | 47% | 0.474 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -106.9 | -11.7 | -172.1 | -61.9 | -66.9 | 0 | 0 | 0 | 113.6 | L206 V214 | L206-F210 HydrophobicContact CD2-CD2 3.87Å; L206-F210 HydrophobicContact CD2-CE2 3.67Å; L206-F210 PolarHBondContact O-N 3.48Å; F210-V214 HydrophobicContact CB-CB 4.31Å; F210-V214 HydrophobicContact CB-CG1 4.31Å |
| 211 | G | 85.9 | Confident | 90.9 | Very high | 27 Ų | 27 | 50.2 Ų | 50.2 | 28% | 0.278 | 25% | 0.25 | S | S | . | . | trans | 82.3 | 164.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L207 R213 T215 | L207-G211 WeakPolarHBondContact O-CA 3.23Å; L207-G211 PolarHBondContact O-N 2.99Å; G211-R213 PolarHBondContact O-N 2.86Å; G211-T215 WeakPolarHBondContact O-CB 3.27Å; G211-T215 PolarHBondContact O-N 2.91Å; G211-T215 PolarHBondContact O-OG1 3Å | ||
| 212 | C | 89.8 | Confident | 91.2 | Very high | 21 Ų | 21 | 52.2 Ų | 52.2 | 14% | 0.142 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.3 | -42.6 | -174.8 | -53.2 | 0 | 0 | 0 | 0 | 113.6 | L207 C216 V261 | L207-C212 HydrophobicContact CD2-CB 4.21Å; C212-C216 WeakPolarHBondContact O-CB 3.07Å; C212-C216 PolarHBondContact O-N 3.24Å; C212-V261 HydrophobicContact CB-CB 4.29Å |
| 213 | R | 93.6 | Very high | 91.4 | Very high | 122 Ų | 122 | 48.1 Ų | 48.1 | 46% | 0.46 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.6 | -56.2 | -176.7 | -167.9 | -179.2 | -179 | -171 | -1 | 112.9 | G211 C216 M217 G319 A320 M322 | G211-R213 PolarHBondContact O-N 2.86Å; R213-C216 PolarHBondContact O-N 2.96Å; R213-M217 HydrophobicContact CG-SD 4.34Å; R213-M217 VanDerWaalsContact O-CG 3.31Å; R213-M217 WeakPolarHBondContact O-CG 3.18Å; R213-M217 PolarHBondContact O-N 2.92Å; R213-M217 VanDerWaalsContact O-N 3.15Å; R213-G319 WeakPolarHBondContact CG-O 3.35Å; R213-A320 PolarHBondContact NE-O 3.41Å; R213-M322 WeakPolarHBondContact CB-O 3.36Å |
| 214 | V | 93.5 | Very high | 91.7 | Very high | 70 Ų | 70 | 48.2 Ų | 48.2 | 42% | 0.424 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.9 | -42.7 | -175.7 | 177.3 | 0 | 0 | 0 | 0 | 110 | F210 C216 M217 V218 | F210-V214 HydrophobicContact CB-CB 4.31Å; F210-V214 HydrophobicContact CB-CG1 4.31Å; V214-C216 VanDerWaalsContact C-N 3.34Å; V214-C216 PolarHBondContact O-N 3.25Å; V214-M217 PolarHBondContact O-N 2.6Å; V214-V218 HydrophobicContact CG1-CG2 4.21Å; V214-V218 WeakPolarHBondContact O-CG2 3.43Å; V214-V218 PolarHBondContact O-N 3.31Å |
| 215 | T | 93.9 | Very high | 92.1 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 179.1 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | L206 L207 G211 G219 L253 | L206-T215 HydrophobicContact CB-CG2 4.17Å; L206-T215 PolarHBondContact O-OG1 2.62Å; L207-T215 HydrophobicContact CD2-CG2 3.74Å; L207-T215 HydrophobicContact CG-CG2 3.94Å; G211-T215 WeakPolarHBondContact O-CB 3.27Å; G211-T215 PolarHBondContact O-N 2.91Å; G211-T215 PolarHBondContact O-OG1 3Å; T215-G219 PolarHBondContact O-N 3.2Å; T215-L253 HydrophobicContact CG2-CB 4.03Å; T215-L253 HydrophobicContact CG2-CD2 3.73Å; T215-L253 HydrophobicContact CG2-CG 4.42Å |
| 216 | C | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 174.8 | -170.2 | 0 | 0 | 0 | 0 | 112.4 | C212 R213 V214 G219 G220 C254 S257 G319 M322 | C212-C216 WeakPolarHBondContact O-CB 3.07Å; C212-C216 PolarHBondContact O-N 3.24Å; R213-C216 PolarHBondContact O-N 2.96Å; V214-C216 VanDerWaalsContact C-N 3.34Å; V214-C216 PolarHBondContact O-N 3.25Å; C216-G219 PolarHBondContact O-N 3.37Å; C216-G220 PolarHBondContact O-N 2.84Å; C216-C254 PolarHBondContact O-SG 3.39Å; C216-S257 VanDerWaalsContact CB-OG 3.26Å; C216-S257 WeakPolarHBondContact CB-OG 3.45Å; C216-G319 VanDerWaalsContact SG-CA 3.55Å; C216-M322 HydrophobicContact CB-CE 4.44Å; C216-M322 HydrophobicContact CB-SD 4Å |
| 217 | M | 96.4 | Very high | 92.8 | Very high | 62 Ų | 62 | 48 Ų | 48 | 31% | 0.305 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.6 | -41.6 | 179.2 | -68.2 | 175.4 | 76.1 | 0 | 0 | 111.9 | R213 V214 G220 L221 I316 A320 | R213-M217 HydrophobicContact CG-SD 4.34Å; R213-M217 VanDerWaalsContact O-CG 3.31Å; R213-M217 WeakPolarHBondContact O-CG 3.18Å; R213-M217 PolarHBondContact O-N 2.92Å; R213-M217 VanDerWaalsContact O-N 3.15Å; V214-M217 PolarHBondContact O-N 2.6Å; M217-G220 PolarHBondContact O-N 3.26Å; M217-L221 PolarHBondContact O-N 2.59Å; M217-L221 VanDerWaalsContact O-N 3.12Å; M217-I316 HydrophobicContact CB-CG2 4.28Å; M217-I316 HydrophobicContact CE-CG2 3.67Å; M217-I316 HydrophobicContact CG-CG2 4.13Å; M217-A320 HydrophobicContact SD-CB 4.37Å |
| 218 | V | 96.3 | Very high | 93.3 | Very high | 68 Ų | 68 | 52.1 Ų | 52.1 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 175.1 | 172 | 0 | 0 | 0 | 0 | 110.6 | V214 L221 I222 | V214-V218 HydrophobicContact CG1-CG2 4.21Å; V214-V218 WeakPolarHBondContact O-CG2 3.43Å; V214-V218 PolarHBondContact O-N 3.31Å; V218-L221 PolarHBondContact O-N 3.28Å; V218-I222 HydrophobicContact CG1-CD1 3.67Å; V218-I222 HydrophobicContact CG1-CG1 4.35Å; V218-I222 VanDerWaalsContact O-CG1 3.28Å; V218-I222 WeakPolarHBondContact O-CG1 3.45Å; V218-I222 PolarHBondContact O-N 3.23Å |
| 219 | G | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.4 | -48.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | T215 C216 L221 I222 S223 G250 C254 | T215-G219 PolarHBondContact O-N 3.2Å; C216-G219 PolarHBondContact O-N 3.37Å; G219-L221 VanDerWaalsContact C-N 3.31Å; G219-L221 PolarHBondContact O-N 3.4Å; G219-I222 PolarHBondContact O-N 3.42Å; G219-S223 PolarHBondContact O-N 2.99Å; G219-S223 PolarHBondContact O-OG 2.85Å; G219-G250 CarbonylContact C-O 3.59Å; G219-G250 WeakPolarHBondContact CA-O 3.34Å; G219-G250 WeakPolarHBondContact O-CA 3.2Å; G219-C254 VanDerWaalsContact CA-SG 3.6Å |
| 220 | G | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63 | -36.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | C216 M217 G224 C254 | C216-G220 PolarHBondContact O-N 2.84Å; M217-G220 PolarHBondContact O-N 3.26Å; G220-G224 PolarHBondContact O-N 3.04Å; G220-C254 PolarHBondContact N-SG 3.04Å |
| 221 | L | 97.3 | Very high | 94.8 | Very high | 82 Ų | 82 | 35.3 Ų | 35.3 | 43% | 0.429 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.8 | -46.1 | 173.4 | -176.5 | 66.4 | 0 | 0 | 0 | 111.8 | M217 V218 G219 G224 L225 L313 I316 | M217-L221 PolarHBondContact O-N 2.59Å; M217-L221 VanDerWaalsContact O-N 3.12Å; V218-L221 PolarHBondContact O-N 3.28Å; G219-L221 VanDerWaalsContact C-N 3.31Å; G219-L221 PolarHBondContact O-N 3.4Å; L221-G224 PolarHBondContact O-N 3.01Å; L221-L225 HydrophobicContact CD1-CD1 4.31Å; L221-L225 HydrophobicContact CD1-CG 4.42Å; L221-L225 HydrophobicContact CG-CD1 4.07Å; L221-L225 WeakPolarHBondContact O-CB 3.16Å; L221-L225 VanDerWaalsContact O-CG 3.26Å; L221-L225 WeakPolarHBondContact O-CG 3.28Å; L221-L225 PolarHBondContact O-N 3.4Å; L221-L313 HydrophobicContact CD1-CD2 4.06Å; L221-I316 HydrophobicContact CB-CD1 4.16Å; L221-I316 HydrophobicContact CD1-CD1 4.34Å |
| 222 | I | 97 | Very high | 95.2 | Very high | 50 Ų | 50 | 39.7 Ų | 39.7 | 26% | 0.256 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 178.7 | -69.2 | 168.6 | 0 | 0 | 0 | 110.6 | V218 G219 L225 G226 L246 L253 | V218-I222 HydrophobicContact CG1-CD1 3.67Å; V218-I222 HydrophobicContact CG1-CG1 4.35Å; V218-I222 VanDerWaalsContact O-CG1 3.28Å; V218-I222 WeakPolarHBondContact O-CG1 3.45Å; V218-I222 PolarHBondContact O-N 3.23Å; G219-I222 PolarHBondContact O-N 3.42Å; I222-L225 PolarHBondContact O-N 2.9Å; I222-G226 PolarHBondContact O-N 3.39Å; I222-L246 HydrophobicContact CG2-CD1 3.72Å; I222-L246 HydrophobicContact CG2-CG 4.25Å; I222-L246 WeakPolarHBondContact CG2-O 3.3Å; I222-L253 HydrophobicContact CD1-CD1 4.01Å |
| 223 | S | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.2 | -44 | 176.2 | -67.2 | 0 | 0 | 0 | 0 | 112.9 | G219 L225 G226 C227 S247 G250 A251 | G219-S223 PolarHBondContact O-N 2.99Å; G219-S223 PolarHBondContact O-OG 2.85Å; S223-L225 PolarHBondContact O-N 3.41Å; S223-G226 PolarHBondContact O-N 2.95Å; S223-C227 WeakPolarHBondContact O-CB 3.24Å; S223-C227 PolarHBondContact O-N 2.97Å; S223-S247 PolarHBondContact O-OG 3.31Å; S223-S247 PolarHBondContact OG-O 3.31Å; S223-G250 WeakPolarHBondContact OG-CA 3.27Å; S223-A251 PolarHBondContact OG-N 3.42Å |
| 224 | G | 96.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.7 | -46.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G220 L221 C227 F228 S309 | G220-G224 PolarHBondContact O-N 3.04Å; L221-G224 PolarHBondContact O-N 3.01Å; G224-C227 PolarHBondContact O-N 3.21Å; G224-F228 VanDerWaalsContact O-CB 3.23Å; G224-F228 WeakPolarHBondContact O-CB 3.33Å; G224-F228 PolarHBondContact O-N 2.82Å; G224-S309 WeakPolarHBondContact O-CB 3.39Å |
| 225 | L | 96.7 | Very high | 95 | Very high | 96 Ų | 96 | 38.6 Ų | 38.6 | 50% | 0.503 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66 | -39.3 | 177.4 | -70.5 | 173.6 | 0 | 0 | 0 | 112.7 | L221 I222 S223 F228 A229 | L221-L225 HydrophobicContact CD1-CD1 4.31Å; L221-L225 HydrophobicContact CD1-CG 4.42Å; L221-L225 HydrophobicContact CG-CD1 4.07Å; L221-L225 WeakPolarHBondContact O-CB 3.16Å; L221-L225 VanDerWaalsContact O-CG 3.26Å; L221-L225 WeakPolarHBondContact O-CG 3.28Å; L221-L225 PolarHBondContact O-N 3.4Å; I222-L225 PolarHBondContact O-N 2.9Å; S223-L225 PolarHBondContact O-N 3.41Å; L225-F228 PolarHBondContact O-N 2.98Å; L225-A229 WeakPolarHBondContact O-CB 3.31Å; L225-A229 PolarHBondContact O-N 2.83Å |
| 226 | G | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I222 S223 A229 G230 S242 | I222-G226 PolarHBondContact O-N 3.39Å; S223-G226 PolarHBondContact O-N 2.95Å; G226-A229 PolarHBondContact O-N 2.93Å; G226-G230 PolarHBondContact O-N 3.33Å; G226-S242 CarbonylContact C-O 3.6Å; G226-S242 WeakPolarHBondContact CA-O 3.36Å; G226-S242 CarbonylContact O-C 3.43Å |
| 227 | C | 95.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 175.9 | -169.2 | 0 | 0 | 0 | 0 | 112.2 | S223 G224 G230 A231 F243 M305 F312 | S223-C227 WeakPolarHBondContact O-CB 3.24Å; S223-C227 PolarHBondContact O-N 2.97Å; G224-C227 PolarHBondContact O-N 3.21Å; C227-G230 WeakPolarHBondContact O-CA 3.41Å; C227-G230 PolarHBondContact O-N 2.99Å; C227-G230 VanDerWaalsContact O-N 3.16Å; C227-A231 PolarHBondContact O-N 2.99Å; C227-F243 HydrophobicContact CB-CD2 4.36Å; C227-M305 PolarHBondContact SG-O 3.5Å; C227-F312 HydrophobicContact CB-CD2 3.69Å; C227-F312 HydrophobicContact CB-CE2 3.87Å |
| 228 | F | 96.7 | Very high | 94.3 | Very high | 94 Ų | 94 | 44 Ų | 44 | 41% | 0.412 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 177.3 | -174.5 | -103.5 | 0 | 0 | 0 | 111.9 | G224 L225 G230 A231 F232 M306 | G224-F228 VanDerWaalsContact O-CB 3.23Å; G224-F228 WeakPolarHBondContact O-CB 3.33Å; G224-F228 PolarHBondContact O-N 2.82Å; L225-F228 PolarHBondContact O-N 2.98Å; F228-G230 PolarHBondContact O-N 3.07Å; F228-A231 WeakPolarHBondContact O-CB 3.36Å; F228-A231 PolarHBondContact O-N 3.18Å; F228-A231 VanDerWaalsContact O-N 3.13Å; F228-F232 HydrophobicContact CD1-CE2 4.04Å; F228-F232 HydrophobicContact CE1-CD2 4.5Å; F228-F232 AromaticContact CE1-CE2 3.57Å; F228-F232 HydrophobicContact CE1-CE2 3.57Å; F228-F232 HydrophobicContact CE1-CZ 4.27Å; F228-F232 HydrophobicContact CE2-CE2 4.09Å; F228-F232 HydrophobicContact CE2-CZ 4.47Å; F228-F232 HydrophobicContact CG-CE2 4.5Å; F228-F232 AromaticContact CZ-CE2 3.59Å; F228-F232 HydrophobicContact CZ-CE2 3.59Å; F228-F232 AromaticContact CZ-CZ 3.93Å; F228-F232 HydrophobicContact CZ-CZ 3.93Å; F228-F232 WeakPolarHBondContact O-CD2 3.19Å; F228-M306 HydrophobicContact CD2-CG 4.39Å; F228-M306 HydrophobicContact CE2-CG 4.29Å |
| 229 | A | 95.6 | Very high | 94.1 | Very high | 41 Ų | 41 | 40.8 Ų | 40.8 | 34% | 0.339 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.3 | -34.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L225 G226 A231 F232 T233 | L225-A229 WeakPolarHBondContact O-CB 3.31Å; L225-A229 PolarHBondContact O-N 2.83Å; G226-A229 PolarHBondContact O-N 2.93Å; A229-A231 PolarHBondContact O-N 3.25Å; A229-F232 PolarHBondContact O-N 3.1Å; A229-T233 WeakPolarHBondContact O-CG2 3.41Å |
| 230 | G | 93.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.5 | -33.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G226 C227 F228 F232 T233 S242 | G226-G230 PolarHBondContact O-N 3.33Å; C227-G230 WeakPolarHBondContact O-CA 3.41Å; C227-G230 PolarHBondContact O-N 2.99Å; C227-G230 VanDerWaalsContact O-N 3.16Å; F228-G230 PolarHBondContact O-N 3.07Å; G230-F232 PolarHBondContact O-N 3.04Å; G230-T233 PolarHBondContact O-N 3.33Å; G230-T233 PolarHBondContact O-OG1 3.46Å; G230-S242 WeakPolarHBondContact CA-OG 3.47Å |
| 231 | A | 93.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | C227 F228 A229 M305 M306 | C227-A231 PolarHBondContact O-N 2.99Å; F228-A231 WeakPolarHBondContact O-CB 3.36Å; F228-A231 PolarHBondContact O-N 3.18Å; F228-A231 VanDerWaalsContact O-N 3.13Å; A229-A231 PolarHBondContact O-N 3.25Å; A231-M305 HydrophobicContact CB-CB 3.98Å; A231-M306 HydrophobicContact CB-CE 3.8Å; A231-M306 HydrophobicContact CB-CG 3.57Å |
| 232 | F | 93.8 | Very high | 93.7 | Very high | 120 Ų | 120 | 44.5 Ų | 44.5 | 53% | 0.526 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 4.4 | -176.9 | -59 | -81.2 | 0 | 0 | 0 | 113.7 | F228 A229 G230 M306 | F228-F232 HydrophobicContact CD1-CE2 4.04Å; F228-F232 HydrophobicContact CE1-CD2 4.5Å; F228-F232 AromaticContact CE1-CE2 3.57Å; F228-F232 HydrophobicContact CE1-CE2 3.57Å; F228-F232 HydrophobicContact CE1-CZ 4.27Å; F228-F232 HydrophobicContact CE2-CE2 4.09Å; F228-F232 HydrophobicContact CE2-CZ 4.47Å; F228-F232 HydrophobicContact CG-CE2 4.5Å; F228-F232 AromaticContact CZ-CE2 3.59Å; F228-F232 HydrophobicContact CZ-CE2 3.59Å; F228-F232 AromaticContact CZ-CZ 3.93Å; F228-F232 HydrophobicContact CZ-CZ 3.93Å; F228-F232 WeakPolarHBondContact O-CD2 3.19Å; A229-F232 PolarHBondContact O-N 3.1Å; G230-F232 PolarHBondContact O-N 3.04Å; F232-M306 HydrophobicContact CE1-CE 3.75Å; F232-M306 HydrophobicContact CE2-CE 4.03Å; F232-M306 HydrophobicContact CZ-CE 3.46Å; F232-M306 VanDerWaalsContact CZ-CE 3.46Å |
| 233 | T | 92.6 | Very high | 93.6 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.043 | 22% | 0.224 | C | C | . | . | trans | -78.7 | 136.4 | -176.6 | 61.1 | 0 | 0 | 0 | 0 | 111.9 | A229 G230 S238 M239 S242 | A229-T233 WeakPolarHBondContact O-CG2 3.41Å; G230-T233 PolarHBondContact O-N 3.33Å; G230-T233 PolarHBondContact O-OG1 3.46Å; T233-S238 WeakPolarHBondContact CG2-OG 3.39Å; T233-M239 PolarHBondContact OG1-SD 2.94Å; T233-M239 VanDerWaalsContact OG1-SD 3.38Å; T233-S242 WeakPolarHBondContact CG2-OG 3.09Å | ||
| 234 | N | 89 | Confident | 93.4 | Very high | 130 Ų | 130 | 42.2 Ų | 42.2 | 70% | 0.695 | 22% | 0.224 | S | C | * | . | trans | -110.6 | 17.4 | 179.1 | -60.4 | -46.6 | 0 | 0 | 0 | 112.9 | ||||
| 235 | S | 90.6 | Very high | 93.3 | Very high | 52 Ų | 52 | 44.3 Ų | 44.3 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -153.5 | 145.1 | 177.6 | 171.5 | 0 | 0 | 0 | 0 | 109.9 | I237 S238 M239 | S235-I237 VanDerWaalsContact C-N 3.29Å; S235-I237 PolarHBondContact O-N 3.45Å; S235-I237 PolarHBondContact OG-N 3.44Å; S235-S238 WeakPolarHBondContact O-CB 3.25Å; S235-S238 PolarHBondContact O-N 3.24Å; S235-S238 VanDerWaalsContact O-N 3.13Å; S235-M239 PolarHBondContact O-N 3.18Å |
| 236 | I | 88.7 | Confident | 93.2 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.4 | -43.5 | 175.3 | -66.7 | -166.7 | 0 | 0 | 0 | 111.6 | F178 D180 A184 T185 I188 S238 M239 V240 | F178-I236 HydrophobicContact CB-CD1 4.17Å; F178-I236 HydrophobicContact CB-CG1 3.96Å; F178-I236 HydrophobicContact CD2-CG1 3.87Å; F178-I236 HydrophobicContact CG-CG1 3.89Å; D180-I236 HydrophobicContact CB-CD1 3.29Å; D180-I236 HydrophobicContact CB-CG1 4.36Å; D180-I236 VanDerWaalsContact OD2-CD1 3.22Å; D180-I236 WeakPolarHBondContact OD2-CD1 3.47Å; D180-I236 WeakPolarHBondContact OD2-CG1 3.37Å; A184-I236 HydrophobicContact CB-CD1 4.19Å; T185-I236 WeakPolarHBondContact OG1-CD1 3.42Å; I188-I236 HydrophobicContact CD1-CG2 4.09Å; I188-I236 HydrophobicContact CG1-CG2 4.28Å; I236-S238 VanDerWaalsContact C-N 3.3Å; I236-S238 PolarHBondContact O-N 3.2Å; I236-M239 CarbonylContact O-C 3.58Å; I236-M239 WeakPolarHBondContact O-CA 3.23Å; I236-M239 WeakPolarHBondContact O-CB 3.48Å; I236-M239 PolarHBondContact O-N 2.89Å; I236-V240 HydrophobicContact CG2-CG2 4.4Å; I236-V240 WeakPolarHBondContact O-CG2 3.33Å; I236-V240 PolarHBondContact O-N 3.48Å |
| 237 | I | 91 | Very high | 93.2 | Very high | 115 Ų | 115 | 43.2 Ų | 43.2 | 59% | 0.59 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62 | -43.1 | 179.9 | -66.1 | 161.5 | 0 | 0 | 0 | 110.3 | S235 M239 V240 F241 | S235-I237 VanDerWaalsContact C-N 3.29Å; S235-I237 PolarHBondContact O-N 3.45Å; S235-I237 PolarHBondContact OG-N 3.44Å; I237-M239 VanDerWaalsContact C-N 3.25Å; I237-M239 PolarHBondContact O-N 2.83Å; I237-V240 PolarHBondContact O-N 3.33Å; I237-F241 HydrophobicContact CG2-CD2 3.91Å; I237-F241 HydrophobicContact CG2-CE2 3.65Å; I237-F241 WeakPolarHBondContact O-CD2 3.36Å; I237-F241 PolarHBondContact O-N 3.1Å; I237-F241 VanDerWaalsContact O-N 3.11Å |
| 238 | S | 92.7 | Very high | 93.1 | Very high | 55 Ų | 55 | 43.3 Ų | 43.3 | 39% | 0.385 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.6 | -35.7 | 176.2 | -173.1 | 0 | 0 | 0 | 0 | 111.7 | T233 S235 I236 F241 S242 | T233-S238 WeakPolarHBondContact CG2-OG 3.39Å; S235-S238 WeakPolarHBondContact O-CB 3.25Å; S235-S238 PolarHBondContact O-N 3.24Å; S235-S238 VanDerWaalsContact O-N 3.13Å; I236-S238 VanDerWaalsContact C-N 3.3Å; I236-S238 PolarHBondContact O-N 3.2Å; S238-F241 PolarHBondContact O-N 3.11Å; S238-S242 PolarHBondContact O-N 3.49Å; S238-S242 VanDerWaalsContact O-N 3.14Å; S238-S242 PolarHBondContact O-OG 3.39Å; S238-S242 VanDerWaalsContact O-OG 3.1Å |
| 239 | M | 92.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.5 | -37.6 | 176.2 | -170.9 | 63.4 | 153.7 | 0 | 0 | 112.2 | L174 I188 T233 S235 I236 I237 F241 S242 F243 G244 W301 M305 | L174-M239 HydrophobicContact CD2-CE 4.31Å; I188-M239 HydrophobicContact CD1-CB 3.95Å; I188-M239 HydrophobicContact CD1-CG 3.63Å; I188-M239 HydrophobicContact CG1-CB 4.33Å; I188-M239 HydrophobicContact CG1-CG 4.12Å; I188-M239 HydrophobicContact CG2-CG 4.04Å; T233-M239 PolarHBondContact OG1-SD 2.94Å; T233-M239 VanDerWaalsContact OG1-SD 3.38Å; S235-M239 PolarHBondContact O-N 3.18Å; I236-M239 CarbonylContact O-C 3.58Å; I236-M239 WeakPolarHBondContact O-CA 3.23Å; I236-M239 WeakPolarHBondContact O-CB 3.48Å; I236-M239 PolarHBondContact O-N 2.89Å; I237-M239 VanDerWaalsContact C-N 3.25Å; I237-M239 PolarHBondContact O-N 2.83Å; M239-F241 VanDerWaalsContact C-N 3.32Å; M239-F241 PolarHBondContact O-N 3.36Å; M239-S242 WeakPolarHBondContact CA-OG 3.28Å; M239-S242 PolarHBondContact O-N 3.39Å; M239-S242 PolarHBondContact O-OG 3.07Å; M239-F243 HydrophobicContact CE-CB 4.43Å; M239-F243 PolarHBondContact O-N 2.97Å; M239-F243 HydrophobicContact SD-CB 4.06Å; M239-G244 PolarHBondContact O-N 3.44Å; M239-W301 HydrophobicContact CE-CZ3 4.41Å; M239-M305 HydrophobicContact CE-CE 3.35Å; M239-M305 HydrophobicContact CE-CG 4.41Å; M239-M305 HydrophobicContact CE-SD 4.16Å; M239-M305 HydrophobicContact SD-CE 4.14Å |
| 240 | V | 92 | Very high | 93.1 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 11% | 0.109 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -60.7 | -41.8 | 172.7 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | W187 I188 F191 I236 I237 G244 I245 | W187-V240 HydrophobicContact CB-CG2 4.43Å; I188-V240 HydrophobicContact CB-CG2 4.4Å; I188-V240 HydrophobicContact CG1-CG2 3.58Å; F191-V240 HydrophobicContact CB-CG1 4.44Å; F191-V240 HydrophobicContact CD2-CG1 3.55Å; F191-V240 HydrophobicContact CE2-CG1 4.02Å; F191-V240 HydrophobicContact CG-CG1 4.07Å; I236-V240 HydrophobicContact CG2-CG2 4.4Å; I236-V240 WeakPolarHBondContact O-CG2 3.33Å; I236-V240 PolarHBondContact O-N 3.48Å; I237-V240 PolarHBondContact O-N 3.33Å; V240-G244 CarbonylContact O-C 3.52Å; V240-G244 WeakPolarHBondContact O-CA 3.36Å; V240-G244 PolarHBondContact O-N 2.91Å; V240-G244 VanDerWaalsContact O-N 3.09Å; V240-I245 PolarHBondContact O-N 3.11Å |
| 241 | F | 94.6 | Very high | 93.2 | Very high | 132 Ų | 132 | 39.8 Ų | 39.8 | 58% | 0.579 | 21% | 0.209 | S | C | * | . | I | π-helix | trans | -67.9 | -40.6 | 177.7 | -79.9 | -69.9 | 0 | 0 | 0 | 113.2 | I237 S238 M239 I245 L246 | I237-F241 HydrophobicContact CG2-CD2 3.91Å; I237-F241 HydrophobicContact CG2-CE2 3.65Å; I237-F241 WeakPolarHBondContact O-CD2 3.36Å; I237-F241 PolarHBondContact O-N 3.1Å; I237-F241 VanDerWaalsContact O-N 3.11Å; S238-F241 PolarHBondContact O-N 3.11Å; M239-F241 VanDerWaalsContact C-N 3.32Å; M239-F241 PolarHBondContact O-N 3.36Å; F241-I245 HydrophobicContact CD1-CD1 3.79Å; F241-I245 HydrophobicContact CE1-CD1 3.97Å; F241-L246 WeakPolarHBondContact O-CB 3.47Å; F241-L246 PolarHBondContact O-N 2.98Å |
| 242 | S | 95 | Very high | 93.2 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -79.8 | -62.4 | -177.5 | 57.2 | 0 | 0 | 0 | 0 | 112.7 | G226 G230 T233 S238 M239 L246 S247 | G226-S242 CarbonylContact C-O 3.6Å; G226-S242 WeakPolarHBondContact CA-O 3.36Å; G226-S242 CarbonylContact O-C 3.43Å; G230-S242 WeakPolarHBondContact CA-OG 3.47Å; T233-S242 WeakPolarHBondContact CG2-OG 3.09Å; S238-S242 PolarHBondContact O-N 3.49Å; S238-S242 VanDerWaalsContact O-N 3.14Å; S238-S242 PolarHBondContact O-OG 3.39Å; S238-S242 VanDerWaalsContact O-OG 3.1Å; M239-S242 WeakPolarHBondContact CA-OG 3.28Å; M239-S242 PolarHBondContact O-N 3.39Å; M239-S242 PolarHBondContact O-OG 3.07Å; S242-L246 WeakPolarHBondContact O-CB 3.47Å; S242-S247 PolarHBondContact O-N 3.27Å |
| 243 | F | 93.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -85.1 | -32.5 | -176.2 | -175.2 | -100.5 | 0 | 0 | 0 | 113 | V163 F167 I188 S192 C227 M239 S247 M305 | V163-F243 HydrophobicContact CG1-CE2 4.35Å; V163-F243 HydrophobicContact CG1-CZ 4.34Å; F167-F243 HydrophobicContact CB-CE1 4.32Å; F167-F243 AromaticContact CD2-CD1 3.93Å; F167-F243 HydrophobicContact CD2-CD1 3.93Å; F167-F243 AromaticContact CD2-CE1 3.34Å; F167-F243 HydrophobicContact CD2-CE1 3.34Å; F167-F243 HydrophobicContact CD2-CZ 4.15Å; F167-F243 HydrophobicContact CE2-CD1 4.09Å; F167-F243 AromaticContact CE2-CE1 3.98Å; F167-F243 HydrophobicContact CE2-CE1 3.98Å; F167-F243 HydrophobicContact CG-CE1 4.05Å; I188-F243 HydrophobicContact CG2-CB 4.5Å; I188-F243 HydrophobicContact CG2-CD1 3.73Å; S192-F243 WeakPolarHBondContact OG-CD1 3.16Å; S192-F243 VanDerWaalsContact OG-CE1 3.25Å; S192-F243 WeakPolarHBondContact OG-CE1 3.49Å; S192-F243 PolarHBondContact OG-O 2.97Å; C227-F243 HydrophobicContact CB-CD2 4.36Å; M239-F243 HydrophobicContact CE-CB 4.43Å; M239-F243 PolarHBondContact O-N 2.97Å; M239-F243 HydrophobicContact SD-CB 4.06Å; F243-S247 VanDerWaalsContact O-CB 3.24Å; F243-S247 WeakPolarHBondContact O-CB 3.31Å; F243-M305 HydrophobicContact CB-CE 3.84Å; F243-M305 HydrophobicContact CD1-CE 4.48Å; F243-M305 HydrophobicContact CD2-CE 3.27Å; F243-M305 HydrophobicContact CD2-SD 4.18Å; F243-M305 HydrophobicContact CE2-CE 3.9Å; F243-M305 HydrophobicContact CE2-SD 4.21Å; F243-M305 HydrophobicContact CG-CE 3.61Å |
| 244 | G | 91.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -70.6 | -69.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S192 M239 V240 G248 | S192-G244 WeakPolarHBondContact OG-CA 3.42Å; M239-G244 PolarHBondContact O-N 3.44Å; V240-G244 CarbonylContact O-C 3.52Å; V240-G244 WeakPolarHBondContact O-CA 3.36Å; V240-G244 PolarHBondContact O-N 2.91Å; V240-G244 VanDerWaalsContact O-N 3.09Å; G244-G248 WeakPolarHBondContact O-CA 3.48Å; G244-G248 PolarHBondContact O-N 3.15Å |
| 245 | I | 94.4 | Very high | 93.7 | Very high | 46 Ų | 46 | 29 Ų | 29 | 24% | 0.236 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -81.8 | -56.8 | -170 | -61.1 | 170.6 | 0 | 0 | 0 | 111.6 | F191 I195 V240 F241 G248 L249 | F191-I245 HydrophobicContact CD1-CG1 4.42Å; I195-I245 HydrophobicContact CG1-CG1 4.43Å; V240-I245 PolarHBondContact O-N 3.11Å; F241-I245 HydrophobicContact CD1-CD1 3.79Å; F241-I245 HydrophobicContact CE1-CD1 3.97Å; I245-G248 PolarHBondContact O-N 3.12Å; I245-L249 HydrophobicContact CG2-CD1 3.99Å; I245-L249 HydrophobicContact CG2-CG 4.34Å; I245-L249 WeakPolarHBondContact O-CB 3.34Å; I245-L249 VanDerWaalsContact O-CG 3.26Å; I245-L249 WeakPolarHBondContact O-CG 3.44Å; I245-L249 PolarHBondContact O-N 3.11Å |
| 246 | L | 95.7 | Very high | 93.8 | Very high | 70 Ų | 70 | 26.5 Ų | 26.5 | 37% | 0.366 | 14% | 0.139 | S | C | . | . | I | π-helix | trans | -65.6 | -45.4 | -173.3 | -176.4 | 63 | 0 | 0 | 0 | 111.4 | I222 F241 S242 L249 G250 | I222-L246 HydrophobicContact CG2-CD1 3.72Å; I222-L246 HydrophobicContact CG2-CG 4.25Å; I222-L246 WeakPolarHBondContact CG2-O 3.3Å; F241-L246 WeakPolarHBondContact O-CB 3.47Å; F241-L246 PolarHBondContact O-N 2.98Å; S242-L246 WeakPolarHBondContact O-CB 3.47Å; L246-L249 PolarHBondContact O-N 2.82Å; L246-G250 PolarHBondContact O-N 2.9Å |
| 247 | S | 94.9 | Very high | 94 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.9 | -41.5 | 174.8 | -163.4 | 0 | 0 | 0 | 0 | 112.8 | S223 S242 F243 L249 G250 A251 | S223-S247 PolarHBondContact O-OG 3.31Å; S223-S247 PolarHBondContact OG-O 3.31Å; S242-S247 PolarHBondContact O-N 3.27Å; F243-S247 VanDerWaalsContact O-CB 3.24Å; F243-S247 WeakPolarHBondContact O-CB 3.31Å; S247-L249 PolarHBondContact O-N 3.39Å; S247-G250 PolarHBondContact O-N 3.16Å; S247-A251 WeakPolarHBondContact O-CB 3.12Å; S247-A251 PolarHBondContact O-N 3.26Å |
| 248 | G | 93.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.7 | -38 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | G244 I245 A251 S252 | G244-G248 WeakPolarHBondContact O-CA 3.48Å; G244-G248 PolarHBondContact O-N 3.15Å; I245-G248 PolarHBondContact O-N 3.12Å; G248-A251 PolarHBondContact O-N 3.13Å; G248-S252 PolarHBondContact O-N 2.87Å |
| 249 | L | 95.6 | Very high | 94.2 | Very high | 60 Ų | 60 | 18.1 Ų | 18.1 | 31% | 0.314 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -63.9 | -43.5 | 174.3 | -75 | 175.2 | 0 | 0 | 0 | 111.6 | I195 A199 I245 L246 S247 A251 S252 L253 | I195-L249 HydrophobicContact CG2-CD2 3.87Å; I195-L249 HydrophobicContact CG2-CG 3.91Å; A199-L249 HydrophobicContact CB-CD2 3.56Å; I245-L249 HydrophobicContact CG2-CD1 3.99Å; I245-L249 HydrophobicContact CG2-CG 4.34Å; I245-L249 WeakPolarHBondContact O-CB 3.34Å; I245-L249 VanDerWaalsContact O-CG 3.26Å; I245-L249 WeakPolarHBondContact O-CG 3.44Å; I245-L249 PolarHBondContact O-N 3.11Å; L246-L249 PolarHBondContact O-N 2.82Å; S247-L249 PolarHBondContact O-N 3.39Å; L249-A251 VanDerWaalsContact C-N 3.33Å; L249-S252 WeakPolarHBondContact O-CB 3.44Å; L249-S252 PolarHBondContact O-N 3.04Å; L249-L253 PolarHBondContact O-N 3.23Å |
| 250 | G | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.3 | -40.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G219 S223 L246 S247 S252 L253 C254 | G219-G250 CarbonylContact C-O 3.59Å; G219-G250 WeakPolarHBondContact CA-O 3.34Å; G219-G250 WeakPolarHBondContact O-CA 3.2Å; S223-G250 WeakPolarHBondContact OG-CA 3.27Å; L246-G250 PolarHBondContact O-N 2.9Å; S247-G250 PolarHBondContact O-N 3.16Å; G250-S252 VanDerWaalsContact C-N 3.34Å; G250-S252 PolarHBondContact O-N 2.82Å; G250-L253 WeakPolarHBondContact O-CB 3.25Å; G250-L253 PolarHBondContact O-N 3.09Å; G250-C254 PolarHBondContact O-N 3.41Å |
| 251 | A | 94.9 | Very high | 94 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.008 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.7 | -38 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | T160 I164 P196 S223 S247 G248 L249 L253 C254 I255 | T160-A251 HydrophobicContact CG2-CB 4.25Å; I164-A251 HydrophobicContact CD1-CB 4.29Å; P196-A251 HydrophobicContact CG-CB 4.14Å; S223-A251 PolarHBondContact OG-N 3.42Å; S247-A251 WeakPolarHBondContact O-CB 3.12Å; S247-A251 PolarHBondContact O-N 3.26Å; G248-A251 PolarHBondContact O-N 3.13Å; L249-A251 VanDerWaalsContact C-N 3.33Å; A251-L253 VanDerWaalsContact C-N 3.31Å; A251-L253 PolarHBondContact O-N 3.18Å; A251-C254 PolarHBondContact O-N 3.36Å; A251-I255 WeakPolarHBondContact O-CB 3.41Å; A251-I255 WeakPolarHBondContact O-CG1 3.45Å; A251-I255 PolarHBondContact O-N 2.99Å |
| 252 | S | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -53.3 | -47.1 | 172.4 | -167 | 0 | 0 | 0 | 0 | 112.4 | P196 A199 A200 S203 G248 L249 G250 C254 T256 | P196-S252 VanDerWaalsContact O-CB 3.29Å; P196-S252 WeakPolarHBondContact O-CB 3.35Å; P196-S252 PolarHBondContact O-OG 2.95Å; A199-S252 PolarHBondContact O-OG 3.34Å; A200-S252 PolarHBondContact N-OG 3.24Å; S203-S252 WeakPolarHBondContact OG-CB 3.13Å; S203-S252 PolarHBondContact OG-O 2.6Å; S203-S252 PolarHBondContact OG-OG 2.69Å; G248-S252 PolarHBondContact O-N 2.87Å; L249-S252 WeakPolarHBondContact O-CB 3.44Å; L249-S252 PolarHBondContact O-N 3.04Å; G250-S252 VanDerWaalsContact C-N 3.34Å; G250-S252 PolarHBondContact O-N 2.82Å; S252-C254 VanDerWaalsContact C-N 3.31Å; S252-C254 PolarHBondContact O-N 2.91Å; S252-T256 VanDerWaalsContact O-CB 3.3Å; S252-T256 WeakPolarHBondContact O-CB 3.47Å; S252-T256 PolarHBondContact O-N 3.05Å; S252-T256 PolarHBondContact O-OG1 2.75Å |
| 253 | L | 95.2 | Very high | 93.6 | Very high | 12 Ų | 12 | 10.9 Ų | 10.9 | 6% | 0.063 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.7 | -42.2 | -178.2 | -65.9 | 171.1 | 0 | 0 | 0 | 110.8 | S203 L206 T215 I222 L249 G250 A251 S257 | S203-L253 WeakPolarHBondContact OG-CD2 3.49Å; S203-L253 PolarHBondContact OG-N 2.76Å; L206-L253 HydrophobicContact CB-CD2 4.26Å; L206-L253 HydrophobicContact CD1-CD2 3.48Å; L206-L253 VanDerWaalsContact CD1-CD2 3.48Å; L206-L253 HydrophobicContact CG-CD2 4.49Å; T215-L253 HydrophobicContact CG2-CB 4.03Å; T215-L253 HydrophobicContact CG2-CD2 3.73Å; T215-L253 HydrophobicContact CG2-CG 4.42Å; I222-L253 HydrophobicContact CD1-CD1 4.01Å; L249-L253 PolarHBondContact O-N 3.23Å; G250-L253 WeakPolarHBondContact O-CB 3.25Å; G250-L253 PolarHBondContact O-N 3.09Å; A251-L253 VanDerWaalsContact C-N 3.31Å; A251-L253 PolarHBondContact O-N 3.18Å; L253-S257 WeakPolarHBondContact O-CB 3.26Å; L253-S257 PolarHBondContact O-N 3.3Å; L253-S257 PolarHBondContact O-OG 3.28Å |
| 254 | C | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -71.1 | -50.5 | 179.8 | -66.1 | 0 | 0 | 0 | 0 | 112.7 | V156 T160 C216 G219 G220 G250 A251 S252 T256 S257 A258 M315 | V156-C254 HydrophobicContact CG1-CB 3.89Å; T160-C254 HydrophobicContact CG2-CB 4.44Å; C216-C254 PolarHBondContact O-SG 3.39Å; G219-C254 VanDerWaalsContact CA-SG 3.6Å; G220-C254 PolarHBondContact N-SG 3.04Å; G250-C254 PolarHBondContact O-N 3.41Å; A251-C254 PolarHBondContact O-N 3.36Å; S252-C254 VanDerWaalsContact C-N 3.31Å; S252-C254 PolarHBondContact O-N 2.91Å; C254-T256 PolarHBondContact O-N 3.09Å; C254-S257 WeakPolarHBondContact CA-OG 3.22Å; C254-S257 PolarHBondContact O-N 3.14Å; C254-S257 PolarHBondContact O-OG 3.06Å; C254-A258 WeakPolarHBondContact O-CB 3.39Å; C254-A258 PolarHBondContact O-N 2.99Å; C254-M315 HydrophobicContact CB-CE 3.21Å; C254-M315 WeakPolarHBondContact SG-CE 2.99Å |
| 255 | I | 94.2 | Very high | 93 | Very high | 19 Ų | 19 | 15.1 Ų | 15.1 | 10% | 0.097 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.4 | -48.7 | 179.6 | -69.6 | 167.3 | 0 | 0 | 0 | 110.4 | T160 P196 A251 S257 A258 L259 F815 | T160-I255 HydrophobicContact CG2-CG1 4.36Å; P196-I255 HydrophobicContact CB-CD1 4.27Å; A251-I255 WeakPolarHBondContact O-CB 3.41Å; A251-I255 WeakPolarHBondContact O-CG1 3.45Å; A251-I255 PolarHBondContact O-N 2.99Å; I255-S257 VanDerWaalsContact C-N 3.34Å; I255-S257 PolarHBondContact O-N 3.49Å; I255-A258 PolarHBondContact O-N 3.18Å; I255-L259 HydrophobicContact CG2-CD1 4.07Å; I255-L259 WeakPolarHBondContact O-CG 3.44Å; I255-L259 PolarHBondContact O-N 3.11Å; I255-L259 VanDerWaalsContact O-N 3.08Å; I255-F815 HydrophobicContact CG2-CE2 4.49Å |
| 256 | T | 92.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.006 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.7 | -41.2 | 179.5 | -47.2 | 0 | 0 | 0 | 0 | 111 | S203 L207 S252 C254 A258 V260 L811 | S203-T256 WeakPolarHBondContact CB-OG1 3.13Å; L207-T256 HydrophobicContact CD1-CG2 3.51Å; S252-T256 VanDerWaalsContact O-CB 3.3Å; S252-T256 WeakPolarHBondContact O-CB 3.47Å; S252-T256 PolarHBondContact O-N 3.05Å; S252-T256 PolarHBondContact O-OG1 2.75Å; C254-T256 PolarHBondContact O-N 3.09Å; T256-A258 VanDerWaalsContact C-N 3.33Å; T256-A258 PolarHBondContact O-N 3.39Å; T256-V260 HydrophobicContact CG2-CG2 4.44Å; T256-V260 WeakPolarHBondContact O-CB 3.42Å; T256-V260 WeakPolarHBondContact O-CG2 3.37Å; T256-V260 PolarHBondContact O-N 3.41Å; T256-V260 VanDerWaalsContact O-N 3.15Å; T256-L811 HydrophobicContact CG2-CD2 4.21Å |
| 257 | S | 93.1 | Very high | 92 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.8 | -38.9 | 177.9 | 74 | 0 | 0 | 0 | 0 | 112.8 | C216 L253 C254 I255 V261 | C216-S257 VanDerWaalsContact CB-OG 3.26Å; C216-S257 WeakPolarHBondContact CB-OG 3.45Å; L253-S257 WeakPolarHBondContact O-CB 3.26Å; L253-S257 PolarHBondContact O-N 3.3Å; L253-S257 PolarHBondContact O-OG 3.28Å; C254-S257 WeakPolarHBondContact CA-OG 3.22Å; C254-S257 PolarHBondContact O-N 3.14Å; C254-S257 PolarHBondContact O-OG 3.06Å; I255-S257 VanDerWaalsContact C-N 3.34Å; I255-S257 PolarHBondContact O-N 3.49Å; S257-V261 WeakPolarHBondContact O-CB 3.34Å; S257-V261 WeakPolarHBondContact O-CG1 3.39Å; S257-V261 PolarHBondContact O-N 3.15Å |
| 258 | A | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.7 | -45.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T153 V156 C254 I255 T256 V261 V262 M322 | T153-A258 HydrophobicContact CG2-CB 3.79Å; V156-A258 HydrophobicContact CB-CB 4.48Å; V156-A258 HydrophobicContact CG1-CB 4.09Å; C254-A258 WeakPolarHBondContact O-CB 3.39Å; C254-A258 PolarHBondContact O-N 2.99Å; I255-A258 PolarHBondContact O-N 3.18Å; T256-A258 VanDerWaalsContact C-N 3.33Å; T256-A258 PolarHBondContact O-N 3.39Å; A258-V261 VanDerWaalsContact O-CG1 3.31Å; A258-V261 WeakPolarHBondContact O-CG1 3.45Å; A258-V262 WeakPolarHBondContact O-CG2 3.42Å; A258-V262 PolarHBondContact O-N 3.47Å; A258-M322 HydrophobicContact CB-CE 4.28Å |
| 259 | L | 92.6 | Very high | 91.2 | Very high | 5 Ų | 5 | 25.8 Ų | 25.8 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.7 | -43.3 | 178 | -68.6 | 169.9 | 0 | 0 | 0 | 112.7 | I255 S263 I278 T795 L811 F815 | I255-L259 HydrophobicContact CG2-CD1 4.07Å; I255-L259 WeakPolarHBondContact O-CG 3.44Å; I255-L259 PolarHBondContact O-N 3.11Å; I255-L259 VanDerWaalsContact O-N 3.08Å; L259-S263 PolarHBondContact O-N 3.26Å; L259-S263 PolarHBondContact O-OG 3.13Å; L259-I278 HydrophobicContact CD2-CD1 3.62Å; L259-I278 HydrophobicContact CD2-CG1 3.84Å; L259-T795 HydrophobicContact CD1-CG2 4.25Å; L259-T795 HydrophobicContact CD2-CG2 4.18Å; L259-L811 HydrophobicContact CB-CD2 4.23Å; L259-F815 HydrophobicContact CD1-CE2 3.45Å; L259-F815 VanDerWaalsContact CD1-CE2 3.45Å; L259-F815 HydrophobicContact CD1-CZ 3.43Å; L259-F815 VanDerWaalsContact CD1-CZ 3.43Å |
| 260 | V | 91.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.6 | -42.5 | -178.5 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | L207 T256 S263 M264 T808 L811 | L207-V260 HydrophobicContact CD1-CG2 4.35Å; T256-V260 HydrophobicContact CG2-CG2 4.44Å; T256-V260 WeakPolarHBondContact O-CB 3.42Å; T256-V260 WeakPolarHBondContact O-CG2 3.37Å; T256-V260 PolarHBondContact O-N 3.41Å; T256-V260 VanDerWaalsContact O-N 3.15Å; V260-S263 PolarHBondContact O-N 3.4Å; V260-M264 HydrophobicContact CG1-CE 3.5Å; V260-M264 VanDerWaalsContact CG1-CE 3.5Å; V260-M264 HydrophobicContact CG1-SD 4.08Å; V260-M264 WeakPolarHBondContact O-CG 3.36Å; V260-M264 PolarHBondContact O-N 3.43Å; V260-M264 VanDerWaalsContact O-N 3.11Å; V260-T808 HydrophobicContact CG1-CG2 3.76Å; V260-T808 HydrophobicContact CG2-CG2 3.94Å; V260-L811 HydrophobicContact CG2-CD2 3.82Å |
| 261 | V | 90.7 | Very high | 90.8 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.024 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.8 | -41.2 | -178 | 73.5 | 0 | 0 | 0 | 0 | 111.7 | V149 T153 C212 S257 A258 S263 M264 Y265 M322 | V149-V261 HydrophobicContact CG1-CB 4.38Å; V149-V261 HydrophobicContact CG1-CG1 3.61Å; V149-V261 HydrophobicContact CG1-CG2 3.92Å; T153-V261 HydrophobicContact CG2-CG1 3.71Å; C212-V261 HydrophobicContact CB-CB 4.29Å; S257-V261 WeakPolarHBondContact O-CB 3.34Å; S257-V261 WeakPolarHBondContact O-CG1 3.39Å; S257-V261 PolarHBondContact O-N 3.15Å; A258-V261 VanDerWaalsContact O-CG1 3.31Å; A258-V261 WeakPolarHBondContact O-CG1 3.45Å; V261-S263 VanDerWaalsContact C-N 3.3Å; V261-S263 PolarHBondContact O-N 3.23Å; V261-M264 PolarHBondContact O-N 3.13Å; V261-M264 VanDerWaalsContact O-N 3.12Å; V261-Y265 HydrophobicContact CG2-CD2 3.87Å; V261-Y265 HydrophobicContact CG2-CE2 3.69Å; V261-Y265 WeakPolarHBondContact O-CD2 3.37Å; V261-Y265 PolarHBondContact O-N 3.16Å; V261-Y265 VanDerWaalsContact O-N 3.15Å; V261-M322 HydrophobicContact CG1-CE 4.46Å; V261-M322 HydrophobicContact CG1-CG 4.27Å; V261-M322 HydrophobicContact CG1-SD 3.94Å; V261-M322 HydrophobicContact CG2-CB 4.42Å |
| 262 | V | 92.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 176.4 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | V150 T153 A258 M264 Y265 F266 A273 | V150-V262 HydrophobicContact CG2-CG1 4.31Å; V150-V262 HydrophobicContact CG2-CG2 4.44Å; T153-V262 HydrophobicContact CG2-CG2 3.88Å; T153-V262 WeakPolarHBondContact OG1-CG2 3.35Å; A258-V262 WeakPolarHBondContact O-CG2 3.42Å; A258-V262 PolarHBondContact O-N 3.47Å; V262-M264 PolarHBondContact O-N 3.5Å; V262-Y265 PolarHBondContact O-N 2.92Å; V262-Y265 VanDerWaalsContact O-N 3.16Å; V262-F266 HydrophobicContact CG1-CD2 4.45Å; V262-F266 PolarHBondContact O-N 3.22Å; V262-A273 HydrophobicContact CG1-CB 3.7Å |
| 263 | S | 87.7 | Confident | 90.7 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.014 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.6 | -26.5 | 178.7 | -58.3 | 0 | 0 | 0 | 0 | 113.5 | L259 V260 V261 R270 | L259-S263 PolarHBondContact O-N 3.26Å; L259-S263 PolarHBondContact O-OG 3.13Å; V260-S263 PolarHBondContact O-N 3.4Å; V261-S263 VanDerWaalsContact C-N 3.3Å; V261-S263 PolarHBondContact O-N 3.23Å; S263-R270 PolarHBondContact O-NE 2.97Å |
| 264 | M | 85.5 | Confident | 90.7 | Very high | 78 Ų | 78 | 24.8 Ų | 24.8 | 38% | 0.384 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -82.2 | -27.1 | 176.3 | -71 | 176.8 | 174.4 | 0 | 0 | 113.5 | V260 V261 V262 | V260-M264 HydrophobicContact CG1-CE 3.5Å; V260-M264 VanDerWaalsContact CG1-CE 3.5Å; V260-M264 HydrophobicContact CG1-SD 4.08Å; V260-M264 WeakPolarHBondContact O-CG 3.36Å; V260-M264 PolarHBondContact O-N 3.43Å; V260-M264 VanDerWaalsContact O-N 3.11Å; V261-M264 PolarHBondContact O-N 3.13Å; V261-M264 VanDerWaalsContact O-N 3.12Å; V262-M264 PolarHBondContact O-N 3.5Å |
| 265 | Y | 87.2 | Confident | 90.6 | Very high | 14 Ų | 14 | 24.8 Ų | 24.8 | 6% | 0.055 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -81.4 | -35.8 | 179.3 | -90.7 | -89.3 | 0 | 0 | 0 | 112.7 | P141 W145 V149 V261 V262 R323 V325 | P141-Y265 CarbonylContact C-O 3.33Å; P141-Y265 HydrophobicContact CG-CD1 4.27Å; P141-Y265 WeakPolarHBondContact CG-O 3.35Å; P141-Y265 VanDerWaalsContact O-O 3.09Å; W145-Y265 HydrophobicContact CB-CE1 4.36Å; V149-Y265 HydrophobicContact CB-CD2 4.29Å; V149-Y265 HydrophobicContact CB-CE2 4.26Å; V149-Y265 HydrophobicContact CG1-CD2 4.09Å; V149-Y265 HydrophobicContact CG1-CE2 4.2Å; V149-Y265 HydrophobicContact CG2-CD2 4.13Å; V149-Y265 HydrophobicContact CG2-CE1 4.32Å; V149-Y265 HydrophobicContact CG2-CE2 3.62Å; V261-Y265 HydrophobicContact CG2-CD2 3.87Å; V261-Y265 HydrophobicContact CG2-CE2 3.69Å; V261-Y265 WeakPolarHBondContact O-CD2 3.37Å; V261-Y265 PolarHBondContact O-N 3.16Å; V261-Y265 VanDerWaalsContact O-N 3.15Å; V262-Y265 PolarHBondContact O-N 2.92Å; V262-Y265 VanDerWaalsContact O-N 3.16Å; Y265-R323 PolarHBondContact OH-O 3.01Å; Y265-V325 HydrophobicContact CD1-CG2 3.87Å; Y265-V325 HydrophobicContact CD2-CG2 3.36Å; Y265-V325 HydrophobicContact CE1-CG2 3.61Å; Y265-V325 HydrophobicContact CE2-CG2 3.03Å; Y265-V325 HydrophobicContact CG-CG2 3.76Å |
| 266 | F | 87.5 | Confident | 90.7 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.009 | 13% | 0.13 | C | C | . | . | trans | -112.1 | 137.7 | -174.5 | -66.3 | -87.9 | 0 | 0 | 0 | 112.2 | D142 G146 W147 V150 V262 R269 R270 A273 | D142-F266 WeakPolarHBondContact OD1-CA 3.44Å; G146-F266 WeakPolarHBondContact O-CE2 3.27Å; W147-F266 HydrophobicContact CD2-CZ 4.08Å; W147-F266 HydrophobicContact CE3-CZ 4.46Å; W147-F266 HydrophobicContact CG-CZ 4.33Å; W147-F266 HydrophobicContact CZ2-CE1 4.24Å; V150-F266 HydrophobicContact CG2-CD2 4.37Å; V150-F266 HydrophobicContact CG2-CE2 3.55Å; V150-F266 HydrophobicContact CG2-CZ 4.16Å; V262-F266 HydrophobicContact CG1-CD2 4.45Å; V262-F266 PolarHBondContact O-N 3.22Å; F266-R269 HydrophobicContact CD1-CB 4.13Å; F266-R270 HydrophobicContact CB-CB 4.48Å; F266-R270 PolarHBondContact O-NE 3.29Å; F266-R270 VanDerWaalsContact O-NE 3.1Å; F266-R270 PolarHBondContact O-NH2 3.2Å; F266-R270 VanDerWaalsContact O-NH2 3.07Å; F266-A273 HydrophobicContact CB-CB 4.12Å; F266-A273 HydrophobicContact CD1-CB 4.19Å; F266-A273 HydrophobicContact CD2-CB 3.35Å; F266-A273 HydrophobicContact CE1-CB 4.46Å; F266-A273 HydrophobicContact CE2-CB 3.7Å; F266-A273 HydrophobicContact CG-CB 3.62Å; F266-A273 HydrophobicContact CZ-CB 4.23Å | ||
| 267 | D | 82.1 | Confident | 90.8 | Very high | 83 Ų | 83 | 27 Ų | 27 | 44% | 0.444 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -114.9 | -59.3 | 173.6 | -159 | 28 | 0 | 0 | 0 | 111.4 | P140 D142 R270 | P140-D267 HydrophobicContact CB-CB 4.29Å; D142-D267 PolarHBondContact OD1-N 3.14Å; D267-R270 IonicContact OD1-CZ 3.59Å; D267-R270 IonicContact OD1-NH1 3.59Å; D267-R270 IonicContact OD1-NH2 3.53Å; D267-R270 PolarHBondContact OD1-NH2 2.93Å |
| 268 | N | 83.3 | Confident | 90.8 | Very high | 117 Ų | 117 | 27.5 Ų | 27.5 | 63% | 0.626 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -25.5 | -179.4 | -62.7 | -64.1 | 0 | 0 | 0 | 113.3 | D142 | D142-N268 PolarHBondContact OD1-N 3.29Å; D142-N268 VanDerWaalsContact OD2-CB 3.27Å; D142-N268 WeakPolarHBondContact OD2-CB 3.46Å; D142-N268 PolarHBondContact OD2-N 3.45Å; D142-N268 VanDerWaalsContact OD2-N 3.12Å; D142-N268 PolarHBondContact OD2-ND2 3.17Å |
| 269 | R | 88.3 | Confident | 90.9 | Very high | 142 Ų | 142 | 27.7 Ų | 27.7 | 54% | 0.536 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | 31.2 | -177.3 | -68.6 | -179.1 | -173.4 | -106.4 | -0.5 | 112.1 | F266 T272 A273 D743 | F266-R269 HydrophobicContact CD1-CB 4.13Å; R269-T272 WeakPolarHBondContact CB-OG1 3.5Å; R269-T272 PolarHBondContact O-OG1 3.43Å; R269-A273 VanDerWaalsContact O-CB 3.31Å; R269-A273 WeakPolarHBondContact O-CB 3.44Å; R269-A273 PolarHBondContact O-N 3.11Å; R269-D743 WeakPolarHBondContact CA-OD2 3.22Å |
| 270 | R | 90.3 | Very high | 90.9 | Very high | 26 Ų | 26 | 27.4 Ų | 27.4 | 10% | 0.098 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.6 | -44.6 | -172.6 | -174.6 | 178.1 | -66.4 | 127.8 | 10.3 | 111 | S263 F266 D267 A273 T274 | S263-R270 PolarHBondContact O-NE 2.97Å; F266-R270 HydrophobicContact CB-CB 4.48Å; F266-R270 PolarHBondContact O-NE 3.29Å; F266-R270 VanDerWaalsContact O-NE 3.1Å; F266-R270 PolarHBondContact O-NH2 3.2Å; F266-R270 VanDerWaalsContact O-NH2 3.07Å; D267-R270 IonicContact OD1-CZ 3.59Å; D267-R270 IonicContact OD1-NH1 3.59Å; D267-R270 IonicContact OD1-NH2 3.53Å; D267-R270 PolarHBondContact OD1-NH2 2.93Å; R270-A273 PolarHBondContact O-N 3.3Å; R270-T274 WeakPolarHBondContact O-CB 3.29Å; R270-T274 PolarHBondContact O-N 3.35Å; R270-T274 PolarHBondContact O-OG1 3.21Å; R270-T274 VanDerWaalsContact O-OG1 3.07Å |
| 271 | A | 92.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.1 | -38.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G275 G739 A742 D743 L793 V796 | A271-G275 PolarHBondContact O-N 3Å; A271-G739 CarbonylContact C-O 3.57Å; A271-G739 WeakPolarHBondContact CB-O 3.05Å; A271-G739 VanDerWaalsContact O-CA 3.23Å; A271-G739 WeakPolarHBondContact O-CA 3.18Å; A271-A742 HydrophobicContact CB-CB 3.61Å; A271-D743 WeakPolarHBondContact CB-OD1 3.43Å; A271-D743 PolarHBondContact N-OD1 2.92Å; A271-D743 PolarHBondContact N-OD2 2.92Å; A271-L793 HydrophobicContact CB-CD2 4.42Å; A271-V796 HydrophobicContact CB-CG1 4.29Å; A271-V796 HydrophobicContact CB-CG2 3.86Å |
| 272 | T | 94.1 | Very high | 90.7 | Very high | 23 Ų | 23 | 28.1 Ų | 28.1 | 14% | 0.141 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 173.4 | 46.3 | 0 | 0 | 0 | 0 | 112.2 | R269 L276 G739 F740 D743 | R269-T272 WeakPolarHBondContact CB-OG1 3.5Å; R269-T272 PolarHBondContact O-OG1 3.43Å; T272-L276 VanDerWaalsContact O-CB 3.28Å; T272-L276 WeakPolarHBondContact O-CB 3.4Å; T272-L276 PolarHBondContact O-N 3.46Å; T272-G739 WeakPolarHBondContact CG2-O 3.27Å; T272-G739 PolarHBondContact N-O 3.18Å; T272-F740 VanDerWaalsContact CG2-CA 3.41Å; T272-F740 HydrophobicContact CG2-CB 4.07Å; T272-F740 HydrophobicContact CG2-CD2 4.04Å; T272-D743 WeakPolarHBondContact CB-OD2 3.48Å; T272-D743 HydrophobicContact CG2-CB 4.1Å; T272-D743 WeakPolarHBondContact CG2-OD2 3.36Å; T272-D743 PolarHBondContact N-OD2 3.19Å; T272-D743 PolarHBondContact OG1-OD2 3.19Å |
| 273 | A | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.5 | -43.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V150 V262 F266 R269 R270 S277 | V150-A273 HydrophobicContact CG2-CB 3.94Å; V262-A273 HydrophobicContact CG1-CB 3.7Å; F266-A273 HydrophobicContact CB-CB 4.12Å; F266-A273 HydrophobicContact CD1-CB 4.19Å; F266-A273 HydrophobicContact CD2-CB 3.35Å; F266-A273 HydrophobicContact CE1-CB 4.46Å; F266-A273 HydrophobicContact CE2-CB 3.7Å; F266-A273 HydrophobicContact CG-CB 3.62Å; F266-A273 HydrophobicContact CZ-CB 4.23Å; R269-A273 VanDerWaalsContact O-CB 3.31Å; R269-A273 WeakPolarHBondContact O-CB 3.44Å; R269-A273 PolarHBondContact O-N 3.11Å; R270-A273 PolarHBondContact O-N 3.3Å; A273-S277 WeakPolarHBondContact O-CB 3.42Å; A273-S277 PolarHBondContact O-N 3.39Å |
| 274 | T | 94.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.9 | -49.6 | 174.6 | -63.7 | 0 | 0 | 0 | 0 | 111.3 | R270 L276 S277 I278 T795 | R270-T274 WeakPolarHBondContact O-CB 3.29Å; R270-T274 PolarHBondContact O-N 3.35Å; R270-T274 PolarHBondContact O-OG1 3.21Å; R270-T274 VanDerWaalsContact O-OG1 3.07Å; T274-L276 VanDerWaalsContact C-N 3.33Å; T274-L276 PolarHBondContact O-N 3.34Å; T274-S277 WeakPolarHBondContact O-CB 3.48Å; T274-S277 PolarHBondContact O-N 2.99Å; T274-S277 VanDerWaalsContact O-N 3.11Å; T274-I278 HydrophobicContact CG2-CD1 3.67Å; T274-I278 HydrophobicContact CG2-CG1 4.34Å; T274-I278 WeakPolarHBondContact O-CG1 3.43Å; T274-I278 PolarHBondContact O-N 2.92Å; T274-T795 WeakPolarHBondContact CG2-OG1 3.37Å |
| 275 | G | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.6 | -41.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A271 I278 A279 E735 | A271-G275 PolarHBondContact O-N 3Å; G275-I278 PolarHBondContact O-N 2.98Å; G275-A279 WeakPolarHBondContact O-CB 3.4Å; G275-A279 PolarHBondContact O-N 3.5Å; G275-E735 WeakPolarHBondContact CA-O 3.47Å |
| 276 | L | 95.5 | Very high | 90.8 | Very high | 67 Ų | 67 | 30.2 Ų | 30.2 | 35% | 0.351 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -67.8 | -34.8 | 175.2 | -174 | 62.6 | 0 | 0 | 0 | 112.5 | W147 V150 F154 T272 T274 A279 V736 | W147-L276 HydrophobicContact CE3-CD2 4.42Å; W147-L276 HydrophobicContact CZ3-CD2 3.88Å; V150-L276 HydrophobicContact CG1-CB 4.08Å; V150-L276 HydrophobicContact CG1-CD2 3.86Å; V150-L276 HydrophobicContact CG1-CG 3.95Å; F154-L276 VanDerWaalsContact CD2-O 3.29Å; F154-L276 WeakPolarHBondContact CD2-O 3.47Å; T272-L276 VanDerWaalsContact O-CB 3.28Å; T272-L276 WeakPolarHBondContact O-CB 3.4Å; T272-L276 PolarHBondContact O-N 3.46Å; T274-L276 VanDerWaalsContact C-N 3.33Å; T274-L276 PolarHBondContact O-N 3.34Å; L276-A279 WeakPolarHBondContact O-CB 3.38Å; L276-V736 HydrophobicContact CD1-CG2 4.44Å |
| 277 | S | 95.1 | Very high | 91 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.9 | -44.6 | 175 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | T153 F154 A273 T274 A279 G280 | T153-S277 WeakPolarHBondContact CB-OG 3.42Å; T153-S277 WeakPolarHBondContact OG1-CB 3.12Å; T153-S277 PolarHBondContact OG1-OG 3.4Å; F154-S277 WeakPolarHBondContact CA-O 3.35Å; A273-S277 WeakPolarHBondContact O-CB 3.42Å; A273-S277 PolarHBondContact O-N 3.39Å; T274-S277 WeakPolarHBondContact O-CB 3.48Å; T274-S277 PolarHBondContact O-N 2.99Å; T274-S277 VanDerWaalsContact O-N 3.11Å; S277-A279 VanDerWaalsContact C-N 3.34Å; S277-G280 PolarHBondContact O-N 3Å |
| 278 | I | 94.4 | Very high | 91.4 | Very high | 9 Ų | 9 | 29 Ų | 29 | 5% | 0.046 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -74.7 | -25.9 | -177.4 | -59.1 | 173.8 | 0 | 0 | 0 | 111.2 | L259 T274 G275 G280 T281 E735 D791 | L259-I278 HydrophobicContact CD2-CD1 3.62Å; L259-I278 HydrophobicContact CD2-CG1 3.84Å; T274-I278 HydrophobicContact CG2-CD1 3.67Å; T274-I278 HydrophobicContact CG2-CG1 4.34Å; T274-I278 WeakPolarHBondContact O-CG1 3.43Å; T274-I278 PolarHBondContact O-N 2.92Å; G275-I278 PolarHBondContact O-N 2.98Å; I278-G280 PolarHBondContact O-N 2.89Å; I278-T281 HydrophobicContact CG2-CG2 4.07Å; I278-T281 WeakPolarHBondContact O-CB 3.49Å; I278-T281 VanDerWaalsContact O-CG2 3.29Å; I278-T281 WeakPolarHBondContact O-CG2 3.42Å; I278-T281 PolarHBondContact O-N 2.95Å; I278-T281 PolarHBondContact O-OG1 3.46Å; I278-E735 HydrophobicContact CG2-CG 4.45Å; I278-E735 WeakPolarHBondContact CG2-OE1 3.25Å; I278-E735 VanDerWaalsContact O-OE2 3.1Å; I278-D791 WeakPolarHBondContact CD1-O 3.26Å; I278-D791 HydrophobicContact CG2-CB 4.16Å |
| 279 | A | 94.6 | Very high | 91.5 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 3% | 0.033 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | -22.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F154 G275 L276 S277 T281 G282 V283 M732 E735 V736 | F154-A279 HydrophobicContact CD2-CB 4.49Å; F154-A279 HydrophobicContact CE2-CB 4.19Å; G275-A279 WeakPolarHBondContact O-CB 3.4Å; G275-A279 PolarHBondContact O-N 3.5Å; L276-A279 WeakPolarHBondContact O-CB 3.38Å; S277-A279 VanDerWaalsContact C-N 3.34Å; A279-T281 PolarHBondContact O-N 2.83Å; A279-G282 PolarHBondContact O-N 2.99Å; A279-V283 PolarHBondContact O-N 2.75Å; A279-M732 HydrophobicContact CB-CG 4.5Å; A279-E735 WeakPolarHBondContact CA-OE2 3.39Å; A279-E735 PolarHBondContact N-OE2 3.23Å; A279-V736 HydrophobicContact CB-CG2 3.8Å |
| 280 | G | 92.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.1 | -32.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F154 M158 S277 I278 V283 G284 | F154-G280 VanDerWaalsContact CD2-CA 3.46Å; M158-G280 WeakPolarHBondContact CA-O 3.46Å; M158-G280 WeakPolarHBondContact CB-O 3.32Å; M158-G280 WeakPolarHBondContact CG-O 3.25Å; S277-G280 PolarHBondContact O-N 3Å; I278-G280 PolarHBondContact O-N 2.89Å; G280-V283 PolarHBondContact O-N 3.21Å; G280-G284 PolarHBondContact O-N 3.06Å |
| 281 | T | 91.3 | Very high | 91.6 | Very high | 17 Ų | 17 | 22.5 Ų | 22.5 | 10% | 0.104 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.7 | -48.1 | 180 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | H157 D161 I278 A279 G284 A285 E735 | H157-T281 HydrophobicContact CB-CG2 3.95Å; D161-T281 HydrophobicContact CB-CG2 3.82Å; D161-T281 WeakPolarHBondContact OD2-CG2 3.21Å; I278-T281 HydrophobicContact CG2-CG2 4.07Å; I278-T281 WeakPolarHBondContact O-CB 3.49Å; I278-T281 VanDerWaalsContact O-CG2 3.29Å; I278-T281 WeakPolarHBondContact O-CG2 3.42Å; I278-T281 PolarHBondContact O-N 2.95Å; I278-T281 PolarHBondContact O-OG1 3.46Å; A279-T281 PolarHBondContact O-N 2.83Å; T281-G284 PolarHBondContact O-N 2.85Å; T281-A285 PolarHBondContact O-N 3.3Å; T281-E735 PolarHBondContact OG1-OE1 2.98Å |
| 282 | G | 88 | Confident | 91.6 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.1 | -40.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A279 G284 A285 L286 | A279-G282 PolarHBondContact O-N 2.99Å; G282-G284 VanDerWaalsContact C-N 3.33Å; G282-A285 PolarHBondContact O-N 2.84Å; G282-L286 WeakPolarHBondContact O-CG 3.44Å; G282-L286 PolarHBondContact O-N 3.19Å |
| 283 | V | 91.5 | Very high | 91.4 | Very high | 38 Ų | 38 | 25.3 Ų | 25.3 | 23% | 0.23 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.8 | -41.9 | 172 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | F154 M158 A279 G280 A285 L286 V287 M732 | F154-V283 HydrophobicContact CE2-CG2 4.4Å; F154-V283 HydrophobicContact CZ-CB 4.12Å; F154-V283 HydrophobicContact CZ-CG1 4.4Å; F154-V283 HydrophobicContact CZ-CG2 3.9Å; M158-V283 HydrophobicContact CG-CG1 4.4Å; M158-V283 HydrophobicContact SD-CG1 4.1Å; A279-V283 PolarHBondContact O-N 2.75Å; G280-V283 PolarHBondContact O-N 3.21Å; V283-A285 PolarHBondContact O-N 3.15Å; V283-L286 PolarHBondContact O-N 2.96Å; V283-V287 HydrophobicContact CG1-CG2 4.07Å; V283-V287 WeakPolarHBondContact O-CB 3.48Å; V283-V287 WeakPolarHBondContact O-CG2 3.49Å; V283-V287 PolarHBondContact O-N 3.24Å; V283-M732 HydrophobicContact CG2-CG 4.24Å; V283-M732 HydrophobicContact CG2-SD 3.36Å; V283-M732 WeakPolarHBondContact CG2-SD 3.15Å |
| 284 | G | 90.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | M158 G280 T281 G282 L286 V287 F288 | M158-G284 WeakPolarHBondContact O-CA 3.43Å; G280-G284 PolarHBondContact O-N 3.06Å; T281-G284 PolarHBondContact O-N 2.85Å; G282-G284 VanDerWaalsContact C-N 3.33Å; G284-L286 VanDerWaalsContact C-N 3.32Å; G284-L286 PolarHBondContact O-N 3.44Å; G284-V287 PolarHBondContact O-N 3.18Å; G284-F288 VanDerWaalsContact O-CB 3.31Å; G284-F288 WeakPolarHBondContact O-CB 3.47Å; G284-F288 WeakPolarHBondContact O-CD2 3.42Å; G284-F288 PolarHBondContact O-N 3.26Å |
| 285 | A | 85.3 | Confident | 91.2 | Very high | 25 Ų | 25 | 30.9 Ų | 30.9 | 21% | 0.207 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V165 T281 G282 V283 A289 | V165-A285 HydrophobicContact CG1-CB 4.23Å; T281-A285 PolarHBondContact O-N 3.3Å; G282-A285 PolarHBondContact O-N 2.84Å; V283-A285 PolarHBondContact O-N 3.15Å; A285-A289 VanDerWaalsContact O-CB 3.29Å; A285-A289 WeakPolarHBondContact O-CB 3.19Å; A285-A289 PolarHBondContact O-N 3.38Å |
| 286 | L | 86.2 | Confident | 91.1 | Very high | 77 Ų | 77 | 31.8 Ų | 31.8 | 40% | 0.403 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -73.8 | -30.3 | 179.3 | -68.1 | 173.7 | 0 | 0 | 0 | 113.6 | G282 V283 G284 P290 | G282-L286 WeakPolarHBondContact O-CG 3.44Å; G282-L286 PolarHBondContact O-N 3.19Å; V283-L286 PolarHBondContact O-N 2.96Å; G284-L286 VanDerWaalsContact C-N 3.32Å; G284-L286 PolarHBondContact O-N 3.44Å; L286-P290 WeakPolarHBondContact O-CD 3.48Å; L286-P290 VanDerWaalsContact O-CG 3.23Å; L286-P290 WeakPolarHBondContact O-CG 3.33Å |
| 287 | V | 91.5 | Very high | 90.9 | Very high | 57 Ų | 57 | 34.4 Ų | 34.4 | 35% | 0.345 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -89.3 | -47.7 | -178.1 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | V283 G284 P290 M291 | V283-V287 HydrophobicContact CG1-CG2 4.07Å; V283-V287 WeakPolarHBondContact O-CB 3.48Å; V283-V287 WeakPolarHBondContact O-CG2 3.49Å; V283-V287 PolarHBondContact O-N 3.24Å; G284-V287 PolarHBondContact O-N 3.18Å; V287-P290 WeakPolarHBondContact O-CD 3.33Å; V287-P290 WeakPolarHBondContact O-CG 3.46Å; V287-M291 VanDerWaalsContact O-CB 3.25Å; V287-M291 WeakPolarHBondContact O-CB 3.29Å; V287-M291 PolarHBondContact O-N 3.11Å |
| 288 | F | 90.9 | Very high | 90.9 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -73.8 | -33.6 | -173.1 | -79.1 | -89.6 | 0 | 0 | 0 | 112.8 | M158 I159 G162 V163 S166 G284 M291 V292 L308 F311 | M158-F288 HydrophobicContact CE-CE2 4.28Å; M158-F288 HydrophobicContact CG-CE2 4.35Å; M158-F288 WeakPolarHBondContact O-CE2 3.43Å; I159-F288 HydrophobicContact CB-CZ 4.47Å; I159-F288 HydrophobicContact CG1-CZ 4.14Å; G162-F288 WeakPolarHBondContact O-CB 3.25Å; V163-F288 HydrophobicContact CG2-CD1 3.55Å; V163-F288 HydrophobicContact CG2-CE1 3.43Å; V163-F288 VanDerWaalsContact CG2-CE1 3.43Å; V163-F288 HydrophobicContact CG2-CG 4.26Å; V163-F288 HydrophobicContact CG2-CZ 4.03Å; S166-F288 WeakPolarHBondContact OG-CB 3.45Å; G284-F288 VanDerWaalsContact O-CB 3.31Å; G284-F288 WeakPolarHBondContact O-CB 3.47Å; G284-F288 WeakPolarHBondContact O-CD2 3.42Å; G284-F288 PolarHBondContact O-N 3.26Å; F288-M291 HydrophobicContact CD1-CE 3.18Å; F288-M291 HydrophobicContact CE1-CE 3.35Å; F288-M291 HydrophobicContact CG-CE 4.08Å; F288-M291 HydrophobicContact CZ-CE 4.36Å; F288-M291 PolarHBondContact O-N 3.34Å; F288-V292 WeakPolarHBondContact O-CB 3.38Å; F288-V292 VanDerWaalsContact O-CG2 3.26Å; F288-V292 WeakPolarHBondContact O-CG2 3.18Å; F288-V292 PolarHBondContact O-N 3.44Å; F288-L308 HydrophobicContact CD1-CD2 4.01Å; F288-L308 HydrophobicContact CE1-CD2 4.13Å; F288-F311 HydrophobicContact CE1-CB 4.33Å; F288-F311 HydrophobicContact CE1-CD1 4.29Å; F288-F311 HydrophobicContact CE1-CD2 4.28Å; F288-F311 HydrophobicContact CE1-CG 4.06Å; F288-F311 HydrophobicContact CZ-CB 4.48Å; F288-F311 HydrophobicContact CZ-CD1 4.17Å; F288-F311 HydrophobicContact CZ-CG 4.3Å |
| 289 | A | 86.1 | Confident | 90.7 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 28% | 0.281 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.4 | -54.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S166 A285 M291 V292 D293 | S166-A289 PolarHBondContact OG-N 2.94Å; S166-A289 VanDerWaalsContact OG-N 3.15Å; A285-A289 VanDerWaalsContact O-CB 3.29Å; A285-A289 WeakPolarHBondContact O-CB 3.19Å; A285-A289 PolarHBondContact O-N 3.38Å; A289-M291 VanDerWaalsContact C-N 3.32Å; A289-M291 PolarHBondContact O-N 3.43Å; A289-V292 PolarHBondContact O-N 2.95Å; A289-D293 PolarHBondContact O-N 2.89Å; A289-D293 VanDerWaalsContact O-N 3.15Å |
| 290 | P | 89 | Confident | 90.6 | Very high | 77 Ų | 77 | 49 Ų | 49 | 50% | 0.5 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.9 | -29.9 | 175.6 | 27 | -34.6 | 0 | 0 | 0 | 112.9 | L286 V287 M294 | L286-P290 WeakPolarHBondContact O-CD 3.48Å; L286-P290 VanDerWaalsContact O-CG 3.23Å; L286-P290 WeakPolarHBondContact O-CG 3.33Å; V287-P290 WeakPolarHBondContact O-CD 3.33Å; V287-P290 WeakPolarHBondContact O-CG 3.46Å; P290-M294 WeakPolarHBondContact O-CB 3.5Å; P290-M294 PolarHBondContact O-N 2.89Å |
| 291 | M | 91.5 | Very high | 90.6 | Very high | 36 Ų | 36 | 49.5 Ų | 49.5 | 18% | 0.177 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 175.6 | -174.7 | -179.8 | 71.2 | 0 | 0 | 111.3 | V287 F288 A289 M294 L295 L308 F311 | V287-M291 VanDerWaalsContact O-CB 3.25Å; V287-M291 WeakPolarHBondContact O-CB 3.29Å; V287-M291 PolarHBondContact O-N 3.11Å; F288-M291 HydrophobicContact CD1-CE 3.18Å; F288-M291 HydrophobicContact CE1-CE 3.35Å; F288-M291 HydrophobicContact CG-CE 4.08Å; F288-M291 HydrophobicContact CZ-CE 4.36Å; F288-M291 PolarHBondContact O-N 3.34Å; A289-M291 VanDerWaalsContact C-N 3.32Å; A289-M291 PolarHBondContact O-N 3.43Å; M291-M294 PolarHBondContact O-N 2.8Å; M291-L295 HydrophobicContact CG-CD1 4.08Å; M291-L295 HydrophobicContact CG-CG 4.4Å; M291-L295 WeakPolarHBondContact O-CB 3.49Å; M291-L295 WeakPolarHBondContact O-CG 3.32Å; M291-L295 PolarHBondContact O-N 3.24Å; M291-L308 HydrophobicContact CE-CD2 4.13Å; M291-F311 HydrophobicContact CE-CD2 4.23Å; M291-F311 HydrophobicContact CE-CE2 3.66Å; M291-F311 HydrophobicContact CE-CZ 3.9Å; M291-F311 HydrophobicContact SD-CE2 3.96Å; M291-F311 HydrophobicContact SD-CZ 3.77Å |
| 292 | V | 91.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 176.9 | 164.7 | 0 | 0 | 0 | 0 | 110.6 | V169 F170 F288 A289 M294 L295 L296 L308 | V169-V292 HydrophobicContact CB-CG1 3.95Å; V169-V292 HydrophobicContact CG1-CG1 4.11Å; F170-V292 HydrophobicContact CD2-CG1 3.75Å; F170-V292 HydrophobicContact CE1-CG1 4.31Å; F170-V292 HydrophobicContact CE2-CB 4.22Å; F170-V292 HydrophobicContact CE2-CG1 3.23Å; F170-V292 HydrophobicContact CE2-CG2 3.88Å; F170-V292 HydrophobicContact CZ-CG1 3.55Å; F170-V292 HydrophobicContact CZ-CG2 4.21Å; F288-V292 WeakPolarHBondContact O-CB 3.38Å; F288-V292 VanDerWaalsContact O-CG2 3.26Å; F288-V292 WeakPolarHBondContact O-CG2 3.18Å; F288-V292 PolarHBondContact O-N 3.44Å; A289-V292 PolarHBondContact O-N 2.95Å; V292-M294 VanDerWaalsContact C-N 3.35Å; V292-M294 PolarHBondContact O-N 3.39Å; V292-L295 PolarHBondContact O-N 3.43Å; V292-L295 VanDerWaalsContact O-N 3.15Å; V292-L296 HydrophobicContact CG1-CD1 3.83Å; V292-L296 HydrophobicContact CG1-CG 4.19Å; V292-L296 WeakPolarHBondContact O-CB 3.49Å; V292-L296 VanDerWaalsContact O-CG 3.26Å; V292-L296 WeakPolarHBondContact O-CG 3.18Å; V292-L296 PolarHBondContact O-N 3.46Å; V292-L308 HydrophobicContact CG2-CD1 4.17Å; V292-L308 HydrophobicContact CG2-CD2 4.26Å |
| 293 | D | 89.6 | Confident | 91 | Very high | 83 Ų | 83 | 52.8 Ų | 52.8 | 44% | 0.444 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -57.5 | -46.4 | 175.4 | -178.6 | 60.6 | 0 | 0 | 0 | 111.9 | V169 A289 L295 L296 N297 | V169-D293 HydrophobicContact CG1-CB 4.22Å; A289-D293 PolarHBondContact O-N 2.89Å; A289-D293 VanDerWaalsContact O-N 3.15Å; D293-L295 PolarHBondContact O-N 3.31Å; D293-L296 PolarHBondContact O-N 2.95Å; D293-N297 PolarHBondContact O-N 3.43Å; D293-N297 VanDerWaalsContact O-N 3.07Å; D293-N297 PolarHBondContact O-ND2 3.42Å |
| 294 | M | 92.1 | Very high | 91.1 | Very high | 105 Ų | 105 | 51 Ų | 51 | 52% | 0.517 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 174.1 | -175.4 | -125.8 | -69.8 | 0 | 0 | 112.3 | P290 M291 V292 N297 I298 | P290-M294 WeakPolarHBondContact O-CB 3.5Å; P290-M294 PolarHBondContact O-N 2.89Å; M291-M294 PolarHBondContact O-N 2.8Å; V292-M294 VanDerWaalsContact C-N 3.35Å; V292-M294 PolarHBondContact O-N 3.39Å; M294-N297 PolarHBondContact O-N 3.33Å; M294-I298 HydrophobicContact CG-CD1 3.88Å; M294-I298 WeakPolarHBondContact O-CG1 2.95Å; M294-I298 PolarHBondContact O-N 3Å; M294-I298 VanDerWaalsContact O-N 3.14Å; M294-I298 HydrophobicContact SD-CD1 3.87Å |
| 295 | L | 93.3 | Very high | 91.3 | Very high | 13 Ų | 13 | 51 Ų | 51 | 7% | 0.068 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66 | -37.2 | 178.3 | -72.8 | 173.7 | 0 | 0 | 0 | 112.5 | M291 V292 D293 I298 Y299 A304 I307 | M291-L295 HydrophobicContact CG-CD1 4.08Å; M291-L295 HydrophobicContact CG-CG 4.4Å; M291-L295 WeakPolarHBondContact O-CB 3.49Å; M291-L295 WeakPolarHBondContact O-CG 3.32Å; M291-L295 PolarHBondContact O-N 3.24Å; V292-L295 PolarHBondContact O-N 3.43Å; V292-L295 VanDerWaalsContact O-N 3.15Å; D293-L295 PolarHBondContact O-N 3.31Å; L295-I298 PolarHBondContact O-N 2.82Å; L295-Y299 HydrophobicContact CD2-CD2 4.03Å; L295-Y299 HydrophobicContact CD2-CE2 4.36Å; L295-Y299 PolarHBondContact O-N 3.4Å; L295-A304 HydrophobicContact CB-CB 3.83Å; L295-I307 HydrophobicContact CD1-CB 4.39Å; L295-I307 HydrophobicContact CD1-CG2 3.99Å; L295-I307 HydrophobicContact CD2-CD1 3.56Å; L295-I307 HydrophobicContact CD2-CG2 4.31Å |
| 296 | L | 92.3 | Very high | 91.8 | Very high | 19 Ų | 19 | 53.2 Ų | 53.2 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 175.7 | -73.5 | 171 | 0 | 0 | 0 | 111 | V169 F170 V292 D293 I298 T300 W301 A304 | V169-L296 HydrophobicContact CB-CD1 4.46Å; V169-L296 HydrophobicContact CG1-CD1 3.71Å; F170-L296 HydrophobicContact CD1-CD2 3.88Å; F170-L296 HydrophobicContact CE1-CD2 3.86Å; F170-L296 HydrophobicContact CE1-CG 4.47Å; V292-L296 HydrophobicContact CG1-CD1 3.83Å; V292-L296 HydrophobicContact CG1-CG 4.19Å; V292-L296 WeakPolarHBondContact O-CB 3.49Å; V292-L296 VanDerWaalsContact O-CG 3.26Å; V292-L296 WeakPolarHBondContact O-CG 3.18Å; V292-L296 PolarHBondContact O-N 3.46Å; D293-L296 PolarHBondContact O-N 2.95Å; L296-I298 PolarHBondContact O-N 2.96Å; L296-T300 VanDerWaalsContact O-CA 3.27Å; L296-T300 WeakPolarHBondContact O-CA 3.13Å; L296-T300 PolarHBondContact O-N 3Å; L296-W301 VanDerWaalsContact CD2-CA 3.41Å; L296-W301 HydrophobicContact CD2-CB 3.64Å; L296-A304 HydrophobicContact CD2-CB 4.32Å |
| 297 | N | 92 | Very high | 92.3 | Very high | 123 Ų | 123 | 52.5 Ų | 52.5 | 66% | 0.658 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.6 | -34.4 | 178.7 | -74.5 | -46.6 | 0 | 0 | 0 | 113.4 | D293 M294 | D293-N297 PolarHBondContact O-N 3.43Å; D293-N297 VanDerWaalsContact O-N 3.07Å; D293-N297 PolarHBondContact O-ND2 3.42Å; M294-N297 PolarHBondContact O-N 3.33Å |
| 298 | I | 93.8 | Very high | 92.4 | Very high | 105 Ų | 105 | 49.8 Ų | 49.8 | 54% | 0.538 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -89.3 | -47 | -177.3 | -62.1 | 169.7 | 0 | 0 | 0 | 112.3 | M294 L295 L296 | M294-I298 HydrophobicContact CG-CD1 3.88Å; M294-I298 WeakPolarHBondContact O-CG1 2.95Å; M294-I298 PolarHBondContact O-N 3Å; M294-I298 VanDerWaalsContact O-N 3.14Å; M294-I298 HydrophobicContact SD-CD1 3.87Å; L295-I298 PolarHBondContact O-N 2.82Å; L296-I298 PolarHBondContact O-N 2.96Å |
| 299 | Y | 91.3 | Very high | 92.6 | Very high | 133 Ų | 133 | 50.1 Ų | 50.1 | 52% | 0.522 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -115.7 | -2.6 | -166.5 | -68.1 | -70.4 | 0 | 0 | 0 | 114.6 | L295 I307 | L295-Y299 HydrophobicContact CD2-CD2 4.03Å; L295-Y299 HydrophobicContact CD2-CE2 4.36Å; L295-Y299 PolarHBondContact O-N 3.4Å; Y299-I307 HydrophobicContact CD2-CD1 3.83Å; Y299-I307 HydrophobicContact CE2-CD1 3.96Å; Y299-I307 HydrophobicContact CG-CD1 4.47Å |
| 300 | T | 92.4 | Very high | 93.1 | Very high | 83 Ų | 83 | 49.8 Ų | 49.8 | 51% | 0.509 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | 63.4 | 173.6 | -165.7 | 77.5 | 0 | 0 | 0 | 0 | 113.4 | L296 R302 G303 A304 | L296-T300 VanDerWaalsContact O-CA 3.27Å; L296-T300 WeakPolarHBondContact O-CA 3.13Å; L296-T300 PolarHBondContact O-N 3Å; T300-R302 VanDerWaalsContact C-N 3.3Å; T300-R302 PolarHBondContact O-N 2.96Å; T300-G303 PolarHBondContact O-N 2.8Å; T300-A304 PolarHBondContact O-N 2.97Å |
| 301 | W | 92.1 | Very high | 93.4 | Very high | 10 Ų | 10 | 49.4 Ų | 49.4 | 4% | 0.038 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.7 | -33.6 | -177.6 | 69.7 | -97.1 | 0 | 0 | 0 | 114 | F170 L174 E177 F178 M239 L296 A304 M305 | F170-W301 HydrophobicContact CD1-CB 4.16Å; F170-W301 HydrophobicContact CE1-CB 4.41Å; L174-W301 HydrophobicContact CD2-CD2 4.06Å; L174-W301 HydrophobicContact CD2-CE3 4.03Å; L174-W301 HydrophobicContact CD2-CG 4.48Å; L174-W301 HydrophobicContact CD2-CZ3 4.36Å; E177-W301 HydrophobicContact CG-CZ2 3.99Å; F178-W301 HydrophobicContact CE2-CH2 4.46Å; F178-W301 HydrophobicContact CE2-CZ2 4.45Å; F178-W301 HydrophobicContact CZ-CH2 4.1Å; F178-W301 HydrophobicContact CZ-CZ2 4.21Å; M239-W301 HydrophobicContact CE-CZ3 4.41Å; L296-W301 VanDerWaalsContact CD2-CA 3.41Å; L296-W301 HydrophobicContact CD2-CB 3.64Å; W301-A304 PolarHBondContact O-N 3.4Å; W301-M305 HydrophobicContact CE3-CG 4.49Å; W301-M305 VanDerWaalsContact O-CG 3.22Å; W301-M305 WeakPolarHBondContact O-CG 3.35Å; W301-M305 PolarHBondContact O-N 3.23Å |
| 302 | R | 94.3 | Very high | 93.6 | Very high | 71 Ų | 71 | 47.7 Ų | 47.7 | 27% | 0.268 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.4 | -46.6 | 178.7 | -69 | -173.3 | 171.6 | 89.8 | -3 | 111.3 | E177 T300 M305 M306 | E177-R302 IonicContact OE1-CZ 3.3Å; E177-R302 VanDerWaalsContact OE1-CZ 3.3Å; E177-R302 IonicContact OE1-NH1 3.25Å; E177-R302 PolarHBondContact OE1-NH1 3.18Å; E177-R302 IonicContact OE1-NH2 2.96Å; E177-R302 PolarHBondContact OE1-NH2 2.92Å; T300-R302 VanDerWaalsContact C-N 3.3Å; T300-R302 PolarHBondContact O-N 2.96Å; R302-M305 PolarHBondContact O-N 3.45Å; R302-M306 WeakPolarHBondContact O-CG 3.2Å; R302-M306 PolarHBondContact O-N 3.02Å |
| 303 | G | 93.5 | Very high | 93.8 | Very high | 17 Ų | 17 | 51 Ų | 51 | 18% | 0.175 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.4 | -38.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T300 M305 M306 I307 | T300-G303 PolarHBondContact O-N 2.8Å; G303-M305 PolarHBondContact O-N 2.9Å; G303-M306 PolarHBondContact O-N 3.36Å; G303-I307 WeakPolarHBondContact O-CG1 3.29Å; G303-I307 PolarHBondContact O-N 2.83Å; G303-I307 VanDerWaalsContact O-N 3.08Å |
| 304 | A | 94.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.8 | -46.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F170 L295 L296 T300 W301 M306 I307 L308 | F170-A304 HydrophobicContact CE1-CB 3.86Å; F170-A304 HydrophobicContact CZ-CB 4.03Å; L295-A304 HydrophobicContact CB-CB 3.83Å; L296-A304 HydrophobicContact CD2-CB 4.32Å; T300-A304 PolarHBondContact O-N 2.97Å; W301-A304 PolarHBondContact O-N 3.4Å; A304-M306 VanDerWaalsContact C-N 3.34Å; A304-M306 PolarHBondContact O-N 3.08Å; A304-I307 PolarHBondContact O-N 2.88Å; A304-L308 VanDerWaalsContact O-CG 3.29Å; A304-L308 WeakPolarHBondContact O-CG 3.41Å; A304-L308 PolarHBondContact O-N 2.8Å |
| 305 | M | 94 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -36.8 | 178 | -69.7 | -71.6 | -76.6 | 0 | 0 | 113.2 | F170 C227 A231 M239 F243 W301 R302 G303 S309 | F170-M305 HydrophobicContact CE1-CG 4.16Å; F170-M305 HydrophobicContact CE1-SD 4.17Å; F170-M305 HydrophobicContact CZ-SD 4.24Å; C227-M305 PolarHBondContact SG-O 3.5Å; A231-M305 HydrophobicContact CB-CB 3.98Å; M239-M305 HydrophobicContact CE-CE 3.35Å; M239-M305 HydrophobicContact CE-CG 4.41Å; M239-M305 HydrophobicContact CE-SD 4.16Å; M239-M305 HydrophobicContact SD-CE 4.14Å; F243-M305 HydrophobicContact CB-CE 3.84Å; F243-M305 HydrophobicContact CD1-CE 4.48Å; F243-M305 HydrophobicContact CD2-CE 3.27Å; F243-M305 HydrophobicContact CD2-SD 4.18Å; F243-M305 HydrophobicContact CE2-CE 3.9Å; F243-M305 HydrophobicContact CE2-SD 4.21Å; F243-M305 HydrophobicContact CG-CE 3.61Å; W301-M305 HydrophobicContact CE3-CG 4.49Å; W301-M305 VanDerWaalsContact O-CG 3.22Å; W301-M305 WeakPolarHBondContact O-CG 3.35Å; W301-M305 PolarHBondContact O-N 3.23Å; R302-M305 PolarHBondContact O-N 3.45Å; G303-M305 PolarHBondContact O-N 2.9Å; M305-S309 PolarHBondContact O-N 3.04Å |
| 306 | M | 95.6 | Very high | 94.3 | Very high | 71 Ų | 71 | 46 Ų | 46 | 35% | 0.35 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 174.5 | -66.5 | -174.7 | -167.9 | 0 | 0 | 111.7 | F228 A231 F232 R302 G303 A304 S309 G310 | F228-M306 HydrophobicContact CD2-CG 4.39Å; F228-M306 HydrophobicContact CE2-CG 4.29Å; A231-M306 HydrophobicContact CB-CE 3.8Å; A231-M306 HydrophobicContact CB-CG 3.57Å; F232-M306 HydrophobicContact CE1-CE 3.75Å; F232-M306 HydrophobicContact CE2-CE 4.03Å; F232-M306 HydrophobicContact CZ-CE 3.46Å; F232-M306 VanDerWaalsContact CZ-CE 3.46Å; R302-M306 WeakPolarHBondContact O-CG 3.2Å; R302-M306 PolarHBondContact O-N 3.02Å; G303-M306 PolarHBondContact O-N 3.36Å; A304-M306 VanDerWaalsContact C-N 3.34Å; A304-M306 PolarHBondContact O-N 3.08Å; M306-S309 WeakPolarHBondContact O-CB 3.28Å; M306-S309 PolarHBondContact O-N 3.4Å; M306-S309 PolarHBondContact O-OG 3.04Å; M306-G310 PolarHBondContact O-N 3.49Å |
| 307 | I | 96.1 | Very high | 94.5 | Very high | 62 Ų | 62 | 48.5 Ų | 48.5 | 32% | 0.318 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 178.1 | -68.9 | 166.4 | 0 | 0 | 0 | 110.6 | L295 Y299 G303 A304 S309 G310 F311 | L295-I307 HydrophobicContact CD1-CB 4.39Å; L295-I307 HydrophobicContact CD1-CG2 3.99Å; L295-I307 HydrophobicContact CD2-CD1 3.56Å; L295-I307 HydrophobicContact CD2-CG2 4.31Å; Y299-I307 HydrophobicContact CD2-CD1 3.83Å; Y299-I307 HydrophobicContact CE2-CD1 3.96Å; Y299-I307 HydrophobicContact CG-CD1 4.47Å; G303-I307 WeakPolarHBondContact O-CG1 3.29Å; G303-I307 PolarHBondContact O-N 2.83Å; G303-I307 VanDerWaalsContact O-N 3.08Å; A304-I307 PolarHBondContact O-N 2.88Å; I307-S309 VanDerWaalsContact C-N 3.27Å; I307-S309 PolarHBondContact O-N 3.35Å; I307-G310 WeakPolarHBondContact O-CA 3.42Å; I307-G310 PolarHBondContact O-N 3.34Å; I307-F311 HydrophobicContact CG2-CD2 4.35Å; I307-F311 HydrophobicContact CG2-CE2 3.9Å; I307-F311 WeakPolarHBondContact O-CD2 3.48Å; I307-F311 PolarHBondContact O-N 2.81Å |
| 308 | L | 94.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.6 | -34.9 | 174.2 | -69.3 | 179.6 | 0 | 0 | 0 | 112.9 | V163 F170 F288 M291 V292 A304 G310 F311 F312 | V163-L308 HydrophobicContact CG1-CD1 4.06Å; V163-L308 HydrophobicContact CG1-CD2 4.42Å; V163-L308 HydrophobicContact CG2-CD2 3.98Å; F170-L308 HydrophobicContact CE2-CD1 3.83Å; F170-L308 HydrophobicContact CZ-CD1 3.53Å; F288-L308 HydrophobicContact CD1-CD2 4.01Å; F288-L308 HydrophobicContact CE1-CD2 4.13Å; M291-L308 HydrophobicContact CE-CD2 4.13Å; V292-L308 HydrophobicContact CG2-CD1 4.17Å; V292-L308 HydrophobicContact CG2-CD2 4.26Å; A304-L308 VanDerWaalsContact O-CG 3.29Å; A304-L308 WeakPolarHBondContact O-CG 3.41Å; A304-L308 PolarHBondContact O-N 2.8Å; L308-G310 PolarHBondContact O-N 2.99Å; L308-F311 HydrophobicContact CD2-CD2 4.4Å; L308-F311 WeakPolarHBondContact O-CB 3.39Å; L308-F311 PolarHBondContact O-N 3.15Å; L308-F311 VanDerWaalsContact O-N 3.1Å; L308-F312 WeakPolarHBondContact O-CD2 3.31Å; L308-F312 PolarHBondContact O-N 3.08Å; L308-F312 VanDerWaalsContact O-N 3.08Å |
| 309 | S | 96 | Very high | 94.6 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 7% | 0.07 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.9 | -34 | 173.2 | 81.6 | 0 | 0 | 0 | 0 | 112.8 | G224 M305 M306 I307 F312 L313 | G224-S309 WeakPolarHBondContact O-CB 3.39Å; M305-S309 PolarHBondContact O-N 3.04Å; M306-S309 WeakPolarHBondContact O-CB 3.28Å; M306-S309 PolarHBondContact O-N 3.4Å; M306-S309 PolarHBondContact O-OG 3.04Å; I307-S309 VanDerWaalsContact C-N 3.27Å; I307-S309 PolarHBondContact O-N 3.35Å; S309-F312 PolarHBondContact O-N 3.39Å; S309-L313 WeakPolarHBondContact O-CG 3.28Å; S309-L313 PolarHBondContact O-N 3.07Å |
| 310 | G | 95.4 | Very high | 94.7 | Very high | 28 Ų | 28 | 33.6 Ų | 33.6 | 29% | 0.289 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.8 | -37.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M306 I307 L308 L313 N314 | M306-G310 PolarHBondContact O-N 3.49Å; I307-G310 WeakPolarHBondContact O-CA 3.42Å; I307-G310 PolarHBondContact O-N 3.34Å; L308-G310 PolarHBondContact O-N 2.99Å; G310-L313 PolarHBondContact O-N 2.93Å; G310-N314 PolarHBondContact O-N 3.17Å; G310-N314 PolarHBondContact O-ND2 3.48Å |
| 311 | F | 95.3 | Very high | 94.7 | Very high | 68 Ų | 68 | 32.8 Ų | 32.8 | 30% | 0.298 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.7 | -44.2 | 173.1 | -73.8 | -78.9 | 0 | 0 | 0 | 111.6 | I159 F288 M291 I307 L308 L313 N314 | I159-F311 HydrophobicContact CG2-CB 4.12Å; F288-F311 HydrophobicContact CE1-CB 4.33Å; F288-F311 HydrophobicContact CE1-CD1 4.29Å; F288-F311 HydrophobicContact CE1-CD2 4.28Å; F288-F311 HydrophobicContact CE1-CG 4.06Å; F288-F311 HydrophobicContact CZ-CB 4.48Å; F288-F311 HydrophobicContact CZ-CD1 4.17Å; F288-F311 HydrophobicContact CZ-CG 4.3Å; M291-F311 HydrophobicContact CE-CD2 4.23Å; M291-F311 HydrophobicContact CE-CE2 3.66Å; M291-F311 HydrophobicContact CE-CZ 3.9Å; M291-F311 HydrophobicContact SD-CE2 3.96Å; M291-F311 HydrophobicContact SD-CZ 3.77Å; I307-F311 HydrophobicContact CG2-CD2 4.35Å; I307-F311 HydrophobicContact CG2-CE2 3.9Å; I307-F311 WeakPolarHBondContact O-CD2 3.48Å; I307-F311 PolarHBondContact O-N 2.81Å; L308-F311 HydrophobicContact CD2-CD2 4.4Å; L308-F311 WeakPolarHBondContact O-CB 3.39Å; L308-F311 PolarHBondContact O-N 3.15Å; L308-F311 VanDerWaalsContact O-N 3.1Å; F311-L313 VanDerWaalsContact C-N 3.31Å; F311-L313 PolarHBondContact O-N 2.7Å; F311-N314 WeakPolarHBondContact O-CB 3.41Å; F311-N314 PolarHBondContact O-N 2.89Å; F311-N314 VanDerWaalsContact O-N 3.08Å |
| 312 | F | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.8 | -40.4 | 173.5 | -78.6 | -63.8 | 0 | 0 | 0 | 112.7 | I159 V163 C227 L308 S309 N314 M315 | I159-F312 HydrophobicContact CG2-CD1 4.23Å; V163-F312 HydrophobicContact CB-CE2 4.21Å; V163-F312 HydrophobicContact CB-CZ 3.85Å; V163-F312 HydrophobicContact CG1-CE2 3.6Å; V163-F312 HydrophobicContact CG1-CZ 3.63Å; V163-F312 HydrophobicContact CG2-CZ 4.41Å; C227-F312 HydrophobicContact CB-CD2 3.69Å; C227-F312 HydrophobicContact CB-CE2 3.87Å; L308-F312 WeakPolarHBondContact O-CD2 3.31Å; L308-F312 PolarHBondContact O-N 3.08Å; L308-F312 VanDerWaalsContact O-N 3.08Å; S309-F312 PolarHBondContact O-N 3.39Å; F312-N314 VanDerWaalsContact C-N 3.26Å; F312-N314 PolarHBondContact O-N 3Å; F312-M315 HydrophobicContact CD1-SD 3.66Å; F312-M315 HydrophobicContact CE1-SD 4.38Å; F312-M315 WeakPolarHBondContact O-CB 3.41Å; F312-M315 WeakPolarHBondContact O-CG 3.21Å; F312-M315 PolarHBondContact O-N 3.47Å |
| 313 | L | 95.9 | Very high | 94 | Very high | 71 Ų | 71 | 35.6 Ų | 35.6 | 37% | 0.372 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.9 | -28.6 | 176.2 | -71.2 | 173.2 | 0 | 0 | 0 | 113 | L221 S309 G310 F311 M315 I316 | L221-L313 HydrophobicContact CD1-CD2 4.06Å; S309-L313 WeakPolarHBondContact O-CG 3.28Å; S309-L313 PolarHBondContact O-N 3.07Å; G310-L313 PolarHBondContact O-N 2.93Å; F311-L313 VanDerWaalsContact C-N 3.31Å; F311-L313 PolarHBondContact O-N 2.7Å; L313-M315 PolarHBondContact O-N 2.85Å; L313-I316 HydrophobicContact CD2-CD1 3.89Å; L313-I316 VanDerWaalsContact O-CB 3.25Å; L313-I316 WeakPolarHBondContact O-CB 3.38Å; L313-I316 VanDerWaalsContact O-CG1 3.3Å; L313-I316 WeakPolarHBondContact O-CG1 3.46Å; L313-I316 PolarHBondContact O-N 3.37Å |
| 314 | N | 95.5 | Very high | 93.1 | Very high | 50 Ų | 50 | 39.4 Ų | 39.4 | 27% | 0.267 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66 | -17 | 173.8 | -80.7 | -76.6 | 0 | 0 | 0 | 113.1 | F31 G310 F311 F312 I316 V317 C318 | F31-N314 WeakPolarHBondContact CE1-OD1 3.14Å; F31-N314 HydrophobicContact CZ-CB 4.49Å; F31-N314 WeakPolarHBondContact CZ-OD1 2.76Å; G310-N314 PolarHBondContact O-N 3.17Å; G310-N314 PolarHBondContact O-ND2 3.48Å; F311-N314 WeakPolarHBondContact O-CB 3.41Å; F311-N314 PolarHBondContact O-N 2.89Å; F311-N314 VanDerWaalsContact O-N 3.08Å; F312-N314 VanDerWaalsContact C-N 3.26Å; F312-N314 PolarHBondContact O-N 3Å; N314-I316 PolarHBondContact O-N 3.48Å; N314-V317 WeakPolarHBondContact O-CB 3.41Å; N314-V317 PolarHBondContact O-N 3Å; N314-V317 VanDerWaalsContact O-N 3.1Å; N314-C318 PolarHBondContact O-N 3.38Å |
| 315 | M | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.3 | -20.5 | 171.2 | -61.2 | 169.8 | 40.1 | 0 | 0 | 112.5 | V156 I159 T160 C254 F312 L313 V317 C318 G319 | V156-M315 HydrophobicContact CG1-CE 4.24Å; I159-M315 HydrophobicContact CB-CG 4.26Å; I159-M315 HydrophobicContact CB-SD 4.24Å; I159-M315 HydrophobicContact CD1-CG 4.09Å; I159-M315 HydrophobicContact CG2-CG 4.05Å; I159-M315 HydrophobicContact CG2-SD 3.77Å; T160-M315 HydrophobicContact CG2-CE 3.34Å; T160-M315 HydrophobicContact CG2-SD 3.55Å; T160-M315 VanDerWaalsContact CG2-SD 3.55Å; C254-M315 HydrophobicContact CB-CE 3.21Å; C254-M315 WeakPolarHBondContact SG-CE 2.99Å; F312-M315 HydrophobicContact CD1-SD 3.66Å; F312-M315 HydrophobicContact CE1-SD 4.38Å; F312-M315 WeakPolarHBondContact O-CB 3.41Å; F312-M315 WeakPolarHBondContact O-CG 3.21Å; F312-M315 PolarHBondContact O-N 3.47Å; L313-M315 PolarHBondContact O-N 2.85Å; M315-V317 VanDerWaalsContact C-N 3.3Å; M315-V317 PolarHBondContact O-N 3.12Å; M315-C318 PolarHBondContact O-N 3.15Å; M315-G319 PolarHBondContact O-N 3.2Å |
| 316 | I | 96.3 | Very high | 90.6 | Very high | 45 Ų | 45 | 44.1 Ų | 44.1 | 23% | 0.231 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -39.9 | 172.1 | -59.7 | 173.6 | 0 | 0 | 0 | 110.1 | M217 L221 L313 N314 G319 A320 | M217-I316 HydrophobicContact CB-CG2 4.28Å; M217-I316 HydrophobicContact CE-CG2 3.67Å; M217-I316 HydrophobicContact CG-CG2 4.13Å; L221-I316 HydrophobicContact CB-CD1 4.16Å; L221-I316 HydrophobicContact CD1-CD1 4.34Å; L313-I316 HydrophobicContact CD2-CD1 3.89Å; L313-I316 VanDerWaalsContact O-CB 3.25Å; L313-I316 WeakPolarHBondContact O-CB 3.38Å; L313-I316 VanDerWaalsContact O-CG1 3.3Å; L313-I316 WeakPolarHBondContact O-CG1 3.46Å; L313-I316 PolarHBondContact O-N 3.37Å; N314-I316 PolarHBondContact O-N 3.48Å; I316-G319 PolarHBondContact O-N 3.33Å; I316-A320 WeakPolarHBondContact O-CB 3.29Å; I316-A320 PolarHBondContact O-N 3.35Å |
| 317 | V | 96 | Very high | 89 | Confident | 71 Ų | 71 | 43.7 Ų | 43.7 | 43% | 0.43 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.9 | -44.2 | 176.2 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | F31 N314 M315 G319 A320 L321 | F31-V317 HydrophobicContact CE1-CG2 4.44Å; N314-V317 WeakPolarHBondContact O-CB 3.41Å; N314-V317 PolarHBondContact O-N 3Å; N314-V317 VanDerWaalsContact O-N 3.1Å; M315-V317 VanDerWaalsContact C-N 3.3Å; M315-V317 PolarHBondContact O-N 3.12Å; V317-G319 PolarHBondContact O-N 3.21Å; V317-A320 WeakPolarHBondContact O-CB 3.31Å; V317-A320 PolarHBondContact O-N 3.25Å; V317-A320 VanDerWaalsContact O-N 3.17Å; V317-L321 PolarHBondContact O-N 3.43Å |
| 318 | C | 94.4 | Very high | 87.2 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 9% | 0.088 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 175.8 | -58 | 0 | 0 | 0 | 0 | 111.6 | A152 V156 N314 M315 A320 L321 | A152-C318 HydrophobicContact CB-CB 4.4Å; V156-C318 HydrophobicContact CG2-CB 3.57Å; N314-C318 PolarHBondContact O-N 3.38Å; M315-C318 PolarHBondContact O-N 3.15Å; C318-A320 VanDerWaalsContact C-N 3.3Å; C318-A320 PolarHBondContact O-N 2.89Å; C318-L321 WeakPolarHBondContact O-CB 3.43Å; C318-L321 PolarHBondContact O-N 3.44Å |
| 319 | G | 92.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.1 | -35.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R213 C216 M315 I316 V317 L321 M322 | R213-G319 WeakPolarHBondContact CG-O 3.35Å; C216-G319 VanDerWaalsContact SG-CA 3.55Å; M315-G319 PolarHBondContact O-N 3.2Å; I316-G319 PolarHBondContact O-N 3.33Å; V317-G319 PolarHBondContact O-N 3.21Å; G319-L321 VanDerWaalsContact C-N 3.26Å; G319-L321 PolarHBondContact O-N 3.31Å; G319-M322 WeakPolarHBondContact O-CB 3.45Å; G319-M322 PolarHBondContact O-N 3.35Å |
| 320 | A | 93.4 | Very high | 84.1 | Confident | 35 Ų | 35 | 52.3 Ų | 52.3 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.6 | -27 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R213 M217 I316 V317 C318 M322 | R213-A320 PolarHBondContact NE-O 3.41Å; M217-A320 HydrophobicContact SD-CB 4.37Å; I316-A320 WeakPolarHBondContact O-CB 3.29Å; I316-A320 PolarHBondContact O-N 3.35Å; V317-A320 WeakPolarHBondContact O-CB 3.31Å; V317-A320 PolarHBondContact O-N 3.25Å; V317-A320 VanDerWaalsContact O-N 3.17Å; C318-A320 VanDerWaalsContact C-N 3.3Å; C318-A320 PolarHBondContact O-N 2.89Å; A320-M322 VanDerWaalsContact C-N 3.34Å |
| 321 | L | 92.7 | Very high | 82.5 | Confident | 67 Ų | 67 | 52.3 Ų | 52.3 | 35% | 0.351 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -75.3 | -19.6 | 176.5 | -66.1 | 169.8 | 0 | 0 | 0 | 113.3 | W145 A152 V317 C318 G319 R323 | W145-L321 HydrophobicContact CZ2-CD2 4.37Å; W145-L321 PolarHBondContact NE1-O 2.92Å; W145-L321 VanDerWaalsContact NE1-O 3.09Å; A152-L321 HydrophobicContact CB-CB 4.06Å; A152-L321 HydrophobicContact CB-CD1 3.96Å; V317-L321 PolarHBondContact O-N 3.43Å; C318-L321 WeakPolarHBondContact O-CB 3.43Å; C318-L321 PolarHBondContact O-N 3.44Å; G319-L321 VanDerWaalsContact C-N 3.26Å; G319-L321 PolarHBondContact O-N 3.31Å; L321-R323 VanDerWaalsContact C-N 3.34Å; L321-R323 PolarHBondContact O-N 2.91Å |
| 322 | M | 88.6 | Confident | 81.3 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | trans | -72.9 | 83.2 | 179 | -59.3 | -177.6 | -174.1 | 0 | 0 | 110.8 | T153 V156 R213 C216 A258 V261 G319 A320 | T153-M322 HydrophobicContact CG2-CE 3.68Å; V156-M322 HydrophobicContact CG2-CE 4.14Å; R213-M322 WeakPolarHBondContact CB-O 3.36Å; C216-M322 HydrophobicContact CB-CE 4.44Å; C216-M322 HydrophobicContact CB-SD 4Å; A258-M322 HydrophobicContact CB-CE 4.28Å; V261-M322 HydrophobicContact CG1-CE 4.46Å; V261-M322 HydrophobicContact CG1-CG 4.27Å; V261-M322 HydrophobicContact CG1-SD 3.94Å; V261-M322 HydrophobicContact CG2-CB 4.42Å; G319-M322 WeakPolarHBondContact O-CB 3.45Å; G319-M322 PolarHBondContact O-N 3.35Å; A320-M322 VanDerWaalsContact C-N 3.34Å | ||
| 323 | R | 83.9 | Confident | 80.3 | Confident | 138 Ų | 138 | 57.6 Ų | 57.6 | 52% | 0.521 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 132.4 | 176.5 | -171 | 177.5 | -174.4 | 173.4 | 2.6 | 109.4 | Y96 Y265 L321 V325 | Y96-R323 PolarHBondContact OH-NH2 3.14Å; Y265-R323 PolarHBondContact OH-O 3.01Å; L321-R323 VanDerWaalsContact C-N 3.34Å; L321-R323 PolarHBondContact O-N 2.91Å; R323-V325 PolarHBondContact O-N 2.96Å |
| 324 | P | 74.6 | Confident | 79.2 | Confident | 97 Ų | 97 | 60.2 Ų | 60.2 | 63% | 0.63 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 124.4 | 176.4 | 25.4 | -33.6 | 0 | 0 | 0 | 109.6 | ||
| 325 | V | 71.7 | Confident | 78.2 | Confident | 40 Ų | 40 | 61 Ų | 61 | 24% | 0.242 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 134.6 | 172.4 | -174 | 0 | 0 | 0 | 0 | 107.8 | P141 Y265 R323 T327 | P141-V325 HydrophobicContact CG-CG1 4.49Å; Y265-V325 HydrophobicContact CD1-CG2 3.87Å; Y265-V325 HydrophobicContact CD2-CG2 3.36Å; Y265-V325 HydrophobicContact CE1-CG2 3.61Å; Y265-V325 HydrophobicContact CE2-CG2 3.03Å; Y265-V325 HydrophobicContact CG-CG2 3.76Å; R323-V325 PolarHBondContact O-N 2.96Å; V325-T327 PolarHBondContact O-N 3.26Å |
| 326 | E | 63 | Low | 77.3 | Confident | 59 Ų | 59 | 68.1 Ų | 68.1 | 28% | 0.276 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 123 | 169.2 | -176.4 | -177.8 | -163.3 | 0 | 0 | 109.4 | E330 K331 R334 | E326-E330 HydrophobicContact CG-CB 3.61Å; E326-E330 VanDerWaalsContact OE1-C 3.25Å; E326-K331 HydrophobicContact CG-CB 4.23Å; E326-K331 VanDerWaalsContact OE1-CA 3.25Å; E326-K331 WeakPolarHBondContact OE1-CA 3.25Å; E326-K331 PolarHBondContact OE1-N 3.38Å; E326-K331 VanDerWaalsContact OE1-N 3.16Å; E326-R334 IonicContact OE1-CZ 3.31Å; E326-R334 IonicContact OE1-NE 2.75Å; E326-R334 PolarHBondContact OE1-NE 3.32Å; E326-R334 IonicContact OE1-NH2 3.74Å; E326-R334 PolarHBondContact OE1-NH2 3.18Å; E326-R334 IonicContact OE2-CZ 2.84Å; E326-R334 VanDerWaalsContact OE2-CZ 3.3Å; E326-R334 IonicContact OE2-NE 3.69Å; E326-R334 PolarHBondContact OE2-NE 3.11Å; E326-R334 IonicContact OE2-NH2 2.72Å; E326-R334 PolarHBondContact OE2-NH2 3.35Å |
| 327 | T | 63 | Low | 76.7 | Confident | 63 Ų | 63 | 66.6 Ų | 66.6 | 39% | 0.387 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 151.6 | 177.5 | 60.3 | 0 | 0 | 0 | 0 | 111 | V325 V329 E330 K331 | V325-T327 PolarHBondContact O-N 3.26Å; T327-V329 PolarHBondContact O-N 3.38Å; T327-E330 PolarHBondContact N-OE2 3.49Å; T327-E330 PolarHBondContact O-N 2.86Å; T327-E330 VanDerWaalsContact OG1-CD 3.28Å; T327-E330 VanDerWaalsContact OG1-CG 3.27Å; T327-E330 WeakPolarHBondContact OG1-CG 3.41Å; T327-E330 PolarHBondContact OG1-N 3.34Å; T327-E330 PolarHBondContact OG1-OE2 3.09Å; T327-K331 WeakPolarHBondContact O-CB 3.15Å; T327-K331 PolarHBondContact O-N 2.94Å |
| 328 | D | 57 | Low | 76 | Confident | 96 Ų | 96 | 65.8 Ų | 65.8 | 51% | 0.513 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.4 | -23.2 | 177.6 | -73.2 | -45.3 | 0 | 0 | 0 | 113.7 | K331 R332 | D328-K331 IonicContact OD1-NZ 3.42Å; D328-R332 WeakPolarHBondContact O-CB 3.45Å; D328-R332 WeakPolarHBondContact O-CG 3.42Å; D328-R332 PolarHBondContact O-N 2.97Å; D328-R332 PolarHBondContact O-NE 3.46Å |
| 329 | V | 62 | Low | 75.4 | Confident | 65 Ų | 65 | 71.8 Ų | 71.8 | 39% | 0.394 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.1 | -53.5 | 173.3 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | T327 K331 R332 H333 | T327-V329 PolarHBondContact O-N 3.38Å; V329-K331 VanDerWaalsContact C-N 3.25Å; V329-K331 PolarHBondContact O-N 3.04Å; V329-R332 PolarHBondContact O-N 3.44Å; V329-H333 VanDerWaalsContact CG1-CE1 3.43Å; V329-H333 WeakPolarHBondContact CG1-CE1 3.34Å; V329-H333 PolarHBondContact O-N 3.37Å; V329-H333 PolarHBondContact O-ND1 3.18Å |
| 330 | E | 64.9 | Low | 74.9 | Confident | 91 Ų | 91 | 72.9 Ų | 72.9 | 43% | 0.425 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.7 | -41.1 | 177.5 | -70.4 | 166.3 | 139 | 0 | 0 | 111.4 | E326 T327 H333 R334 | E326-E330 HydrophobicContact CG-CB 3.61Å; E326-E330 VanDerWaalsContact OE1-C 3.25Å; T327-E330 PolarHBondContact N-OE2 3.49Å; T327-E330 PolarHBondContact O-N 2.86Å; T327-E330 VanDerWaalsContact OG1-CD 3.28Å; T327-E330 VanDerWaalsContact OG1-CG 3.27Å; T327-E330 WeakPolarHBondContact OG1-CG 3.41Å; T327-E330 PolarHBondContact OG1-N 3.34Å; T327-E330 PolarHBondContact OG1-OE2 3.09Å; E330-H333 CarbonylContact O-C 3.43Å; E330-H333 WeakPolarHBondContact O-CB 3.46Å; E330-H333 PolarHBondContact O-N 2.82Å; E330-H333 VanDerWaalsContact O-N 3.15Å; E330-R334 PolarHBondContact O-N 2.84Å |
| 331 | K | 62.1 | Low | 74.3 | Confident | 28 Ų | 28 | 74 Ų | 74 | 12% | 0.122 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 176.6 | -174.9 | 176.1 | 165.8 | -168.2 | 0 | 112.9 | P138 E326 T327 D328 V329 H333 R334 Q335 | P138-K331 HydrophobicContact CG-CD 4.42Å; P138-K331 PolarHBondContact O-NZ 2.98Å; E326-K331 HydrophobicContact CG-CB 4.23Å; E326-K331 VanDerWaalsContact OE1-CA 3.25Å; E326-K331 WeakPolarHBondContact OE1-CA 3.25Å; E326-K331 PolarHBondContact OE1-N 3.38Å; E326-K331 VanDerWaalsContact OE1-N 3.16Å; T327-K331 WeakPolarHBondContact O-CB 3.15Å; T327-K331 PolarHBondContact O-N 2.94Å; D328-K331 IonicContact OD1-NZ 3.42Å; V329-K331 VanDerWaalsContact C-N 3.25Å; V329-K331 PolarHBondContact O-N 3.04Å; K331-H333 VanDerWaalsContact C-N 3.31Å; K331-H333 PolarHBondContact O-N 2.79Å; K331-R334 PolarHBondContact O-N 3.01Å; K331-Q335 WeakPolarHBondContact O-CG 3.35Å; K331-Q335 PolarHBondContact O-N 2.98Å |
| 332 | R | 68.9 | Low | 73.8 | Confident | 135 Ų | 135 | 74.4 Ų | 74.4 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 172.2 | -85.1 | -175.8 | -74.7 | -160.2 | -3.3 | 112 | D328 V329 Q335 R336 | D328-R332 WeakPolarHBondContact O-CB 3.45Å; D328-R332 WeakPolarHBondContact O-CG 3.42Å; D328-R332 PolarHBondContact O-N 2.97Å; D328-R332 PolarHBondContact O-NE 3.46Å; V329-R332 PolarHBondContact O-N 3.44Å; R332-Q335 PolarHBondContact O-N 3.33Å; R332-R336 WeakPolarHBondContact O-CB 3.28Å; R332-R336 VanDerWaalsContact O-CG 3.25Å; R332-R336 WeakPolarHBondContact O-CG 3.5Å; R332-R336 PolarHBondContact O-N 3.14Å |
| 333 | H | 74.7 | Confident | 73.4 | Confident | 45 Ų | 45 | 76.2 Ų | 76.2 | 21% | 0.208 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65 | -42.7 | 173.8 | -69.2 | 103.1 | 0 | 0 | 0 | 111.1 | V329 E330 K331 R336 L337 V362 L363 I366 | V329-H333 VanDerWaalsContact CG1-CE1 3.43Å; V329-H333 WeakPolarHBondContact CG1-CE1 3.34Å; V329-H333 PolarHBondContact O-N 3.37Å; V329-H333 PolarHBondContact O-ND1 3.18Å; E330-H333 CarbonylContact O-C 3.43Å; E330-H333 WeakPolarHBondContact O-CB 3.46Å; E330-H333 PolarHBondContact O-N 2.82Å; E330-H333 VanDerWaalsContact O-N 3.15Å; K331-H333 VanDerWaalsContact C-N 3.31Å; K331-H333 PolarHBondContact O-N 2.79Å; H333-R336 PolarHBondContact O-N 3Å; H333-L337 VanDerWaalsContact O-CB 3.28Å; H333-L337 WeakPolarHBondContact O-CB 3.35Å; H333-L337 PolarHBondContact O-N 3.41Å; H333-V362 HydrophobicContact CB-CG1 3.69Å; H333-L363 WeakPolarHBondContact CD2-CD1 3.19Å; H333-L363 VanDerWaalsContact NE2-CD1 3.27Å; H333-L363 WeakPolarHBondContact NE2-CD1 3.46Å; H333-I366 HydrophobicContact CB-CD1 4.05Å; H333-I366 WeakPolarHBondContact O-CD1 3.49Å |
| 334 | R | 72.9 | Confident | 73.2 | Confident | 125 Ų | 125 | 69.9 Ų | 69.9 | 47% | 0.472 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 174 | -78.3 | -148.5 | -94.4 | -118.7 | 6.4 | 113 | E326 E330 K331 L337 A338 V362 | E326-R334 IonicContact OE1-CZ 3.31Å; E326-R334 IonicContact OE1-NE 2.75Å; E326-R334 PolarHBondContact OE1-NE 3.32Å; E326-R334 IonicContact OE1-NH2 3.74Å; E326-R334 PolarHBondContact OE1-NH2 3.18Å; E326-R334 IonicContact OE2-CZ 2.84Å; E326-R334 VanDerWaalsContact OE2-CZ 3.3Å; E326-R334 IonicContact OE2-NE 3.69Å; E326-R334 PolarHBondContact OE2-NE 3.11Å; E326-R334 IonicContact OE2-NH2 2.72Å; E326-R334 PolarHBondContact OE2-NH2 3.35Å; E330-R334 PolarHBondContact O-N 2.84Å; K331-R334 PolarHBondContact O-N 3.01Å; R334-L337 WeakPolarHBondContact O-CB 3.24Å; R334-L337 PolarHBondContact O-N 2.98Å; R334-A338 WeakPolarHBondContact O-CB 3.36Å; R334-A338 PolarHBondContact O-N 3.35Å; R334-V362 HydrophobicContact CG-CG1 4.27Å; R334-V362 HydrophobicContact CG-CG2 4.15Å |
| 335 | Q | 74.7 | Confident | 73.4 | Confident | 67 Ų | 67 | 73.6 Ų | 73.6 | 31% | 0.313 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 175.4 | -73.6 | 175.8 | -25.2 | 0 | 0 | 111.8 | K331 R332 L337 A338 W339 | K331-Q335 WeakPolarHBondContact O-CG 3.35Å; K331-Q335 PolarHBondContact O-N 2.98Å; R332-Q335 PolarHBondContact O-N 3.33Å; Q335-L337 VanDerWaalsContact C-N 3.31Å; Q335-L337 PolarHBondContact O-N 3.22Å; Q335-A338 PolarHBondContact O-N 3.16Å; Q335-W339 VanDerWaalsContact O-CB 3.31Å; Q335-W339 WeakPolarHBondContact O-CB 3.45Å; Q335-W339 PolarHBondContact O-N 3.45Å |
| 336 | R | 76.5 | Confident | 73.7 | Confident | 150 Ų | 150 | 77.5 Ų | 77.5 | 57% | 0.566 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.9 | -41.3 | 173.3 | -77.3 | 175 | 176.1 | 178 | -2.3 | 111.7 | R332 H333 W339 L340 I366 | R332-R336 WeakPolarHBondContact O-CB 3.28Å; R332-R336 VanDerWaalsContact O-CG 3.25Å; R332-R336 WeakPolarHBondContact O-CG 3.5Å; R332-R336 PolarHBondContact O-N 3.14Å; H333-R336 PolarHBondContact O-N 3Å; R336-W339 PolarHBondContact O-N 3.15Å; R336-L340 WeakPolarHBondContact O-CB 3.24Å; R336-L340 VanDerWaalsContact O-CG 3.29Å; R336-L340 WeakPolarHBondContact O-CG 3.37Å; R336-L340 PolarHBondContact O-N 2.99Å; R336-I366 HydrophobicContact CB-CD1 4.22Å |
| 337 | L | 82.5 | Confident | 74.3 | Confident | 12 Ų | 12 | 78 Ų | 78 | 6% | 0.063 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.3 | -50.8 | 176.9 | 179.7 | 62.8 | 0 | 0 | 0 | 110.8 | H333 R334 Q335 W339 L340 E341 Y357 V362 R365 I366 L369 | H333-L337 VanDerWaalsContact O-CB 3.28Å; H333-L337 WeakPolarHBondContact O-CB 3.35Å; H333-L337 PolarHBondContact O-N 3.41Å; R334-L337 WeakPolarHBondContact O-CB 3.24Å; R334-L337 PolarHBondContact O-N 2.98Å; Q335-L337 VanDerWaalsContact C-N 3.31Å; Q335-L337 PolarHBondContact O-N 3.22Å; L337-W339 VanDerWaalsContact C-N 3.27Å; L337-W339 PolarHBondContact O-N 2.96Å; L337-L340 PolarHBondContact O-N 3.18Å; L337-L340 VanDerWaalsContact O-N 3.12Å; L337-E341 HydrophobicContact CD1-CG 4.25Å; L337-E341 HydrophobicContact CG-CG 4.41Å; L337-E341 WeakPolarHBondContact O-CB 3.38Å; L337-E341 WeakPolarHBondContact O-CG 3.45Å; L337-E341 PolarHBondContact O-N 3.49Å; L337-Y357 WeakPolarHBondContact CD1-OH 3.5Å; L337-V362 HydrophobicContact CB-CG1 4.09Å; L337-V362 HydrophobicContact CD2-CB 4.49Å; L337-V362 HydrophobicContact CD2-CG1 3.9Å; L337-R365 HydrophobicContact CD1-CB 3.59Å; L337-R365 HydrophobicContact CD2-CB 4.13Å; L337-I366 HydrophobicContact CB-CD1 4.35Å; L337-I366 HydrophobicContact CB-CG1 3.9Å; L337-I366 HydrophobicContact CD1-CG1 3.98Å; L337-L369 HydrophobicContact CD1-CD1 3.59Å |
| 338 | A | 80.9 | Confident | 74.5 | Confident | 55 Ų | 55 | 78.1 Ų | 78.1 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | R334 Q335 H342 | R334-A338 WeakPolarHBondContact O-CB 3.36Å; R334-A338 PolarHBondContact O-N 3.35Å; Q335-A338 PolarHBondContact O-N 3.16Å; A338-H342 VanDerWaalsContact O-CB 3.3Å; A338-H342 WeakPolarHBondContact O-CB 3.18Å; A338-H342 PolarHBondContact O-N 2.9Å |
| 339 | W | 82 | Confident | 75 | Confident | 138 Ų | 138 | 75.8 Ų | 75.8 | 52% | 0.523 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 174.5 | -177.1 | 81 | 0 | 0 | 0 | 112.3 | Q335 R336 L337 H342 L343 | Q335-W339 VanDerWaalsContact O-CB 3.31Å; Q335-W339 WeakPolarHBondContact O-CB 3.45Å; Q335-W339 PolarHBondContact O-N 3.45Å; R336-W339 PolarHBondContact O-N 3.15Å; L337-W339 VanDerWaalsContact C-N 3.27Å; L337-W339 PolarHBondContact O-N 2.96Å; W339-H342 WeakPolarHBondContact O-CB 3.47Å; W339-H342 PolarHBondContact O-N 3.28Å; W339-L343 HydrophobicContact CD2-CD1 3.81Å; W339-L343 HydrophobicContact CD2-CG 4.35Å; W339-L343 HydrophobicContact CE3-CD1 3.62Å; W339-L343 HydrophobicContact CH2-CD1 3.27Å; W339-L343 HydrophobicContact CZ2-CD1 3.45Å; W339-L343 VanDerWaalsContact CZ2-CD1 3.45Å; W339-L343 HydrophobicContact CZ2-CG 4.3Å; W339-L343 HydrophobicContact CZ3-CD1 3.34Å; W339-L343 WeakPolarHBondContact O-CG 3.23Å; W339-L343 PolarHBondContact O-N 3.14Å |
| 340 | L | 82 | Confident | 75.1 | Confident | 23 Ų | 23 | 77.2 Ų | 77.2 | 12% | 0.12 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 175.4 | -75.4 | 170.2 | 0 | 0 | 0 | 112.5 | R336 L337 H342 L343 A344 I366 L369 M373 | R336-L340 WeakPolarHBondContact O-CB 3.24Å; R336-L340 VanDerWaalsContact O-CG 3.29Å; R336-L340 WeakPolarHBondContact O-CG 3.37Å; R336-L340 PolarHBondContact O-N 2.99Å; L337-L340 PolarHBondContact O-N 3.18Å; L337-L340 VanDerWaalsContact O-N 3.12Å; L340-H342 VanDerWaalsContact C-N 3.32Å; L340-L343 PolarHBondContact O-N 2.95Å; L340-A344 VanDerWaalsContact O-CB 3.32Å; L340-A344 WeakPolarHBondContact O-CB 3.11Å; L340-A344 PolarHBondContact O-N 2.8Å; L340-I366 HydrophobicContact CD1-CB 4.25Å; L340-I366 HydrophobicContact CD1-CG1 4.25Å; L340-I366 HydrophobicContact CD1-CG2 3.75Å; L340-L369 HydrophobicContact CB-CB 4.4Å; L340-L369 HydrophobicContact CB-CD1 3.96Å; L340-M373 HydrophobicContact CD2-CE 4.35Å |
| 341 | E | 82.5 | Confident | 74.9 | Confident | 60 Ų | 60 | 76.9 Ų | 76.9 | 28% | 0.28 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 174.6 | -74.2 | 179.4 | 167.1 | 0 | 0 | 111.2 | L337 A344 R345 Y357 L369 | L337-E341 HydrophobicContact CD1-CG 4.25Å; L337-E341 HydrophobicContact CG-CG 4.41Å; L337-E341 WeakPolarHBondContact O-CB 3.38Å; L337-E341 WeakPolarHBondContact O-CG 3.45Å; L337-E341 PolarHBondContact O-N 3.49Å; E341-A344 PolarHBondContact O-N 3.49Å; E341-R345 WeakPolarHBondContact O-CG 2.85Å; E341-R345 PolarHBondContact O-N 2.69Å; E341-Y357 PolarHBondContact OE1-OH 3.33Å; E341-L369 HydrophobicContact CG-CD1 3.66Å |
| 342 | H | 80.4 | Confident | 75.1 | Confident | 75 Ų | 75 | 77.6 Ų | 77.6 | 35% | 0.347 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 173.7 | -177.9 | 56.2 | 0 | 0 | 0 | 111.6 | A338 W339 L340 A344 R345 E346 | A338-H342 VanDerWaalsContact O-CB 3.3Å; A338-H342 WeakPolarHBondContact O-CB 3.18Å; A338-H342 PolarHBondContact O-N 2.9Å; W339-H342 WeakPolarHBondContact O-CB 3.47Å; W339-H342 PolarHBondContact O-N 3.28Å; L340-H342 VanDerWaalsContact C-N 3.32Å; H342-A344 VanDerWaalsContact C-N 3.34Å; H342-A344 PolarHBondContact O-N 3.13Å; H342-R345 WeakPolarHBondContact O-CB 3.46Å; H342-R345 PolarHBondContact O-N 3.4Å; H342-E346 IonicContact CE1-OE1 3.7Å; H342-E346 IonicContact NE2-OE1 2.6Å; H342-E346 PolarHBondContact NE2-OE1 3.12Å; H342-E346 PolarHBondContact O-N 3.3Å |
| 343 | L | 81.6 | Confident | 74.8 | Confident | 39 Ų | 39 | 78 Ų | 78 | 20% | 0.204 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 175.1 | -75.2 | 177.5 | 0 | 0 | 0 | 113.2 | W339 L340 R345 E346 S347 M373 | W339-L343 HydrophobicContact CD2-CD1 3.81Å; W339-L343 HydrophobicContact CD2-CG 4.35Å; W339-L343 HydrophobicContact CE3-CD1 3.62Å; W339-L343 HydrophobicContact CH2-CD1 3.27Å; W339-L343 HydrophobicContact CZ2-CD1 3.45Å; W339-L343 VanDerWaalsContact CZ2-CD1 3.45Å; W339-L343 HydrophobicContact CZ2-CG 4.3Å; W339-L343 HydrophobicContact CZ3-CD1 3.34Å; W339-L343 WeakPolarHBondContact O-CG 3.23Å; W339-L343 PolarHBondContact O-N 3.14Å; L340-L343 PolarHBondContact O-N 2.95Å; L343-R345 VanDerWaalsContact C-N 3.31Å; L343-R345 PolarHBondContact O-N 2.86Å; L343-E346 PolarHBondContact O-N 2.93Å; L343-S347 WeakPolarHBondContact O-CB 3.29Å; L343-S347 PolarHBondContact O-N 2.95Å; L343-S347 PolarHBondContact O-OG 2.97Å; L343-M373 HydrophobicContact CB-CE 3.76Å; L343-M373 HydrophobicContact CD1-CE 4.05Å |
| 344 | A | 79.7 | Confident | 74.3 | Confident | 4 Ų | 4 | 78.9 Ų | 78.9 | 3% | 0.033 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L340 E341 H342 S347 G348 L349 F352 L369 | L340-A344 VanDerWaalsContact O-CB 3.32Å; L340-A344 WeakPolarHBondContact O-CB 3.11Å; L340-A344 PolarHBondContact O-N 2.8Å; E341-A344 PolarHBondContact O-N 3.49Å; H342-A344 VanDerWaalsContact C-N 3.34Å; H342-A344 PolarHBondContact O-N 3.13Å; A344-S347 WeakPolarHBondContact CA-OG 3.35Å; A344-S347 PolarHBondContact O-N 3.46Å; A344-S347 PolarHBondContact O-OG 3.29Å; A344-G348 PolarHBondContact O-N 3.41Å; A344-L349 WeakPolarHBondContact O-CB 3.34Å; A344-L349 PolarHBondContact O-N 2.85Å; A344-L349 VanDerWaalsContact O-N 3.09Å; A344-F352 HydrophobicContact CB-CE2 4.21Å; A344-L369 HydrophobicContact CB-CD2 3.85Å |
| 345 | R | 78.1 | Confident | 73.8 | Confident | 176 Ų | 176 | 76.7 Ų | 76.7 | 66% | 0.664 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -66.3 | -41.9 | 173.8 | -74.8 | 175.8 | 178.1 | 178.7 | -0.1 | 112.4 | E341 H342 L343 S347 G348 | E341-R345 WeakPolarHBondContact O-CG 2.85Å; E341-R345 PolarHBondContact O-N 2.69Å; H342-R345 WeakPolarHBondContact O-CB 3.46Å; H342-R345 PolarHBondContact O-N 3.4Å; L343-R345 VanDerWaalsContact C-N 3.31Å; L343-R345 PolarHBondContact O-N 2.86Å; R345-S347 VanDerWaalsContact C-N 3.32Å; R345-S347 PolarHBondContact O-N 3.39Å; R345-G348 PolarHBondContact O-N 3.36Å |
| 346 | E | 78.4 | Confident | 73.5 | Confident | 122 Ų | 122 | 79.6 Ų | 79.6 | 57% | 0.57 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -67.8 | -31.4 | 177.8 | -73.1 | -166.5 | 154.8 | 0 | 0 | 113.1 | H342 L343 G348 | H342-E346 IonicContact CE1-OE1 3.7Å; H342-E346 IonicContact NE2-OE1 2.6Å; H342-E346 PolarHBondContact NE2-OE1 3.12Å; H342-E346 PolarHBondContact O-N 3.3Å; L343-E346 PolarHBondContact O-N 2.93Å; E346-G348 PolarHBondContact O-N 3.41Å |
| 347 | S | 74.6 | Confident | 73.4 | Confident | 70 Ų | 70 | 72.6 Ų | 72.6 | 49% | 0.49 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 1.8 | 176.1 | 50.4 | 0 | 0 | 0 | 0 | 114.1 | L343 A344 R345 L349 | L343-S347 WeakPolarHBondContact O-CB 3.29Å; L343-S347 PolarHBondContact O-N 2.95Å; L343-S347 PolarHBondContact O-OG 2.97Å; A344-S347 WeakPolarHBondContact CA-OG 3.35Å; A344-S347 PolarHBondContact O-N 3.46Å; A344-S347 PolarHBondContact O-OG 3.29Å; R345-S347 VanDerWaalsContact C-N 3.32Å; R345-S347 PolarHBondContact O-N 3.39Å; S347-L349 WeakPolarHBondContact OG-CD1 3.44Å |
| 348 | G | 68 | Low | 73 | Confident | 65 Ų | 65 | 76.5 Ų | 76.5 | 67% | 0.67 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 18.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A344 R345 E346 | A344-G348 PolarHBondContact O-N 3.41Å; R345-G348 PolarHBondContact O-N 3.36Å; E346-G348 PolarHBondContact O-N 3.41Å |
| 349 | L | 68 | Low | 72.8 | Confident | 46 Ų | 46 | 80.9 Ų | 80.9 | 24% | 0.241 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 144 | 170.3 | -79.6 | 93.9 | 0 | 0 | 0 | 110.1 | A344 S347 F352 H372 | A344-L349 WeakPolarHBondContact O-CB 3.34Å; A344-L349 PolarHBondContact O-N 2.85Å; A344-L349 VanDerWaalsContact O-N 3.09Å; S347-L349 WeakPolarHBondContact OG-CD1 3.44Å; L349-F352 HydrophobicContact CB-CE2 4Å; L349-F352 HydrophobicContact CD2-CE2 3.73Å; L349-F352 HydrophobicContact CD2-CZ 3.54Å; L349-H372 HydrophobicContact CD2-CB 4.19Å |
| 350 | P | 64.5 | Low | 72.4 | Confident | 96 Ų | 96 | 78.9 Ų | 78.9 | 62% | 0.623 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 149.4 | 174.5 | 25.6 | -34 | 0 | 0 | 0 | 110.2 | F352 | P350-F352 PolarHBondContact O-N 2.79Å; P350-F352 VanDerWaalsContact O-N 3.09Å |
| 351 | P | 60.9 | Low | 72.2 | Confident | 84 Ų | 84 | 82.7 Ų | 82.7 | 55% | 0.545 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 121.9 | 175.1 | 23.6 | -32 | 0 | 0 | 0 | 109.2 | E353 | P351-E353 HydrophobicContact CB-CG 4.32Å; P351-E353 PolarHBondContact O-N 2.91Å |
| 352 | F | 64.5 | Low | 72 | Confident | 43 Ų | 43 | 81.8 Ų | 81.8 | 19% | 0.189 | 45% | 0.454 | C | S | . | . | trans | -73.2 | 78 | 176.4 | -73.1 | -84.5 | 0 | 0 | 0 | 109.4 | A344 L349 P350 Y357 L368 L369 H372 | A344-F352 HydrophobicContact CB-CE2 4.21Å; L349-F352 HydrophobicContact CB-CE2 4Å; L349-F352 HydrophobicContact CD2-CE2 3.73Å; L349-F352 HydrophobicContact CD2-CZ 3.54Å; P350-F352 PolarHBondContact O-N 2.79Å; P350-F352 VanDerWaalsContact O-N 3.09Å; F352-Y357 HydrophobicContact CB-CD1 3.91Å; F352-Y357 HydrophobicContact CB-CD2 4.28Å; F352-Y357 HydrophobicContact CB-CE1 4.05Å; F352-Y357 HydrophobicContact CB-CE2 4.4Å; F352-Y357 HydrophobicContact CB-CG 4.02Å; F352-Y357 WeakPolarHBondContact O-CD1 3.3Å; F352-L368 HydrophobicContact CD1-CD2 4.3Å; F352-L368 HydrophobicContact CE1-CD2 4.15Å; F352-L369 HydrophobicContact CD2-CD2 3.61Å; F352-L369 HydrophobicContact CE2-CD2 3.62Å; F352-L369 HydrophobicContact CG-CD2 4.32Å; F352-L369 HydrophobicContact CZ-CD2 4.32Å; F352-H372 HydrophobicContact CE1-CB 4.48Å; F352-H372 AromaticContact CE1-CD2 3.55Å; F352-H372 AromaticContact CE1-CG 3.86Å; F352-H372 AromaticContact CE1-NE2 3.81Å; F352-H372 HydrophobicContact CZ-CB 3.92Å; F352-H372 AromaticContact CZ-CD2 3.65Å; F352-H372 AromaticContact CZ-CG 3.77Å | ||
| 353 | E | 62.6 | Low | 71.9 | Confident | 143 Ų | 143 | 82.7 Ų | 82.7 | 67% | 0.668 | 46% | 0.461 | S | S | * | . | trans | -108.6 | 12.6 | 175.8 | -72 | 179.8 | 173.8 | 0 | 0 | 112.1 | P351 A355 | P351-E353 HydrophobicContact CB-CG 4.32Å; P351-E353 PolarHBondContact O-N 2.91Å; E353-A355 PolarHBondContact O-N 2.84Å | ||
| 354 | S | 65.9 | Low | 71.8 | Confident | 63 Ų | 63 | 81.6 Ų | 81.6 | 44% | 0.441 | 46% | 0.459 | S | S | . | . | trans | -62.5 | 139.7 | 175.7 | 58.6 | 0 | 0 | 0 | 0 | 110.7 | D356 Y357 L358 | S354-D356 PolarHBondContact O-N 3.41Å; S354-D356 VanDerWaalsContact O-N 3.15Å; S354-Y357 WeakPolarHBondContact O-CB 3.37Å; S354-Y357 PolarHBondContact O-N 3.33Å; S354-Y357 WeakPolarHBondContact OG-CB 3.31Å; S354-L358 PolarHBondContact O-N 3.45Å; S354-L358 VanDerWaalsContact O-N 3.14Å | ||
| 355 | A | 62.2 | Low | 71.9 | Confident | 79 Ų | 79 | 84 Ų | 84 | 65% | 0.653 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -52.6 | -37.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E353 Y357 L358 D359 | E353-A355 PolarHBondContact O-N 2.84Å; A355-Y357 VanDerWaalsContact C-N 3.3Å; A355-Y357 PolarHBondContact O-N 2.76Å; A355-L358 PolarHBondContact O-N 3.25Å; A355-D359 WeakPolarHBondContact O-CB 3.36Å; A355-D359 PolarHBondContact O-N 3.48Å |
| 356 | D | 67.8 | Low | 72.1 | Confident | 128 Ų | 128 | 76 Ų | 76 | 68% | 0.684 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.6 | -27.4 | 176.5 | -68.9 | -17.6 | 0 | 0 | 0 | 114.3 | S354 K360 | S354-D356 PolarHBondContact O-N 3.41Å; S354-D356 VanDerWaalsContact O-N 3.15Å; D356-K360 WeakPolarHBondContact O-CG 3.5Å |
| 357 | Y | 74.8 | Confident | 72.4 | Confident | 4 Ų | 4 | 76.2 Ų | 76.2 | 2% | 0.016 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -80.2 | -42.7 | 174.8 | 176.1 | -101.7 | 0 | 0 | 0 | 111 | L337 E341 F352 S354 A355 D359 K360 R365 L368 L369 | L337-Y357 WeakPolarHBondContact CD1-OH 3.5Å; E341-Y357 PolarHBondContact OE1-OH 3.33Å; F352-Y357 HydrophobicContact CB-CD1 3.91Å; F352-Y357 HydrophobicContact CB-CD2 4.28Å; F352-Y357 HydrophobicContact CB-CE1 4.05Å; F352-Y357 HydrophobicContact CB-CE2 4.4Å; F352-Y357 HydrophobicContact CB-CG 4.02Å; F352-Y357 WeakPolarHBondContact O-CD1 3.3Å; S354-Y357 WeakPolarHBondContact O-CB 3.37Å; S354-Y357 PolarHBondContact O-N 3.33Å; S354-Y357 WeakPolarHBondContact OG-CB 3.31Å; A355-Y357 VanDerWaalsContact C-N 3.3Å; A355-Y357 PolarHBondContact O-N 2.76Å; Y357-D359 VanDerWaalsContact C-N 3.29Å; Y357-D359 PolarHBondContact O-N 3.33Å; Y357-K360 PolarHBondContact O-N 3.05Å; Y357-R365 HydrophobicContact CD2-CB 4.36Å; Y357-R365 HydrophobicContact CD2-CG 4.06Å; Y357-R365 HydrophobicContact CE1-CG 4.27Å; Y357-R365 HydrophobicContact CE2-CB 3.59Å; Y357-R365 HydrophobicContact CE2-CG 3.67Å; Y357-R365 WeakPolarHBondContact O-CG 3.45Å; Y357-R365 PolarHBondContact O-NE 3.2Å; Y357-L368 HydrophobicContact CD2-CD1 4.34Å; Y357-L368 HydrophobicContact CD2-CD2 4.05Å; Y357-L369 HydrophobicContact CE2-CD1 4.23Å; Y357-L369 HydrophobicContact CE2-CG 4.04Å; Y357-L369 VanDerWaalsContact OH-CD1 3.25Å; Y357-L369 WeakPolarHBondContact OH-CD1 3.47Å |
| 358 | L | 73.7 | Confident | 72.8 | Confident | 94 Ų | 94 | 74.1 Ų | 74.1 | 49% | 0.492 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.4 | -29 | -179.5 | -78.2 | 156.8 | 0 | 0 | 0 | 112.7 | S354 A355 K360 R365 | S354-L358 PolarHBondContact O-N 3.45Å; S354-L358 VanDerWaalsContact O-N 3.14Å; A355-L358 PolarHBondContact O-N 3.25Å; L358-K360 VanDerWaalsContact C-N 3.31Å; L358-K360 PolarHBondContact O-N 2.93Å; L358-R365 PolarHBondContact O-NH2 3.44Å |
| 359 | D | 75.6 | Confident | 73.5 | Confident | 147 Ų | 147 | 71 Ų | 71 | 79% | 0.786 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -22.9 | 177.5 | -165.2 | 48.8 | 0 | 0 | 0 | 113.4 | A355 Y357 | A355-D359 WeakPolarHBondContact O-CB 3.36Å; A355-D359 PolarHBondContact O-N 3.48Å; Y357-D359 VanDerWaalsContact C-N 3.29Å; Y357-D359 PolarHBondContact O-N 3.33Å |
| 360 | K | 75 | Confident | 74.1 | Confident | 95 Ų | 95 | 75.1 Ų | 75.1 | 41% | 0.413 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -75.4 | 147.2 | -179.5 | -69.6 | -175.2 | -177 | -169.7 | 0 | 112.5 | D356 Y357 L358 R365 L368 | D356-K360 WeakPolarHBondContact O-CG 3.5Å; Y357-K360 PolarHBondContact O-N 3.05Å; L358-K360 VanDerWaalsContact C-N 3.31Å; L358-K360 PolarHBondContact O-N 2.93Å; K360-R365 HydrophobicContact CB-CG 4.05Å; K360-R365 PolarHBondContact O-NE 3.07Å; K360-R365 VanDerWaalsContact O-NE 3.09Å; K360-L368 HydrophobicContact CD-CD1 3.93Å |
| 361 | D | 78.1 | Confident | 74.8 | Confident | 104 Ų | 104 | 74.6 Ų | 74.6 | 56% | 0.556 | 39% | 0.392 | S | S | * | . | trans | -62.9 | 163.8 | 169.2 | 71.1 | -35.6 | 0 | 0 | 0 | 111.3 | L363 G364 R365 | D361-L363 PolarHBondContact O-N 3.46Å; D361-L363 VanDerWaalsContact O-N 3.13Å; D361-L363 WeakPolarHBondContact OD2-CB 3.29Å; D361-G364 PolarHBondContact O-N 3.39Å; D361-G364 VanDerWaalsContact OD1-CA 3.22Å; D361-G364 WeakPolarHBondContact OD1-CA 3.26Å; D361-G364 PolarHBondContact OD1-N 3.26Å; D361-R365 WeakPolarHBondContact O-CG 2.81Å; D361-R365 PolarHBondContact O-N 2.92Å | ||
| 362 | V | 77.8 | Confident | 75.4 | Confident | 40 Ų | 40 | 75 Ų | 75 | 24% | 0.242 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -53.7 | -38.8 | -177.9 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | H333 R334 L337 R365 I366 | H333-V362 HydrophobicContact CB-CG1 3.69Å; R334-V362 HydrophobicContact CG-CG1 4.27Å; R334-V362 HydrophobicContact CG-CG2 4.15Å; L337-V362 HydrophobicContact CB-CG1 4.09Å; L337-V362 HydrophobicContact CD2-CB 4.49Å; L337-V362 HydrophobicContact CD2-CG1 3.9Å; V362-R365 PolarHBondContact O-N 3.42Å; V362-I366 HydrophobicContact CG1-CD1 4.15Å; V362-I366 VanDerWaalsContact O-CG1 3.23Å; V362-I366 WeakPolarHBondContact O-CG1 3.25Å; V362-I366 PolarHBondContact O-N 2.9Å |
| 363 | L | 78.2 | Confident | 75.8 | Confident | 94 Ų | 94 | 75.9 Ų | 75.9 | 49% | 0.492 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.9 | -43.9 | 178.5 | -135.6 | 75.2 | 0 | 0 | 0 | 112.3 | H333 D361 R365 I366 K367 | H333-L363 WeakPolarHBondContact CD2-CD1 3.19Å; H333-L363 VanDerWaalsContact NE2-CD1 3.27Å; H333-L363 WeakPolarHBondContact NE2-CD1 3.46Å; D361-L363 PolarHBondContact O-N 3.46Å; D361-L363 VanDerWaalsContact O-N 3.13Å; D361-L363 WeakPolarHBondContact OD2-CB 3.29Å; L363-R365 VanDerWaalsContact C-N 3.32Å; L363-R365 PolarHBondContact O-N 3.24Å; L363-I366 PolarHBondContact O-N 3.47Å; L363-K367 WeakPolarHBondContact O-CB 3.36Å; L363-K367 PolarHBondContact O-N 2.99Å |
| 364 | G | 79.4 | Confident | 76.3 | Confident | 16 Ų | 16 | 74.5 Ų | 74.5 | 17% | 0.165 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D361 K367 L368 | D361-G364 PolarHBondContact O-N 3.39Å; D361-G364 VanDerWaalsContact OD1-CA 3.22Å; D361-G364 WeakPolarHBondContact OD1-CA 3.26Å; D361-G364 PolarHBondContact OD1-N 3.26Å; G364-K367 PolarHBondContact O-N 2.68Å; G364-L368 WeakPolarHBondContact O-CB 3.46Å; G364-L368 PolarHBondContact O-N 2.86Å |
| 365 | R | 82 | Confident | 76.4 | Confident | 54 Ų | 54 | 74.1 Ų | 74.1 | 20% | 0.204 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.6 | -45.2 | 173.7 | -68.4 | -175.5 | -169.6 | -168.1 | 5.1 | 112.4 | L337 Y357 L358 K360 D361 V362 L363 K367 L368 L369 | L337-R365 HydrophobicContact CD1-CB 3.59Å; L337-R365 HydrophobicContact CD2-CB 4.13Å; Y357-R365 HydrophobicContact CD2-CB 4.36Å; Y357-R365 HydrophobicContact CD2-CG 4.06Å; Y357-R365 HydrophobicContact CE1-CG 4.27Å; Y357-R365 HydrophobicContact CE2-CB 3.59Å; Y357-R365 HydrophobicContact CE2-CG 3.67Å; Y357-R365 WeakPolarHBondContact O-CG 3.45Å; Y357-R365 PolarHBondContact O-NE 3.2Å; L358-R365 PolarHBondContact O-NH2 3.44Å; K360-R365 HydrophobicContact CB-CG 4.05Å; K360-R365 PolarHBondContact O-NE 3.07Å; K360-R365 VanDerWaalsContact O-NE 3.09Å; D361-R365 WeakPolarHBondContact O-CG 2.81Å; D361-R365 PolarHBondContact O-N 2.92Å; V362-R365 PolarHBondContact O-N 3.42Å; L363-R365 VanDerWaalsContact C-N 3.32Å; L363-R365 PolarHBondContact O-N 3.24Å; R365-K367 VanDerWaalsContact C-N 3.28Å; R365-K367 PolarHBondContact O-N 2.88Å; R365-L368 PolarHBondContact O-N 2.88Å; R365-L369 WeakPolarHBondContact O-CB 3.35Å; R365-L369 PolarHBondContact O-N 3.41Å |
| 366 | I | 82.5 | Confident | 75.9 | Confident | 8 Ų | 8 | 74.9 Ų | 74.9 | 4% | 0.041 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -56.6 | -44.9 | 173.3 | -71.9 | 166.9 | 0 | 0 | 0 | 110.4 | H333 R336 L337 L340 V362 L363 R370 | H333-I366 HydrophobicContact CB-CD1 4.05Å; H333-I366 WeakPolarHBondContact O-CD1 3.49Å; R336-I366 HydrophobicContact CB-CD1 4.22Å; L337-I366 HydrophobicContact CB-CD1 4.35Å; L337-I366 HydrophobicContact CB-CG1 3.9Å; L337-I366 HydrophobicContact CD1-CG1 3.98Å; L340-I366 HydrophobicContact CD1-CB 4.25Å; L340-I366 HydrophobicContact CD1-CG1 4.25Å; L340-I366 HydrophobicContact CD1-CG2 3.75Å; V362-I366 HydrophobicContact CG1-CD1 4.15Å; V362-I366 VanDerWaalsContact O-CG1 3.23Å; V362-I366 WeakPolarHBondContact O-CG1 3.25Å; V362-I366 PolarHBondContact O-N 2.9Å; L363-I366 PolarHBondContact O-N 3.47Å; I366-R370 VanDerWaalsContact O-CB 3.22Å; I366-R370 WeakPolarHBondContact O-CB 3.3Å; I366-R370 PolarHBondContact O-N 3.46Å |
| 367 | K | 84.6 | Confident | 74.8 | Confident | 128 Ų | 128 | 79.5 Ų | 79.5 | 56% | 0.557 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.8 | -46.7 | 178.4 | -171.5 | 176.6 | 179.8 | 179.7 | 0 | 111.1 | L363 G364 R365 R370 D371 | L363-K367 WeakPolarHBondContact O-CB 3.36Å; L363-K367 PolarHBondContact O-N 2.99Å; G364-K367 PolarHBondContact O-N 2.68Å; R365-K367 VanDerWaalsContact C-N 3.28Å; R365-K367 PolarHBondContact O-N 2.88Å; K367-R370 WeakPolarHBondContact O-CB 3.39Å; K367-R370 PolarHBondContact O-N 3.29Å; K367-D371 WeakPolarHBondContact O-CB 3.32Å; K367-D371 PolarHBondContact O-N 2.95Å |
| 368 | L | 82.4 | Confident | 73.1 | Confident | 25 Ų | 25 | 90 Ų | 90 | 13% | 0.131 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.3 | -44.9 | -179.7 | -163 | 154.5 | 0 | 0 | 0 | 112.3 | F352 Y357 K360 G364 R365 D371 H372 | F352-L368 HydrophobicContact CD1-CD2 4.3Å; F352-L368 HydrophobicContact CE1-CD2 4.15Å; Y357-L368 HydrophobicContact CD2-CD1 4.34Å; Y357-L368 HydrophobicContact CD2-CD2 4.05Å; K360-L368 HydrophobicContact CD-CD1 3.93Å; G364-L368 WeakPolarHBondContact O-CB 3.46Å; G364-L368 PolarHBondContact O-N 2.86Å; R365-L368 PolarHBondContact O-N 2.88Å; L368-D371 PolarHBondContact O-N 3.38Å; L368-H372 WeakPolarHBondContact CD2-CE1 3.14Å; L368-H372 WeakPolarHBondContact CD2-ND1 3.39Å; L368-H372 PolarHBondContact O-N 3.3Å; L368-H372 PolarHBondContact O-ND1 3.22Å |
| 369 | L | 82.3 | Confident | 71.4 | Confident | 1 Ų | 1 | 90.3 Ų | 90.3 | 1% | 0.005 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63 | -43.2 | 175.2 | -80.3 | 165.4 | 0 | 0 | 0 | 111.9 | L337 L340 E341 A344 F352 Y357 R365 D371 H372 M373 | L337-L369 HydrophobicContact CD1-CD1 3.59Å; L340-L369 HydrophobicContact CB-CB 4.4Å; L340-L369 HydrophobicContact CB-CD1 3.96Å; E341-L369 HydrophobicContact CG-CD1 3.66Å; A344-L369 HydrophobicContact CB-CD2 3.85Å; F352-L369 HydrophobicContact CD2-CD2 3.61Å; F352-L369 HydrophobicContact CE2-CD2 3.62Å; F352-L369 HydrophobicContact CG-CD2 4.32Å; F352-L369 HydrophobicContact CZ-CD2 4.32Å; Y357-L369 HydrophobicContact CE2-CD1 4.23Å; Y357-L369 HydrophobicContact CE2-CG 4.04Å; Y357-L369 VanDerWaalsContact OH-CD1 3.25Å; Y357-L369 WeakPolarHBondContact OH-CD1 3.47Å; R365-L369 WeakPolarHBondContact O-CB 3.35Å; R365-L369 PolarHBondContact O-N 3.41Å; L369-D371 VanDerWaalsContact C-N 3.34Å; L369-D371 PolarHBondContact O-N 2.92Å; L369-H372 PolarHBondContact O-N 3.38Å; L369-M373 WeakPolarHBondContact O-CB 3.04Å; L369-M373 WeakPolarHBondContact O-CG 3.32Å; L369-M373 PolarHBondContact O-N 3.2Å |
| 370 | R | 80.5 | Confident | 69.5 | Low | 131 Ų | 131 | 87.2 Ų | 87.2 | 49% | 0.494 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 175.4 | -175.4 | -167.7 | -58.5 | 162.5 | 2.2 | 110.8 | I366 K367 H372 M373 L374 | I366-R370 VanDerWaalsContact O-CB 3.22Å; I366-R370 WeakPolarHBondContact O-CB 3.3Å; I366-R370 PolarHBondContact O-N 3.46Å; K367-R370 WeakPolarHBondContact O-CB 3.39Å; K367-R370 PolarHBondContact O-N 3.29Å; R370-H372 VanDerWaalsContact C-N 3.33Å; R370-H372 PolarHBondContact O-N 3.2Å; R370-M373 PolarHBondContact O-N 2.76Å; R370-L374 HydrophobicContact CG-CD1 3.68Å; R370-L374 HydrophobicContact CG-CG 4.35Å; R370-L374 WeakPolarHBondContact O-CB 3.34Å; R370-L374 VanDerWaalsContact O-CG 3.26Å; R370-L374 WeakPolarHBondContact O-CG 3.16Å; R370-L374 PolarHBondContact O-N 3.47Å |
| 371 | D | 79.9 | Confident | 67.5 | Low | 86 Ų | 86 | 88.6 Ų | 88.6 | 46% | 0.46 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 179.6 | -66 | -16.2 | 0 | 0 | 0 | 111.2 | K367 L368 L369 A375 | K367-D371 WeakPolarHBondContact O-CB 3.32Å; K367-D371 PolarHBondContact O-N 2.95Å; L368-D371 PolarHBondContact O-N 3.38Å; L369-D371 VanDerWaalsContact C-N 3.34Å; L369-D371 PolarHBondContact O-N 2.92Å; D371-A375 WeakPolarHBondContact O-CB 3.35Å; D371-A375 PolarHBondContact O-N 2.86Å |
| 372 | H | 74.1 | Confident | 65.4 | Low | 91 Ų | 91 | 86.8 Ų | 86.8 | 42% | 0.421 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.6 | -39.6 | 175.7 | -80.3 | 68.8 | 0 | 0 | 0 | 113.1 | L349 F352 L368 L369 R370 | L349-H372 HydrophobicContact CD2-CB 4.19Å; F352-H372 HydrophobicContact CE1-CB 4.48Å; F352-H372 AromaticContact CE1-CD2 3.55Å; F352-H372 AromaticContact CE1-CG 3.86Å; F352-H372 AromaticContact CE1-NE2 3.81Å; F352-H372 HydrophobicContact CZ-CB 3.92Å; F352-H372 AromaticContact CZ-CD2 3.65Å; F352-H372 AromaticContact CZ-CG 3.77Å; L368-H372 WeakPolarHBondContact CD2-CE1 3.14Å; L368-H372 WeakPolarHBondContact CD2-ND1 3.39Å; L368-H372 PolarHBondContact O-N 3.3Å; L368-H372 PolarHBondContact O-ND1 3.22Å; L369-H372 PolarHBondContact O-N 3.38Å; R370-H372 VanDerWaalsContact C-N 3.33Å; R370-H372 PolarHBondContact O-N 3.2Å |
| 373 | M | 73.2 | Confident | 63.3 | Low | 62 Ų | 62 | 93.5 Ų | 93.5 | 31% | 0.305 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -72.3 | -29.7 | 178.7 | -68.9 | -108.5 | -74.8 | 0 | 0 | 112.5 | L340 L343 L369 R370 | L340-M373 HydrophobicContact CD2-CE 4.35Å; L343-M373 HydrophobicContact CB-CE 3.76Å; L343-M373 HydrophobicContact CD1-CE 4.05Å; L369-M373 WeakPolarHBondContact O-CB 3.04Å; L369-M373 WeakPolarHBondContact O-CG 3.32Å; L369-M373 PolarHBondContact O-N 3.2Å; R370-M373 PolarHBondContact O-N 2.76Å |
| 374 | L | 73 | Confident | 61.1 | Low | 115 Ų | 115 | 93.3 Ų | 93.3 | 60% | 0.602 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -90.4 | -14.1 | 178.3 | -67.4 | 176.4 | 0 | 0 | 0 | 113.6 | R370 | R370-L374 HydrophobicContact CG-CD1 3.68Å; R370-L374 HydrophobicContact CG-CG 4.35Å; R370-L374 WeakPolarHBondContact O-CB 3.34Å; R370-L374 VanDerWaalsContact O-CG 3.26Å; R370-L374 WeakPolarHBondContact O-CG 3.16Å; R370-L374 PolarHBondContact O-N 3.47Å |
| 375 | A | 68.2 | Low | 58.9 | Low | 54 Ų | 54 | 98.2 Ų | 98.2 | 45% | 0.446 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -55.1 | 131.2 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | D371 R377 | D371-A375 WeakPolarHBondContact O-CB 3.35Å; D371-A375 PolarHBondContact O-N 2.86Å; A375-R377 PolarHBondContact O-N 3.41Å |
| 376 | P | 50.6 | Low | 56.6 | Low | 95 Ų | 95 | 98.1 Ų | 98.1 | 62% | 0.617 | 48% | 0.479 | S | S | * | . | trans | -56.5 | 130.7 | 176.1 | -4.7 | 7.9 | 0 | 0 | 0 | 109.6 | R378 | P376-R378 PolarHBondContact O-N 3.01Š| ||
| 377 | R | 45.3 | Very low | 54.4 | Low | 225 Ų | 225 | 100.9 Ų | 100.9 | 85% | 0.849 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | 1.9 | 178.5 | -118.9 | -177.8 | -177.5 | 178.2 | 0.7 | 116.5 | A375 V379 T380 | A375-R377 PolarHBondContact O-N 3.41Å; R377-V379 VanDerWaalsContact C-N 3.34Å; R377-T380 PolarHBondContact O-OG1 3.35Å; R377-T380 VanDerWaalsContact O-OG1 3.14Å |
| 378 | R | 38.5 | Very low | 52 | Low | 226 Ų | 226 | 98.5 Ų | 98.5 | 85% | 0.853 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -18.3 | 177.9 | -76.9 | -173.2 | -178.5 | -179.1 | 0.6 | 114 | P376 | P376-R378 PolarHBondContact O-N 3.01Š|
| 379 | V | 38.2 | Very low | 49.8 | Very low | 100 Ų | 100 | 102.3 Ų | 102.3 | 61% | 0.606 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -16.1 | -178 | -172.9 | 0 | 0 | 0 | 0 | 113.6 | R377 M381 S382 | R377-V379 VanDerWaalsContact C-N 3.34Å; V379-M381 VanDerWaalsContact C-N 3.33Å; V379-S382 PolarHBondContact O-N 3.43Å; V379-S382 PolarHBondContact O-OG 2.68Å |
| 380 | T | 36.3 | Very low | 47.7 | Very low | 81 Ų | 81 | 106.9 Ų | 106.9 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -75.4 | -21.4 | 170 | 32.8 | 0 | 0 | 0 | 0 | 113 | R377 L384 | R377-T380 PolarHBondContact O-OG1 3.35Å; R377-T380 VanDerWaalsContact O-OG1 3.14Å; T380-L384 WeakPolarHBondContact O-CB 3.41Å; T380-L384 PolarHBondContact O-N 3.1Å |
| 381 | M | 33.4 | Very low | 45.6 | Very low | 124 Ų | 124 | 104.5 Ų | 104.5 | 61% | 0.611 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.1 | -30.1 | 171.3 | -89.4 | -68.5 | -117.6 | 0 | 0 | 112.3 | V379 L384 H385 | V379-M381 VanDerWaalsContact C-N 3.33Å; M381-L384 PolarHBondContact O-N 3.15Å; M381-H385 VanDerWaalsContact O-CB 3.27Å; M381-H385 WeakPolarHBondContact O-CB 3.48Å; M381-H385 PolarHBondContact O-N 3.47Å |
| 382 | S | 33.8 | Very low | 43.6 | Very low | 67 Ų | 67 | 105.1 Ų | 105.1 | 47% | 0.469 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.9 | -30.6 | 175.3 | 32.7 | 0 | 0 | 0 | 0 | 113.3 | V379 S386 | V379-S382 PolarHBondContact O-N 3.43Å; V379-S382 PolarHBondContact O-OG 2.68Å; S382-S386 PolarHBondContact O-N 3.45Å; S382-S386 VanDerWaalsContact O-N 3.15Å |
| 383 | Y | 32.4 | Very low | 41.8 | Very low | 180 Ų | 180 | 107.3 Ų | 107.3 | 71% | 0.706 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -77 | -36.8 | 171 | -101.3 | -89.2 | 0 | 0 | 0 | 112 | H385 S386 T387 | Y383-H385 VanDerWaalsContact C-N 3.34Å; Y383-S386 PolarHBondContact O-N 2.93Å; Y383-T387 PolarHBondContact O-N 3.43Å; Y383-T387 PolarHBondContact O-OG1 2.98Å |
| 384 | L | 32.4 | Very low | 39.8 | Very low | 90 Ų | 90 | 109.9 Ų | 109.9 | 47% | 0.471 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.8 | -30.9 | 171.5 | -82 | 160.4 | 0 | 0 | 0 | 112.7 | T380 M381 T387 N388 | T380-L384 WeakPolarHBondContact O-CB 3.41Å; T380-L384 PolarHBondContact O-N 3.1Å; M381-L384 PolarHBondContact O-N 3.15Å; L384-T387 WeakPolarHBondContact CA-OG1 3.17Å; L384-T387 PolarHBondContact O-OG1 3.28Å; L384-N388 WeakPolarHBondContact O-CB 3.27Å; L384-N388 PolarHBondContact O-N 2.88Å |
| 385 | H | 34 | Very low | 38 | Very low | 119 Ų | 119 | 109.6 Ų | 109.6 | 55% | 0.551 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -72.6 | -30.7 | 172.6 | -132.9 | -84.5 | 0 | 0 | 0 | 111.8 | M381 Y383 E389 | M381-H385 VanDerWaalsContact O-CB 3.27Å; M381-H385 WeakPolarHBondContact O-CB 3.48Å; M381-H385 PolarHBondContact O-N 3.47Å; Y383-H385 VanDerWaalsContact C-N 3.34Å; H385-E389 VanDerWaalsContact O-CB 3.22Å; H385-E389 WeakPolarHBondContact O-CB 3.33Å; H385-E389 VanDerWaalsContact O-CG 3.32Å; H385-E389 WeakPolarHBondContact O-CG 3.48Å; H385-E389 PolarHBondContact O-N 2.8Å |
| 386 | S | 33.5 | Very low | 36.2 | Very low | 53 Ų | 53 | 110.7 Ų | 110.7 | 37% | 0.371 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -76.1 | -37.2 | 174.4 | -174.9 | 0 | 0 | 0 | 0 | 111.9 | S382 Y383 E389 I390 | S382-S386 PolarHBondContact O-N 3.45Å; S382-S386 VanDerWaalsContact O-N 3.15Å; Y383-S386 PolarHBondContact O-N 2.93Å; S386-E389 PolarHBondContact O-N 3.47Å; S386-I390 WeakPolarHBondContact O-CB 3.5Å; S386-I390 WeakPolarHBondContact O-CD1 3.17Å; S386-I390 WeakPolarHBondContact O-CG1 3.35Å; S386-I390 PolarHBondContact O-N 3.4Å |
| 387 | T | 35.6 | Very low | 35.2 | Very low | 65 Ų | 65 | 113.1 Ų | 113.1 | 40% | 0.399 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -75.2 | -28.4 | 172.2 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | Y383 L384 N391 | Y383-T387 PolarHBondContact O-N 3.43Å; Y383-T387 PolarHBondContact O-OG1 2.98Å; L384-T387 WeakPolarHBondContact CA-OG1 3.17Å; L384-T387 PolarHBondContact O-OG1 3.28Å; T387-N391 WeakPolarHBondContact O-CB 3.26Å; T387-N391 PolarHBondContact O-N 3.4Å |
| 388 | N | 35.5 | Very low | 34.3 | Very low | 79 Ų | 79 | 107.4 Ų | 107.4 | 42% | 0.422 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -78.8 | -25.5 | 169.1 | -73.7 | -9.3 | 0 | 0 | 0 | 112.1 | L384 D392 | L384-N388 WeakPolarHBondContact O-CB 3.27Å; L384-N388 PolarHBondContact O-N 2.88Å; N388-D392 WeakPolarHBondContact O-CA 3.43Å; N388-D392 WeakPolarHBondContact O-CB 3.41Å; N388-D392 PolarHBondContact O-N 3.4Å; N388-D392 VanDerWaalsContact O-OD2 3.12Å |
| 389 | E | 35.7 | Very low | 33.7 | Very low | 105 Ų | 105 | 107.6 Ų | 107.6 | 49% | 0.491 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -75.8 | -28.6 | 168.1 | -87.8 | -175.7 | 161.8 | 0 | 0 | 112.3 | H385 S386 K393 | H385-E389 VanDerWaalsContact O-CB 3.22Å; H385-E389 WeakPolarHBondContact O-CB 3.33Å; H385-E389 VanDerWaalsContact O-CG 3.32Å; H385-E389 WeakPolarHBondContact O-CG 3.48Å; H385-E389 PolarHBondContact O-N 2.8Å; S386-E389 PolarHBondContact O-N 3.47Å; E389-K393 WeakPolarHBondContact O-CB 3.45Å; E389-K393 WeakPolarHBondContact O-CG 3.2Å; E389-K393 PolarHBondContact O-N 3.12Å |
| 390 | I | 37.9 | Very low | 33.1 | Very low | 96 Ų | 96 | 109 Ų | 109 | 49% | 0.492 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -78 | -37.9 | 172.7 | -67 | 162.8 | 0 | 0 | 0 | 110.1 | S386 L394 | S386-I390 WeakPolarHBondContact O-CB 3.5Å; S386-I390 WeakPolarHBondContact O-CD1 3.17Å; S386-I390 WeakPolarHBondContact O-CG1 3.35Å; S386-I390 PolarHBondContact O-N 3.4Å; I390-L394 HydrophobicContact CG2-CD1 4.48Å; I390-L394 VanDerWaalsContact O-CB 3.32Å; I390-L394 WeakPolarHBondContact O-CB 3.41Å; I390-L394 PolarHBondContact O-N 3.41Å |
| 391 | N | 36.1 | Very low | 32.4 | Very low | 81 Ų | 81 | 110.7 Ų | 110.7 | 43% | 0.433 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72.2 | -37.5 | 170.6 | -82.5 | -20.2 | 0 | 0 | 0 | 111.9 | T387 K393 L394 I395 | T387-N391 WeakPolarHBondContact O-CB 3.26Å; T387-N391 PolarHBondContact O-N 3.4Å; N391-K393 VanDerWaalsContact C-N 3.34Å; N391-L394 CarbonylContact O-C 3.52Å; N391-L394 PolarHBondContact O-N 3.34Å; N391-I395 HydrophobicContact CB-CD1 4.22Å; N391-I395 WeakPolarHBondContact O-CA 3.37Å; N391-I395 WeakPolarHBondContact O-CB 3.31Å; N391-I395 VanDerWaalsContact O-CD1 3.23Å; N391-I395 WeakPolarHBondContact O-CD1 3.44Å; N391-I395 WeakPolarHBondContact O-CG1 3.45Å; N391-I395 PolarHBondContact O-N 3.29Å |
| 392 | D | 37.5 | Very low | 32 | Very low | 100 Ų | 100 | 110.1 Ų | 110.1 | 54% | 0.535 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -74.7 | -23.9 | 175 | -73.3 | -30.2 | 0 | 0 | 0 | 111.4 | N388 S396 | N388-D392 WeakPolarHBondContact O-CA 3.43Å; N388-D392 WeakPolarHBondContact O-CB 3.41Å; N388-D392 PolarHBondContact O-N 3.4Å; N388-D392 VanDerWaalsContact O-OD2 3.12Å; D392-S396 WeakPolarHBondContact O-CA 3.23Å; D392-S396 WeakPolarHBondContact O-CB 3.45Å; D392-S396 PolarHBondContact O-N 2.91Å; D392-S396 PolarHBondContact O-OG 3.17Å |
| 393 | K | 36.1 | Very low | 31.8 | Very low | 137 Ų | 137 | 112.3 Ų | 112.3 | 60% | 0.596 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -78.2 | -34.8 | 166.5 | -79.1 | 173.5 | 177.3 | 171.3 | 0 | 113.3 | E389 N391 I395 S396 D397 | E389-K393 WeakPolarHBondContact O-CB 3.45Å; E389-K393 WeakPolarHBondContact O-CG 3.2Å; E389-K393 PolarHBondContact O-N 3.12Å; N391-K393 VanDerWaalsContact C-N 3.34Å; K393-I395 VanDerWaalsContact C-N 3.35Å; K393-S396 VanDerWaalsContact CA-OG 3.32Å; K393-S396 WeakPolarHBondContact CA-OG 3.35Å; K393-S396 PolarHBondContact O-OG 3.16Å; K393-D397 PolarHBondContact O-N 2.77Å |
| 394 | L | 32.1 | Very low | 31.5 | Very low | 116 Ų | 116 | 109 Ų | 109 | 61% | 0.607 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.4 | -25.7 | 170 | -108.8 | 75.6 | 0 | 0 | 0 | 112.7 | I390 N391 | I390-L394 HydrophobicContact CG2-CD1 4.48Å; I390-L394 VanDerWaalsContact O-CB 3.32Å; I390-L394 WeakPolarHBondContact O-CB 3.41Å; I390-L394 PolarHBondContact O-N 3.41Å; N391-L394 CarbonylContact O-C 3.52Å; N391-L394 PolarHBondContact O-N 3.34Å |
| 395 | I | 35 | Very low | 31.4 | Very low | 109 Ų | 109 | 112.2 Ų | 112.2 | 56% | 0.559 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -91.3 | -23.1 | 176.9 | -66.7 | 163.4 | 0 | 0 | 0 | 110.4 | N391 K393 | N391-I395 HydrophobicContact CB-CD1 4.22Å; N391-I395 WeakPolarHBondContact O-CA 3.37Å; N391-I395 WeakPolarHBondContact O-CB 3.31Å; N391-I395 VanDerWaalsContact O-CD1 3.23Å; N391-I395 WeakPolarHBondContact O-CD1 3.44Å; N391-I395 WeakPolarHBondContact O-CG1 3.45Å; N391-I395 PolarHBondContact O-N 3.29Å; K393-I395 VanDerWaalsContact C-N 3.35Å |
| 396 | S | 29.9 | Very low | 31 | Very low | 77 Ų | 77 | 117.9 Ų | 117.9 | 54% | 0.538 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -81.8 | -18 | 170.9 | 70.6 | 0 | 0 | 0 | 0 | 114.3 | D392 K393 | D392-S396 WeakPolarHBondContact O-CA 3.23Å; D392-S396 WeakPolarHBondContact O-CB 3.45Å; D392-S396 PolarHBondContact O-N 2.91Å; D392-S396 PolarHBondContact O-OG 3.17Å; K393-S396 VanDerWaalsContact CA-OG 3.32Å; K393-S396 WeakPolarHBondContact CA-OG 3.35Å; K393-S396 PolarHBondContact O-OG 3.16Å |
| 397 | D | 29.7 | Very low | 30.5 | Very low | 145 Ų | 145 | 123.2 Ų | 123.2 | 78% | 0.775 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -88.4 | -2.5 | 170 | -84.7 | -22.9 | 0 | 0 | 0 | 113.3 | K393 R399 | K393-D397 PolarHBondContact O-N 2.77Å; D397-R399 PolarHBondContact O-N 3.35Å |
| 398 | V | 27.5 | Very low | 29.9 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 64% | 0.642 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -92.7 | 86 | 161.9 | -177.8 | 0 | 0 | 0 | 0 | 108 | V400 | V398-V400 PolarHBondContact O-N 3Š|
| 399 | R | 25.2 | Very low | 29.2 | Very low | 229 Ų | 229 | 131.9 Ų | 131.9 | 86% | 0.864 | 70% | 0.701 | S | S | * | * | trans | -50.7 | 106.3 | -180 | -131.2 | -178.9 | -67 | -175.5 | -0.9 | 111.4 | D397 C401 | D397-R399 PolarHBondContact O-N 3.35Å; R399-C401 PolarHBondContact O-N 3.34Å | ||
| 400 | V | 25.5 | Very low | 28.6 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | trans | -62.9 | 113.2 | 162 | 175 | 0 | 0 | 0 | 0 | 107.9 | V398 | V398-V400 PolarHBondContact O-N 3Š| ||
| 401 | C | 22.3 | Very low | 27.9 | Very low | 116 Ų | 116 | 137 Ų | 137 | 78% | 0.784 | 73% | 0.728 | S | S | * | * | trans | -71.9 | 130.7 | 167.9 | -85.2 | 0 | 0 | 0 | 0 | 109.8 | R399 | R399-C401 PolarHBondContact O-N 3.34Š| ||
| 402 | P | 25 | Very low | 27.3 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | trans | -81.6 | 150.9 | 176.9 | 32.7 | -31.7 | 0 | 0 | 0 | 112.2 | ||||
| 403 | S | 28 | Very low | 26.6 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | 76 | 102.1 | 149.3 | 64.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 404 | S | 26.5 | Very low | 26.1 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | 50.1 | 95.9 | 126.5 | -171 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 405 | N | 30.5 | Very low | 25.8 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | 47 | 89.5 | 138.2 | -84.5 | -7.9 | 0 | 0 | 0 | 117.9 | ||||
| 406 | R | 24.9 | Very low | 25.6 | Very low | 239 Ų | 239 | 147.6 Ų | 147.6 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -166.6 | 140.1 | 158.2 | -116.8 | 177.9 | -96.2 | -157.8 | -3.7 | 111.4 | C408 | R406-C408 PolarHBondContact O-N 3.32Š| ||
| 407 | N | 23.3 | Very low | 25.6 | Very low | 164 Ų | 164 | 150.9 Ų | 150.9 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -53.8 | 112.4 | 164.2 | -66.4 | -33.3 | 0 | 0 | 0 | 110.9 | ||||
| 408 | C | 23.1 | Very low | 25.7 | Very low | 114 Ų | 114 | 151.4 Ų | 151.4 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -140.8 | 94.7 | 157.1 | -95.1 | 0 | 0 | 0 | 0 | 104.1 | R406 | R406-C408 PolarHBondContact O-N 3.32Š| ||
| 409 | F | 21.4 | Very low | 25.8 | Very low | 213 Ų | 213 | 151.4 Ų | 151.4 | 93% | 0.934 | 80% | 0.801 | S | S | * | * | -23.3 | 100.9 | 54.7 | -93.1 | -95.7 | 0 | 0 | 0 | 120 | |||||
| 410 | K | 22.5 | Very low | 26 | Very low | 180 Ų | 180 | 148.7 Ų | 148.7 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | -179.1 | 110.7 | 147 | -104.9 | 176.6 | 179.5 | 179.1 | 0 | 106.8 | ||||
| 411 | V | 22.9 | Very low | 26.2 | Very low | 128 Ų | 128 | 149.4 Ų | 149.4 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | 45.4 | 97.7 | 95.4 | -175.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 412 | L | 23.8 | Very low | 26.4 | Very low | 162 Ų | 162 | 152.9 Ų | 152.9 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | -147.4 | 113.7 | 134.9 | -113.3 | 155.4 | 0 | 0 | 0 | 107.9 | ||||
| 413 | E | 23.9 | Very low | 26.7 | Very low | 161 Ų | 161 | 152.9 Ų | 152.9 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -31.6 | 128.8 | 169.5 | -68.6 | 155.9 | 118.7 | 0 | 0 | 114.7 | ||||
| 414 | N | 24.3 | Very low | 26.7 | Very low | 140 Ų | 140 | 155.3 Ų | 155.3 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | -169.4 | 110 | 106.1 | -109.7 | -33.9 | 0 | 0 | 0 | 112.6 | |||||
| 415 | K | 26 | Very low | 26.8 | Very low | 185 Ų | 185 | 157 Ų | 157 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | 58.1 | 123.2 | 153.5 | -61.7 | 176.9 | 178.6 | 178.1 | 0 | 118.1 | ||||
| 416 | T | 31.4 | Very low | 26.4 | Very low | 117 Ų | 117 | 154.7 Ų | 154.7 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | cis | -175.1 | 132.3 | 17.4 | 16.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 417 | N | 28.9 | Very low | 26.8 | Very low | 147 Ų | 147 | 149.1 Ų | 149.1 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | 61.5 | 135.8 | 150.5 | -57.3 | -23.7 | 0 | 0 | 0 | 120.9 | ||||
| 418 | L | 32 | Very low | 27 | Very low | 156 Ų | 156 | 149.1 Ų | 149.1 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | cis | -173.1 | 129 | 26.6 | -152.3 | 76.9 | 0 | 0 | 0 | 112.9 | ||||
| 419 | S | 30.6 | Very low | 27.2 | Very low | 105 Ų | 105 | 151.8 Ų | 151.8 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | 46.1 | 143.7 | 136.8 | -174.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 420 | K | 29.4 | Very low | 27.3 | Very low | 173 Ų | 173 | 145.9 Ų | 145.9 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | cis | -179.2 | 155.1 | -8.7 | -109.3 | -178.3 | 175.6 | -176.4 | 0 | 110.8 | ||||
| 421 | D | 29.7 | Very low | 27.4 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | 93 | 132.9 | 144.8 | -57.3 | -23.9 | 0 | 0 | 0 | 125.2 | ||||
| 422 | F | 26.8 | Very low | 27.4 | Very low | 189 Ų | 189 | 145 Ų | 145 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | -107.9 | -158.8 | -167.1 | -105.5 | -91.8 | 0 | 0 | 0 | 111.6 | ||||
| 423 | P | 31.7 | Very low | 27.6 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | cis | -144.5 | 167 | -13.3 | 23.1 | 4.2 | 0 | 0 | 0 | 120.6 | ||||
| 424 | Q | 27.8 | Very low | 27.9 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | trans | 22.1 | 151.9 | 139.5 | -56.4 | -161.6 | -11.1 | 0 | 0 | 129 | ||||
| 425 | I | 26.9 | Very low | 28 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | 166.4 | 127.7 | 106.7 | -79 | 170.8 | 0 | 0 | 0 | 117.1 | |||||
| 426 | S | 24.1 | Very low | 27.9 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | 50.6 | 147.9 | 146.1 | 77.7 | 0 | 0 | 0 | 0 | 130.3 | ||||
| 427 | P | 32.4 | Very low | 27.7 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | trans | -118.5 | 160.9 | 174 | 41.7 | -28.8 | 0 | 0 | 0 | 117.4 | ||||
| 428 | I | 27.9 | Very low | 27.8 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | trans | -147.2 | 127.3 | 173.4 | -61.7 | -177.9 | 0 | 0 | 0 | 114.8 | ||||
| 429 | H | 26.1 | Very low | 27.6 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | trans | 19.9 | 128.2 | 146.5 | -95.5 | -78.6 | 0 | 0 | 0 | 126.6 | ||||
| 430 | S | 24.3 | Very low | 27.6 | Very low | 89 Ų | 89 | 146.2 Ų | 146.2 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | 43.4 | 124.6 | 130 | 68.8 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 431 | K | 25.1 | Very low | 27.5 | Very low | 190 Ų | 190 | 146 Ų | 146 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | 165.2 | 135.3 | 110.5 | -96.5 | -179.9 | 178.9 | 176.5 | 0 | 113.3 | |||||
| 432 | S | 23.4 | Very low | 27.5 | Very low | 98 Ų | 98 | 144.6 Ų | 144.6 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | trans | 11.9 | 124.6 | 144.8 | 59.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 433 | Q | 26.3 | Very low | 27.5 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | 160.6 | 148 | 110.9 | -87.3 | -162.9 | -12 | 0 | 0 | 111.7 | |||||
| 434 | P | 31.2 | Very low | 27.3 | Very low | 108 Ų | 108 | 145 Ų | 145 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | -91.7 | 159.2 | 173.1 | 37.3 | -30.4 | 0 | 0 | 0 | 111.3 | ||||
| 435 | I | 26.1 | Very low | 27.2 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | trans | 158.8 | 126.2 | 149.1 | -83.6 | 156.1 | 0 | 0 | 0 | 111.6 | ||||
| 436 | D | 24.5 | Very low | 27.4 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | trans | 57.8 | 129.4 | 145.1 | -75.3 | -4.1 | 0 | 0 | 0 | 126.2 | ||||
| 437 | K | 26.4 | Very low | 27.6 | Very low | 176 Ų | 176 | 144 Ų | 144 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | 78.4 | 118.3 | 128.3 | -71.9 | 169.8 | -176.5 | 135.8 | 0 | 120.9 | |||||
| 438 | K | 30.4 | Very low | 27.4 | Very low | 203 Ų | 203 | 149.4 Ų | 149.4 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | -175.5 | 111.2 | 122.6 | -96.4 | 168.3 | -176.2 | -176.4 | 0 | 107.3 | |||||
| 439 | A | 27.7 | Very low | 27.2 | Very low | 90 Ų | 90 | 150.2 Ų | 150.2 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | 76 | 105.7 | 63.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 440 | Q | 31.4 | Very low | 27.4 | Very low | 179 Ų | 179 | 149.8 Ų | 149.8 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | -178.7 | 102.6 | 137.6 | -102.2 | 158 | -32.3 | 0 | 0 | 108.4 | ||||
| 441 | Q | 28.5 | Very low | 27.5 | Very low | 170 Ų | 170 | 149.2 Ų | 149.2 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | 66 | 126.2 | 95.8 | -80.9 | 177.6 | -25.9 | 0 | 0 | 112.3 | |||||
| 442 | T | 29.4 | Very low | 27.5 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | cis | -169.5 | 123.9 | 42.4 | -9.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 443 | Q | 25.5 | Very low | 27.8 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | 66.5 | 112.1 | 97.7 | -142.7 | 167.3 | 7.5 | 0 | 0 | 113.2 | |||||
| 444 | D | 28.6 | Very low | 27.9 | Very low | 161 Ų | 161 | 143.1 Ų | 143.1 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | -144 | 144.8 | 84.6 | -81.6 | -35.8 | 0 | 0 | 0 | 115.6 | |||||
| 445 | Q | 25.6 | Very low | 27.5 | Very low | 150 Ų | 150 | 147 Ų | 147 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -95 | 155 | 178.4 | -64.4 | 172.1 | -71.5 | 0 | 0 | 110.9 | ||||
| 446 | D | 30.5 | Very low | 27.5 | Very low | 137 Ų | 137 | 149.3 Ų | 149.3 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | 172.6 | 122.3 | 109.6 | -89.1 | -21.2 | 0 | 0 | 0 | 114.9 | |||||
| 447 | V | 28.3 | Very low | 27.5 | Very low | 109 Ų | 109 | 149.4 Ų | 149.4 | 66% | 0.661 | 79% | 0.788 | S | S | * | * | trans | 55.1 | 122 | 136.6 | -152.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 448 | W | 27.6 | Very low | 27.5 | Very low | 238 Ų | 238 | 152.5 Ų | 152.5 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | -160.7 | 135.7 | 69.2 | -89.9 | 70.3 | 0 | 0 | 0 | 111.9 | |||||
| 449 | K | 24.3 | Very low | 27.3 | Very low | 181 Ų | 181 | 149.9 Ų | 149.9 | 79% | 0.787 | 79% | 0.791 | S | S | * | * | trans | -86.2 | 144.4 | 160.3 | -77.6 | 178.2 | 172.6 | 177.9 | 0 | 108.9 | ||||
| 450 | D | 29.7 | Very low | 27.2 | Very low | 161 Ų | 161 | 152.7 Ų | 152.7 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | 162.1 | 144.6 | 127.3 | -83.4 | -19.5 | 0 | 0 | 0 | 111.4 | |||||
| 451 | G | 27.9 | Very low | 27.1 | Very low | 76 Ų | 76 | 150.6 Ų | 150.6 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | 127.2 | 74.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 452 | A | 24.8 | Very low | 27 | Very low | 105 Ų | 105 | 148 Ų | 148 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | trans | -68.7 | 130.9 | 158 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 453 | S | 28.8 | Very low | 27 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -168.4 | 112.8 | 143.1 | 51 | 0 | 0 | 0 | 0 | 110 | ||||
| 454 | T | 28.5 | Very low | 27.1 | Very low | 132 Ų | 132 | 147 Ų | 147 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | 74.2 | 100 | 95.2 | -30.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 455 | F | 23 | Very low | 27.2 | Very low | 189 Ų | 189 | 148.7 Ų | 148.7 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | 34 | 120.1 | 136.9 | -112.7 | -98.1 | 0 | 0 | 0 | 120.4 | ||||
| 456 | K | 25.6 | Very low | 27.3 | Very low | 197 Ų | 197 | 150.4 Ų | 150.4 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | trans | -172 | 123.4 | 130.1 | -107.2 | 172.4 | -175.1 | 179 | 0 | 111.2 | ||||
| 457 | P | 24.9 | Very low | 27.3 | Very low | 116 Ų | 116 | 149.8 Ų | 149.8 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | -79.9 | 128.1 | 163.5 | 32.5 | -27.1 | 0 | 0 | 0 | 108.2 | ||||
| 458 | R | 25.8 | Very low | 27.2 | Very low | 242 Ų | 242 | 149.5 Ų | 149.5 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | trans | -104.8 | 104.7 | -179.1 | -149.6 | 175.6 | -171.3 | 172 | 1.4 | 109.3 | ||||
| 459 | N | 26.6 | Very low | 27.1 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -66.2 | 156.7 | 157.5 | -91.6 | -14.6 | 0 | 0 | 0 | 110.4 | ||||
| 460 | N | 25.5 | Very low | 27.3 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | 74.3 | 110.9 | 175.5 | -63.8 | -11.7 | 0 | 0 | 0 | 115.3 | ||||
| 461 | V | 29.7 | Very low | 27.1 | Very low | 136 Ų | 136 | 139 Ų | 139 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | -165.9 | 139 | 95.5 | 161.1 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 462 | S | 26.7 | Very low | 27.1 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -43.7 | 147.5 | 178.3 | 58.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 463 | G | 29.3 | Very low | 27.3 | Very low | 72 Ų | 72 | 146.2 Ų | 146.2 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | 173 | 93.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K465 | G463-K465 PolarHBondContact O-N 2.81Š| ||
| 464 | N | 27.1 | Very low | 27.3 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | trans | -38.9 | 119.9 | -177.8 | -73.7 | -28.3 | 0 | 0 | 0 | 115.5 | ||||
| 465 | K | 31.1 | Very low | 27.5 | Very low | 198 Ų | 198 | 144.1 Ų | 144.1 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -98.7 | 111.8 | 150.5 | -78 | -176.4 | 175.4 | -178 | 0 | 107.3 | G463 V467 | G463-K465 PolarHBondContact O-N 2.81Å; K465-V467 PolarHBondContact O-N 3.47Å | ||
| 466 | K | 28.4 | Very low | 27.7 | Very low | 186 Ų | 186 | 143.1 Ų | 143.1 | 81% | 0.809 | 76% | 0.764 | S | S | * | * | trans | -63.3 | 102.5 | 171 | -83.1 | -177.9 | 176.8 | 177.2 | 0 | 108.6 | ||||
| 467 | V | 29.2 | Very low | 27.8 | Very low | 124 Ų | 124 | 140.9 Ų | 140.9 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | -85.8 | 106.6 | 155.3 | 174.8 | 0 | 0 | 0 | 0 | 105 | K465 S469 | K465-V467 PolarHBondContact O-N 3.47Å; V467-S469 VanDerWaalsContact C-N 3.28Å; V467-S469 PolarHBondContact O-N 3.01Å | ||
| 468 | C | 27.2 | Very low | 27.7 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | trans | -71.8 | 88.6 | 173 | -81.4 | 0 | 0 | 0 | 0 | 109.6 | F470 | C468-F470 PolarHBondContact O-N 3.1Š| ||
| 469 | S | 25.2 | Very low | 27.8 | Very low | 72 Ų | 72 | 139 Ų | 139 | 50% | 0.503 | 76% | 0.759 | S | S | . | * | trans | -75.1 | 103.3 | 159.3 | 58.9 | 0 | 0 | 0 | 0 | 108.2 | V467 I471 | V467-S469 VanDerWaalsContact C-N 3.28Å; V467-S469 PolarHBondContact O-N 3.01Å; S469-I471 PolarHBondContact O-N 2.76Å | ||
| 470 | F | 27.3 | Very low | 27.7 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 75% | 0.746 | 76% | 0.755 | S | S | * | * | trans | -73.6 | 70.1 | 179 | -106.7 | -81.5 | 0 | 0 | 0 | 114.9 | C468 L472 M553 | C468-F470 PolarHBondContact O-N 3.1Å; F470-L472 PolarHBondContact O-N 3Å; F470-L472 VanDerWaalsContact O-N 3.12Å; F470-M553 VanDerWaalsContact C-CE 3.46Å; F470-M553 HydrophobicContact CB-SD 4.14Å; F470-M553 PolarHBondContact N-SD 3.43Å; F470-M553 VanDerWaalsContact N-SD 3.35Å; F470-M553 WeakPolarHBondContact O-CG 3.42Å | ||
| 471 | I | 27.3 | Very low | 27.8 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 60% | 0.6 | 75% | 0.752 | S | S | * | * | trans | -71.3 | 107.8 | 168.8 | -60.3 | -176.4 | 0 | 0 | 0 | 109.5 | S469 Q473 M553 | S469-I471 PolarHBondContact O-N 2.76Å; I471-Q473 PolarHBondContact O-N 3.25Å; I471-Q473 VanDerWaalsContact O-N 3.1Å; I471-M553 HydrophobicContact CB-CE 4.47Å; I471-M553 HydrophobicContact CB-CG 4.33Å; I471-M553 HydrophobicContact CD1-CE 4.48Å; I471-M553 HydrophobicContact CG1-CB 4Å; I471-M553 HydrophobicContact CG1-CE 3.48Å; I471-M553 VanDerWaalsContact CG1-CE 3.48Å; I471-M553 HydrophobicContact CG1-CG 3.84Å | ||
| 472 | L | 28 | Very low | 27.6 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 80% | 0.801 | 75% | 0.748 | S | S | * | * | trans | -54.8 | 104.3 | 163.4 | -101.7 | 142.6 | 0 | 0 | 0 | 109.3 | F470 | F470-L472 PolarHBondContact O-N 3Å; F470-L472 VanDerWaalsContact O-N 3.12Å | ||
| 473 | Q | 27.6 | Very low | 27.6 | Very low | 180 Ų | 180 | 136 Ų | 136 | 84% | 0.841 | 74% | 0.74 | S | S | * | * | trans | -107.1 | 102 | 165.7 | -149.2 | 163.1 | -6.4 | 0 | 0 | 107.1 | I471 | I471-Q473 PolarHBondContact O-N 3.25Å; I471-Q473 VanDerWaalsContact O-N 3.1Å | ||
| 474 | S | 28.8 | Very low | 27.4 | Very low | 65 Ų | 65 | 141.5 Ų | 141.5 | 46% | 0.455 | 74% | 0.744 | S | S | . | * | P | Polyproline II helix | trans | -79.5 | 146.4 | 168.9 | 43.9 | 0 | 0 | 0 | 0 | 110.1 | Q550 | S474-Q550 PolarHBondContact OG-NE2 3.4Å; S474-Q550 VanDerWaalsContact OG-NE2 3.08Å |
| 475 | P | 32.5 | Very low | 27.5 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 145 | -162.6 | 32.4 | -34.4 | 0 | 0 | 0 | 113.2 | ||
| 476 | E | 27.3 | Very low | 27.3 | Very low | 167 Ų | 167 | 139 Ų | 139 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 130.7 | 171.6 | -72.1 | 178.8 | 130.1 | 0 | 0 | 111.9 | ||
| 477 | V | 28.7 | Very low | 27.3 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 91% | 0.909 | 72% | 0.721 | S | S | * | * | trans | -130.8 | 115.3 | 144.1 | 176.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 478 | R | 22.8 | Very low | 27.1 | Very low | 221 Ų | 221 | 137 Ų | 137 | 83% | 0.834 | 72% | 0.723 | S | S | * | * | trans | -125.6 | 126.8 | -171.5 | -167.4 | -178.1 | -166 | 173.1 | 4.2 | 110.2 | ||||
| 479 | S | 27.1 | Very low | 27.3 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | trans | -165.1 | 120 | 158.2 | 52.8 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 480 | D | 25.8 | Very low | 27.4 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | cis | -162.8 | 143.5 | 29.4 | -88.7 | -38.1 | 0 | 0 | 0 | 110.5 | ||||
| 481 | I | 26.1 | Very low | 27.4 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 73% | 0.728 | 73% | 0.728 | S | S | * | * | trans | 56 | 114.3 | 132.2 | -45.9 | 165.8 | 0 | 0 | 0 | 116 | ||||
| 482 | V | 26.8 | Very low | 27.3 | Very low | 122 Ų | 122 | 140 Ų | 140 | 74% | 0.739 | 73% | 0.734 | S | S | * | * | -170.7 | 123.2 | 78.9 | 164.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 483 | S | 26.6 | Very low | 27.2 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | trans | 47.4 | 112.8 | 153 | 56.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 484 | F | 25.2 | Very low | 26.9 | Very low | 187 Ų | 187 | 140.9 Ų | 140.9 | 82% | 0.82 | 74% | 0.736 | S | S | * | * | 57.3 | 146.7 | 73.3 | -82.7 | -79.6 | 0 | 0 | 0 | 115 | R486 | F484-R486 HydrophobicContact CD1-CG 4.23Š| |||
| 485 | P | 29.3 | Very low | 26.6 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | cis | -142.9 | 144.6 | 31.6 | 37.7 | -14.6 | 0 | 0 | 0 | 117.9 | ||||
| 486 | R | 26.3 | Very low | 26.3 | Very low | 206 Ų | 206 | 141.2 Ų | 141.2 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | 80.7 | 147.9 | 103.1 | -71.5 | -178.4 | 165.8 | -156.2 | 4 | 115.3 | F484 | F484-R486 HydrophobicContact CD1-CG 4.23Š| |||
| 487 | L | 28.5 | Very low | 26.3 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 61% | 0.613 | 76% | 0.755 | S | S | * | * | cis | -172.2 | 131.1 | 0.5 | -97.9 | 155 | 0 | 0 | 0 | 103.5 | ||||
| 488 | L | 25.4 | Very low | 26.2 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | 76.3 | 158.1 | 93.6 | -102.4 | 130.3 | 0 | 0 | 0 | 114.5 | |||||
| 489 | P | 30.7 | Very low | 26.3 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 62% | 0.623 | 74% | 0.739 | S | S | * | * | -125.7 | -156.8 | -121 | 28.8 | -2.9 | 0 | 0 | 0 | 111.2 | |||||
| 490 | I | 28 | Very low | 26.3 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | trans | 125.1 | 116.6 | 149.5 | -65.3 | 158.2 | 0 | 0 | 0 | 114.2 | ||||
| 491 | E | 27.2 | Very low | 26.2 | Very low | 159 Ų | 159 | 143.9 Ų | 143.9 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | 55.7 | 130.1 | 142.4 | -64.8 | 171.4 | 173 | 0 | 0 | 123.5 | ||||
| 492 | N | 24 | Very low | 26.2 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | 43.1 | 113.7 | 134.6 | -56.3 | -29.4 | 0 | 0 | 0 | 118.8 | ||||
| 493 | F | 26.3 | Very low | 26 | Very low | 204 Ų | 204 | 146.5 Ų | 146.5 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | 175 | 145.1 | 105.7 | -117 | -99 | 0 | 0 | 0 | 111.2 | |||||
| 494 | D | 21.4 | Very low | 26.2 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -67.9 | 170.8 | 174.7 | -102.3 | -43.7 | 0 | 0 | 0 | 114.4 | ||||
| 495 | C | 23.7 | Very low | 26.1 | Very low | 134 Ų | 134 | 146.9 Ų | 146.9 | 91% | 0.905 | 78% | 0.778 | S | S | * | * | trans | 84.3 | 124.8 | 174.5 | -62.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 496 | G | 24.4 | Very low | 26.1 | Very low | 66 Ų | 66 | 150 Ų | 150 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | cis | 136 | 145.3 | 22 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 497 | M | 27.8 | Very low | 25.9 | Very low | 177 Ų | 177 | 151.1 Ų | 151.1 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | 68.4 | 151.2 | 172.5 | -65.9 | -171.3 | 165.7 | 0 | 0 | 116.2 | ||||
| 498 | Q | 26.9 | Very low | 25.7 | Very low | 149 Ų | 149 | 150.1 Ų | 150.1 | 70% | 0.696 | 79% | 0.794 | S | S | * | * | cis | -172.2 | 145.5 | -21.3 | -116 | 174.2 | -23 | 0 | 0 | 103.3 | ||||
| 499 | D | 23.9 | Very low | 25.6 | Very low | 133 Ų | 133 | 149.7 Ų | 149.7 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | 25.4 | 123.6 | 151.7 | -51.8 | -34.4 | 0 | 0 | 0 | 120.6 | ||||
| 500 | K | 28.7 | Very low | 25.3 | Very low | 203 Ų | 203 | 151.6 Ų | 151.6 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | 166.5 | 139.4 | 103.7 | -88.5 | 175 | -174.5 | 173.6 | 0 | 112.7 | |||||
| 501 | N | 23.6 | Very low | 25.2 | Very low | 159 Ų | 159 | 154.6 Ų | 154.6 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -34.9 | 139.7 | 169.8 | -61.3 | -25.8 | 0 | 0 | 0 | 116.1 | ||||
| 502 | C | 26.1 | Very low | 25.1 | Very low | 127 Ų | 127 | 154.4 Ų | 154.4 | 86% | 0.858 | 81% | 0.806 | S | S | * | * | trans | -169.7 | 118.7 | 131.1 | -115.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 503 | E | 22.8 | Very low | 25.6 | Very low | 191 Ų | 191 | 153.3 Ų | 153.3 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -59.5 | 134.4 | 159.5 | -70.3 | 170.2 | 123.3 | 0 | 0 | 110.1 | ||||
| 504 | V | 29.9 | Very low | 25.8 | Very low | 139 Ų | 139 | 151.4 Ų | 151.4 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | -154.2 | 122.7 | 142.2 | -178.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 505 | N | 23.7 | Very low | 26.2 | Very low | 150 Ų | 150 | 147.5 Ų | 147.5 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -47.1 | 144.4 | 167.6 | -78.3 | -46.5 | 0 | 0 | 0 | 113.7 | ||||
| 506 | N | 29 | Very low | 26.3 | Very low | 171 Ų | 171 | 147 Ų | 147 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | trans | -153.8 | 130.2 | 139.3 | -100.5 | -21.6 | 0 | 0 | 0 | 112.7 | ||||
| 507 | R | 22.7 | Very low | 26.3 | Very low | 229 Ų | 229 | 149.7 Ų | 149.7 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -78.7 | 178.6 | 179 | -72.1 | 178.3 | 172.8 | -171.8 | -0.7 | 112.3 | ||||
| 508 | C | 22.6 | Very low | 26.2 | Very low | 97 Ų | 97 | 151.3 Ų | 151.3 | 66% | 0.655 | 80% | 0.804 | S | S | * | * | trans | 92.5 | 139.6 | 149.1 | -66.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 509 | E | 25 | Very low | 26 | Very low | 143 Ų | 143 | 149 Ų | 149 | 67% | 0.668 | 80% | 0.804 | S | S | * | * | cis | -169.9 | 155.9 | 12.5 | -115.3 | 156.2 | -145.6 | 0 | 0 | 109.1 | ||||
| 510 | V | 22.8 | Very low | 26.1 | Very low | 135 Ų | 135 | 152 Ų | 152 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -92.9 | 140.1 | 170.7 | 171.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 511 | Y | 26 | Very low | 25.8 | Very low | 200 Ų | 200 | 148.1 Ų | 148.1 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | -123.5 | 134.4 | 162.2 | -83.9 | -89.3 | 0 | 0 | 0 | 111 | ||||
| 512 | N | 26.4 | Very low | 25.9 | Very low | 155 Ų | 155 | 147.8 Ų | 147.8 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | -119.2 | 141.2 | 172.8 | -151.9 | 7.8 | 0 | 0 | 0 | 107.3 | ||||
| 513 | T | 33.2 | Very low | 25.7 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | trans | -132.5 | 118.4 | 173.7 | 47.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 514 | N | 31.2 | Very low | 25.9 | Very low | 164 Ų | 164 | 145.9 Ų | 145.9 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | 65.1 | 128.6 | 146.6 | -51 | -17.6 | 0 | 0 | 0 | 118.4 | ||||
| 515 | G | 28.8 | Very low | 25.6 | Very low | 66 Ų | 66 | 147.2 Ų | 147.2 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | cis | 170.3 | 149.9 | 5.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 516 | S | 25.7 | Very low | 25.5 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | 82.4 | 117.2 | 165.8 | 75.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 517 | P | 24.5 | Very low | 25.3 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -105.7 | 150.6 | 174.5 | 37.7 | -28.3 | 0 | 0 | 0 | 112.2 | ||||
| 518 | K | 27.3 | Very low | 25.4 | Very low | 211 Ų | 211 | 138.9 Ų | 138.9 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | trans | -141.7 | 119.7 | 150.1 | -79.1 | -166.3 | 179 | 175.5 | 0 | 111.4 | ||||
| 519 | S | 22.5 | Very low | 25.6 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | -58.6 | 148.3 | 165.4 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 520 | F | 25.2 | Very low | 25.7 | Very low | 197 Ų | 197 | 141.2 Ų | 141.2 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | -166.9 | 115.5 | 123.9 | -109.6 | -77.6 | 0 | 0 | 0 | 110 | |||||
| 521 | T | 22.2 | Very low | 26 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | -79.4 | 141.5 | 161 | 40.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 522 | N | 26.4 | Very low | 26.2 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -169.6 | 129 | 136 | -93 | -15.6 | 0 | 0 | 0 | 111.6 | ||||
| 523 | S | 21.9 | Very low | 26 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -59 | 153 | 164.2 | 48.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 524 | I | 26.7 | Very low | 25.9 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 91% | 0.913 | 78% | 0.777 | S | S | * | * | trans | -174.9 | 151.1 | 135.9 | -89.2 | 146.9 | 0 | 0 | 0 | 110.2 | ||||
| 525 | H | 22.8 | Very low | 25.9 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -95.8 | 167.8 | -161.1 | -144.4 | -69.7 | 0 | 0 | 0 | 113.8 | ||||
| 526 | C | 23.1 | Very low | 25.9 | Very low | 89 Ų | 89 | 144.2 Ų | 144.2 | 60% | 0.601 | 78% | 0.783 | S | S | * | * | trans | 85.4 | 114.1 | 149 | -80.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 527 | N | 23.9 | Very low | 25.9 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | 85.3 | 131.6 | 115 | -70.6 | 3 | 0 | 0 | 0 | 124.4 | |||||
| 528 | H | 26.1 | Very low | 26 | Very low | 152 Ų | 152 | 149 Ų | 149 | 70% | 0.704 | 79% | 0.785 | S | S | * | * | trans | 83.3 | 128.3 | 142.4 | -92.4 | -101.8 | 0 | 0 | 0 | 122.1 | ||||
| 529 | E | 26.5 | Very low | 26.1 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 71% | 0.71 | 78% | 0.784 | S | S | * | * | trans | 91.5 | 126.9 | 139.6 | -82.1 | 159.6 | -157.2 | 0 | 0 | 122.3 | ||||
| 530 | D | 26.4 | Very low | 26.1 | Very low | 136 Ų | 136 | 144.6 Ų | 144.6 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 73.3 | 99.4 | 150.5 | -55 | -21.9 | 0 | 0 | 0 | 120.4 | ||||
| 531 | T | 29.8 | Very low | 26.3 | Very low | 140 Ų | 140 | 143 Ų | 143 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | 173.4 | 109.3 | 109.1 | 31.5 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 532 | V | 29.1 | Very low | 26.3 | Very low | 145 Ų | 145 | 143.9 Ų | 143.9 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | 40.2 | 113.8 | 137.3 | -168.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 533 | C | 22.4 | Very low | 26.3 | Very low | 113 Ų | 113 | 143 Ų | 143 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -82.3 | 166.7 | 164.9 | -114.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 534 | P | 31.8 | Very low | 26.6 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | -157.3 | 166.6 | 62.6 | 40.6 | -18.2 | 0 | 0 | 0 | 120.8 | |||||
| 535 | K | 30.4 | Very low | 26.5 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | 97.8 | 88.7 | 159.8 | -58.3 | -176 | 178.5 | 179.4 | 0 | 116 | ||||
| 536 | K | 28.3 | Very low | 26.6 | Very low | 192 Ų | 192 | 141 Ų | 141 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | 58.8 | 118.6 | 69.7 | -74.9 | -163 | 174.1 | -176.1 | 0 | 113.9 | |||||
| 537 | D | 27.7 | Very low | 26.7 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | cis | -149.3 | 114.3 | 13.5 | -72.7 | -47.1 | 0 | 0 | 0 | 111.2 | ||||
| 538 | E | 25.8 | Very low | 26.8 | Very low | 202 Ų | 202 | 146.7 Ų | 146.7 | 94% | 0.944 | 80% | 0.795 | S | S | * | * | trans | -127.7 | 116.1 | 153.5 | -93.1 | -168.8 | 162.2 | 0 | 0 | 106.5 | ||||
| 539 | A | 29.2 | Very low | 26.9 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | trans | -111.6 | 96.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 540 | C | 22.8 | Very low | 26.8 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -70.9 | 144.8 | 154.5 | -158.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 541 | I | 28.5 | Very low | 26.6 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -169.9 | 102.4 | 133 | -87.3 | 147 | 0 | 0 | 0 | 108 | ||||
| 542 | L | 23.8 | Very low | 26.4 | Very low | 140 Ų | 140 | 144 Ų | 144 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | 42.8 | 109.6 | 125.3 | -134.6 | 79.9 | 0 | 0 | 0 | 118.7 | |||||
| 543 | N | 26 | Very low | 26.1 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | -170.2 | 131.8 | 113.4 | -101.2 | -21.2 | 0 | 0 | 0 | 112.9 | |||||
| 544 | N | 27.4 | Very low | 26.2 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 68% | 0.679 | 73% | 0.733 | S | S | * | * | trans | 71.2 | 102.8 | 155.2 | -55.8 | -30.1 | 0 | 0 | 0 | 117.2 | ||||
| 545 | L | 24.3 | Very low | 26 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 85% | 0.853 | 73% | 0.733 | S | S | * | * | 57.3 | 85.9 | 91.4 | -85.2 | 148.4 | 0 | 0 | 0 | 112.6 | |||||
| 546 | C | 24.8 | Very low | 25.7 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | trans | 170.4 | 105 | 138.4 | -95.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 547 | Q | 25.9 | Very low | 25.4 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | 57.4 | 89.8 | 113 | -80.2 | -176.5 | -24.2 | 0 | 0 | 115 | |||||
| 548 | D | 27.1 | Very low | 25.4 | Very low | 178 Ų | 178 | 134 Ų | 134 | 95% | 0.952 | 73% | 0.733 | S | S | * | * | trans | -96.9 | 79.9 | 151 | -89.6 | -28 | 0 | 0 | 0 | 108.1 | ||||
| 549 | N | 26.4 | Very low | 25.3 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 66% | 0.658 | 73% | 0.727 | S | S | * | * | trans | -137.9 | 100.4 | 179.6 | -140.1 | 16.2 | 0 | 0 | 0 | 107.7 | ||||
| 550 | Q | 24.5 | Very low | 25.1 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 55% | 0.551 | 72% | 0.721 | S | S | * | * | trans | 55.4 | 165.9 | 164 | -72.1 | -176.1 | -29 | 0 | 0 | 119 | S474 | S474-Q550 PolarHBondContact OG-NE2 3.4Å; S474-Q550 VanDerWaalsContact OG-NE2 3.08Å | ||
| 551 | T | 23.7 | Very low | 25.1 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 58% | 0.577 | 72% | 0.723 | S | S | * | * | trans | 69.8 | 126.6 | 170 | 44.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 552 | Y | 24.3 | Very low | 25 | Very low | 189 Ų | 189 | 132 Ų | 132 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | -171.6 | 140.1 | 58.8 | -77.3 | -89.1 | 0 | 0 | 0 | 105.6 | |||||
| 553 | M | 23.7 | Very low | 25 | Very low | 52 Ų | 52 | 132.5 Ų | 132.5 | 26% | 0.256 | 72% | 0.723 | S | S | . | * | cis | 44.6 | 112 | 25.7 | -81.7 | -62.5 | -77.6 | 0 | 0 | 118.4 | F470 I471 | F470-M553 VanDerWaalsContact C-CE 3.46Å; F470-M553 HydrophobicContact CB-SD 4.14Å; F470-M553 PolarHBondContact N-SD 3.43Å; F470-M553 VanDerWaalsContact N-SD 3.35Å; F470-M553 WeakPolarHBondContact O-CG 3.42Å; I471-M553 HydrophobicContact CB-CE 4.47Å; I471-M553 HydrophobicContact CB-CG 4.33Å; I471-M553 HydrophobicContact CD1-CE 4.48Å; I471-M553 HydrophobicContact CG1-CB 4Å; I471-M553 HydrophobicContact CG1-CE 3.48Å; I471-M553 VanDerWaalsContact CG1-CE 3.48Å; I471-M553 HydrophobicContact CG1-CG 3.84Å | ||
| 554 | L | 24.2 | Very low | 25 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 56% | 0.56 | 73% | 0.731 | S | S | * | * | trans | 58.1 | 124.2 | 167.1 | -88.7 | 89.1 | 0 | 0 | 0 | 114.8 | ||||
| 555 | N | 26.9 | Very low | 24.8 | Very low | 136 Ų | 136 | 138 Ų | 138 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | -170.7 | 70.2 | 123.4 | -87.9 | -16 | 0 | 0 | 0 | 108.6 | |||||
| 556 | D | 23.8 | Very low | 24.9 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | S | Bend | -79.7 | 137.4 | 128.9 | -81.7 | -39.2 | 0 | 0 | 0 | 105.6 | |||
| 557 | C | 23.6 | Very low | 24.9 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 75% | 0.75 | 73% | 0.726 | S | S | * | * | trans | 92.7 | 86.6 | -173.3 | -60.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 558 | C | 26 | Very low | 24.9 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 87% | 0.872 | 72% | 0.721 | S | S | * | * | -177 | 100.7 | 115.4 | -94.8 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 559 | E | 24 | Very low | 24.8 | Very low | 177 Ų | 177 | 133.1 Ų | 133.1 | 83% | 0.827 | 71% | 0.711 | S | S | * | * | trans | -64.9 | 150.5 | 151 | -89.2 | -177 | 145.5 | 0 | 0 | 110.3 | ||||
| 560 | T | 24.8 | Very low | 24.9 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 76% | 0.761 | 72% | 0.717 | S | S | * | * | trans | 68.4 | 126.1 | 164.3 | 61.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 561 | T | 24.2 | Very low | 25 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | cis | -176.7 | 166.8 | 42.4 | -20.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 562 | S | 26.3 | Very low | 25.2 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | 95.5 | 77.9 | 162.8 | 80.5 | 0 | 0 | 0 | 0 | 118.1 | K564 | S562-K564 PolarHBondContact O-N 3.37Š| ||
| 563 | L | 22.6 | Very low | 25.3 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | trans | -42.5 | 124.7 | 131.7 | -105.8 | 141.6 | 0 | 0 | 0 | 110.6 | F565 | L563-F565 HydrophobicContact CD2-CD2 4.43Š| ||
| 564 | K | 27.4 | Very low | 25.5 | Very low | 202 Ų | 202 | 141.8 Ų | 141.8 | 88% | 0.878 | 77% | 0.771 | S | S | * | * | trans | -157.7 | 109.3 | 141.7 | -108.8 | 170.7 | -173.2 | -178.3 | 0 | 110.7 | S562 | S562-K564 PolarHBondContact O-N 3.37Š| ||
| 565 | F | 22.5 | Very low | 25.7 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -31.3 | 144 | 151.8 | -91.4 | -106.8 | 0 | 0 | 0 | 112.9 | L563 | L563-F565 HydrophobicContact CD2-CD2 4.43Š| ||
| 566 | T | 25.4 | Very low | 25.8 | Very low | 119 Ų | 119 | 143 Ų | 143 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | 173.3 | 132.3 | 101 | 39.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 567 | H | 26.1 | Very low | 26 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 70% | 0.704 | 77% | 0.769 | S | S | * | * | trans | 66.1 | 119.2 | 134.7 | -90.3 | -88.6 | 0 | 0 | 0 | 122.6 | ||||
| 568 | N | 26.3 | Very low | 26.3 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | 152.8 | 102.5 | 104.1 | -90.8 | -16.3 | 0 | 0 | 0 | 111.3 | |||||
| 569 | T | 24.9 | Very low | 26.4 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | 77.4 | 113.7 | 96.3 | 48.7 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 570 | S | 28.7 | Very low | 26.3 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -165.9 | 91.7 | 132.5 | 54.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 571 | Q | 26.5 | Very low | 26.4 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | 69.4 | 104.7 | 107.1 | -78.6 | -173.4 | -10.9 | 0 | 0 | 115.3 | |||||
| 572 | S | 28 | Very low | 26.4 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | trans | -152.8 | 132.2 | 131.3 | -171.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 573 | Y | 25.1 | Very low | 26.6 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | trans | -58.8 | 135.7 | -174 | -92.9 | -121.4 | 0 | 0 | 0 | 114 | ||||
| 574 | N | 29.1 | Very low | 26.7 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | -168.6 | 143.4 | 105.1 | -121 | -24.2 | 0 | 0 | 0 | 113.2 | |||||
| 575 | Q | 27.8 | Very low | 26.7 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 67% | 0.668 | 77% | 0.765 | S | S | * | * | trans | -74.1 | 142.9 | -167.5 | -64.4 | 160.7 | -42.2 | 0 | 0 | 114.1 | ||||
| 576 | N | 28.6 | Very low | 27 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | 156.7 | 126 | 108.9 | -84.9 | -39.8 | 0 | 0 | 0 | 112.8 | |||||
| 577 | N | 28.5 | Very low | 26.9 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | trans | 76.2 | 104.7 | 135.4 | -71.1 | -12.5 | 0 | 0 | 0 | 121.5 | ||||
| 578 | I | 29.4 | Very low | 26.9 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | 132.5 | 136.3 | 118.1 | -70.4 | 152.3 | 0 | 0 | 0 | 114.5 | |||||
| 579 | P | 27.4 | Very low | 26.8 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | trans | -120.5 | 168 | -151.3 | 38.6 | -21.4 | 0 | 0 | 0 | 116.5 | ||||
| 580 | R | 22.6 | Very low | 26.8 | Very low | 252 Ų | 252 | 144.8 Ų | 144.8 | 95% | 0.951 | 79% | 0.793 | S | S | * | * | trans | 57.8 | 133.4 | 143.5 | -74.9 | 176.2 | 179.9 | 174.6 | 0.4 | 121.7 | ||||
| 581 | G | 27.4 | Very low | 26.5 | Very low | 66 Ų | 66 | 151.4 Ų | 151.4 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | trans | 154.8 | 85.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 582 | S | 24.6 | Very low | 26.4 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | 68.8 | 109.8 | 103.5 | 70.7 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 583 | S | 29 | Very low | 26.4 | Very low | 117 Ų | 117 | 146 Ų | 146 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -174.3 | 109.2 | 131.2 | 19.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 584 | S | 25.9 | Very low | 26.4 | Very low | 123 Ų | 123 | 144.8 Ų | 144.8 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -72.3 | 118.8 | 164.1 | 48.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 585 | S | 27.3 | Very low | 26.2 | Very low | 105 Ų | 105 | 145.1 Ų | 145.1 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -166.8 | 140.1 | 157.8 | 56 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 586 | L | 27.8 | Very low | 25.9 | Very low | 169 Ų | 169 | 143.7 Ų | 143.7 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | trans | 101.9 | 51.7 | -175.8 | -56.5 | 169.7 | 0 | 0 | 0 | 114.9 | ||||
| 587 | L | 24.6 | Very low | 25.8 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | trans | -131.8 | 59.7 | 156.9 | -145.8 | 121.5 | 0 | 0 | 0 | 110.3 | ||||
| 588 | E | 24.6 | Very low | 25.6 | Very low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -162 | 140.5 | 165.8 | -124.3 | 99.1 | -143.1 | 0 | 0 | 107.7 | ||||
| 589 | C | 25.5 | Very low | 25.5 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | 89.2 | 111.3 | -165.7 | -68 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 590 | Y | 25.1 | Very low | 25.7 | Very low | 203 Ų | 203 | 142.6 Ų | 142.6 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | cis | -166.6 | 110.9 | 37.8 | -133.7 | -118 | 0 | 0 | 0 | 107.7 | A593 | Y590-A593 HydrophobicContact CE1-CB 4.38Š| ||
| 591 | R | 22.4 | Very low | 26.2 | Very low | 250 Ų | 250 | 135.6 Ų | 135.6 | 94% | 0.943 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -111.8 | 130.5 | 165 | -150.3 | -179.2 | -155.8 | 162.2 | 4.7 | 105.1 | ||
| 592 | S | 23.4 | Very low | 26.4 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | 78.6 | 92.9 | -177.3 | -71.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 593 | A | 27.8 | Very low | 27 | Very low | 74 Ų | 74 | 139.1 Ų | 139.1 | 61% | 0.612 | 78% | 0.783 | S | S | * | * | trans | -167.1 | 102.7 | 138.2 | 0 | 0 | 0 | 0 | 0 | 107 | Y590 | Y590-A593 HydrophobicContact CE1-CB 4.38Š| ||
| 594 | H | 26.4 | Very low | 27.4 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | 64.3 | 118.6 | 98 | -100.4 | -92.7 | 0 | 0 | 0 | 114.7 | |||||
| 595 | Q | 24.2 | Very low | 28.1 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | 70.3 | 111.6 | 143 | -89.9 | 156.8 | -38.7 | 0 | 0 | 119.6 | ||||
| 596 | S | 22.1 | Very low | 28.6 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | trans | 53.3 | 89.3 | 136.3 | 55.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 597 | S | 25.6 | Very low | 28.8 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | trans | -163.4 | 114.8 | 147.8 | 56.1 | 0 | 0 | 0 | 0 | 109.3 | S599 | S597-S599 PolarHBondContact O-N 3.05Å; S597-S599 VanDerWaalsContact O-N 3.1Å | ||
| 598 | V | 24.6 | Very low | 29.2 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 95% | 0.945 | 72% | 0.721 | S | S | * | * | trans | -67.6 | 102.8 | 166.6 | 174.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 599 | S | 28.3 | Very low | 29.9 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | trans | -83.8 | 123.5 | 172.2 | 48.2 | 0 | 0 | 0 | 0 | 109.8 | S597 | S597-S599 PolarHBondContact O-N 3.05Å; S597-S599 VanDerWaalsContact O-N 3.1Å | ||
| 600 | L | 30.2 | Very low | 30.3 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 69% | 0.686 | 71% | 0.71 | S | S | * | * | trans | -36.5 | 134.9 | 168.5 | -128.4 | 79.3 | 0 | 0 | 0 | 111.6 | D602 | L600-D602 PolarHBondContact O-N 2.91Š| ||
| 601 | P | 34.2 | Very low | 30.7 | Very low | 105 Ų | 105 | 137 Ų | 137 | 68% | 0.682 | 71% | 0.707 | S | S | * | * | trans | -69 | 117.8 | 166.3 | 20.4 | -15.2 | 0 | 0 | 0 | 108.3 | L603 | P601-L603 PolarHBondContact O-N 3.24Š| ||
| 602 | D | 31.9 | Very low | 31.1 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 66% | 0.658 | 70% | 0.696 | S | S | * | * | trans | -46.9 | 126.6 | 175.6 | -108.6 | -36.5 | 0 | 0 | 0 | 110.8 | L600 H604 H605 | L600-D602 PolarHBondContact O-N 2.91Å; D602-H604 HydrophobicContact CB-CB 4.41Å; D602-H604 PolarHBondContact O-N 3.46Å; D602-H605 PolarHBondContact O-N 3.27Å | ||
| 603 | L | 36.5 | Very low | 31.3 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 70% | 0.696 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -50.3 | -18.3 | 174 | -122.4 | 95.3 | 0 | 0 | 0 | 112.8 | P601 | P601-L603 PolarHBondContact O-N 3.24Å |
| 604 | H | 38.3 | Very low | 31.4 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 50% | 0.495 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -72.6 | -20.4 | 177.5 | -134.6 | -64.4 | 0 | 0 | 0 | 114.5 | D602 | D602-H604 HydrophobicContact CB-CB 4.41Å; D602-H604 PolarHBondContact O-N 3.46Å |
| 605 | H | 39.6 | Very low | 31.5 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 57% | 0.565 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -81.6 | -38.9 | 176 | -104.6 | -83.1 | 0 | 0 | 0 | 112.5 | D602 R607 R608 V609 | D602-H605 PolarHBondContact O-N 3.27Å; H605-R607 VanDerWaalsContact C-N 3.26Å; H605-R607 PolarHBondContact O-N 3.42Å; H605-R608 PolarHBondContact O-N 3.02Å; H605-R608 VanDerWaalsContact O-N 3.1Å; H605-V609 PolarHBondContact O-N 3.06Å |
| 606 | L | 37.5 | Very low | 31.7 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 57% | 0.565 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -61.7 | -35.5 | 172.7 | -85.7 | 161.8 | 0 | 0 | 0 | 112 | R608 | L606-R608 VanDerWaalsContact C-N 3.3Å; L606-R608 PolarHBondContact O-N 3.25Å |
| 607 | R | 33.2 | Very low | 32.1 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 60% | 0.596 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -70.9 | -20.7 | 176.1 | -174.9 | 175.7 | -84.5 | 169 | -4.5 | 113.5 | H605 K611 | H605-R607 VanDerWaalsContact C-N 3.26Å; H605-R607 PolarHBondContact O-N 3.42Å; R607-K611 WeakPolarHBondContact O-CB 3.32Å |
| 608 | R | 32.3 | Very low | 32.2 | Very low | 171 Ų | 171 | 136 Ų | 136 | 65% | 0.645 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -94.1 | -28 | -174.9 | -131.9 | -176.3 | -75.6 | 178.6 | -3.2 | 113.1 | H605 L606 Y610 | H605-R608 PolarHBondContact O-N 3.02Å; H605-R608 VanDerWaalsContact O-N 3.1Å; L606-R608 VanDerWaalsContact C-N 3.3Å; L606-R608 PolarHBondContact O-N 3.25Å; R608-Y610 VanDerWaalsContact C-N 3.34Å |
| 609 | V | 39.1 | Very low | 32.2 | Very low | 108 Ų | 108 | 132 Ų | 132 | 66% | 0.655 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -78.1 | -18.8 | 177.4 | 178 | 0 | 0 | 0 | 0 | 112.5 | H605 | H605-V609 PolarHBondContact O-N 3.06Å |
| 610 | Y | 34.8 | Very low | 32.2 | Very low | 196 Ų | 196 | 134.3 Ų | 134.3 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | 18.1 | -178.9 | -83.7 | -82 | 0 | 0 | 0 | 114.2 | R608 | R608-Y610 VanDerWaalsContact C-N 3.34Š|
| 611 | K | 32.3 | Very low | 31.9 | Very low | 169 Ų | 169 | 132.7 Ų | 132.7 | 74% | 0.735 | 72% | 0.718 | S | S | * | * | trans | -100.8 | 22.6 | -176 | -142.8 | -175.5 | 176.7 | -172.7 | 0 | 115.2 | R607 | R607-K611 WeakPolarHBondContact O-CB 3.32Š| ||
| 612 | T | 30.9 | Very low | 31.5 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 71% | 0.712 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -104.8 | 128.1 | 164.7 | 42.3 | 0 | 0 | 0 | 0 | 107.4 | ||
| 613 | D | 28.7 | Very low | 31.2 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 82% | 0.824 | 73% | 0.725 | S | S | * | * | trans | 91 | 71.9 | -172.8 | -50.3 | -19.6 | 0 | 0 | 0 | 114.9 | ||||
| 614 | N | 29.1 | Very low | 30.6 | Very low | 176 Ų | 176 | 133.2 Ų | 133.2 | 94% | 0.941 | 73% | 0.725 | S | S | * | * | trans | -154.9 | 96.5 | 155.6 | -98.1 | -31 | 0 | 0 | 0 | 110.2 | ||||
| 615 | S | 28.6 | Very low | 30 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | trans | -128.3 | 120.1 | 157.3 | 50.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 616 | S | 29.3 | Very low | 29.5 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | 60.1 | 122.6 | 172 | 56.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 617 | E | 29.6 | Very low | 29 | Very low | 183 Ų | 183 | 134 Ų | 134 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | cis | -158.3 | 161.1 | 45.6 | -77.2 | -172 | 127.4 | 0 | 0 | 113.2 | ||||
| 618 | S | 27.4 | Very low | 28.8 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -65.2 | 131.6 | 176.1 | 44.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 619 | G | 25.4 | Very low | 28.5 | Very low | 73 Ų | 73 | 136.3 Ų | 136.3 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | 62.2 | 99.7 | 129.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 620 | V | 26.9 | Very low | 28 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 92% | 0.915 | 77% | 0.771 | S | S | * | * | trans | -147.9 | 114.2 | 130.2 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 621 | S | 23.9 | Very low | 28.1 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | -79.2 | 151.7 | 169.2 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 622 | S | 25.8 | Very low | 28.2 | Very low | 98 Ų | 98 | 126.1 Ų | 126.1 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | 81.2 | 139.8 | 148.5 | 78.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 623 | Q | 25.6 | Very low | 28.3 | Very low | 170 Ų | 170 | 128.4 Ų | 128.4 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 83 | 97.7 | 160.4 | -56.5 | 179.1 | -1.1 | 0 | 0 | 117.5 | ||||
| 624 | C | 24.6 | Very low | 28.4 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | trans | -146.5 | 75.2 | 142 | -95.4 | 0 | 0 | 0 | 0 | 108.8 | Y628 | C624-Y628 HydrophobicContact CB-CD2 4.39Å; C624-Y628 HydrophobicContact CB-CE2 4.07Å; C624-Y628 WeakPolarHBondContact SG-CE2 3.34Å | ||
| 625 | S | 25.8 | Very low | 28.6 | Very low | 96 Ų | 96 | 121.2 Ų | 121.2 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | trans | -65.9 | 152.7 | 158.3 | -54.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 626 | L | 28.2 | Very low | 28.7 | Very low | 181 Ų | 181 | 127.7 Ų | 127.7 | 95% | 0.948 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 6.6 | 115.7 | 159.6 | -96.3 | 67.3 | 0 | 0 | 0 | 116.8 | ||
| 627 | G | 28.6 | Very low | 28.8 | Very low | 77 Ų | 77 | 132.1 Ų | 132.1 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | 127.4 | 13.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | K629 | G627-K629 PolarHBondContact O-N 3.06Š| ||
| 628 | Y | 27.4 | Very low | 28.7 | Very low | 177 Ų | 177 | 127.5 Ų | 127.5 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | trans | -85.1 | 99.2 | -179.3 | -66.4 | -83.6 | 0 | 0 | 0 | 112.7 | C624 C630 | C624-Y628 HydrophobicContact CB-CD2 4.39Å; C624-Y628 HydrophobicContact CB-CE2 4.07Å; C624-Y628 WeakPolarHBondContact SG-CE2 3.34Å; Y628-C630 PolarHBondContact O-N 3.46Å; Y628-C630 VanDerWaalsContact O-N 3.13Å | ||
| 629 | K | 27.1 | Very low | 28.8 | Very low | 201 Ų | 201 | 131.3 Ų | 131.3 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | -49.9 | 112.7 | 153.6 | -88.7 | 174.9 | 173.8 | 172.5 | 0 | 108.2 | G627 S631 | G627-K629 PolarHBondContact O-N 3.06Å; K629-S631 PolarHBondContact O-N 3.39Å; K629-S631 VanDerWaalsContact O-N 3.14Å | ||
| 630 | C | 29.3 | Very low | 28.9 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 49% | 0.493 | 76% | 0.757 | S | S | . | * | trans | -64 | 113.7 | 170.6 | -168.8 | 0 | 0 | 0 | 0 | 108.9 | Y628 C632 L633 | Y628-C630 PolarHBondContact O-N 3.46Å; Y628-C630 VanDerWaalsContact O-N 3.13Å; C630-C632 PolarHBondContact O-N 2.86Å; C630-C632 VanDerWaalsContact O-N 3.16Å; C630-C632 VanDerWaalsContact SG-SG 3.66Å; C630-L633 PolarHBondContact O-N 3.47Å | ||
| 631 | S | 36.7 | Very low | 28.8 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -66.1 | -7.3 | 178.3 | 38.7 | 0 | 0 | 0 | 0 | 113.6 | K629 L633 A634 | K629-S631 PolarHBondContact O-N 3.39Å; K629-S631 VanDerWaalsContact O-N 3.14Å; S631-L633 PolarHBondContact O-N 2.97Å; S631-A634 PolarHBondContact O-N 3.3Å; S631-A634 VanDerWaalsContact O-N 3.1Å |
| 632 | C | 33.4 | Very low | 29 | Very low | 91 Ų | 91 | 137 Ų | 137 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -64.8 | -16.1 | 173.9 | -60.1 | 0 | 0 | 0 | 0 | 113.8 | C630 | C630-C632 PolarHBondContact O-N 2.86Å; C630-C632 VanDerWaalsContact O-N 3.16Å; C630-C632 VanDerWaalsContact SG-SG 3.66Å |
| 633 | L | 33.5 | Very low | 29.2 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 86% | 0.859 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -92.3 | -8.1 | 174.7 | -99.7 | 151.5 | 0 | 0 | 0 | 114.1 | C630 S631 | C630-L633 PolarHBondContact O-N 3.47Å; S631-L633 PolarHBondContact O-N 2.97Å |
| 634 | A | 31.4 | Very low | 29.3 | Very low | 74 Ų | 74 | 136.7 Ų | 136.7 | 61% | 0.612 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -19.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | S631 R636 | S631-A634 PolarHBondContact O-N 3.3Å; S631-A634 VanDerWaalsContact O-N 3.1Å; A634-R636 PolarHBondContact O-N 3.43Å |
| 635 | S | 31.4 | Very low | 29.4 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | 5.5 | -172.1 | -151.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 636 | R | 31 | Very low | 29.4 | Very low | 243 Ų | 243 | 139.7 Ų | 139.7 | 92% | 0.917 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 6.7 | -176.1 | -99.4 | -170.1 | -176.5 | -169.8 | 2.5 | 115.3 | A634 | A634-R636 PolarHBondContact O-N 3.43Š|
| 637 | K | 32.5 | Very low | 29.3 | Very low | 208 Ų | 208 | 140.6 Ų | 140.6 | 90% | 0.904 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -119.7 | -1.9 | -173.4 | -113.3 | -179.4 | -179.6 | -178.7 | 0 | 116.4 | ||
| 638 | S | 27.6 | Very low | 29.1 | Very low | 87 Ų | 87 | 146.5 Ų | 146.5 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -150.3 | 111.1 | -179.7 | 52.9 | 0 | 0 | 0 | 0 | 109.1 | ||
| 639 | E | 29.2 | Very low | 29 | Very low | 193 Ų | 193 | 144.3 Ų | 144.3 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | 153.9 | 61.5 | 153.4 | -84.5 | 177.3 | -174.4 | 0 | 0 | 109.1 | ||||
| 640 | L | 26.9 | Very low | 28.9 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -84.5 | 119.3 | 150.8 | -159.4 | 83 | 0 | 0 | 0 | 105.2 | ||||
| 641 | K | 25.9 | Very low | 28.8 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 87.2 | 105.7 | 171.2 | -58.3 | 177.5 | 176.7 | 179.5 | 0 | 116.7 | ||
| 642 | S | 27.7 | Very low | 28.5 | Very low | 105 Ų | 105 | 150.5 Ų | 150.5 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | 100.4 | 130.9 | 115 | 72.9 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 643 | V | 29.2 | Very low | 28.2 | Very low | 118 Ų | 118 | 154.6 Ų | 154.6 | 72% | 0.715 | 80% | 0.804 | S | S | * | * | trans | 101.6 | 102.4 | 145 | -168.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 644 | D | 27.3 | Very low | 28.1 | Very low | 144 Ų | 144 | 153.7 Ų | 153.7 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | 64.2 | 117.2 | 133.6 | -57.3 | -18.6 | 0 | 0 | 0 | 123 | ||||
| 645 | E | 27.8 | Very low | 28.2 | Very low | 192 Ų | 192 | 160.2 Ų | 160.2 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | 33.9 | 118.4 | 132.3 | -59.8 | -149.8 | 154.5 | 0 | 0 | 120.2 | ||||
| 646 | G | 25.4 | Very low | 28 | Very low | 72 Ų | 72 | 159.6 Ų | 159.6 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | 119.6 | 76.1 | 128.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 647 | E | 27.1 | Very low | 28 | Very low | 199 Ų | 199 | 152.4 Ų | 152.4 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | trans | -158.6 | 124.4 | 140 | -121.8 | 173.5 | 146.2 | 0 | 0 | 112 | ||||
| 648 | K | 23.8 | Very low | 28.3 | Very low | 202 Ų | 202 | 149.3 Ų | 149.3 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | trans | -67.5 | 128.3 | 174.2 | -71.6 | 171.8 | 175.2 | 174.6 | 0 | 108.9 | ||||
| 649 | C | 25.4 | Very low | 28.5 | Very low | 131 Ų | 131 | 150.5 Ų | 150.5 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | trans | -133.6 | 99.7 | 156.2 | -132.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 650 | Q | 25.6 | Very low | 28.6 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | trans | -66.3 | 154.7 | 159.9 | -75 | 169.1 | -52.2 | 0 | 0 | 108.9 | ||||
| 651 | D | 26.8 | Very low | 29.2 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | 74.5 | 98 | 163.8 | -54.7 | -26.2 | 0 | 0 | 0 | 118.2 | ||||
| 652 | K | 29 | Very low | 30 | Very low | 183 Ų | 183 | 140 Ų | 140 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | 165.5 | 101 | 122.1 | -89.5 | 166.5 | -178.1 | 178.9 | 0 | 110.3 | I654 | K652-I654 PolarHBondContact O-N 3.21Š| |||
| 653 | E | 29 | Very low | 30.4 | Very low | 177 Ų | 177 | 143.3 Ų | 143.3 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | trans | -66.7 | 96.5 | 163.2 | -77.1 | -173.9 | 152.4 | 0 | 0 | 109.4 | Y655 | E653-Y655 PolarHBondContact O-N 2.91Š| ||
| 654 | I | 31.4 | Very low | 30.8 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | -79.8 | 107.5 | 169.8 | -66.8 | 171.7 | 0 | 0 | 0 | 107.7 | K652 C656 | K652-I654 PolarHBondContact O-N 3.21Å; I654-C656 PolarHBondContact O-N 3.46Å | ||
| 655 | Y | 32.3 | Very low | 31.3 | Very low | 211 Ų | 211 | 138.2 Ų | 138.2 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | trans | -58.7 | 92.6 | 169.4 | -81.9 | -97.4 | 0 | 0 | 0 | 110.9 | E653 | E653-Y655 PolarHBondContact O-N 2.91Š| ||
| 656 | C | 27.7 | Very low | 32.2 | Very low | 92 Ų | 92 | 134.6 Ų | 134.6 | 62% | 0.622 | 73% | 0.726 | S | S | * | * | trans | -116.9 | 59.7 | 174.2 | -158.2 | 0 | 0 | 0 | 0 | 110 | I654 | I654-C656 PolarHBondContact O-N 3.46Š| ||
| 657 | C | 31.6 | Very low | 33.3 | Very low | 91 Ų | 91 | 139.3 Ų | 139.3 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | trans | -130.3 | 17.7 | -166.9 | -138.6 | 0 | 0 | 0 | 0 | 117.3 | T661 | C657-T661 PolarHBondContact O-OG1 3.25Š| ||
| 658 | N | 37.7 | Very low | 34.4 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -122 | -11.5 | 175.7 | -102.4 | 6.4 | 0 | 0 | 0 | 116.4 | T661 | N658-T661 WeakPolarHBondContact CA-OG1 3.43Å; N658-T661 PolarHBondContact O-OG1 3.47Å |
| 659 | C | 31 | Very low | 36.2 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 76% | 0.757 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -99.3 | -27.4 | 179.4 | -147.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 660 | C | 32.2 | Very low | 38 | Very low | 58 Ų | 58 | 128.3 Ų | 128.3 | 39% | 0.392 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -84.3 | -19.3 | 176.5 | -66.3 | 0 | 0 | 0 | 0 | 113.5 | E662 M663 C664 | C660-E662 VanDerWaalsContact C-N 3.35Å; C660-E662 PolarHBondContact O-N 3.42Å; C660-M663 PolarHBondContact O-N 2.75Å; C660-C664 WeakPolarHBondContact O-CB 3.42Å; C660-C664 PolarHBondContact O-N 3.06Å |
| 661 | T | 40.6 | Very low | 39.8 | Very low | 79 Ų | 79 | 127.1 Ų | 127.1 | 49% | 0.485 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.3 | -26.5 | -178.8 | 33.2 | 0 | 0 | 0 | 0 | 113.2 | C657 N658 | C657-T661 PolarHBondContact O-OG1 3.25Å; N658-T661 WeakPolarHBondContact CA-OG1 3.43Å; N658-T661 PolarHBondContact O-OG1 3.47Å |
| 662 | E | 41.1 | Very low | 41.4 | Very low | 169 Ų | 169 | 124.9 Ų | 124.9 | 79% | 0.79 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -26.7 | 176.5 | -79.4 | -171.9 | 147.8 | 0 | 0 | 113.8 | C660 | C660-E662 VanDerWaalsContact C-N 3.35Å; C660-E662 PolarHBondContact O-N 3.42Å |
| 663 | M | 37 | Very low | 43.1 | Very low | 176 Ų | 176 | 123 Ų | 123 | 87% | 0.867 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -13.4 | -176.3 | -71.1 | -178.3 | 73.4 | 0 | 0 | 114.3 | C660 | C660-M663 PolarHBondContact O-N 2.75Š|
| 664 | C | 36.9 | Very low | 44.8 | Very low | 100 Ų | 100 | 115.8 Ų | 115.8 | 68% | 0.676 | 60% | 0.6 | S | S | * | * | trans | -98.5 | 15.8 | 176.9 | -70.8 | 0 | 0 | 0 | 0 | 114.1 | C660 D666 | C660-C664 WeakPolarHBondContact O-CB 3.42Å; C660-C664 PolarHBondContact O-N 3.06Å; C664-D666 VanDerWaalsContact C-N 3.31Å; C664-D666 PolarHBondContact O-N 3.08Å | ||
| 665 | A | 39 | Very low | 46.7 | Very low | 54 Ų | 54 | 111.5 Ų | 111.5 | 45% | 0.446 | 58% | 0.576 | S | S | . | * | trans | -64.7 | 90.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 666 | D | 45.1 | Very low | 48.7 | Very low | 117 Ų | 117 | 102.4 Ų | 102.4 | 63% | 0.626 | 54% | 0.542 | S | S | * | . | trans | -63.5 | 155.8 | -172.7 | -153.9 | -13.7 | 0 | 0 | 0 | 111.8 | C664 H668 D669 | C664-D666 VanDerWaalsContact C-N 3.31Å; C664-D666 PolarHBondContact O-N 3.08Å; D666-H668 PolarHBondContact O-N 3.06Å; D666-D669 WeakPolarHBondContact O-CB 3.26Å; D666-D669 PolarHBondContact O-N 3.35Å | ||
| 667 | K | 48.6 | Very low | 51.1 | Low | 170 Ų | 170 | 103 Ų | 103 | 74% | 0.739 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -51 | -25.5 | -177.6 | -76.9 | -179.8 | 177 | 177.8 | 0 | 113.6 | D669 I670 | K667-D669 VanDerWaalsContact C-N 3.32Å; K667-D669 PolarHBondContact O-N 3.45Å; K667-I670 PolarHBondContact O-N 3.38Å |
| 668 | H | 51.6 | Low | 53.5 | Low | 158 Ų | 158 | 106.9 Ų | 106.9 | 73% | 0.731 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.4 | -29.7 | 174.9 | -109.7 | -80.8 | 0 | 0 | 0 | 114.2 | D666 I670 H672 | D666-H668 PolarHBondContact O-N 3.06Å; H668-I670 VanDerWaalsContact C-N 3.32Å; H668-H672 PolarHBondContact O-N 2.77Å |
| 669 | D | 60.7 | Low | 55.6 | Low | 61 Ų | 61 | 100.4 Ų | 100.4 | 33% | 0.326 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.5 | -27.6 | -179.8 | -159 | 27.6 | 0 | 0 | 0 | 111.3 | D666 K667 H672 R673 | D666-D669 WeakPolarHBondContact O-CB 3.26Å; D666-D669 PolarHBondContact O-N 3.35Å; K667-D669 VanDerWaalsContact C-N 3.32Å; K667-D669 PolarHBondContact O-N 3.45Å; D669-H672 PolarHBondContact O-N 2.79Å; D669-R673 WeakPolarHBondContact O-CB 3.39Å; D669-R673 WeakPolarHBondContact O-CG 3.47Å; D669-R673 PolarHBondContact O-N 3.37Å; D669-R673 IonicContact OD1-NE 2.9Å; D669-R673 IonicContact OD2-CZ 3.8Å; D669-R673 VanDerWaalsContact OD2-CZ 3.31Å; D669-R673 IonicContact OD2-NE 2.75Å; D669-R673 PolarHBondContact OD2-NE 3.29Å; D669-R673 IonicContact OD2-NH2 3.3Å; D669-R673 PolarHBondContact OD2-NH2 3.04Å |
| 670 | I | 62.9 | Low | 58.2 | Low | 83 Ų | 83 | 98.8 Ų | 98.8 | 43% | 0.426 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.8 | -46.1 | 176.9 | -57.3 | 175.1 | 0 | 0 | 0 | 110.7 | L205 K667 H668 H672 R673 L674 | L205-I670 HydrophobicContact CD2-CG2 3.84Å; K667-I670 PolarHBondContact O-N 3.38Å; H668-I670 VanDerWaalsContact C-N 3.32Å; I670-H672 VanDerWaalsContact C-N 3.32Å; I670-H672 PolarHBondContact O-N 2.96Å; I670-R673 PolarHBondContact O-N 3.34Å; I670-L674 HydrophobicContact CG2-CD1 4.03Å; I670-L674 HydrophobicContact CG2-CG 4.44Å; I670-L674 WeakPolarHBondContact O-CB 3.47Å; I670-L674 WeakPolarHBondContact O-CG 3.46Å; I670-L674 PolarHBondContact O-N 3.26Å |
| 671 | F | 62.8 | Low | 60.8 | Low | 142 Ų | 142 | 107 Ų | 107 | 62% | 0.623 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.2 | -39.9 | 176.3 | -86.7 | -80.3 | 0 | 0 | 0 | 111.9 | R673 L674 F675 | F671-R673 VanDerWaalsContact C-N 3.28Å; F671-R673 PolarHBondContact O-N 3.46Å; F671-L674 PolarHBondContact O-N 3.49Å; F671-F675 PolarHBondContact O-N 3.05Å |
| 672 | H | 61.9 | Low | 62.9 | Low | 101 Ų | 101 | 110.2 Ų | 110.2 | 47% | 0.468 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.8 | -24.4 | 177.3 | -155.1 | -59.5 | 0 | 0 | 0 | 112.9 | H668 D669 I670 F675 | H668-H672 PolarHBondContact O-N 2.77Å; D669-H672 PolarHBondContact O-N 2.79Å; I670-H672 VanDerWaalsContact C-N 3.32Å; I670-H672 PolarHBondContact O-N 2.96Å; H672-F675 CarbonylContact O-C 3.6Å; H672-F675 VanDerWaalsContact O-O 3.13Å |
| 673 | R | 63.6 | Low | 65.2 | Low | 143 Ų | 143 | 106.6 Ų | 106.6 | 54% | 0.54 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -80.1 | -34.4 | 170.9 | -73.5 | 174.2 | -167.2 | -146.7 | 8.6 | 112.8 | D669 I670 F671 | D669-R673 WeakPolarHBondContact O-CB 3.39Å; D669-R673 WeakPolarHBondContact O-CG 3.47Å; D669-R673 PolarHBondContact O-N 3.37Å; D669-R673 IonicContact OD1-NE 2.9Å; D669-R673 IonicContact OD2-CZ 3.8Å; D669-R673 VanDerWaalsContact OD2-CZ 3.31Å; D669-R673 IonicContact OD2-NE 2.75Å; D669-R673 PolarHBondContact OD2-NE 3.29Å; D669-R673 IonicContact OD2-NH2 3.3Å; D669-R673 PolarHBondContact OD2-NH2 3.04Å; I670-R673 PolarHBondContact O-N 3.34Å; F671-R673 VanDerWaalsContact C-N 3.28Å; F671-R673 PolarHBondContact O-N 3.46Å |
| 674 | L | 65.6 | Low | 67.6 | Low | 26 Ų | 26 | 101.9 Ų | 101.9 | 14% | 0.136 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -65.1 | -45.8 | 174.8 | -79.9 | 164.9 | 0 | 0 | 0 | 111.2 | P201 L205 I670 F671 | P201-L674 HydrophobicContact CB-CD2 4.31Å; P201-L674 VanDerWaalsContact O-CD2 3.26Å; P201-L674 WeakPolarHBondContact O-CD2 3.49Å; L205-L674 HydrophobicContact CB-CD2 3.59Å; L205-L674 HydrophobicContact CB-CG 4.46Å; L205-L674 HydrophobicContact CD2-CD1 4.45Å; L205-L674 HydrophobicContact CD2-CD2 3.89Å; L205-L674 HydrophobicContact CD2-CG 4.14Å; L205-L674 HydrophobicContact CG-CD2 4.19Å; I670-L674 HydrophobicContact CG2-CD1 4.03Å; I670-L674 HydrophobicContact CG2-CG 4.44Å; I670-L674 WeakPolarHBondContact O-CB 3.47Å; I670-L674 WeakPolarHBondContact O-CG 3.46Å; I670-L674 PolarHBondContact O-N 3.26Å; F671-L674 PolarHBondContact O-N 3.49Å |
| 675 | F | 71 | Confident | 70 | Confident | 55 Ų | 55 | 97.3 Ų | 97.3 | 24% | 0.241 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -115.5 | 88.3 | 177.4 | -66.5 | -83 | 0 | 0 | 0 | 108.9 | P201 F671 H672 L677 I813 F816 | P201-F675 HydrophobicContact CB-CZ 4.39Å; P201-F675 HydrophobicContact CG-CE1 4.38Å; P201-F675 HydrophobicContact CG-CZ 4.21Å; F671-F675 PolarHBondContact O-N 3.05Å; H672-F675 CarbonylContact O-C 3.6Å; H672-F675 VanDerWaalsContact O-O 3.13Å; F675-L677 HydrophobicContact CB-CD2 4.09Å; F675-L677 HydrophobicContact CB-CG 4.34Å; F675-L677 PolarHBondContact O-N 3.26Å; F675-I813 HydrophobicContact CD1-CG1 4Å; F675-I813 HydrophobicContact CE1-CG1 4.49Å; F675-F816 HydrophobicContact CE1-CD1 4.32Å; F675-F816 HydrophobicContact CE1-CG 4.48Å |
| 676 | D | 74.2 | Confident | 72.5 | Confident | 20 Ų | 20 | 97.1 Ų | 97.1 | 11% | 0.107 | 45% | 0.446 | C | S | . | . | trans | -70.2 | 82.1 | 167.8 | -176.9 | 13 | 0 | 0 | 0 | 108.6 | R678 L679 R806 | D676-R678 PolarHBondContact O-N 3.01Å; D676-R678 WeakPolarHBondContact OD1-CB 3.42Å; D676-R678 WeakPolarHBondContact OD1-CD 3.48Å; D676-R678 VanDerWaalsContact OD1-CG 3.25Å; D676-R678 WeakPolarHBondContact OD1-CG 3.43Å; D676-R678 PolarHBondContact OD1-N 3.22Å; D676-L679 HydrophobicContact CB-CD1 3.67Å; D676-L679 WeakPolarHBondContact O-CD1 3.49Å; D676-L679 PolarHBondContact O-N 3.49Å; D676-L679 WeakPolarHBondContact OD2-CD1 3.24Å; D676-R806 IonicContact OD2-CZ 2.62Å; D676-R806 IonicContact OD2-NH1 3Å; D676-R806 PolarHBondContact OD2-NH1 2.71Å | ||
| 677 | L | 78.7 | Confident | 74.7 | Confident | 103 Ų | 103 | 97.6 Ų | 97.6 | 54% | 0.539 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -60.6 | -11.8 | -177 | -65.2 | 178.9 | 0 | 0 | 0 | 112.8 | F675 L679 F680 | F675-L677 HydrophobicContact CB-CD2 4.09Å; F675-L677 HydrophobicContact CB-CG 4.34Å; F675-L677 PolarHBondContact O-N 3.26Å; L677-L679 PolarHBondContact O-N 3.24Å; L677-F680 HydrophobicContact CD2-CD2 3.87Å; L677-F680 HydrophobicContact CD2-CE2 3.97Å; L677-F680 PolarHBondContact O-N 2.72Å; L677-F680 VanDerWaalsContact O-N 3.09Å |
| 678 | R | 82.3 | Confident | 76.7 | Confident | 173 Ų | 173 | 90.1 Ų | 90.1 | 65% | 0.653 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -60.7 | -24.6 | 171.7 | -58.1 | 177.8 | 176.7 | -169.7 | 0.1 | 112 | D676 F680 R681 | D676-R678 PolarHBondContact O-N 3.01Å; D676-R678 WeakPolarHBondContact OD1-CB 3.42Å; D676-R678 WeakPolarHBondContact OD1-CD 3.48Å; D676-R678 VanDerWaalsContact OD1-CG 3.25Å; D676-R678 WeakPolarHBondContact OD1-CG 3.43Å; D676-R678 PolarHBondContact OD1-N 3.22Å; R678-F680 VanDerWaalsContact C-N 3.32Å; R678-F680 PolarHBondContact O-N 3.48Å; R678-R681 WeakPolarHBondContact O-CB 3.33Å; R678-R681 PolarHBondContact O-N 3.31Å |
| 679 | L | 81.4 | Confident | 78.5 | Confident | 8 Ų | 8 | 83 Ų | 83 | 4% | 0.042 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -63.7 | -37.3 | 174.7 | -82.5 | 79 | 0 | 0 | 0 | 111.8 | D676 L677 R681 R682 F685 V802 | D676-L679 HydrophobicContact CB-CD1 3.67Å; D676-L679 WeakPolarHBondContact O-CD1 3.49Å; D676-L679 PolarHBondContact O-N 3.49Å; D676-L679 WeakPolarHBondContact OD2-CD1 3.24Å; L677-L679 PolarHBondContact O-N 3.24Å; L679-R681 PolarHBondContact O-N 2.69Å; L679-R681 VanDerWaalsContact O-N 3.16Å; L679-R682 PolarHBondContact O-N 2.86Å; L679-R682 VanDerWaalsContact O-N 3.13Å; L679-F685 HydrophobicContact CB-CD1 3.92Å; L679-F685 HydrophobicContact CB-CE1 3.81Å; L679-F685 HydrophobicContact CB-CG 4.45Å; L679-F685 HydrophobicContact CB-CZ 4.26Å; L679-F685 HydrophobicContact CD2-CE1 4.32Å; L679-F685 HydrophobicContact CD2-CE2 4.02Å; L679-F685 HydrophobicContact CD2-CZ 3.91Å; L679-F685 WeakPolarHBondContact O-CD1 3.41Å; L679-V802 HydrophobicContact CD2-CG1 3.88Å; L679-V802 HydrophobicContact CD2-CG2 3.82Å; L679-V802 HydrophobicContact CG-CG1 4.44Å; L679-V802 HydrophobicContact CG-CG2 4.46Å |
| 680 | F | 86.1 | Confident | 80 | Confident | 79 Ų | 79 | 83.8 Ų | 83.8 | 35% | 0.346 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -67.6 | -12.6 | 177.4 | -71.4 | -83.5 | 0 | 0 | 0 | 113.6 | L677 R678 R682 V686 I813 | L677-F680 HydrophobicContact CD2-CD2 3.87Å; L677-F680 HydrophobicContact CD2-CE2 3.97Å; L677-F680 PolarHBondContact O-N 2.72Å; L677-F680 VanDerWaalsContact O-N 3.09Å; R678-F680 VanDerWaalsContact C-N 3.32Å; R678-F680 PolarHBondContact O-N 3.48Å; F680-R682 PolarHBondContact O-N 3.45Å; F680-V686 HydrophobicContact CB-CG2 4.31Å; F680-V686 HydrophobicContact CD1-CG2 4.12Å; F680-V686 WeakPolarHBondContact O-CG2 3.49Å; F680-I813 HydrophobicContact CE2-CD1 4.31Å; F680-I813 HydrophobicContact CE2-CG2 3.84Å; F680-I813 HydrophobicContact CZ-CG2 3.56Å |
| 681 | R | 85.9 | Confident | 81.4 | Confident | 230 Ų | 230 | 82.4 Ų | 82.4 | 87% | 0.868 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -72.7 | -19.2 | 174.3 | -165.7 | 171.3 | 177.4 | 160.9 | -1.2 | 112.4 | R678 L679 | R678-R681 WeakPolarHBondContact O-CB 3.33Å; R678-R681 PolarHBondContact O-N 3.31Å; L679-R681 PolarHBondContact O-N 2.69Å; L679-R681 VanDerWaalsContact O-N 3.16Å |
| 682 | R | 85.5 | Confident | 82.6 | Confident | 147 Ų | 147 | 75.7 Ų | 75.7 | 56% | 0.555 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -88.2 | 117.3 | 177.5 | -69 | -170.5 | 174.7 | -175.7 | -2 | 110.1 | L679 F680 T684 F685 V686 F801 | L679-R682 PolarHBondContact O-N 2.86Å; L679-R682 VanDerWaalsContact O-N 3.13Å; F680-R682 PolarHBondContact O-N 3.45Å; R682-T684 VanDerWaalsContact C-N 3.27Å; R682-T684 PolarHBondContact O-N 2.87Å; R682-F685 HydrophobicContact CB-CB 4.24Å; R682-F685 PolarHBondContact O-N 3.44Å; R682-F685 VanDerWaalsContact O-N 3.13Å; R682-V686 PolarHBondContact O-N 2.85Å; R682-F801 PolarHBondContact NH1-O 3.24Å |
| 683 | P | 88.2 | Confident | 84 | Confident | 92 Ų | 92 | 74.1 Ų | 74.1 | 60% | 0.597 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.6 | -35.2 | -176.3 | 24.4 | -33.8 | 0 | 0 | 0 | 112.6 | F685 V686 L687 | P683-F685 VanDerWaalsContact C-N 3.32Å; P683-F685 PolarHBondContact O-N 3.36Å; P683-V686 PolarHBondContact O-N 3.47Å; P683-L687 WeakPolarHBondContact O-CG 3.33Å; P683-L687 PolarHBondContact O-N 3.44Å |
| 684 | T | 88 | Confident | 85.2 | Confident | 78 Ų | 78 | 71.9 Ų | 71.9 | 48% | 0.479 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 176.9 | -44.2 | 0 | 0 | 0 | 0 | 112.3 | R682 F688 F801 | R682-T684 VanDerWaalsContact C-N 3.27Å; R682-T684 PolarHBondContact O-N 2.87Å; T684-F688 WeakPolarHBondContact O-CB 3.48Å; T684-F688 PolarHBondContact O-N 3.29Å; T684-F688 VanDerWaalsContact O-N 3.11Å; T684-F801 HydrophobicContact CG2-CD1 3.73Å; T684-F801 HydrophobicContact CG2-CE1 3.61Å; T684-F801 HydrophobicContact CG2-CG 4.25Å; T684-F801 HydrophobicContact CG2-CZ 4.02Å |
| 685 | F | 87.8 | Confident | 86.4 | Confident | 3 Ų | 3 | 72.4 Ų | 72.4 | 1% | 0.013 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.7 | -44.6 | 178 | 179.7 | -99.9 | 0 | 0 | 0 | 110.9 | L679 R682 P683 L687 F688 M689 L798 V802 I813 | L679-F685 HydrophobicContact CB-CD1 3.92Å; L679-F685 HydrophobicContact CB-CE1 3.81Å; L679-F685 HydrophobicContact CB-CG 4.45Å; L679-F685 HydrophobicContact CB-CZ 4.26Å; L679-F685 HydrophobicContact CD2-CE1 4.32Å; L679-F685 HydrophobicContact CD2-CE2 4.02Å; L679-F685 HydrophobicContact CD2-CZ 3.91Å; L679-F685 WeakPolarHBondContact O-CD1 3.41Å; R682-F685 HydrophobicContact CB-CB 4.24Å; R682-F685 PolarHBondContact O-N 3.44Å; R682-F685 VanDerWaalsContact O-N 3.13Å; P683-F685 VanDerWaalsContact C-N 3.32Å; P683-F685 PolarHBondContact O-N 3.36Å; F685-L687 PolarHBondContact O-N 3.33Å; F685-F688 PolarHBondContact O-N 3.49Å; F685-M689 HydrophobicContact CD1-CG 4.08Å; F685-M689 HydrophobicContact CD2-CE 4.35Å; F685-M689 HydrophobicContact CE1-CG 3.67Å; F685-M689 HydrophobicContact CE1-SD 4.23Å; F685-M689 HydrophobicContact CE2-CE 3.81Å; F685-M689 HydrophobicContact CE2-CG 4.29Å; F685-M689 HydrophobicContact CE2-SD 4.13Å; F685-M689 HydrophobicContact CZ-CE 4.07Å; F685-M689 HydrophobicContact CZ-CG 3.79Å; F685-M689 HydrophobicContact CZ-SD 3.74Å; F685-M689 VanDerWaalsContact O-CG 3.32Å; F685-M689 WeakPolarHBondContact O-CG 3.16Å; F685-M689 PolarHBondContact O-N 3.48Å; F685-L798 HydrophobicContact CD2-CD1 4.12Å; F685-L798 HydrophobicContact CE2-CD1 3.55Å; F685-V802 HydrophobicContact CD2-CG2 3.74Å; F685-V802 HydrophobicContact CE2-CG2 4.02Å; F685-I813 HydrophobicContact CE1-CG2 4.34Å; F685-I813 HydrophobicContact CZ-CG2 4.19Å |
| 686 | V | 91 | Very high | 87.2 | Confident | 50 Ų | 50 | 70.5 Ų | 70.5 | 30% | 0.303 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 178.4 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | F680 R682 P683 F688 M689 V690 | F680-V686 HydrophobicContact CB-CG2 4.31Å; F680-V686 HydrophobicContact CD1-CG2 4.12Å; F680-V686 WeakPolarHBondContact O-CG2 3.49Å; R682-V686 PolarHBondContact O-N 2.85Å; P683-V686 PolarHBondContact O-N 3.47Å; V686-F688 VanDerWaalsContact C-N 3.32Å; V686-F688 PolarHBondContact O-N 3.14Å; V686-M689 PolarHBondContact O-N 3.22Å; V686-V690 HydrophobicContact CG1-CG2 4.42Å; V686-V690 WeakPolarHBondContact O-CG2 3.39Å; V686-V690 PolarHBondContact O-N 3.24Å |
| 687 | L | 91.5 | Very high | 87.7 | Confident | 127 Ų | 127 | 71.4 Ų | 71.4 | 67% | 0.665 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.2 | -42.8 | 177.4 | -73.1 | 171.1 | 0 | 0 | 0 | 111.8 | P683 F685 V690 S691 | P683-L687 WeakPolarHBondContact O-CG 3.33Å; P683-L687 PolarHBondContact O-N 3.44Å; F685-L687 PolarHBondContact O-N 3.33Å; L687-V690 PolarHBondContact O-N 2.99Å; L687-S691 WeakPolarHBondContact O-CB 3.35Å; L687-S691 PolarHBondContact O-N 3.07Å |
| 688 | F | 90.5 | Very high | 88 | Confident | 13 Ų | 13 | 73 Ų | 73 | 6% | 0.057 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.5 | -40 | 175.9 | -178.5 | -113.5 | 0 | 0 | 0 | 112.3 | T684 F685 V686 S691 N692 Y753 C794 L797 F801 | T684-F688 WeakPolarHBondContact O-CB 3.48Å; T684-F688 PolarHBondContact O-N 3.29Å; T684-F688 VanDerWaalsContact O-N 3.11Å; F685-F688 PolarHBondContact O-N 3.49Å; V686-F688 VanDerWaalsContact C-N 3.32Å; V686-F688 PolarHBondContact O-N 3.14Å; F688-S691 PolarHBondContact O-N 3.13Å; F688-N692 WeakPolarHBondContact CE2-ND2 3.4Å; F688-N692 WeakPolarHBondContact CZ-ND2 3.46Å; F688-N692 PolarHBondContact O-N 3.31Å; F688-N692 PolarHBondContact O-ND2 2.94Å; F688-Y753 HydrophobicContact CE2-CE1 4.27Å; F688-C794 HydrophobicContact CZ-CB 4.3Å; F688-L797 HydrophobicContact CE2-CB 4.31Å; F688-L797 HydrophobicContact CE2-CD1 3.81Å; F688-L797 HydrophobicContact CZ-CB 4.18Å; F688-L797 HydrophobicContact CZ-CD1 4.3Å; F688-F801 HydrophobicContact CB-CD2 4.37Å; F688-F801 HydrophobicContact CB-CE2 3.94Å; F688-F801 HydrophobicContact CD1-CD2 4.23Å; F688-F801 HydrophobicContact CD1-CE2 4.13Å; F688-F801 AromaticContact CD2-CE2 3.98Å; F688-F801 HydrophobicContact CD2-CE2 3.98Å; F688-F801 HydrophobicContact CG-CD2 4.24Å; F688-F801 AromaticContact CG-CE2 3.75Å; F688-F801 HydrophobicContact CG-CE2 3.75Å |
| 689 | M | 90.2 | Very high | 88 | Confident | 8 Ų | 8 | 65.2 Ų | 65.2 | 4% | 0.039 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 174.9 | -68.7 | -56.8 | 96.3 | 0 | 0 | 112.5 | F685 V686 S691 N692 F693 C814 | F685-M689 HydrophobicContact CD1-CG 4.08Å; F685-M689 HydrophobicContact CD2-CE 4.35Å; F685-M689 HydrophobicContact CE1-CG 3.67Å; F685-M689 HydrophobicContact CE1-SD 4.23Å; F685-M689 HydrophobicContact CE2-CE 3.81Å; F685-M689 HydrophobicContact CE2-CG 4.29Å; F685-M689 HydrophobicContact CE2-SD 4.13Å; F685-M689 HydrophobicContact CZ-CE 4.07Å; F685-M689 HydrophobicContact CZ-CG 3.79Å; F685-M689 HydrophobicContact CZ-SD 3.74Å; F685-M689 VanDerWaalsContact O-CG 3.32Å; F685-M689 WeakPolarHBondContact O-CG 3.16Å; F685-M689 PolarHBondContact O-N 3.48Å; V686-M689 PolarHBondContact O-N 3.22Å; M689-S691 VanDerWaalsContact C-N 3.33Å; M689-S691 PolarHBondContact O-N 3.2Å; M689-N692 PolarHBondContact O-N 3.24Å; M689-F693 WeakPolarHBondContact O-CB 3.45Å; M689-F693 PolarHBondContact O-N 3.48Å; M689-C814 HydrophobicContact CE-CB 3.74Å; M689-C814 VanDerWaalsContact CE-SG 3.54Å; M689-C814 VanDerWaalsContact SD-CA 3.51Å; M689-C814 HydrophobicContact SD-CB 3.72Å |
| 690 | V | 91.9 | Very high | 87.6 | Confident | 79 Ų | 79 | 66.5 Ų | 66.5 | 48% | 0.479 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 177.5 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | V686 L687 F693 L694 | V686-V690 HydrophobicContact CG1-CG2 4.42Å; V686-V690 WeakPolarHBondContact O-CG2 3.39Å; V686-V690 PolarHBondContact O-N 3.24Å; L687-V690 PolarHBondContact O-N 2.99Å; V690-F693 PolarHBondContact O-N 3.48Å; V690-L694 HydrophobicContact CG1-CD1 4.2Å; V690-L694 WeakPolarHBondContact O-CG 3.46Å; V690-L694 PolarHBondContact O-N 3.27Å |
| 691 | S | 91.1 | Very high | 87.3 | Confident | 54 Ų | 54 | 63.2 Ų | 63.2 | 38% | 0.378 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.5 | -48.4 | 175.5 | -173.2 | 0 | 0 | 0 | 0 | 111.9 | L687 F688 M689 L694 L695 | L687-S691 WeakPolarHBondContact O-CB 3.35Å; L687-S691 PolarHBondContact O-N 3.07Å; F688-S691 PolarHBondContact O-N 3.13Å; M689-S691 VanDerWaalsContact C-N 3.33Å; M689-S691 PolarHBondContact O-N 3.2Å; S691-L694 PolarHBondContact O-N 2.97Å; S691-L695 WeakPolarHBondContact O-CB 3.28Å; S691-L695 PolarHBondContact O-N 2.86Å |
| 692 | N | 88.9 | Confident | 87 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 177.8 | -88.1 | -95.4 | 0 | 0 | 0 | 112 | F688 M689 L694 L695 Y696 N790 Q818 | F688-N692 WeakPolarHBondContact CE2-ND2 3.4Å; F688-N692 WeakPolarHBondContact CZ-ND2 3.46Å; F688-N692 PolarHBondContact O-N 3.31Å; F688-N692 PolarHBondContact O-ND2 2.94Å; M689-N692 PolarHBondContact O-N 3.24Å; N692-L694 VanDerWaalsContact C-N 3.35Å; N692-L694 PolarHBondContact O-N 3.27Å; N692-L695 PolarHBondContact O-N 3.35Å; N692-Y696 WeakPolarHBondContact O-CD2 3.39Å; N692-Y696 PolarHBondContact O-N 3.21Å; N692-N790 PolarHBondContact OD1-OD1 3.25Å; N692-Q818 HydrophobicContact CB-CG 4.48Å; N692-Q818 PolarHBondContact OD1-NE2 3.01Å; N692-Q818 VanDerWaalsContact OD1-NE2 3.16Å |
| 693 | F | 90.4 | Very high | 86.6 | Confident | 67 Ų | 67 | 49.5 Ų | 49.5 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.9 | -47.6 | 177.1 | -178.3 | -88 | 0 | 0 | 0 | 111.5 | M689 V690 F697 C817 V820 A821 | M689-F693 WeakPolarHBondContact O-CB 3.45Å; M689-F693 PolarHBondContact O-N 3.48Å; V690-F693 PolarHBondContact O-N 3.48Å; F693-F697 VanDerWaalsContact O-CB 3.32Å; F693-F697 WeakPolarHBondContact O-CB 3.47Å; F693-F697 PolarHBondContact O-N 2.86Å; F693-C817 WeakPolarHBondContact CD2-O 3.33Å; F693-V820 HydrophobicContact CE2-CB 4.43Å; F693-V820 HydrophobicContact CE2-CG1 4.13Å; F693-A821 HydrophobicContact CD2-CB 3.79Å; F693-A821 HydrophobicContact CE2-CB 3.85Å; F693-A821 HydrophobicContact CG-CB 4.23Å; F693-A821 HydrophobicContact CZ-CB 4.32Å; F693-A821 WeakPolarHBondContact O-CB 3.26Å |
| 694 | L | 90.2 | Very high | 85.8 | Confident | 97 Ų | 97 | 50.9 Ų | 50.9 | 51% | 0.508 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 178 | -69.8 | 173.8 | 0 | 0 | 0 | 112.6 | V690 S691 N692 W698 | V690-L694 HydrophobicContact CG1-CD1 4.2Å; V690-L694 WeakPolarHBondContact O-CG 3.46Å; V690-L694 PolarHBondContact O-N 3.27Å; S691-L694 PolarHBondContact O-N 2.97Å; N692-L694 VanDerWaalsContact C-N 3.35Å; N692-L694 PolarHBondContact O-N 3.27Å; L694-W698 PolarHBondContact O-N 3.06Å |
| 695 | L | 89.1 | Confident | 85.3 | Confident | 37 Ų | 37 | 50.1 Ų | 50.1 | 19% | 0.194 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.3 | -56.5 | 176.4 | -175.5 | 70.2 | 0 | 0 | 0 | 110.4 | S691 N692 F697 W698 Y699 I757 N790 | S691-L695 WeakPolarHBondContact O-CB 3.28Å; S691-L695 PolarHBondContact O-N 2.86Å; N692-L695 PolarHBondContact O-N 3.35Å; L695-F697 VanDerWaalsContact C-N 3.3Å; L695-F697 PolarHBondContact O-N 3.46Å; L695-W698 PolarHBondContact O-N 2.86Å; L695-Y699 VanDerWaalsContact O-CB 3.23Å; L695-Y699 WeakPolarHBondContact O-CB 3.25Å; L695-Y699 PolarHBondContact O-N 3.44Å; L695-I757 HydrophobicContact CD1-CG2 4.35Å; L695-I757 HydrophobicContact CD2-CD1 4.18Å; L695-N790 HydrophobicContact CD2-CB 3.89Å; L695-N790 VanDerWaalsContact CD2-CG 3.47Å; L695-N790 VanDerWaalsContact CD2-OD1 3.29Å; L695-N790 WeakPolarHBondContact CD2-OD1 3.39Å |
| 696 | Y | 87.8 | Confident | 85.1 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 6% | 0.055 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.5 | -28.5 | -176.8 | -82.9 | -84.7 | 0 | 0 | 0 | 113.6 | N692 W698 Y699 N790 D791 Q818 N822 | N692-Y696 WeakPolarHBondContact O-CD2 3.39Å; N692-Y696 PolarHBondContact O-N 3.21Å; Y696-W698 VanDerWaalsContact C-N 3.28Å; Y696-W698 PolarHBondContact O-N 3.35Å; Y696-Y699 PolarHBondContact O-N 3.39Å; Y696-N790 VanDerWaalsContact CE2-ND2 3.25Å; Y696-N790 WeakPolarHBondContact CE2-ND2 3.38Å; Y696-N790 VanDerWaalsContact CZ-ND2 3.35Å; Y696-N790 PolarHBondContact OH-ND2 3.38Å; Y696-D791 PolarHBondContact OH-OD1 3.19Å; Y696-Q818 HydrophobicContact CD1-CB 4.37Å; Y696-Q818 HydrophobicContact CD2-CB 3.9Å; Y696-Q818 HydrophobicContact CD2-CG 3.41Å; Y696-Q818 VanDerWaalsContact CD2-CG 3.41Å; Y696-Q818 HydrophobicContact CE2-CB 4.19Å; Y696-Q818 HydrophobicContact CE2-CG 3.52Å; Y696-Q818 VanDerWaalsContact CE2-NE2 3.28Å; Y696-Q818 HydrophobicContact CG-CB 3.96Å; Y696-Q818 HydrophobicContact CG-CG 4.01Å; Y696-N822 WeakPolarHBondContact CB-OD1 3.41Å; Y696-N822 WeakPolarHBondContact CD1-OD1 3.39Å; Y696-N822 PolarHBondContact O-OD1 3.26Å; Y696-N822 VanDerWaalsContact O-OD1 3.05Å |
| 697 | F | 85.1 | Confident | 84.4 | Confident | 39 Ų | 39 | 48 Ų | 48 | 17% | 0.171 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.3 | -41 | 173.2 | -173 | -87.6 | 0 | 0 | 0 | 112 | F693 L695 V701 A821 L824 L828 | F693-F697 VanDerWaalsContact O-CB 3.32Å; F693-F697 WeakPolarHBondContact O-CB 3.47Å; F693-F697 PolarHBondContact O-N 2.86Å; L695-F697 VanDerWaalsContact C-N 3.3Å; L695-F697 PolarHBondContact O-N 3.46Å; F697-V701 WeakPolarHBondContact O-CG2 3.29Å; F697-A821 HydrophobicContact CB-CB 4.21Å; F697-L824 HydrophobicContact CD2-CB 4.45Å; F697-L824 HydrophobicContact CE2-CB 4.06Å; F697-L828 HydrophobicContact CE2-CD1 3.86Å; F697-L828 HydrophobicContact CZ-CD1 3.74Å |
| 698 | W | 85.1 | Confident | 83.9 | Confident | 137 Ų | 137 | 44.7 Ų | 44.7 | 52% | 0.519 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -95.4 | -18 | 179.6 | -76.2 | 109.9 | 0 | 0 | 0 | 114.2 | L694 L695 Y696 V701 T702 I829 | L694-W698 PolarHBondContact O-N 3.06Å; L695-W698 PolarHBondContact O-N 2.86Å; Y696-W698 VanDerWaalsContact C-N 3.28Å; Y696-W698 PolarHBondContact O-N 3.35Å; W698-V701 HydrophobicContact CE3-CB 4.26Å; W698-V701 HydrophobicContact CE3-CG1 4.07Å; W698-V701 HydrophobicContact CZ3-CG1 4.11Å; W698-V701 WeakPolarHBondContact O-CB 3.37Å; W698-V701 PolarHBondContact O-N 3.22Å; W698-T702 WeakPolarHBondContact O-CB 3.46Å; W698-T702 PolarHBondContact O-N 2.92Å; W698-T702 PolarHBondContact O-OG1 2.97Å; W698-I829 HydrophobicContact CE3-CD1 3.94Å; W698-I829 HydrophobicContact CH2-CD1 3.77Å; W698-I829 HydrophobicContact CZ3-CD1 3.31Å; W698-I829 HydrophobicContact CZ3-CG1 4.5Å |
| 699 | Y | 83.3 | Confident | 83.6 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 4% | 0.039 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -55.6 | -172.5 | -172.7 | -98.6 | 0 | 0 | 0 | 112.4 | L695 Y696 V701 T702 Y703 F783 L787 | L695-Y699 VanDerWaalsContact O-CB 3.23Å; L695-Y699 WeakPolarHBondContact O-CB 3.25Å; L695-Y699 PolarHBondContact O-N 3.44Å; Y696-Y699 PolarHBondContact O-N 3.39Å; Y699-V701 VanDerWaalsContact C-N 3.28Å; Y699-V701 PolarHBondContact O-N 3.42Å; Y699-T702 PolarHBondContact O-N 3.32Å; Y699-Y703 PolarHBondContact O-N 3.48Å; Y699-F783 HydrophobicContact CD2-CE1 4.21Å; Y699-F783 HydrophobicContact CD2-CE2 4.18Å; Y699-F783 AromaticContact CD2-CZ 3.54Å; Y699-F783 HydrophobicContact CD2-CZ 3.54Å; Y699-F783 HydrophobicContact CE2-CD1 4.34Å; Y699-F783 AromaticContact CE2-CE1 3.42Å; Y699-F783 HydrophobicContact CE2-CE1 3.42Å; Y699-F783 VanDerWaalsContact CE2-CE1 3.42Å; Y699-F783 AromaticContact CE2-CE2 3.96Å; Y699-F783 HydrophobicContact CE2-CE2 3.96Å; Y699-F783 AromaticContact CE2-CZ 3.18Å; Y699-F783 HydrophobicContact CE2-CZ 3.18Å; Y699-F783 HydrophobicContact CG-CZ 4.43Å; Y699-F783 AromaticContact CZ-CE1 3.69Å; Y699-F783 AromaticContact CZ-CZ 3.88Å; Y699-F783 WeakPolarHBondContact OH-CE1 3.26Å; Y699-L787 HydrophobicContact CD1-CD1 4.08Å; Y699-L787 HydrophobicContact CD2-CD1 4.09Å; Y699-L787 HydrophobicContact CE1-CD1 3.5Å; Y699-L787 HydrophobicContact CE1-CD2 3.78Å; Y699-L787 HydrophobicContact CE1-CG 4.07Å; Y699-L787 HydrophobicContact CE2-CB 3.62Å; Y699-L787 HydrophobicContact CE2-CD1 3.54Å; Y699-L787 HydrophobicContact CE2-CD2 4.3Å; Y699-L787 HydrophobicContact CE2-CG 3.93Å; Y699-L787 HydrophobicContact CG-CD1 4.38Å; Y699-L787 VanDerWaalsContact CZ-CG 3.49Å; Y699-L787 VanDerWaalsContact OH-CB 3.26Å; Y699-L787 WeakPolarHBondContact OH-CB 3.37Å; Y699-L787 WeakPolarHBondContact OH-CD2 3.2Å; Y699-L787 VanDerWaalsContact OH-CG 3.29Å; Y699-L787 WeakPolarHBondContact OH-CG 3.4Å |
| 700 | N | 73.5 | Confident | 83.4 | Confident | 34 Ų | 34 | 46 Ų | 46 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.8 | -34.3 | -179.6 | -84.2 | -66.6 | 0 | 0 | 0 | 113.1 | Y703 F704 N822 P826 | N700-Y703 WeakPolarHBondContact O-CB 3.49Å; N700-Y703 PolarHBondContact O-N 3.15Å; N700-F704 WeakPolarHBondContact O-CB 3.35Å; N700-F704 PolarHBondContact O-N 3.31Å; N700-N822 PolarHBondContact ND2-OD1 3.46Å; N700-P826 HydrophobicContact CB-CG 4.46Å |
| 701 | V | 77.8 | Confident | 83.1 | Confident | 10 Ų | 10 | 46.1 Ų | 46.1 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.4 | -51.3 | 177.3 | 177.1 | 0 | 0 | 0 | 0 | 109.2 | F697 W698 Y699 Y703 F704 F705 I829 | F697-V701 WeakPolarHBondContact O-CG2 3.29Å; W698-V701 HydrophobicContact CE3-CB 4.26Å; W698-V701 HydrophobicContact CE3-CG1 4.07Å; W698-V701 HydrophobicContact CZ3-CG1 4.11Å; W698-V701 WeakPolarHBondContact O-CB 3.37Å; W698-V701 PolarHBondContact O-N 3.22Å; Y699-V701 VanDerWaalsContact C-N 3.28Å; Y699-V701 PolarHBondContact O-N 3.42Å; V701-Y703 VanDerWaalsContact C-N 3.29Å; V701-Y703 PolarHBondContact O-N 2.83Å; V701-F704 PolarHBondContact O-N 2.67Å; V701-F705 HydrophobicContact CG1-CD2 3.59Å; V701-F705 HydrophobicContact CG1-CE2 3.81Å; V701-F705 VanDerWaalsContact O-CD2 3.25Å; V701-F705 WeakPolarHBondContact O-CD2 3.48Å; V701-F705 PolarHBondContact O-N 3.12Å; V701-I829 HydrophobicContact CB-CD1 3.94Å; V701-I829 HydrophobicContact CG1-CD1 3.34Å; V701-I829 HydrophobicContact CG1-CG2 4.21Å; V701-I829 HydrophobicContact CG2-CD1 3.41Å; V701-I829 VanDerWaalsContact CG2-CD1 3.41Å |
| 702 | T | 81.2 | Confident | 82.9 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 9% | 0.092 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -40.7 | -178.6 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | W698 Y699 M706 T764 M767 Y779 F783 | W698-T702 WeakPolarHBondContact O-CB 3.46Å; W698-T702 PolarHBondContact O-N 2.92Å; W698-T702 PolarHBondContact O-OG1 2.97Å; Y699-T702 PolarHBondContact O-N 3.32Å; T702-M706 WeakPolarHBondContact O-CB 3.28Å; T702-M706 PolarHBondContact O-N 3.5Å; T702-T764 HydrophobicContact CG2-CG2 3.98Å; T702-M767 HydrophobicContact CG2-CE 3.74Å; T702-Y779 WeakPolarHBondContact CG2-OH 3.27Å; T702-F783 HydrophobicContact CG2-CD2 4.05Å; T702-F783 HydrophobicContact CG2-CE1 4.27Å; T702-F783 HydrophobicContact CG2-CE2 3.46Å; T702-F783 VanDerWaalsContact CG2-CE2 3.46Å; T702-F783 HydrophobicContact CG2-CZ 3.6Å |
| 703 | Y | 76.2 | Confident | 82.8 | Confident | 75 Ų | 75 | 53.9 Ų | 53.9 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.7 | -52.9 | 172.7 | -176 | -84.7 | 0 | 0 | 0 | 112.1 | Y699 N700 V701 F724 L727 | Y699-Y703 PolarHBondContact O-N 3.48Å; N700-Y703 WeakPolarHBondContact O-CB 3.49Å; N700-Y703 PolarHBondContact O-N 3.15Å; V701-Y703 VanDerWaalsContact C-N 3.29Å; V701-Y703 PolarHBondContact O-N 2.83Å; Y703-F724 AromaticContact CD1-CE1 3.97Å; Y703-F724 HydrophobicContact CD1-CE1 3.97Å; Y703-F724 AromaticContact CE1-CD1 3.91Å; Y703-F724 HydrophobicContact CE1-CD1 3.91Å; Y703-F724 AromaticContact CE1-CE1 3.64Å; Y703-F724 HydrophobicContact CE1-CE1 3.64Å; Y703-F724 HydrophobicContact CE2-CD1 4.05Å; Y703-F724 HydrophobicContact CE2-CE1 4.35Å; Y703-F724 HydrophobicContact CG-CE1 4.43Å; Y703-F724 AromaticContact CZ-CD1 3.6Å; Y703-F724 AromaticContact CZ-CE1 3.84Å; Y703-F724 WeakPolarHBondContact O-CE1 3.47Å; Y703-L727 HydrophobicContact CD2-CD2 3.36Å; Y703-L727 HydrophobicContact CE2-CD2 3.3Å; Y703-L727 HydrophobicContact CE2-CG 4.46Å; Y703-L727 HydrophobicContact CG-CD2 4.48Å |
| 704 | F | 70.7 | Confident | 82.5 | Confident | 121 Ų | 121 | 54 Ų | 54 | 53% | 0.531 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.7 | -47 | -174.8 | -172.5 | -96.4 | 0 | 0 | 0 | 113.1 | N700 V701 M706 V708 | N700-F704 WeakPolarHBondContact O-CB 3.35Å; N700-F704 PolarHBondContact O-N 3.31Å; V701-F704 PolarHBondContact O-N 2.67Å; F704-M706 PolarHBondContact O-N 3.08Å; F704-V708 HydrophobicContact CE1-CG2 4.46Å |
| 705 | F | 78.3 | Confident | 82.3 | Confident | 61 Ų | 61 | 50.9 Ų | 50.9 | 27% | 0.268 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -73 | -15.1 | -175.9 | -77.1 | -75.3 | 0 | 0 | 0 | 113.7 | V701 V708 R709 I829 | V701-F705 HydrophobicContact CG1-CD2 3.59Å; V701-F705 HydrophobicContact CG1-CE2 3.81Å; V701-F705 VanDerWaalsContact O-CD2 3.25Å; V701-F705 WeakPolarHBondContact O-CD2 3.48Å; V701-F705 PolarHBondContact O-N 3.12Å; F705-V708 PolarHBondContact O-N 3.21Å; F705-R709 VanDerWaalsContact O-CB 3.27Å; F705-R709 WeakPolarHBondContact O-CB 3.46Å; F705-R709 PolarHBondContact O-N 3.5Å; F705-I829 HydrophobicContact CE2-CB 4.49Å; F705-I829 HydrophobicContact CE2-CG2 3.61Å; F705-I829 HydrophobicContact CZ-CG2 3.87Å |
| 706 | M | 82.7 | Confident | 82.3 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.015 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 175.3 | -175.9 | -178.8 | 71 | 0 | 0 | 111.9 | T702 F704 R709 A710 L723 F724 L727 Y779 S780 | T702-M706 WeakPolarHBondContact O-CB 3.28Å; T702-M706 PolarHBondContact O-N 3.5Å; F704-M706 PolarHBondContact O-N 3.08Å; M706-R709 PolarHBondContact O-N 3.14Å; M706-A710 PolarHBondContact O-N 3.11Å; M706-A710 VanDerWaalsContact O-N 3.08Å; M706-L723 HydrophobicContact CE-CB 4.01Å; M706-F724 HydrophobicContact CE-CD1 3.83Å; M706-F724 HydrophobicContact CE-CE1 3.85Å; M706-F724 HydrophobicContact CE-CG 4.32Å; M706-F724 HydrophobicContact CE-CZ 4.36Å; M706-L727 HydrophobicContact CE-CD2 4.06Å; M706-Y779 HydrophobicContact CG-CE1 4.3Å; M706-Y779 HydrophobicContact SD-CD1 4.21Å; M706-Y779 HydrophobicContact SD-CE1 3.95Å; M706-S780 PolarHBondContact SD-OG 2.98Å |
| 707 | G | 76.9 | Confident | 82.1 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 6% | 0.062 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.9 | -45.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | R709 A710 I711 | G707-R709 VanDerWaalsContact C-N 3.31Å; G707-R709 PolarHBondContact O-N 2.95Å; G707-A710 WeakPolarHBondContact O-CB 3.49Å; G707-A710 PolarHBondContact O-N 2.89Å; G707-A710 VanDerWaalsContact O-N 3.13Å; G707-I711 WeakPolarHBondContact O-CG1 3.29Å; G707-I711 PolarHBondContact O-N 3.22Å; G707-I711 VanDerWaalsContact O-N 3.13Å |
| 708 | V | 82.3 | Confident | 82.2 | Confident | 58 Ų | 58 | 61 Ų | 61 | 35% | 0.352 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 177.1 | -179.5 | 0 | 0 | 0 | 0 | 111 | F704 F705 A710 I711 N712 | F704-V708 HydrophobicContact CE1-CG2 4.46Å; F705-V708 PolarHBondContact O-N 3.21Å; V708-A710 VanDerWaalsContact C-N 3.33Å; V708-A710 PolarHBondContact O-N 2.92Å; V708-I711 PolarHBondContact O-N 3.17Å; V708-N712 WeakPolarHBondContact O-CB 3.48Å; V708-N712 VanDerWaalsContact O-CG 3.29Å; V708-N712 PolarHBondContact O-N 3.42Å |
| 709 | R | 84.3 | Confident | 82.3 | Confident | 49 Ų | 49 | 57 Ų | 57 | 19% | 0.185 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 175.5 | -178 | -174 | 179.4 | 109 | 15.2 | 111.8 | F705 M706 G707 I711 N712 Y713 M767 P768 L770 M776 | F705-R709 VanDerWaalsContact O-CB 3.27Å; F705-R709 WeakPolarHBondContact O-CB 3.46Å; F705-R709 PolarHBondContact O-N 3.5Å; M706-R709 PolarHBondContact O-N 3.14Å; G707-R709 VanDerWaalsContact C-N 3.31Å; G707-R709 PolarHBondContact O-N 2.95Å; R709-I711 VanDerWaalsContact C-N 3.31Å; R709-I711 PolarHBondContact O-N 3.36Å; R709-N712 PolarHBondContact O-N 3.26Å; R709-Y713 HydrophobicContact CG-CD2 4.06Å; R709-Y713 HydrophobicContact CG-CE2 4.16Å; R709-Y713 WeakPolarHBondContact O-CD2 3.2Å; R709-Y713 PolarHBondContact O-N 3.08Å; R709-M767 PolarHBondContact NE-O 3.29Å; R709-M767 PolarHBondContact NH1-O 3.48Å; R709-M767 VanDerWaalsContact NH1-O 3.14Å; R709-M767 PolarHBondContact NH2-O 3.16Å; R709-P768 VanDerWaalsContact NH1-CA 3.31Å; R709-P768 VanDerWaalsContact NH2-CA 3.34Å; R709-P768 PolarHBondContact NH2-O 3.2Å; R709-L770 PolarHBondContact NH2-O 3.2Å; R709-L770 VanDerWaalsContact NH2-O 3.1Å; R709-M776 HydrophobicContact CG-CE 4.14Å |
| 710 | A | 85.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.9 | -46.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | M706 G707 V708 N712 Y713 L715 A720 L723 M776 | M706-A710 PolarHBondContact O-N 3.11Å; M706-A710 VanDerWaalsContact O-N 3.08Å; G707-A710 WeakPolarHBondContact O-CB 3.49Å; G707-A710 PolarHBondContact O-N 2.89Å; G707-A710 VanDerWaalsContact O-N 3.13Å; V708-A710 VanDerWaalsContact C-N 3.33Å; V708-A710 PolarHBondContact O-N 2.92Å; A710-N712 PolarHBondContact O-N 3.36Å; A710-Y713 PolarHBondContact O-N 3.27Å; A710-L715 HydrophobicContact CB-CB 4.42Å; A710-L715 HydrophobicContact CB-CD1 3.81Å; A710-L715 VanDerWaalsContact O-CB 3.25Å; A710-L715 WeakPolarHBondContact O-CB 3.31Å; A710-L715 PolarHBondContact O-N 3.04Å; A710-L715 VanDerWaalsContact O-N 3.16Å; A710-A720 HydrophobicContact CB-CB 3.89Å; A710-L723 HydrophobicContact CB-CD1 3.68Å; A710-M776 HydrophobicContact CB-SD 3.97Å |
| 711 | I | 85.7 | Confident | 82.8 | Confident | 81 Ų | 81 | 57.6 Ų | 57.6 | 42% | 0.415 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 177.3 | -62.5 | 168.1 | 0 | 0 | 0 | 111.1 | G707 V708 R709 Y713 G714 E717 A720 | G707-I711 WeakPolarHBondContact O-CG1 3.29Å; G707-I711 PolarHBondContact O-N 3.22Å; G707-I711 VanDerWaalsContact O-N 3.13Å; V708-I711 PolarHBondContact O-N 3.17Å; R709-I711 VanDerWaalsContact C-N 3.31Å; R709-I711 PolarHBondContact O-N 3.36Å; I711-Y713 PolarHBondContact O-N 3.03Å; I711-G714 PolarHBondContact O-N 3.5Å; I711-E717 HydrophobicContact CD1-CG 4.42Å; I711-A720 HydrophobicContact CD1-CB 4.46Å; I711-A720 HydrophobicContact CG1-CB 3.98Å |
| 712 | N | 85.3 | Confident | 83.2 | Confident | 98 Ų | 98 | 61.3 Ų | 61.3 | 52% | 0.524 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.7 | -25 | 180 | -75.6 | -15.9 | 0 | 0 | 0 | 114.3 | V708 R709 A710 G714 | V708-N712 WeakPolarHBondContact O-CB 3.48Å; V708-N712 VanDerWaalsContact O-CG 3.29Å; V708-N712 PolarHBondContact O-N 3.42Å; R709-N712 PolarHBondContact O-N 3.26Å; A710-N712 PolarHBondContact O-N 3.36Å; N712-G714 VanDerWaalsContact C-N 3.28Å |
| 713 | Y | 86.4 | Confident | 83.6 | Confident | 120 Ų | 120 | 60.6 Ų | 60.6 | 47% | 0.471 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 7.7 | 173.5 | -85.1 | -85 | 0 | 0 | 0 | 113.2 | R709 A710 I711 T771 M776 | R709-Y713 HydrophobicContact CG-CD2 4.06Å; R709-Y713 HydrophobicContact CG-CE2 4.16Å; R709-Y713 WeakPolarHBondContact O-CD2 3.2Å; R709-Y713 PolarHBondContact O-N 3.08Å; A710-Y713 PolarHBondContact O-N 3.27Å; I711-Y713 PolarHBondContact O-N 3.03Å; Y713-T771 HydrophobicContact CD1-CG2 4.1Å; Y713-T771 HydrophobicContact CE1-CG2 3.55Å; Y713-M776 HydrophobicContact CD2-CE 4.03Å; Y713-M776 HydrophobicContact CG-CE 4.34Å |
| 714 | G | 85.2 | Confident | 83.9 | Confident | 70 Ų | 70 | 60 Ų | 60 | 72% | 0.722 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | 17.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | I711 N712 | I711-G714 PolarHBondContact O-N 3.5Å; N712-G714 VanDerWaalsContact C-N 3.28Å |
| 715 | L | 85.5 | Confident | 84.6 | Confident | 31 Ų | 31 | 57 Ų | 57 | 16% | 0.162 | 32% | 0.321 | C | S | . | . | trans | -73.4 | 144.1 | 169.3 | -64.2 | 165.6 | 0 | 0 | 0 | 109.6 | A710 L719 F773 M776 | A710-L715 HydrophobicContact CB-CB 4.42Å; A710-L715 HydrophobicContact CB-CD1 3.81Å; A710-L715 VanDerWaalsContact O-CB 3.25Å; A710-L715 WeakPolarHBondContact O-CB 3.31Å; A710-L715 PolarHBondContact O-N 3.04Å; A710-L715 VanDerWaalsContact O-N 3.16Å; L715-L719 HydrophobicContact CB-CB 4.28Å; L715-L719 HydrophobicContact CD2-CD1 3.93Å; L715-F773 HydrophobicContact CD1-CB 4.4Å; L715-F773 HydrophobicContact CD2-CB 3.79Å; L715-M776 HydrophobicContact CD1-CE 4.4Å; L715-M776 HydrophobicContact CD1-SD 3.64Å | ||
| 716 | S | 89.1 | Confident | 85.2 | Confident | 53 Ų | 53 | 56.3 Ų | 56.3 | 37% | 0.371 | 32% | 0.322 | S | S | . | . | trans | -62.5 | 151.9 | 173.9 | 62.6 | 0 | 0 | 0 | 0 | 110.9 | T718 L719 A720 | S716-T718 PolarHBondContact O-N 3.32Å; S716-T718 PolarHBondContact OG-OG1 3.22Å; S716-L719 WeakPolarHBondContact O-CA 3.33Å; S716-L719 WeakPolarHBondContact O-CB 3.44Å; S716-L719 PolarHBondContact O-N 3.12Å; S716-L719 WeakPolarHBondContact OG-CD1 3.37Å; S716-L719 VanDerWaalsContact OG-CG 3.28Å; S716-L719 WeakPolarHBondContact OG-CG 3.47Å; S716-L719 PolarHBondContact OG-N 3.44Å; S716-A720 PolarHBondContact O-N 3.26Å | ||
| 717 | E | 84.3 | Confident | 85.5 | Confident | 151 Ų | 151 | 56.4 Ų | 56.4 | 71% | 0.706 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -56.3 | -34.3 | 175.5 | -66.4 | 175.3 | 176.4 | 0 | 0 | 111.8 | I711 L719 A720 A721 | I711-E717 HydrophobicContact CD1-CG 4.42Å; E717-L719 PolarHBondContact O-N 2.97Å; E717-A720 PolarHBondContact O-N 3.37Å; E717-A721 WeakPolarHBondContact O-CB 3.48Å; E717-A721 PolarHBondContact O-N 2.83Å |
| 718 | T | 87 | Confident | 86 | Confident | 98 Ų | 98 | 56.7 Ų | 56.7 | 60% | 0.601 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.5 | -40.2 | 173.5 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | S716 A721 L722 | S716-T718 PolarHBondContact O-N 3.32Å; S716-T718 PolarHBondContact OG-OG1 3.22Å; T718-A721 PolarHBondContact O-N 3.19Å; T718-L722 VanDerWaalsContact O-CG 3.29Å; T718-L722 WeakPolarHBondContact O-CG 3.49Å; T718-L722 PolarHBondContact O-N 3.46Å |
| 719 | L | 87.6 | Confident | 86.4 | Confident | 53 Ų | 53 | 55 Ų | 55 | 28% | 0.277 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.7 | -38.8 | 175.3 | -72.3 | 170.1 | 0 | 0 | 0 | 110.8 | L715 S716 E717 A721 L722 L723 F773 | L715-L719 HydrophobicContact CB-CB 4.28Å; L715-L719 HydrophobicContact CD2-CD1 3.93Å; S716-L719 WeakPolarHBondContact O-CA 3.33Å; S716-L719 WeakPolarHBondContact O-CB 3.44Å; S716-L719 PolarHBondContact O-N 3.12Å; S716-L719 WeakPolarHBondContact OG-CD1 3.37Å; S716-L719 VanDerWaalsContact OG-CG 3.28Å; S716-L719 WeakPolarHBondContact OG-CG 3.47Å; S716-L719 PolarHBondContact OG-N 3.44Å; E717-L719 PolarHBondContact O-N 2.97Å; L719-A721 VanDerWaalsContact C-N 3.33Å; L719-A721 PolarHBondContact O-N 3.1Å; L719-L722 HydrophobicContact CD2-CD1 4.17Å; L719-L722 PolarHBondContact O-N 3.28Å; L719-L723 PolarHBondContact O-N 3.12Å; L719-F773 HydrophobicContact CB-CD2 3.94Å; L719-F773 HydrophobicContact CB-CE2 4.05Å; L719-F773 HydrophobicContact CD2-CD1 4.33Å; L719-F773 HydrophobicContact CD2-CD2 3.95Å; L719-F773 HydrophobicContact CD2-CE1 4.26Å; L719-F773 HydrophobicContact CD2-CE2 3.87Å; L719-F773 HydrophobicContact CD2-CG 4.18Å; L719-F773 HydrophobicContact CD2-CZ 4.03Å; L719-F773 HydrophobicContact CG-CD2 4.43Å; L719-F773 WeakPolarHBondContact O-CE2 3.46Å |
| 720 | A | 83.7 | Confident | 86.8 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 3% | 0.033 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | A710 I711 S716 E717 L723 F724 | A710-A720 HydrophobicContact CB-CB 3.89Å; I711-A720 HydrophobicContact CD1-CB 4.46Å; I711-A720 HydrophobicContact CG1-CB 3.98Å; S716-A720 PolarHBondContact O-N 3.26Å; E717-A720 PolarHBondContact O-N 3.37Å; A720-L723 WeakPolarHBondContact O-CB 3.41Å; A720-L723 PolarHBondContact O-N 3.44Å; A720-F724 WeakPolarHBondContact O-CD2 3.34Å |
| 721 | A | 82.8 | Confident | 87 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 44% | 0.438 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E717 T718 L719 L723 F724 S725 | E717-A721 WeakPolarHBondContact O-CB 3.48Å; E717-A721 PolarHBondContact O-N 2.83Å; T718-A721 PolarHBondContact O-N 3.19Å; L719-A721 VanDerWaalsContact C-N 3.33Å; L719-A721 PolarHBondContact O-N 3.1Å; A721-L723 PolarHBondContact O-N 3.38Å; A721-F724 WeakPolarHBondContact O-CB 3.29Å; A721-F724 PolarHBondContact O-N 3.4Å; A721-S725 PolarHBondContact O-N 2.81Å |
| 722 | L | 87.3 | Confident | 87.4 | Confident | 88 Ų | 88 | 52.7 Ų | 52.7 | 46% | 0.461 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.2 | -29.5 | 176.1 | -75.8 | 169.8 | 0 | 0 | 0 | 113 | T718 L719 F724 S725 V726 F773 | T718-L722 VanDerWaalsContact O-CG 3.29Å; T718-L722 WeakPolarHBondContact O-CG 3.49Å; T718-L722 PolarHBondContact O-N 3.46Å; L719-L722 HydrophobicContact CD2-CD1 4.17Å; L719-L722 PolarHBondContact O-N 3.28Å; L722-F724 VanDerWaalsContact C-N 3.33Å; L722-F724 PolarHBondContact O-N 3.34Å; L722-S725 PolarHBondContact O-N 2.97Å; L722-V726 WeakPolarHBondContact O-CG2 3.31Å; L722-V726 PolarHBondContact O-N 3.4Å; L722-F773 HydrophobicContact CB-CE2 4.33Å; L722-F773 HydrophobicContact CB-CZ 4.18Å |
| 723 | L | 87.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 174.4 | -66.3 | 173.3 | 0 | 0 | 0 | 112.3 | M706 A710 L719 A720 A721 V726 L727 F773 M776 A777 | M706-L723 HydrophobicContact CE-CB 4.01Å; A710-L723 HydrophobicContact CB-CD1 3.68Å; L719-L723 PolarHBondContact O-N 3.12Å; A720-L723 WeakPolarHBondContact O-CB 3.41Å; A720-L723 PolarHBondContact O-N 3.44Å; A721-L723 PolarHBondContact O-N 3.38Å; L723-V726 PolarHBondContact O-N 3.11Å; L723-L727 WeakPolarHBondContact O-CB 3.32Å; L723-L727 PolarHBondContact O-N 3.48Å; L723-F773 HydrophobicContact CD2-CD2 4.01Å; L723-F773 HydrophobicContact CD2-CE2 3.7Å; L723-F773 HydrophobicContact CD2-CZ 4.43Å; L723-F773 HydrophobicContact CG-CD2 4.31Å; L723-F773 HydrophobicContact CG-CE2 3.92Å; L723-M776 HydrophobicContact CD1-CB 3.95Å; L723-M776 HydrophobicContact CD1-SD 4.24Å; L723-M776 HydrophobicContact CD2-CB 3.85Å; L723-A777 HydrophobicContact CD2-CB 3.93Å |
| 724 | F | 83.1 | Confident | 88.2 | Confident | 62 Ų | 62 | 45.9 Ų | 45.9 | 27% | 0.272 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.1 | -35.4 | 174.7 | -67.7 | -73.8 | 0 | 0 | 0 | 111.9 | Y703 M706 A720 A721 L722 L727 G728 | Y703-F724 AromaticContact CD1-CE1 3.97Å; Y703-F724 HydrophobicContact CD1-CE1 3.97Å; Y703-F724 AromaticContact CE1-CD1 3.91Å; Y703-F724 HydrophobicContact CE1-CD1 3.91Å; Y703-F724 AromaticContact CE1-CE1 3.64Å; Y703-F724 HydrophobicContact CE1-CE1 3.64Å; Y703-F724 HydrophobicContact CE2-CD1 4.05Å; Y703-F724 HydrophobicContact CE2-CE1 4.35Å; Y703-F724 HydrophobicContact CG-CE1 4.43Å; Y703-F724 AromaticContact CZ-CD1 3.6Å; Y703-F724 AromaticContact CZ-CE1 3.84Å; Y703-F724 WeakPolarHBondContact O-CE1 3.47Å; M706-F724 HydrophobicContact CE-CD1 3.83Å; M706-F724 HydrophobicContact CE-CE1 3.85Å; M706-F724 HydrophobicContact CE-CG 4.32Å; M706-F724 HydrophobicContact CE-CZ 4.36Å; A720-F724 WeakPolarHBondContact O-CD2 3.34Å; A721-F724 WeakPolarHBondContact O-CB 3.29Å; A721-F724 PolarHBondContact O-N 3.4Å; L722-F724 VanDerWaalsContact C-N 3.33Å; L722-F724 PolarHBondContact O-N 3.34Å; F724-L727 HydrophobicContact CD1-CD2 4.47Å; F724-L727 WeakPolarHBondContact O-CB 3.5Å; F724-L727 PolarHBondContact O-N 3.2Å; F724-G728 PolarHBondContact O-N 3.49Å |
| 725 | S | 86.6 | Confident | 88.6 | Confident | 58 Ų | 58 | 42.6 Ų | 42.6 | 41% | 0.406 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 172.6 | -51.6 | 0 | 0 | 0 | 0 | 112.1 | A721 L722 L727 G728 G729 | A721-S725 PolarHBondContact O-N 2.81Å; L722-S725 PolarHBondContact O-N 2.97Å; S725-L727 VanDerWaalsContact C-N 3.35Å; S725-G728 PolarHBondContact O-N 2.87Å; S725-G729 PolarHBondContact O-N 2.8Å |
| 726 | V | 90 | Very high | 89 | Confident | 47 Ų | 47 | 44.1 Ų | 44.1 | 29% | 0.285 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 174.1 | 171 | 0 | 0 | 0 | 0 | 110.6 | L722 L723 G729 A730 S781 | L722-V726 WeakPolarHBondContact O-CG2 3.31Å; L722-V726 PolarHBondContact O-N 3.4Å; L723-V726 PolarHBondContact O-N 3.11Å; V726-G729 PolarHBondContact O-N 2.92Å; V726-A730 VanDerWaalsContact O-CB 3.29Å; V726-A730 WeakPolarHBondContact O-CB 3.25Å; V726-A730 PolarHBondContact O-N 3.22Å; V726-S781 WeakPolarHBondContact CG1-OG 3.21Å |
| 727 | L | 89 | Confident | 89.3 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.7 | -49.7 | 175.9 | 177.8 | 66.4 | 0 | 0 | 0 | 112.1 | Y703 M706 L723 F724 S725 A730 N731 S780 F783 G784 | Y703-L727 HydrophobicContact CD2-CD2 3.36Å; Y703-L727 HydrophobicContact CE2-CD2 3.3Å; Y703-L727 HydrophobicContact CE2-CG 4.46Å; Y703-L727 HydrophobicContact CG-CD2 4.48Å; M706-L727 HydrophobicContact CE-CD2 4.06Å; L723-L727 WeakPolarHBondContact O-CB 3.32Å; L723-L727 PolarHBondContact O-N 3.48Å; F724-L727 HydrophobicContact CD1-CD2 4.47Å; F724-L727 WeakPolarHBondContact O-CB 3.5Å; F724-L727 PolarHBondContact O-N 3.2Å; S725-L727 VanDerWaalsContact C-N 3.35Å; L727-A730 PolarHBondContact O-N 3.33Å; L727-N731 WeakPolarHBondContact O-CB 3.12Å; L727-N731 PolarHBondContact O-N 3.27Å; L727-S780 WeakPolarHBondContact CD1-O 3.45Å; L727-F783 HydrophobicContact CD1-CB 4.35Å; L727-F783 HydrophobicContact CD1-CD1 3.67Å; L727-F783 HydrophobicContact CD1-CG 4.49Å; L727-F783 HydrophobicContact CD2-CD1 4.5Å; L727-G784 VanDerWaalsContact CD1-N 3.28Å |
| 728 | G | 87.2 | Confident | 89.8 | Confident | 13 Ų | 13 | 38.3 Ų | 38.3 | 13% | 0.134 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.4 | -40.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F724 S725 N731 M732 | F724-G728 PolarHBondContact O-N 3.49Å; S725-G728 PolarHBondContact O-N 2.87Å; G728-N731 PolarHBondContact O-N 2.93Å; G728-M732 PolarHBondContact O-N 3.45Å |
| 729 | G | 90.4 | Very high | 90.1 | Very high | 21 Ų | 21 | 33.7 Ų | 33.7 | 22% | 0.216 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S725 V726 M732 V733 | S725-G729 PolarHBondContact O-N 2.8Å; V726-G729 PolarHBondContact O-N 2.92Å; G729-M732 PolarHBondContact O-N 3.45Å; G729-V733 WeakPolarHBondContact O-CG2 3.33Å; G729-V733 PolarHBondContact O-N 3.13Å; G729-V733 VanDerWaalsContact O-N 3.11Å |
| 730 | A | 93 | Very high | 90.3 | Very high | 15 Ų | 15 | 37 Ų | 37 | 12% | 0.124 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.2 | -35.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V726 L727 G734 S781 M785 | V726-A730 VanDerWaalsContact O-CB 3.29Å; V726-A730 WeakPolarHBondContact O-CB 3.25Å; V726-A730 PolarHBondContact O-N 3.22Å; L727-A730 PolarHBondContact O-N 3.33Å; A730-G734 WeakPolarHBondContact O-CA 3.44Å; A730-G734 PolarHBondContact O-N 3.5Å; A730-S781 WeakPolarHBondContact CB-O 3.15Å; A730-M785 HydrophobicContact CB-CG 4.47Å |
| 731 | N | 91.5 | Very high | 90.8 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 6% | 0.064 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.5 | -51.3 | 173.7 | -169.9 | 61.9 | 0 | 0 | 0 | 111 | L727 G728 V733 G734 E735 G784 L787 A788 | L727-N731 WeakPolarHBondContact O-CB 3.12Å; L727-N731 PolarHBondContact O-N 3.27Å; G728-N731 PolarHBondContact O-N 2.93Å; N731-V733 PolarHBondContact O-N 3.39Å; N731-G734 CarbonylContact O-C 3.2Å; N731-G734 WeakPolarHBondContact O-CA 3.18Å; N731-G734 PolarHBondContact O-N 2.92Å; N731-G734 VanDerWaalsContact O-N 3.1Å; N731-E735 PolarHBondContact ND2-OE1 3.05Å; N731-E735 WeakPolarHBondContact O-CG 3.23Å; N731-E735 PolarHBondContact O-N 3.49Å; N731-G784 PolarHBondContact OD1-O 3.39Å; N731-L787 WeakPolarHBondContact OD1-CD2 3.34Å; N731-L787 WeakPolarHBondContact OD1-CG 3.26Å; N731-A788 VanDerWaalsContact O-CB 3.28Å; N731-A788 WeakPolarHBondContact O-CB 3.36Å; N731-A788 VanDerWaalsContact OD1-CA 3.28Å; N731-A788 WeakPolarHBondContact OD1-CA 3.44Å; N731-A788 WeakPolarHBondContact OD1-CB 3.43Å; N731-A788 PolarHBondContact OD1-N 3.01Å; N731-A788 VanDerWaalsContact OD1-N 3.08Å |
| 732 | M | 92.2 | Very high | 91.3 | Very high | 55 Ų | 55 | 37.4 Ų | 37.4 | 27% | 0.271 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55.6 | -48.5 | 177.5 | -179 | -172.5 | 68.1 | 0 | 0 | 112.5 | A279 V283 G728 G729 G734 E735 V736 | A279-M732 HydrophobicContact CB-CG 4.5Å; V283-M732 HydrophobicContact CG2-CG 4.24Å; V283-M732 HydrophobicContact CG2-SD 3.36Å; V283-M732 WeakPolarHBondContact CG2-SD 3.15Å; G728-M732 PolarHBondContact O-N 3.45Å; G729-M732 PolarHBondContact O-N 3.45Å; M732-G734 VanDerWaalsContact C-N 3.33Å; M732-E735 PolarHBondContact O-N 2.98Å; M732-V736 PolarHBondContact O-N 3.35Å |
| 733 | V | 94.8 | Very high | 91.5 | Very high | 73 Ų | 73 | 35.4 Ų | 35.4 | 44% | 0.442 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.7 | -39.9 | 178.4 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | G729 N731 E735 L737 | G729-V733 WeakPolarHBondContact O-CG2 3.33Å; G729-V733 PolarHBondContact O-N 3.13Å; G729-V733 VanDerWaalsContact O-N 3.11Å; N731-V733 PolarHBondContact O-N 3.39Å; V733-E735 VanDerWaalsContact C-N 3.33Å; V733-E735 PolarHBondContact O-N 3.21Å; V733-L737 HydrophobicContact CG1-CD1 3.6Å; V733-L737 HydrophobicContact CG1-CG 4.09Å; V733-L737 WeakPolarHBondContact O-CB 3.38Å; V733-L737 VanDerWaalsContact O-CG 3.24Å; V733-L737 WeakPolarHBondContact O-CG 3.3Å; V733-L737 PolarHBondContact O-N 2.84Å |
| 734 | G | 94.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.8 | -41 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A730 N731 M732 L737 A738 A788 | A730-G734 WeakPolarHBondContact O-CA 3.44Å; A730-G734 PolarHBondContact O-N 3.5Å; N731-G734 CarbonylContact O-C 3.2Å; N731-G734 WeakPolarHBondContact O-CA 3.18Å; N731-G734 PolarHBondContact O-N 2.92Å; N731-G734 VanDerWaalsContact O-N 3.1Å; M732-G734 VanDerWaalsContact C-N 3.33Å; G734-L737 PolarHBondContact O-N 3.32Å; G734-A738 WeakPolarHBondContact O-CB 3.25Å; G734-A738 PolarHBondContact O-N 3.16Å; G734-A788 VanDerWaalsContact C-CB 3.42Å |
| 735 | E | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.1 | -42.3 | -174.9 | -74.6 | 167 | 170.9 | 0 | 0 | 110.6 | G275 I278 A279 T281 N731 M732 V733 G739 A788 | G275-E735 WeakPolarHBondContact CA-O 3.47Å; I278-E735 HydrophobicContact CG2-CG 4.45Å; I278-E735 WeakPolarHBondContact CG2-OE1 3.25Å; I278-E735 VanDerWaalsContact O-OE2 3.1Å; A279-E735 WeakPolarHBondContact CA-OE2 3.39Å; A279-E735 PolarHBondContact N-OE2 3.23Å; T281-E735 PolarHBondContact OG1-OE1 2.98Å; N731-E735 PolarHBondContact ND2-OE1 3.05Å; N731-E735 WeakPolarHBondContact O-CG 3.23Å; N731-E735 PolarHBondContact O-N 3.49Å; M732-E735 PolarHBondContact O-N 2.98Å; V733-E735 VanDerWaalsContact C-N 3.33Å; V733-E735 PolarHBondContact O-N 3.21Å; E735-G739 PolarHBondContact O-N 3.1Å; E735-A788 HydrophobicContact CB-CB 4.38Å; E735-A788 HydrophobicContact CG-CB 3.6Å |
| 736 | V | 94.7 | Very high | 91.9 | Very high | 64 Ų | 64 | 48.6 Ų | 48.6 | 39% | 0.388 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.1 | -44.2 | 175.6 | -178.8 | 0 | 0 | 0 | 0 | 111 | L276 A279 M732 F740 | L276-V736 HydrophobicContact CD1-CG2 4.44Å; A279-V736 HydrophobicContact CB-CG2 3.8Å; M732-V736 PolarHBondContact O-N 3.35Å; V736-F740 WeakPolarHBondContact O-CB 3.44Å; V736-F740 PolarHBondContact O-N 3.14Å |
| 737 | L | 94.8 | Very high | 91.9 | Very high | 79 Ų | 79 | 48.9 Ų | 48.9 | 41% | 0.414 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.1 | -45.1 | 179.9 | -73 | 178.9 | 0 | 0 | 0 | 112.4 | V733 G734 F740 L741 | V733-L737 HydrophobicContact CG1-CD1 3.6Å; V733-L737 HydrophobicContact CG1-CG 4.09Å; V733-L737 WeakPolarHBondContact O-CB 3.38Å; V733-L737 VanDerWaalsContact O-CG 3.24Å; V733-L737 WeakPolarHBondContact O-CG 3.3Å; V733-L737 PolarHBondContact O-N 2.84Å; G734-L737 PolarHBondContact O-N 3.32Å; L737-F740 PolarHBondContact O-N 3.46Å; L737-L741 WeakPolarHBondContact O-CB 3.25Å; L737-L741 VanDerWaalsContact O-CG 3.25Å; L737-L741 WeakPolarHBondContact O-CG 2.97Å; L737-L741 PolarHBondContact O-N 3.16Å |
| 738 | A | 94.4 | Very high | 92 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | G734 F740 L741 A742 A789 | G734-A738 WeakPolarHBondContact O-CB 3.25Å; G734-A738 PolarHBondContact O-N 3.16Å; A738-F740 PolarHBondContact O-N 3.43Å; A738-L741 PolarHBondContact O-N 3.13Å; A738-A742 VanDerWaalsContact O-CB 3.31Å; A738-A742 WeakPolarHBondContact O-CB 3.39Å; A738-A742 PolarHBondContact O-N 2.86Å; A738-A789 HydrophobicContact CB-CB 4.34Å |
| 739 | G | 92.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A271 T272 E735 A742 D743 | A271-G739 CarbonylContact C-O 3.57Å; A271-G739 WeakPolarHBondContact CB-O 3.05Å; A271-G739 VanDerWaalsContact O-CA 3.23Å; A271-G739 WeakPolarHBondContact O-CA 3.18Å; T272-G739 WeakPolarHBondContact CG2-O 3.27Å; T272-G739 PolarHBondContact N-O 3.18Å; E735-G739 PolarHBondContact O-N 3.1Å; G739-A742 PolarHBondContact O-N 3.4Å; G739-D743 PolarHBondContact O-N 3.27Å |
| 740 | F | 93.4 | Very high | 92.3 | Very high | 124 Ų | 124 | 55 Ų | 55 | 54% | 0.544 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 178.1 | -174.5 | -97.6 | 0 | 0 | 0 | 114.2 | T272 V736 L737 A738 | T272-F740 VanDerWaalsContact CG2-CA 3.41Å; T272-F740 HydrophobicContact CG2-CB 4.07Å; T272-F740 HydrophobicContact CG2-CD2 4.04Å; V736-F740 WeakPolarHBondContact O-CB 3.44Å; V736-F740 PolarHBondContact O-N 3.14Å; L737-F740 PolarHBondContact O-N 3.46Å; A738-F740 PolarHBondContact O-N 3.43Å |
| 741 | L | 94.4 | Very high | 92.3 | Very high | 56 Ų | 56 | 57.4 Ų | 57.4 | 29% | 0.293 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.8 | -35.8 | 178 | -72.4 | 173.5 | 0 | 0 | 0 | 111.9 | L737 A738 R744 V747 L752 M756 | L737-L741 WeakPolarHBondContact O-CB 3.25Å; L737-L741 VanDerWaalsContact O-CG 3.25Å; L737-L741 WeakPolarHBondContact O-CG 2.97Å; L737-L741 PolarHBondContact O-N 3.16Å; A738-L741 PolarHBondContact O-N 3.13Å; L741-R744 WeakPolarHBondContact O-CB 3.47Å; L741-R744 PolarHBondContact O-N 2.8Å; L741-V747 WeakPolarHBondContact O-CB 3.27Å; L741-L752 HydrophobicContact CB-CD1 4.26Å; L741-L752 HydrophobicContact CB-CD2 3.65Å; L741-L752 HydrophobicContact CD1-CD1 4.27Å; L741-M756 HydrophobicContact CD1-CE 4.35Å |
| 742 | A | 92.6 | Very high | 92.4 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 7% | 0.066 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.8 | -34.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A271 A738 G739 R744 L752 L793 | A271-A742 HydrophobicContact CB-CB 3.61Å; A738-A742 VanDerWaalsContact O-CB 3.31Å; A738-A742 WeakPolarHBondContact O-CB 3.39Å; A738-A742 PolarHBondContact O-N 2.86Å; G739-A742 PolarHBondContact O-N 3.4Å; A742-R744 PolarHBondContact O-N 3.01Å; A742-L752 HydrophobicContact CB-CD2 3.99Å; A742-L793 HydrophobicContact CB-CD2 3.45Å; A742-L793 VanDerWaalsContact CB-CD2 3.45Å |
| 743 | D | 91 | Very high | 92.4 | Very high | 46 Ų | 46 | 55.8 Ų | 55.8 | 25% | 0.246 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -1.8 | 177 | -75.7 | -17 | 0 | 0 | 0 | 113.6 | R269 A271 T272 G739 | R269-D743 WeakPolarHBondContact CA-OD2 3.22Å; A271-D743 WeakPolarHBondContact CB-OD1 3.43Å; A271-D743 PolarHBondContact N-OD1 2.92Å; A271-D743 PolarHBondContact N-OD2 2.92Å; T272-D743 WeakPolarHBondContact CB-OD2 3.48Å; T272-D743 HydrophobicContact CG2-CB 4.1Å; T272-D743 WeakPolarHBondContact CG2-OD2 3.36Å; T272-D743 PolarHBondContact N-OD2 3.19Å; T272-D743 PolarHBondContact OG1-OD2 3.19Å; G739-D743 PolarHBondContact O-N 3.27Å |
| 744 | R | 91.5 | Very high | 92.4 | Very high | 160 Ų | 160 | 58 Ų | 58 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -80.2 | 131.1 | -176.6 | -175.5 | 173.7 | 178.5 | 155.6 | -1.1 | 111.8 | L741 A742 G746 V747 | L741-R744 WeakPolarHBondContact O-CB 3.47Å; L741-R744 PolarHBondContact O-N 2.8Å; A742-R744 PolarHBondContact O-N 3.01Å; R744-G746 PolarHBondContact O-N 3.15Å; R744-V747 HydrophobicContact CB-CG2 4.21Å; R744-V747 PolarHBondContact O-N 3.15Å |
| 745 | D | 86 | Confident | 92.3 | Very high | 157 Ų | 157 | 63.8 Ų | 63.8 | 84% | 0.84 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 115.3 | 172.2 | -68.3 | -44.5 | 0 | 0 | 0 | 111.7 | ||
| 746 | G | 88.2 | Confident | 92.3 | Very high | 80 Ų | 80 | 66 Ų | 66 | 83% | 0.825 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.5 | -7.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R744 | R744-G746 PolarHBondContact O-N 3.15Š|
| 747 | V | 90.3 | Very high | 92.2 | Very high | 53 Ų | 53 | 64.5 Ų | 64.5 | 32% | 0.321 | 34% | 0.338 | S | S | . | . | trans | -96 | 127.9 | 169.9 | -177 | 0 | 0 | 0 | 0 | 108.2 | L741 R744 L752 | L741-V747 WeakPolarHBondContact O-CB 3.27Å; R744-V747 HydrophobicContact CB-CG2 4.21Å; R744-V747 PolarHBondContact O-N 3.15Å; V747-L752 HydrophobicContact CG1-CB 4.02Å; V747-L752 HydrophobicContact CG1-CD2 4.39Å | ||
| 748 | D | 91.6 | Very high | 92.2 | Very high | 82 Ų | 82 | 64.8 Ų | 64.8 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | trans | -88.3 | 125.1 | 171.9 | 173.3 | 57.4 | 0 | 0 | 0 | 109.3 | L750 T751 L752 | D748-L750 PolarHBondContact O-N 3.44Å; D748-T751 PolarHBondContact O-N 2.88Å; D748-T751 VanDerWaalsContact O-N 3.12Å; D748-T751 PolarHBondContact OD2-N 3.41Å; D748-T751 VanDerWaalsContact OD2-N 3.07Å; D748-T751 PolarHBondContact OD2-OG1 3.26Å; D748-L752 PolarHBondContact O-N 3.47Å | ||
| 749 | S | 91.3 | Very high | 92.1 | Very high | 11 Ų | 11 | 67 Ų | 67 | 8% | 0.077 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -53.7 | -41.3 | -176.5 | -53.9 | 0 | 0 | 0 | 0 | 111.8 | L752 Y753 E800 | S749-L752 PolarHBondContact O-N 3.31Å; S749-Y753 WeakPolarHBondContact O-CB 3.46Å; S749-Y753 PolarHBondContact O-N 3.46Å; S749-E800 WeakPolarHBondContact CB-OE1 3.19Å; S749-E800 PolarHBondContact OG-OE1 2.87Å |
| 750 | L | 91.9 | Very high | 92.1 | Very high | 73 Ų | 73 | 67.3 Ų | 67.3 | 38% | 0.382 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.2 | -42.1 | -179.4 | -178 | 63.4 | 0 | 0 | 0 | 111.7 | D748 Y753 F754 L797 F801 | D748-L750 PolarHBondContact O-N 3.44Å; L750-Y753 PolarHBondContact O-N 2.84Å; L750-F754 WeakPolarHBondContact O-CB 3.03Å; L750-F754 PolarHBondContact O-N 3.44Å; L750-L797 HydrophobicContact CB-CD2 3.97Å; L750-L797 HydrophobicContact CD1-CD1 4.38Å; L750-L797 HydrophobicContact CD1-CD2 4.21Å; L750-F801 HydrophobicContact CD1-CZ 4.22Å |
| 751 | T | 92.8 | Very high | 92.1 | Very high | 67 Ų | 67 | 63.1 Ų | 63.1 | 41% | 0.411 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63 | -43 | 175.6 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | D748 F754 F755 | D748-T751 PolarHBondContact O-N 2.88Å; D748-T751 VanDerWaalsContact O-N 3.12Å; D748-T751 PolarHBondContact OD2-N 3.41Å; D748-T751 VanDerWaalsContact OD2-N 3.07Å; D748-T751 PolarHBondContact OD2-OG1 3.26Å; T751-F754 PolarHBondContact O-N 2.92Å; T751-F755 HydrophobicContact CG2-CD2 3.78Å; T751-F755 HydrophobicContact CG2-CE2 3.5Å; T751-F755 WeakPolarHBondContact O-CD2 3.12Å; T751-F755 PolarHBondContact O-N 3.38Å; T751-F755 VanDerWaalsContact O-N 3.13Å |
| 752 | L | 93.6 | Very high | 92.1 | Very high | 20 Ų | 20 | 64.2 Ų | 64.2 | 11% | 0.105 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.9 | -47.7 | 175.2 | -179.9 | 66.4 | 0 | 0 | 0 | 111.4 | L741 A742 V747 D748 S749 F754 F755 M756 L793 | L741-L752 HydrophobicContact CB-CD1 4.26Å; L741-L752 HydrophobicContact CB-CD2 3.65Å; L741-L752 HydrophobicContact CD1-CD1 4.27Å; A742-L752 HydrophobicContact CB-CD2 3.99Å; V747-L752 HydrophobicContact CG1-CB 4.02Å; V747-L752 HydrophobicContact CG1-CD2 4.39Å; D748-L752 PolarHBondContact O-N 3.47Å; S749-L752 PolarHBondContact O-N 3.31Å; L752-F754 VanDerWaalsContact C-N 3.35Å; L752-F754 PolarHBondContact O-N 2.87Å; L752-F755 PolarHBondContact O-N 3.37Å; L752-M756 HydrophobicContact CD1-CE 3.9Å; L752-M756 HydrophobicContact CD1-CG 4.36Å; L752-M756 WeakPolarHBondContact O-CG 3.42Å; L752-M756 PolarHBondContact O-N 3.24Å; L752-M756 VanDerWaalsContact O-N 3.12Å; L752-L793 HydrophobicContact CD2-CD1 4.08Å; L752-L793 HydrophobicContact CG-CD1 4.26Å |
| 753 | Y | 93.1 | Very high | 92 | Very high | 12 Ų | 12 | 64.6 Ų | 64.6 | 5% | 0.047 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.7 | -47.3 | 175.8 | 176.5 | -102.4 | 0 | 0 | 0 | 111.6 | F688 S749 L750 F755 M756 I757 N790 L793 L797 | F688-Y753 HydrophobicContact CE2-CE1 4.27Å; S749-Y753 WeakPolarHBondContact O-CB 3.46Å; S749-Y753 PolarHBondContact O-N 3.46Å; L750-Y753 PolarHBondContact O-N 2.84Å; Y753-F755 PolarHBondContact O-N 2.87Å; Y753-M756 PolarHBondContact O-N 3.18Å; Y753-I757 HydrophobicContact CD1-CG1 4.49Å; Y753-I757 HydrophobicContact CD2-CG1 3.98Å; Y753-I757 HydrophobicContact CE1-CG1 4.23Å; Y753-I757 HydrophobicContact CE2-CD1 4.08Å; Y753-I757 HydrophobicContact CE2-CG1 3.67Å; Y753-I757 HydrophobicContact CG-CG1 4.39Å; Y753-I757 WeakPolarHBondContact O-CB 3.48Å; Y753-I757 VanDerWaalsContact O-CG1 3.3Å; Y753-I757 WeakPolarHBondContact O-CG1 3.44Å; Y753-I757 PolarHBondContact O-N 3.38Å; Y753-N790 HydrophobicContact CE2-CB 4.05Å; Y753-N790 PolarHBondContact OH-OD1 3.08Å; Y753-L793 HydrophobicContact CD2-CB 4.37Å; Y753-L797 HydrophobicContact CD1-CD1 3.92Å; Y753-L797 HydrophobicContact CD2-CD1 4.13Å; Y753-L797 HydrophobicContact CE1-CD1 4.48Å; Y753-L797 HydrophobicContact CG-CD1 3.72Å |
| 754 | F | 93.1 | Very high | 92 | Very high | 119 Ų | 119 | 64.2 Ų | 64.2 | 52% | 0.522 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -56.9 | -50.1 | 178.7 | 173.8 | -99.5 | 0 | 0 | 0 | 112.6 | L750 T751 L752 L758 | L750-F754 WeakPolarHBondContact O-CB 3.03Å; L750-F754 PolarHBondContact O-N 3.44Å; T751-F754 PolarHBondContact O-N 2.92Å; L752-F754 VanDerWaalsContact C-N 3.35Å; L752-F754 PolarHBondContact O-N 2.87Å; F754-L758 HydrophobicContact CE1-CD2 3.95Å; F754-L758 HydrophobicContact CZ-CD2 4.06Å; F754-L758 WeakPolarHBondContact O-CB 3.16Å; F754-L758 PolarHBondContact O-N 3.34Å |
| 755 | F | 93.8 | Very high | 92 | Very high | 125 Ų | 125 | 61.6 Ų | 61.6 | 55% | 0.548 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.7 | -37.4 | -177.6 | -76.9 | -64.7 | 0 | 0 | 0 | 113.1 | T751 L752 Y753 A759 | T751-F755 HydrophobicContact CG2-CD2 3.78Å; T751-F755 HydrophobicContact CG2-CE2 3.5Å; T751-F755 WeakPolarHBondContact O-CD2 3.12Å; T751-F755 PolarHBondContact O-N 3.38Å; T751-F755 VanDerWaalsContact O-N 3.13Å; L752-F755 PolarHBondContact O-N 3.37Å; Y753-F755 PolarHBondContact O-N 2.87Å; F755-A759 WeakPolarHBondContact O-CB 3.37Å; F755-A759 PolarHBondContact O-N 3.46Å |
| 756 | M | 93.7 | Very high | 92.1 | Very high | 48 Ų | 48 | 58.4 Ų | 58.4 | 24% | 0.236 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.1 | -45 | 177.6 | -68.4 | -65.6 | -176.7 | 0 | 0 | 111.6 | L741 L752 Y753 A759 C760 A789 | L741-M756 HydrophobicContact CD1-CE 4.35Å; L752-M756 HydrophobicContact CD1-CE 3.9Å; L752-M756 HydrophobicContact CD1-CG 4.36Å; L752-M756 WeakPolarHBondContact O-CG 3.42Å; L752-M756 PolarHBondContact O-N 3.24Å; L752-M756 VanDerWaalsContact O-N 3.12Å; Y753-M756 PolarHBondContact O-N 3.18Å; M756-A759 PolarHBondContact O-N 3.31Å; M756-C760 WeakPolarHBondContact O-CB 3.27Å; M756-C760 PolarHBondContact O-N 2.95Å; M756-A789 HydrophobicContact CB-CB 3.61Å; M756-A789 HydrophobicContact CG-CB 4.02Å |
| 757 | I | 92.4 | Very high | 92 | Very high | 32 Ų | 32 | 55.7 Ų | 55.7 | 16% | 0.164 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.5 | -36.4 | 177.2 | -61.3 | -61.4 | 0 | 0 | 0 | 111.4 | L695 Y753 C760 G761 G786 N790 | L695-I757 HydrophobicContact CD1-CG2 4.35Å; L695-I757 HydrophobicContact CD2-CD1 4.18Å; Y753-I757 HydrophobicContact CD1-CG1 4.49Å; Y753-I757 HydrophobicContact CD2-CG1 3.98Å; Y753-I757 HydrophobicContact CE1-CG1 4.23Å; Y753-I757 HydrophobicContact CE2-CD1 4.08Å; Y753-I757 HydrophobicContact CE2-CG1 3.67Å; Y753-I757 HydrophobicContact CG-CG1 4.39Å; Y753-I757 WeakPolarHBondContact O-CB 3.48Å; Y753-I757 VanDerWaalsContact O-CG1 3.3Å; Y753-I757 WeakPolarHBondContact O-CG1 3.44Å; Y753-I757 PolarHBondContact O-N 3.38Å; I757-C760 WeakPolarHBondContact O-CB 3.2Å; I757-C760 PolarHBondContact O-N 3.01Å; I757-G761 PolarHBondContact O-N 3.08Å; I757-G786 VanDerWaalsContact CD1-O 3.29Å; I757-G786 WeakPolarHBondContact CD1-O 3.44Å; I757-N790 HydrophobicContact CD1-CB 4.08Å |
| 758 | L | 93.8 | Very high | 91.8 | Very high | 85 Ų | 85 | 57.1 Ų | 57.1 | 45% | 0.445 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 173.8 | -176.9 | 68 | 0 | 0 | 0 | 111.3 | F754 C760 G761 V762 | F754-L758 HydrophobicContact CE1-CD2 3.95Å; F754-L758 HydrophobicContact CZ-CD2 4.06Å; F754-L758 WeakPolarHBondContact O-CB 3.16Å; F754-L758 PolarHBondContact O-N 3.34Å; L758-C760 VanDerWaalsContact C-N 3.29Å; L758-C760 PolarHBondContact O-N 3.15Å; L758-G761 PolarHBondContact O-N 3.41Å; L758-V762 VanDerWaalsContact O-CG2 3.31Å; L758-V762 WeakPolarHBondContact O-CG2 3.2Å; L758-V762 PolarHBondContact O-N 2.79Å |
| 759 | A | 93.8 | Very high | 91.7 | Very high | 48 Ų | 48 | 59.6 Ų | 59.6 | 40% | 0.397 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.3 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F755 M756 S763 | F755-A759 WeakPolarHBondContact O-CB 3.37Å; F755-A759 PolarHBondContact O-N 3.46Å; M756-A759 PolarHBondContact O-N 3.31Å; A759-S763 WeakPolarHBondContact O-CB 3.34Å; A759-S763 PolarHBondContact O-N 2.88Å; A759-S763 PolarHBondContact O-OG 2.99Å |
| 760 | C | 92.7 | Very high | 91.4 | Very high | 7 Ų | 7 | 60.4 Ų | 60.4 | 5% | 0.047 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.6 | -43 | 173.8 | -176.9 | 0 | 0 | 0 | 0 | 112.8 | M756 I757 L758 S763 T764 F783 | M756-C760 WeakPolarHBondContact O-CB 3.27Å; M756-C760 PolarHBondContact O-N 2.95Å; I757-C760 WeakPolarHBondContact O-CB 3.2Å; I757-C760 PolarHBondContact O-N 3.01Å; L758-C760 VanDerWaalsContact C-N 3.29Å; L758-C760 PolarHBondContact O-N 3.15Å; C760-S763 PolarHBondContact O-N 3.36Å; C760-S763 PolarHBondContact O-OG 3.44Å; C760-T764 WeakPolarHBondContact O-CB 3.46Å; C760-T764 PolarHBondContact O-N 3.1Å; C760-T764 PolarHBondContact O-OG1 3.33Å; C760-F783 WeakPolarHBondContact SG-CD2 3.5Å |
| 761 | G | 92.6 | Very high | 91.1 | Very high | 36 Ų | 36 | 60.6 Ų | 60.6 | 37% | 0.371 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I757 L758 T764 C765 | I757-G761 PolarHBondContact O-N 3.08Å; L758-G761 PolarHBondContact O-N 3.41Å; G761-T764 PolarHBondContact O-N 3Å; G761-C765 PolarHBondContact O-N 3.34Å; G761-C765 PolarHBondContact O-SG 3.33Å; G761-C765 VanDerWaalsContact O-SG 3.35Å |
| 762 | V | 93.5 | Very high | 90.9 | Very high | 80 Ų | 80 | 61 Ų | 61 | 49% | 0.485 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 177.5 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | L758 T764 C765 L766 | L758-V762 VanDerWaalsContact O-CG2 3.31Å; L758-V762 WeakPolarHBondContact O-CG2 3.2Å; L758-V762 PolarHBondContact O-N 2.79Å; V762-T764 VanDerWaalsContact C-N 3.31Å; V762-T764 PolarHBondContact O-N 2.94Å; V762-C765 PolarHBondContact O-N 3.4Å; V762-L766 HydrophobicContact CG1-CD1 4.38Å; V762-L766 WeakPolarHBondContact O-CG 3.46Å; V762-L766 PolarHBondContact O-N 3.38Å; V762-L766 VanDerWaalsContact O-N 3.17Å |
| 763 | S | 91.8 | Very high | 90.8 | Very high | 16 Ų | 16 | 62.2 Ų | 62.2 | 11% | 0.112 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 176.8 | 72 | 0 | 0 | 0 | 0 | 111.8 | A759 C760 L766 M767 Y779 | A759-S763 WeakPolarHBondContact O-CB 3.34Å; A759-S763 PolarHBondContact O-N 2.88Å; A759-S763 PolarHBondContact O-OG 2.99Å; C760-S763 PolarHBondContact O-N 3.36Å; C760-S763 PolarHBondContact O-OG 3.44Å; S763-L766 WeakPolarHBondContact O-CB 3.33Å; S763-L766 PolarHBondContact O-N 2.66Å; S763-L766 VanDerWaalsContact O-N 3.14Å; S763-M767 PolarHBondContact O-N 2.81Å; S763-Y779 WeakPolarHBondContact O-CD2 3.17Å |
| 764 | T | 90.5 | Very high | 90.7 | Very high | 38 Ų | 38 | 68.4 Ų | 68.4 | 23% | 0.233 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66 | -38.9 | 176 | -53.2 | 0 | 0 | 0 | 0 | 111.8 | T702 C760 G761 V762 L766 M767 | T702-T764 HydrophobicContact CG2-CG2 3.98Å; C760-T764 WeakPolarHBondContact O-CB 3.46Å; C760-T764 PolarHBondContact O-N 3.1Å; C760-T764 PolarHBondContact O-OG1 3.33Å; G761-T764 PolarHBondContact O-N 3Å; V762-T764 VanDerWaalsContact C-N 3.31Å; V762-T764 PolarHBondContact O-N 2.94Å; T764-L766 PolarHBondContact O-N 3.19Å; T764-M767 VanDerWaalsContact O-CB 3.24Å; T764-M767 WeakPolarHBondContact O-CB 3.28Å; T764-M767 PolarHBondContact O-N 3.39Å; T764-M767 VanDerWaalsContact O-N 3.11Å |
| 765 | C | 91.4 | Very high | 90.6 | Very high | 105 Ų | 105 | 64.2 Ų | 64.2 | 71% | 0.709 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.9 | -29 | 172.4 | -69.3 | 0 | 0 | 0 | 0 | 113.2 | G761 V762 M767 P768 | G761-C765 PolarHBondContact O-N 3.34Å; G761-C765 PolarHBondContact O-SG 3.33Å; G761-C765 VanDerWaalsContact O-SG 3.35Å; V762-C765 PolarHBondContact O-N 3.4Å; C765-M767 VanDerWaalsContact C-N 3.35Å; C765-P768 WeakPolarHBondContact O-CD 3.46Å |
| 766 | L | 89.2 | Confident | 90.5 | Very high | 89 Ų | 89 | 58.5 Ų | 58.5 | 47% | 0.466 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -82.4 | -12 | 176.7 | -67.7 | 171 | 0 | 0 | 0 | 113.1 | V762 S763 T764 P768 L769 | V762-L766 HydrophobicContact CG1-CD1 4.38Å; V762-L766 WeakPolarHBondContact O-CG 3.46Å; V762-L766 PolarHBondContact O-N 3.38Å; V762-L766 VanDerWaalsContact O-N 3.17Å; S763-L766 WeakPolarHBondContact O-CB 3.33Å; S763-L766 PolarHBondContact O-N 2.66Å; S763-L766 VanDerWaalsContact O-N 3.14Å; T764-L766 PolarHBondContact O-N 3.19Å; L766-P768 VanDerWaalsContact C-CD 3.42Å; L766-P768 VanDerWaalsContact C-N 3.33Å; L766-L769 HydrophobicContact CD2-CD1 4.12Å; L766-L769 WeakPolarHBondContact O-CB 3.29Å; L766-L769 PolarHBondContact O-N 3.34Å |
| 767 | M | 86.2 | Confident | 90.4 | Very high | 24 Ų | 24 | 56.9 Ų | 56.9 | 12% | 0.118 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -50.2 | -44.5 | -178.2 | 179.8 | 137.8 | 63.5 | 0 | 0 | 113.3 | T702 R709 S763 T764 C765 L769 L770 Y779 | T702-M767 HydrophobicContact CG2-CE 3.74Å; R709-M767 PolarHBondContact NE-O 3.29Å; R709-M767 PolarHBondContact NH1-O 3.48Å; R709-M767 VanDerWaalsContact NH1-O 3.14Å; R709-M767 PolarHBondContact NH2-O 3.16Å; S763-M767 PolarHBondContact O-N 2.81Å; T764-M767 VanDerWaalsContact O-CB 3.24Å; T764-M767 WeakPolarHBondContact O-CB 3.28Å; T764-M767 PolarHBondContact O-N 3.39Å; T764-M767 VanDerWaalsContact O-N 3.11Å; C765-M767 VanDerWaalsContact C-N 3.35Å; M767-L769 PolarHBondContact O-N 3.49Å; M767-L770 HydrophobicContact CB-CD1 4.44Å; M767-L770 WeakPolarHBondContact O-CB 3.42Å; M767-L770 WeakPolarHBondContact O-CG 3.18Å; M767-L770 PolarHBondContact O-N 2.93Å; M767-Y779 HydrophobicContact CB-CE2 4.34Å; M767-Y779 HydrophobicContact CE-CE1 3.8Å; M767-Y779 HydrophobicContact CE-CE2 4.38Å; M767-Y779 WeakPolarHBondContact CE-OH 3.19Å; M767-Y779 HydrophobicContact SD-CD1 3.82Å; M767-Y779 HydrophobicContact SD-CE1 3.26Å; M767-Y779 WeakPolarHBondContact SD-CE1 3.26Å; M767-Y779 HydrophobicContact SD-CE2 4.23Å; M767-Y779 HydrophobicContact SD-CG 4.49Å |
| 768 | P | 85.9 | Confident | 90.5 | Very high | 83 Ų | 83 | 59.9 Ų | 59.9 | 54% | 0.539 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -48.2 | -29.2 | 174.6 | -30.5 | 38.4 | 0 | 0 | 0 | 116.1 | R709 C765 L766 | R709-P768 VanDerWaalsContact NH1-CA 3.31Å; R709-P768 VanDerWaalsContact NH2-CA 3.34Å; R709-P768 PolarHBondContact NH2-O 3.2Å; C765-P768 WeakPolarHBondContact O-CD 3.46Å; L766-P768 VanDerWaalsContact C-CD 3.42Å; L766-P768 VanDerWaalsContact C-N 3.33Å |
| 769 | L | 88 | Confident | 90.5 | Very high | 133 Ų | 133 | 56.2 Ų | 56.2 | 70% | 0.696 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -88.9 | -9.3 | -177.3 | -57 | 175.7 | 0 | 0 | 0 | 113.6 | L766 M767 | L766-L769 HydrophobicContact CD2-CD1 4.12Å; L766-L769 WeakPolarHBondContact O-CB 3.29Å; L766-L769 PolarHBondContact O-N 3.34Å; M767-L769 PolarHBondContact O-N 3.49Å |
| 770 | L | 85.2 | Confident | 90.4 | Very high | 28 Ų | 28 | 53.9 Ų | 53.9 | 15% | 0.147 | 32% | 0.32 | C | S | . | . | trans | -83.2 | 118.9 | -175.5 | -50 | 176.5 | 0 | 0 | 0 | 110.3 | R709 M767 M776 Y779 | R709-L770 PolarHBondContact NH2-O 3.2Å; R709-L770 VanDerWaalsContact NH2-O 3.1Å; M767-L770 HydrophobicContact CB-CD1 4.44Å; M767-L770 WeakPolarHBondContact O-CB 3.42Å; M767-L770 WeakPolarHBondContact O-CG 3.18Å; M767-L770 PolarHBondContact O-N 2.93Å; L770-M776 HydrophobicContact CB-CG 4.17Å; L770-M776 WeakPolarHBondContact O-CE 3.4Å; L770-Y779 HydrophobicContact CD1-CD1 4.35Å; L770-Y779 HydrophobicContact CD1-CD2 4.17Å; L770-Y779 HydrophobicContact CD1-CG 3.68Å | ||
| 771 | T | 85.5 | Confident | 90.4 | Very high | 78 Ų | 78 | 55.5 Ų | 55.5 | 48% | 0.479 | 33% | 0.331 | S | S | . | . | trans | -121.9 | -18.4 | -178.3 | 59.4 | 0 | 0 | 0 | 0 | 113.9 | Y713 | Y713-T771 HydrophobicContact CD1-CG2 4.1Å; Y713-T771 HydrophobicContact CE1-CG2 3.55Å | ||
| 772 | T | 89.8 | Confident | 90.5 | Very high | 75 Ų | 75 | 56 Ų | 56 | 46% | 0.46 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -105.2 | 150.9 | -178 | 66.6 | 0 | 0 | 0 | 0 | 111.3 | M774 S775 M776 | T772-M774 VanDerWaalsContact C-N 3.3Å; T772-M774 PolarHBondContact O-N 3.31Å; T772-S775 PolarHBondContact N-OG 2.9Å; T772-S775 VanDerWaalsContact N-OG 3.14Å; T772-S775 PolarHBondContact O-N 3.36Å; T772-S775 VanDerWaalsContact O-N 3.13Å; T772-S775 PolarHBondContact O-OG 3.45Å; T772-S775 VanDerWaalsContact OG1-CB 3.3Å; T772-S775 WeakPolarHBondContact OG1-CB 3.41Å; T772-S775 PolarHBondContact OG1-N 3.08Å; T772-S775 PolarHBondContact OG1-OG 3.39Å; T772-M776 WeakPolarHBondContact O-CG 3.29Å; T772-M776 PolarHBondContact O-N 3.29Å |
| 773 | F | 90.3 | Very high | 90.4 | Very high | 45 Ų | 45 | 52.5 Ų | 52.5 | 20% | 0.197 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -52.8 | -46.3 | 175.6 | 177 | -105.5 | 0 | 0 | 0 | 112.4 | L715 L719 L722 L723 S775 M776 A777 | L715-F773 HydrophobicContact CD1-CB 4.4Å; L715-F773 HydrophobicContact CD2-CB 3.79Å; L719-F773 HydrophobicContact CB-CD2 3.94Å; L719-F773 HydrophobicContact CB-CE2 4.05Å; L719-F773 HydrophobicContact CD2-CD1 4.33Å; L719-F773 HydrophobicContact CD2-CD2 3.95Å; L719-F773 HydrophobicContact CD2-CE1 4.26Å; L719-F773 HydrophobicContact CD2-CE2 3.87Å; L719-F773 HydrophobicContact CD2-CG 4.18Å; L719-F773 HydrophobicContact CD2-CZ 4.03Å; L719-F773 HydrophobicContact CG-CD2 4.43Å; L719-F773 WeakPolarHBondContact O-CE2 3.46Å; L722-F773 HydrophobicContact CB-CE2 4.33Å; L722-F773 HydrophobicContact CB-CZ 4.18Å; L723-F773 HydrophobicContact CD2-CD2 4.01Å; L723-F773 HydrophobicContact CD2-CE2 3.7Å; L723-F773 HydrophobicContact CD2-CZ 4.43Å; L723-F773 HydrophobicContact CG-CD2 4.31Å; L723-F773 HydrophobicContact CG-CE2 3.92Å; F773-S775 VanDerWaalsContact C-N 3.33Å; F773-S775 PolarHBondContact O-N 2.9Å; F773-M776 CarbonylContact O-C 3.59Å; F773-M776 PolarHBondContact O-N 3.05Å; F773-A777 WeakPolarHBondContact O-CB 3.42Å; F773-A777 PolarHBondContact O-N 3.25Å |
| 774 | M | 92.1 | Very high | 90.4 | Very high | 142 Ų | 142 | 51.8 Ų | 51.8 | 70% | 0.7 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61 | -42.5 | 179.8 | -65.7 | -60.6 | -173 | 0 | 0 | 111.9 | T772 M776 A777 V778 | T772-M774 VanDerWaalsContact C-N 3.3Å; T772-M774 PolarHBondContact O-N 3.31Å; M774-M776 VanDerWaalsContact C-N 3.34Å; M774-M776 PolarHBondContact O-N 3.48Å; M774-A777 PolarHBondContact O-N 2.97Å; M774-V778 WeakPolarHBondContact O-CG2 3.42Å; M774-V778 PolarHBondContact O-N 3.47Å |
| 775 | S | 91.6 | Very high | 90.5 | Very high | 31 Ų | 31 | 53.1 Ų | 53.1 | 22% | 0.217 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 177.1 | 68.6 | 0 | 0 | 0 | 0 | 112.4 | T772 F773 Y779 | T772-S775 PolarHBondContact N-OG 2.9Å; T772-S775 VanDerWaalsContact N-OG 3.14Å; T772-S775 PolarHBondContact O-N 3.36Å; T772-S775 VanDerWaalsContact O-N 3.13Å; T772-S775 PolarHBondContact O-OG 3.45Å; T772-S775 VanDerWaalsContact OG1-CB 3.3Å; T772-S775 WeakPolarHBondContact OG1-CB 3.41Å; T772-S775 PolarHBondContact OG1-N 3.08Å; T772-S775 PolarHBondContact OG1-OG 3.39Å; F773-S775 VanDerWaalsContact C-N 3.33Å; F773-S775 PolarHBondContact O-N 2.9Å; S775-Y779 PolarHBondContact O-N 3.01Å; S775-Y779 VanDerWaalsContact O-N 3.15Å |
| 776 | M | 90.7 | Very high | 90.5 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.1 | -39.5 | 174.3 | -67.5 | -177.1 | -177.6 | 0 | 0 | 111.6 | R709 A710 Y713 L715 L723 L770 T772 F773 M774 Y779 S780 | R709-M776 HydrophobicContact CG-CE 4.14Å; A710-M776 HydrophobicContact CB-SD 3.97Å; Y713-M776 HydrophobicContact CD2-CE 4.03Å; Y713-M776 HydrophobicContact CG-CE 4.34Å; L715-M776 HydrophobicContact CD1-CE 4.4Å; L715-M776 HydrophobicContact CD1-SD 3.64Å; L723-M776 HydrophobicContact CD1-CB 3.95Å; L723-M776 HydrophobicContact CD1-SD 4.24Å; L723-M776 HydrophobicContact CD2-CB 3.85Å; L770-M776 HydrophobicContact CB-CG 4.17Å; L770-M776 WeakPolarHBondContact O-CE 3.4Å; T772-M776 WeakPolarHBondContact O-CG 3.29Å; T772-M776 PolarHBondContact O-N 3.29Å; F773-M776 CarbonylContact O-C 3.59Å; F773-M776 PolarHBondContact O-N 3.05Å; M774-M776 VanDerWaalsContact C-N 3.34Å; M774-M776 PolarHBondContact O-N 3.48Å; M776-Y779 CarbonylContact O-C 3.56Å; M776-Y779 WeakPolarHBondContact O-CB 3.45Å; M776-Y779 PolarHBondContact O-N 2.84Å; M776-S780 PolarHBondContact O-N 3.13Å; M776-S780 PolarHBondContact O-OG 2.94Å |
| 777 | A | 92.5 | Very high | 90.6 | Very high | 14 Ų | 14 | 45 Ų | 45 | 12% | 0.116 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L723 F773 M774 Y779 S780 S781 | L723-A777 HydrophobicContact CD2-CB 3.93Å; F773-A777 WeakPolarHBondContact O-CB 3.42Å; F773-A777 PolarHBondContact O-N 3.25Å; M774-A777 PolarHBondContact O-N 2.97Å; A777-Y779 VanDerWaalsContact C-N 3.34Å; A777-S780 PolarHBondContact O-N 3.38Å; A777-S781 PolarHBondContact O-N 3.12Å; A777-S781 PolarHBondContact O-OG 2.91Å |
| 778 | V | 93.8 | Very high | 90.8 | Very high | 95 Ų | 95 | 43.8 Ų | 43.8 | 58% | 0.576 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -62 | -45.4 | 171.9 | 170.9 | 0 | 0 | 0 | 0 | 110.1 | M774 S781 V782 | M774-V778 WeakPolarHBondContact O-CG2 3.42Å; M774-V778 PolarHBondContact O-N 3.47Å; V778-S781 WeakPolarHBondContact O-CB 3.28Å; V778-S781 PolarHBondContact O-N 3.23Å; V778-V782 WeakPolarHBondContact O-CG2 3.18Å; V778-V782 PolarHBondContact O-N 3.32Å |
| 779 | Y | 93.1 | Very high | 91.1 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.4 | -48.8 | 174.9 | 163.6 | -96.5 | 0 | 0 | 0 | 112.5 | T702 M706 S763 M767 L770 S775 M776 A777 S781 V782 F783 | T702-Y779 WeakPolarHBondContact CG2-OH 3.27Å; M706-Y779 HydrophobicContact CG-CE1 4.3Å; M706-Y779 HydrophobicContact SD-CD1 4.21Å; M706-Y779 HydrophobicContact SD-CE1 3.95Å; S763-Y779 WeakPolarHBondContact O-CD2 3.17Å; M767-Y779 HydrophobicContact CB-CE2 4.34Å; M767-Y779 HydrophobicContact CE-CE1 3.8Å; M767-Y779 HydrophobicContact CE-CE2 4.38Å; M767-Y779 WeakPolarHBondContact CE-OH 3.19Å; M767-Y779 HydrophobicContact SD-CD1 3.82Å; M767-Y779 HydrophobicContact SD-CE1 3.26Å; M767-Y779 WeakPolarHBondContact SD-CE1 3.26Å; M767-Y779 HydrophobicContact SD-CE2 4.23Å; M767-Y779 HydrophobicContact SD-CG 4.49Å; L770-Y779 HydrophobicContact CD1-CD1 4.35Å; L770-Y779 HydrophobicContact CD1-CD2 4.17Å; L770-Y779 HydrophobicContact CD1-CG 3.68Å; S775-Y779 PolarHBondContact O-N 3.01Å; S775-Y779 VanDerWaalsContact O-N 3.15Å; M776-Y779 CarbonylContact O-C 3.56Å; M776-Y779 WeakPolarHBondContact O-CB 3.45Å; M776-Y779 PolarHBondContact O-N 2.84Å; A777-Y779 VanDerWaalsContact C-N 3.34Å; Y779-S781 PolarHBondContact O-N 3.09Å; Y779-V782 PolarHBondContact O-N 2.91Å; Y779-F783 HydrophobicContact CE1-CB 4.48Å; Y779-F783 HydrophobicContact CE2-CB 4.32Å; Y779-F783 WeakPolarHBondContact O-CB 3.34Å; Y779-F783 PolarHBondContact O-N 3.46Å |
| 780 | S | 91.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.5 | -38.1 | 176.1 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | M706 L727 M776 A777 G784 | M706-S780 PolarHBondContact SD-OG 2.98Å; L727-S780 WeakPolarHBondContact CD1-O 3.45Å; M776-S780 PolarHBondContact O-N 3.13Å; M776-S780 PolarHBondContact O-OG 2.94Å; A777-S780 PolarHBondContact O-N 3.38Å; S780-G784 PolarHBondContact O-N 2.85Å |
| 781 | S | 93.6 | Very high | 91.5 | Very high | 40 Ų | 40 | 33.7 Ų | 33.7 | 28% | 0.28 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.1 | -47.3 | 177.7 | -56.4 | 0 | 0 | 0 | 0 | 112 | V726 A730 A777 V778 Y779 G784 M785 | V726-S781 WeakPolarHBondContact CG1-OG 3.21Å; A730-S781 WeakPolarHBondContact CB-O 3.15Å; A777-S781 PolarHBondContact O-N 3.12Å; A777-S781 PolarHBondContact O-OG 2.91Å; V778-S781 WeakPolarHBondContact O-CB 3.28Å; V778-S781 PolarHBondContact O-N 3.23Å; Y779-S781 PolarHBondContact O-N 3.09Å; S781-G784 PolarHBondContact O-N 3Å; S781-M785 WeakPolarHBondContact O-CG 3.15Å; S781-M785 PolarHBondContact O-N 3.43Å |
| 782 | V | 94.2 | Very high | 91.7 | Very high | 48 Ų | 48 | 30 Ų | 30 | 29% | 0.291 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -67 | -40.9 | 178.9 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | V778 Y779 M785 G786 | V778-V782 WeakPolarHBondContact O-CG2 3.18Å; V778-V782 PolarHBondContact O-N 3.32Å; Y779-V782 PolarHBondContact O-N 2.91Å; V782-M785 PolarHBondContact O-N 3.48Å; V782-G786 PolarHBondContact O-N 3.44Å |
| 783 | F | 92.1 | Very high | 91.8 | Very high | 6 Ų | 6 | 26.4 Ų | 26.4 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 176.6 | -173.2 | -104.8 | 0 | 0 | 0 | 111.2 | Y699 T702 L727 C760 Y779 G786 L787 | Y699-F783 HydrophobicContact CD2-CE1 4.21Å; Y699-F783 HydrophobicContact CD2-CE2 4.18Å; Y699-F783 AromaticContact CD2-CZ 3.54Å; Y699-F783 HydrophobicContact CD2-CZ 3.54Å; Y699-F783 HydrophobicContact CE2-CD1 4.34Å; Y699-F783 AromaticContact CE2-CE1 3.42Å; Y699-F783 HydrophobicContact CE2-CE1 3.42Å; Y699-F783 VanDerWaalsContact CE2-CE1 3.42Å; Y699-F783 AromaticContact CE2-CE2 3.96Å; Y699-F783 HydrophobicContact CE2-CE2 3.96Å; Y699-F783 AromaticContact CE2-CZ 3.18Å; Y699-F783 HydrophobicContact CE2-CZ 3.18Å; Y699-F783 HydrophobicContact CG-CZ 4.43Å; Y699-F783 AromaticContact CZ-CE1 3.69Å; Y699-F783 AromaticContact CZ-CZ 3.88Å; Y699-F783 WeakPolarHBondContact OH-CE1 3.26Å; T702-F783 HydrophobicContact CG2-CD2 4.05Å; T702-F783 HydrophobicContact CG2-CE1 4.27Å; T702-F783 HydrophobicContact CG2-CE2 3.46Å; T702-F783 VanDerWaalsContact CG2-CE2 3.46Å; T702-F783 HydrophobicContact CG2-CZ 3.6Å; L727-F783 HydrophobicContact CD1-CB 4.35Å; L727-F783 HydrophobicContact CD1-CD1 3.67Å; L727-F783 HydrophobicContact CD1-CG 4.49Å; L727-F783 HydrophobicContact CD2-CD1 4.5Å; C760-F783 WeakPolarHBondContact SG-CD2 3.5Å; Y779-F783 HydrophobicContact CE1-CB 4.48Å; Y779-F783 HydrophobicContact CE2-CB 4.32Å; Y779-F783 WeakPolarHBondContact O-CB 3.34Å; Y779-F783 PolarHBondContact O-N 3.46Å; F783-G786 PolarHBondContact O-N 2.98Å; F783-L787 PolarHBondContact O-N 3.31Å |
| 784 | G | 91.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L727 N731 S780 S781 G786 L787 A788 | L727-G784 VanDerWaalsContact CD1-N 3.28Å; N731-G784 PolarHBondContact OD1-O 3.39Å; S780-G784 PolarHBondContact O-N 2.85Å; S781-G784 PolarHBondContact O-N 3Å; G784-G786 VanDerWaalsContact C-N 3.3Å; G784-G786 PolarHBondContact O-N 2.81Å; G784-L787 PolarHBondContact O-N 3.15Å; G784-A788 VanDerWaalsContact O-CB 3.31Å; G784-A788 WeakPolarHBondContact O-CB 3.42Å; G784-A788 PolarHBondContact O-N 3.07Å |
| 785 | M | 92.6 | Very high | 91.7 | Very high | 67 Ų | 67 | 17.8 Ų | 17.8 | 33% | 0.33 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -65.5 | -33.2 | 173.9 | -70.9 | -178 | 69 | 0 | 0 | 112.9 | A730 S781 V782 A788 A789 | A730-M785 HydrophobicContact CB-CG 4.47Å; S781-M785 WeakPolarHBondContact O-CG 3.15Å; S781-M785 PolarHBondContact O-N 3.43Å; V782-M785 PolarHBondContact O-N 3.48Å; M785-A788 WeakPolarHBondContact O-CB 3.25Å; M785-A789 PolarHBondContact O-N 3.31Å; M785-A789 VanDerWaalsContact O-N 3.11Å |
| 786 | G | 92 | Very high | 91.7 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.7 | -45.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I757 V782 F783 G784 A788 A789 N790 | I757-G786 VanDerWaalsContact CD1-O 3.29Å; I757-G786 WeakPolarHBondContact CD1-O 3.44Å; V782-G786 PolarHBondContact O-N 3.44Å; F783-G786 PolarHBondContact O-N 2.98Å; G784-G786 VanDerWaalsContact C-N 3.3Å; G784-G786 PolarHBondContact O-N 2.81Å; G786-A788 VanDerWaalsContact C-N 3.34Å; G786-A789 PolarHBondContact O-N 3.33Å; G786-N790 PolarHBondContact O-N 3.3Å |
| 787 | L | 89.6 | Confident | 91.7 | Very high | 20 Ų | 20 | 16.4 Ų | 16.4 | 11% | 0.105 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.1 | -51.4 | 172.1 | 176.5 | 59.8 | 0 | 0 | 0 | 110.6 | Y699 N731 F783 G784 A789 N790 D791 | Y699-L787 HydrophobicContact CD1-CD1 4.08Å; Y699-L787 HydrophobicContact CD2-CD1 4.09Å; Y699-L787 HydrophobicContact CE1-CD1 3.5Å; Y699-L787 HydrophobicContact CE1-CD2 3.78Å; Y699-L787 HydrophobicContact CE1-CG 4.07Å; Y699-L787 HydrophobicContact CE2-CB 3.62Å; Y699-L787 HydrophobicContact CE2-CD1 3.54Å; Y699-L787 HydrophobicContact CE2-CD2 4.3Å; Y699-L787 HydrophobicContact CE2-CG 3.93Å; Y699-L787 HydrophobicContact CG-CD1 4.38Å; Y699-L787 VanDerWaalsContact CZ-CG 3.49Å; Y699-L787 VanDerWaalsContact OH-CB 3.26Å; Y699-L787 WeakPolarHBondContact OH-CB 3.37Å; Y699-L787 WeakPolarHBondContact OH-CD2 3.2Å; Y699-L787 VanDerWaalsContact OH-CG 3.29Å; Y699-L787 WeakPolarHBondContact OH-CG 3.4Å; N731-L787 WeakPolarHBondContact OD1-CD2 3.34Å; N731-L787 WeakPolarHBondContact OD1-CG 3.26Å; F783-L787 PolarHBondContact O-N 3.31Å; G784-L787 PolarHBondContact O-N 3.15Å; L787-A789 VanDerWaalsContact C-N 3.26Å; L787-A789 PolarHBondContact O-N 2.91Å; L787-N790 WeakPolarHBondContact O-CA 3.37Å; L787-N790 WeakPolarHBondContact O-CB 3.09Å; L787-N790 PolarHBondContact O-N 3.44Å; L787-D791 WeakPolarHBondContact CD1-OD2 3.24Å; L787-D791 PolarHBondContact O-N 3.44Å |
| 788 | A | 92.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -54.4 | -42.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | N731 G734 E735 G784 M785 G786 N790 D791 A792 | N731-A788 VanDerWaalsContact O-CB 3.28Å; N731-A788 WeakPolarHBondContact O-CB 3.36Å; N731-A788 VanDerWaalsContact OD1-CA 3.28Å; N731-A788 WeakPolarHBondContact OD1-CA 3.44Å; N731-A788 WeakPolarHBondContact OD1-CB 3.43Å; N731-A788 PolarHBondContact OD1-N 3.01Å; N731-A788 VanDerWaalsContact OD1-N 3.08Å; G734-A788 VanDerWaalsContact C-CB 3.42Å; E735-A788 HydrophobicContact CB-CB 4.38Å; E735-A788 HydrophobicContact CG-CB 3.6Å; G784-A788 VanDerWaalsContact O-CB 3.31Å; G784-A788 WeakPolarHBondContact O-CB 3.42Å; G784-A788 PolarHBondContact O-N 3.07Å; M785-A788 WeakPolarHBondContact O-CB 3.25Å; G786-A788 VanDerWaalsContact C-N 3.34Å; A788-N790 VanDerWaalsContact C-N 3.27Å; A788-N790 PolarHBondContact O-N 3.45Å; A788-D791 PolarHBondContact O-N 2.88Å; A788-A792 VanDerWaalsContact O-CB 3.26Å; A788-A792 WeakPolarHBondContact O-CB 3.46Å; A788-A792 PolarHBondContact O-N 3.29Å |
| 789 | A | 91.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.4 | -37.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A738 M756 M785 G786 L787 L793 | A738-A789 HydrophobicContact CB-CB 4.34Å; M756-A789 HydrophobicContact CB-CB 3.61Å; M756-A789 HydrophobicContact CG-CB 4.02Å; M785-A789 PolarHBondContact O-N 3.31Å; M785-A789 VanDerWaalsContact O-N 3.11Å; G786-A789 PolarHBondContact O-N 3.33Å; L787-A789 VanDerWaalsContact C-N 3.26Å; L787-A789 PolarHBondContact O-N 2.91Å; A789-L793 WeakPolarHBondContact O-CB 3.43Å; A789-L793 VanDerWaalsContact O-CG 3.25Å; A789-L793 WeakPolarHBondContact O-CG 3.44Å; A789-L793 PolarHBondContact O-N 3.5Å |
| 790 | N | 91.3 | Very high | 91 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -68.2 | -49 | 175.6 | -177.5 | 81.8 | 0 | 0 | 0 | 112.5 | N692 L695 Y696 Y753 I757 G786 L787 A788 A792 C794 | N692-N790 PolarHBondContact OD1-OD1 3.25Å; L695-N790 HydrophobicContact CD2-CB 3.89Å; L695-N790 VanDerWaalsContact CD2-CG 3.47Å; L695-N790 VanDerWaalsContact CD2-OD1 3.29Å; L695-N790 WeakPolarHBondContact CD2-OD1 3.39Å; Y696-N790 VanDerWaalsContact CE2-ND2 3.25Å; Y696-N790 WeakPolarHBondContact CE2-ND2 3.38Å; Y696-N790 VanDerWaalsContact CZ-ND2 3.35Å; Y696-N790 PolarHBondContact OH-ND2 3.38Å; Y753-N790 HydrophobicContact CE2-CB 4.05Å; Y753-N790 PolarHBondContact OH-OD1 3.08Å; I757-N790 HydrophobicContact CD1-CB 4.08Å; G786-N790 PolarHBondContact O-N 3.3Å; L787-N790 WeakPolarHBondContact O-CA 3.37Å; L787-N790 WeakPolarHBondContact O-CB 3.09Å; L787-N790 PolarHBondContact O-N 3.44Å; A788-N790 VanDerWaalsContact C-N 3.27Å; A788-N790 PolarHBondContact O-N 3.45Å; N790-A792 PolarHBondContact O-N 3.03Å; N790-C794 WeakPolarHBondContact O-CA 3.35Å; N790-C794 WeakPolarHBondContact O-CB 3.38Å; N790-C794 PolarHBondContact O-N 3.18Å |
| 791 | D | 89.4 | Confident | 90.8 | Very high | 32 Ų | 32 | 17.6 Ų | 17.6 | 17% | 0.171 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.2 | -41.3 | -176.5 | -66.9 | -12.7 | 0 | 0 | 0 | 111.3 | I278 Y696 L787 A788 | I278-D791 WeakPolarHBondContact CD1-O 3.26Å; I278-D791 HydrophobicContact CG2-CB 4.16Å; Y696-D791 PolarHBondContact OH-OD1 3.19Å; L787-D791 WeakPolarHBondContact CD1-OD2 3.24Å; L787-D791 PolarHBondContact O-N 3.44Å; A788-D791 PolarHBondContact O-N 2.88Å |
| 792 | A | 91.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -71.4 | -45.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A788 N790 | A788-A792 VanDerWaalsContact O-CB 3.26Å; A788-A792 WeakPolarHBondContact O-CB 3.46Å; A788-A792 PolarHBondContact O-N 3.29Å; N790-A792 PolarHBondContact O-N 3.03Å |
| 793 | L | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -91.6 | -18.7 | -170.9 | -55.4 | 176.6 | 0 | 0 | 0 | 113.7 | A271 A742 L752 Y753 A789 T795 V796 L797 | A271-L793 HydrophobicContact CB-CD2 4.42Å; A742-L793 HydrophobicContact CB-CD2 3.45Å; A742-L793 VanDerWaalsContact CB-CD2 3.45Å; L752-L793 HydrophobicContact CD2-CD1 4.08Å; L752-L793 HydrophobicContact CG-CD1 4.26Å; Y753-L793 HydrophobicContact CD2-CB 4.37Å; A789-L793 WeakPolarHBondContact O-CB 3.43Å; A789-L793 VanDerWaalsContact O-CG 3.25Å; A789-L793 WeakPolarHBondContact O-CG 3.44Å; A789-L793 PolarHBondContact O-N 3.5Å; L793-T795 VanDerWaalsContact C-N 3.31Å; L793-T795 PolarHBondContact O-N 2.91Å; L793-V796 PolarHBondContact O-N 3.48Å; L793-V796 VanDerWaalsContact O-N 3.1Å; L793-L797 HydrophobicContact CB-CD1 4.49Å; L793-L797 WeakPolarHBondContact O-CB 3.26Å; L793-L797 WeakPolarHBondContact O-CG 3.41Å; L793-L797 PolarHBondContact O-N 3.14Å |
| 794 | C | 91 | Very high | 89.2 | Confident | 3 Ų | 3 | 19.1 Ų | 19.1 | 2% | 0.02 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.9 | -45 | -178.6 | 174.4 | 0 | 0 | 0 | 0 | 111.8 | F688 N790 L798 C814 | F688-C794 HydrophobicContact CZ-CB 4.3Å; N790-C794 WeakPolarHBondContact O-CA 3.35Å; N790-C794 WeakPolarHBondContact O-CB 3.38Å; N790-C794 PolarHBondContact O-N 3.18Å; C794-L798 WeakPolarHBondContact O-CB 3.23Å; C794-L798 PolarHBondContact O-N 3.38Å; C794-C814 VanDerWaalsContact SG-SG 3.65Å |
| 795 | T | 88.5 | Confident | 88.3 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68 | -36 | 177.6 | 64.2 | 0 | 0 | 0 | 0 | 112.1 | L259 T274 L793 L798 V799 L811 | L259-T795 HydrophobicContact CD1-CG2 4.25Å; L259-T795 HydrophobicContact CD2-CG2 4.18Å; T274-T795 WeakPolarHBondContact CG2-OG1 3.37Å; L793-T795 VanDerWaalsContact C-N 3.31Å; L793-T795 PolarHBondContact O-N 2.91Å; T795-L798 PolarHBondContact O-N 2.88Å; T795-V799 WeakPolarHBondContact O-CG2 3.49Å; T795-V799 PolarHBondContact O-N 3.26Å; T795-L811 HydrophobicContact CG2-CD1 3.83Å |
| 796 | V | 90.5 | Very high | 87.7 | Confident | 8 Ų | 8 | 28.7 Ų | 28.7 | 5% | 0.048 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.3 | -51.8 | 178 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | A271 L793 L798 V799 E800 | A271-V796 HydrophobicContact CB-CG1 4.29Å; A271-V796 HydrophobicContact CB-CG2 3.86Å; L793-V796 PolarHBondContact O-N 3.48Å; L793-V796 VanDerWaalsContact O-N 3.1Å; V796-L798 PolarHBondContact O-N 3.08Å; V796-V799 WeakPolarHBondContact O-CB 3.49Å; V796-V799 PolarHBondContact O-N 3.26Å; V796-E800 PolarHBondContact O-N 3.13Å |
| 797 | L | 92.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.5 | -38.1 | 176.5 | -68.9 | 175 | 0 | 0 | 0 | 111.6 | F688 L750 Y753 L793 E800 F801 | F688-L797 HydrophobicContact CE2-CB 4.31Å; F688-L797 HydrophobicContact CE2-CD1 3.81Å; F688-L797 HydrophobicContact CZ-CB 4.18Å; F688-L797 HydrophobicContact CZ-CD1 4.3Å; L750-L797 HydrophobicContact CB-CD2 3.97Å; L750-L797 HydrophobicContact CD1-CD1 4.38Å; L750-L797 HydrophobicContact CD1-CD2 4.21Å; Y753-L797 HydrophobicContact CD1-CD1 3.92Å; Y753-L797 HydrophobicContact CD2-CD1 4.13Å; Y753-L797 HydrophobicContact CE1-CD1 4.48Å; Y753-L797 HydrophobicContact CG-CD1 3.72Å; L793-L797 HydrophobicContact CB-CD1 4.49Å; L793-L797 WeakPolarHBondContact O-CB 3.26Å; L793-L797 WeakPolarHBondContact O-CG 3.41Å; L793-L797 PolarHBondContact O-N 3.14Å; L797-E800 WeakPolarHBondContact O-CB 3.26Å; L797-E800 PolarHBondContact O-N 3.46Å; L797-F801 HydrophobicContact CB-CE2 4.13Å; L797-F801 WeakPolarHBondContact O-CD2 3.4Å; L797-F801 VanDerWaalsContact O-CG 3.27Å; L797-F801 WeakPolarHBondContact O-CG 3.45Å; L797-F801 PolarHBondContact O-N 3.17Å |
| 798 | L | 89.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 175.5 | -179.9 | 68 | 0 | 0 | 0 | 111.9 | F685 C794 T795 V796 E800 F801 V802 L807 L811 | F685-L798 HydrophobicContact CD2-CD1 4.12Å; F685-L798 HydrophobicContact CE2-CD1 3.55Å; C794-L798 WeakPolarHBondContact O-CB 3.23Å; C794-L798 PolarHBondContact O-N 3.38Å; T795-L798 PolarHBondContact O-N 2.88Å; V796-L798 PolarHBondContact O-N 3.08Å; L798-E800 VanDerWaalsContact C-N 3.32Å; L798-F801 PolarHBondContact O-N 3.02Å; L798-V802 HydrophobicContact CD1-CG2 3.88Å; L798-V802 WeakPolarHBondContact O-CB 3.38Å; L798-V802 PolarHBondContact O-N 2.6Å; L798-L807 HydrophobicContact CD2-CD1 3.86Å; L798-L807 HydrophobicContact CG-CD1 4.13Å; L798-L811 HydrophobicContact CD2-CB 3.68Å; L798-L811 HydrophobicContact CD2-CD1 3.91Å; L798-L811 HydrophobicContact CD2-CG 4.43Å; L798-L811 VanDerWaalsContact CD2-N 3.3Å |
| 799 | V | 87 | Confident | 86.8 | Confident | 8 Ų | 8 | 29.6 Ų | 29.6 | 5% | 0.048 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.4 | -40.5 | 173 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | T795 V796 G803 L804 L807 | T795-V799 WeakPolarHBondContact O-CG2 3.49Å; T795-V799 PolarHBondContact O-N 3.26Å; V796-V799 WeakPolarHBondContact O-CB 3.49Å; V796-V799 PolarHBondContact O-N 3.26Å; V799-G803 WeakPolarHBondContact O-CA 3.46Å; V799-G803 PolarHBondContact O-N 3.44Å; V799-L804 HydrophobicContact CG1-CD2 3.68Å; V799-L804 HydrophobicContact CG1-CG 3.72Å; V799-L804 HydrophobicContact CG2-CD2 4.15Å; V799-L807 HydrophobicContact CG2-CB 4.5Å; V799-L807 HydrophobicContact CG2-CD1 3.36Å; V799-L807 HydrophobicContact CG2-CD2 3.65Å; V799-L807 HydrophobicContact CG2-CG 3.98Å |
| 800 | E | 87.6 | Confident | 86.6 | Confident | 95 Ų | 95 | 29.6 Ų | 29.6 | 44% | 0.444 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 177.3 | -69.1 | 176 | -176.9 | 0 | 0 | 112.3 | S749 V796 L797 L798 | S749-E800 WeakPolarHBondContact CB-OE1 3.19Å; S749-E800 PolarHBondContact OG-OE1 2.87Å; V796-E800 PolarHBondContact O-N 3.13Å; L797-E800 WeakPolarHBondContact O-CB 3.26Å; L797-E800 PolarHBondContact O-N 3.46Å; L798-E800 VanDerWaalsContact C-N 3.32Å |
| 801 | F | 86.3 | Confident | 86.5 | Confident | 38 Ų | 38 | 29.6 Ų | 29.6 | 17% | 0.167 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -79 | -38.6 | -178.6 | -62.6 | -33.2 | 0 | 0 | 0 | 114.6 | R682 T684 F688 L750 L797 L798 | R682-F801 PolarHBondContact NH1-O 3.24Å; T684-F801 HydrophobicContact CG2-CD1 3.73Å; T684-F801 HydrophobicContact CG2-CE1 3.61Å; T684-F801 HydrophobicContact CG2-CG 4.25Å; T684-F801 HydrophobicContact CG2-CZ 4.02Å; F688-F801 HydrophobicContact CB-CD2 4.37Å; F688-F801 HydrophobicContact CB-CE2 3.94Å; F688-F801 HydrophobicContact CD1-CD2 4.23Å; F688-F801 HydrophobicContact CD1-CE2 4.13Å; F688-F801 AromaticContact CD2-CE2 3.98Å; F688-F801 HydrophobicContact CD2-CE2 3.98Å; F688-F801 HydrophobicContact CG-CD2 4.24Å; F688-F801 AromaticContact CG-CE2 3.75Å; F688-F801 HydrophobicContact CG-CE2 3.75Å; L750-F801 HydrophobicContact CD1-CZ 4.22Å; L797-F801 HydrophobicContact CB-CE2 4.13Å; L797-F801 WeakPolarHBondContact O-CD2 3.4Å; L797-F801 VanDerWaalsContact O-CG 3.27Å; L797-F801 WeakPolarHBondContact O-CG 3.45Å; L797-F801 PolarHBondContact O-N 3.17Å; L798-F801 PolarHBondContact O-N 3.02Å |
| 802 | V | 85.3 | Confident | 86.6 | Confident | 21 Ų | 21 | 28.1 Ų | 28.1 | 13% | 0.127 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -105.6 | -27.8 | -169.2 | 173 | 0 | 0 | 0 | 0 | 112 | L679 F685 L798 R806 | L679-V802 HydrophobicContact CD2-CG1 3.88Å; L679-V802 HydrophobicContact CD2-CG2 3.82Å; L679-V802 HydrophobicContact CG-CG1 4.44Å; L679-V802 HydrophobicContact CG-CG2 4.46Å; F685-V802 HydrophobicContact CD2-CG2 3.74Å; F685-V802 HydrophobicContact CE2-CG2 4.02Å; L798-V802 HydrophobicContact CD1-CG2 3.88Å; L798-V802 WeakPolarHBondContact O-CB 3.38Å; L798-V802 PolarHBondContact O-N 2.6Å; V802-R806 HydrophobicContact CG1-CB 3.31Å; V802-R806 WeakPolarHBondContact CG1-O 3.41Å |
| 803 | G | 80.6 | Confident | 86.5 | Confident | 31 Ų | 31 | 28.2 Ų | 28.2 | 32% | 0.32 | 14% | 0.142 | S | C | . | . | trans | 85 | 153.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V799 H805 R806 L807 | V799-G803 WeakPolarHBondContact O-CA 3.46Å; V799-G803 PolarHBondContact O-N 3.44Å; G803-H805 VanDerWaalsContact C-N 3.28Å; G803-H805 PolarHBondContact O-N 3.45Å; G803-R806 PolarHBondContact O-N 3.18Å; G803-L807 PolarHBondContact O-N 3.21Å | ||
| 804 | L | 80.2 | Confident | 86.5 | Confident | 75 Ų | 75 | 28.2 Ų | 28.2 | 39% | 0.393 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | -54.7 | -37.7 | -178 | -76 | 167.2 | 0 | 0 | 0 | 114 | V799 R806 L807 | V799-L804 HydrophobicContact CG1-CD2 3.68Å; V799-L804 HydrophobicContact CG1-CG 3.72Å; V799-L804 HydrophobicContact CG2-CD2 4.15Å; L804-R806 PolarHBondContact O-N 2.89Å; L804-L807 HydrophobicContact CD2-CD2 4.38Å; L804-L807 VanDerWaalsContact O-CB 3.22Å; L804-L807 WeakPolarHBondContact O-CB 3.4Å; L804-L807 PolarHBondContact O-N 3.34Å |
| 805 | H | 73.9 | Confident | 86.5 | Confident | 167 Ų | 167 | 29.3 Ų | 29.3 | 77% | 0.773 | 15% | 0.146 | S | C | * | . | G | 310 helix | trans | -64.6 | -27.9 | -176.4 | -174.5 | -66.9 | 0 | 0 | 0 | 113 | G803 | G803-H805 VanDerWaalsContact C-N 3.28Å; G803-H805 PolarHBondContact O-N 3.45Å |
| 806 | R | 80.5 | Confident | 86.6 | Confident | 101 Ų | 101 | 32.7 Ų | 32.7 | 38% | 0.381 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -110.9 | 13.3 | 179 | -67.8 | -171.3 | -164.7 | -161.3 | 13.3 | 112.1 | D676 V802 G803 L804 T808 N809 G810 | D676-R806 IonicContact OD2-CZ 2.62Å; D676-R806 IonicContact OD2-NH1 3Å; D676-R806 PolarHBondContact OD2-NH1 2.71Å; V802-R806 HydrophobicContact CG1-CB 3.31Å; V802-R806 WeakPolarHBondContact CG1-O 3.41Å; G803-R806 PolarHBondContact O-N 3.18Å; L804-R806 PolarHBondContact O-N 2.89Å; R806-T808 PolarHBondContact O-N 2.96Å; R806-N809 PolarHBondContact O-N 3.46Å; R806-G810 PolarHBondContact O-N 3.36Å |
| 807 | L | 84.1 | Confident | 86.6 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.5 | -47.6 | -179 | 176.4 | 58.7 | 0 | 0 | 0 | 111.6 | L798 V799 G803 L804 N809 G810 L811 | L798-L807 HydrophobicContact CD2-CD1 3.86Å; L798-L807 HydrophobicContact CG-CD1 4.13Å; V799-L807 HydrophobicContact CG2-CB 4.5Å; V799-L807 HydrophobicContact CG2-CD1 3.36Å; V799-L807 HydrophobicContact CG2-CD2 3.65Å; V799-L807 HydrophobicContact CG2-CG 3.98Å; G803-L807 PolarHBondContact O-N 3.21Å; L804-L807 HydrophobicContact CD2-CD2 4.38Å; L804-L807 VanDerWaalsContact O-CB 3.22Å; L804-L807 WeakPolarHBondContact O-CB 3.4Å; L804-L807 PolarHBondContact O-N 3.34Å; L807-N809 PolarHBondContact O-N 3.37Å; L807-G810 PolarHBondContact O-N 2.94Å; L807-L811 WeakPolarHBondContact O-CB 3.19Å; L807-L811 PolarHBondContact O-N 3.43Å |
| 808 | T | 84.7 | Confident | 86.4 | Confident | 8 Ų | 8 | 34 Ų | 34 | 5% | 0.049 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.9 | -48.2 | -177.8 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | S204 N208 V260 R806 L811 G812 | S204-T808 WeakPolarHBondContact CB-O 3.26Å; S204-T808 PolarHBondContact OG-O 3.19Å; N208-T808 PolarHBondContact ND2-OG1 3.43Å; N208-T808 PolarHBondContact OD1-OG1 3.48Å; V260-T808 HydrophobicContact CG1-CG2 3.76Å; V260-T808 HydrophobicContact CG2-CG2 3.94Å; R806-T808 PolarHBondContact O-N 2.96Å; T808-L811 PolarHBondContact O-N 3.47Å; T808-G812 PolarHBondContact O-N 3.24Å |
| 809 | N | 85 | Confident | 86.4 | Confident | 28 Ų | 28 | 34 Ų | 34 | 15% | 0.15 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.5 | -43.2 | 178.4 | -67.1 | 1.4 | 0 | 0 | 0 | 112.3 | N208 R806 L807 L811 I813 | N208-N809 PolarHBondContact ND2-OD1 3.11Å; R806-N809 PolarHBondContact O-N 3.46Å; L807-N809 PolarHBondContact O-N 3.37Å; N809-L811 VanDerWaalsContact C-N 3.3Å; N809-L811 PolarHBondContact O-N 2.86Å; N809-I813 VanDerWaalsContact O-CG1 3.31Å; N809-I813 WeakPolarHBondContact O-CG1 3.36Å; N809-I813 PolarHBondContact O-N 2.87Å; N809-I813 VanDerWaalsContact O-N 3.12Å |
| 810 | G | 87.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.9 | -38.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R806 L807 I813 C814 | R806-G810 PolarHBondContact O-N 3.36Å; L807-G810 PolarHBondContact O-N 2.94Å; G810-I813 PolarHBondContact O-N 3.33Å; G810-C814 WeakPolarHBondContact O-CB 3.48Å; G810-C814 PolarHBondContact O-N 3.46Å |
| 811 | L | 89.5 | Confident | 86.3 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.9 | -44.5 | -177.9 | -176.1 | 67 | 0 | 0 | 0 | 110 | T256 L259 V260 T795 L798 L807 T808 N809 I813 C814 F815 | T256-L811 HydrophobicContact CG2-CD2 4.21Å; L259-L811 HydrophobicContact CB-CD2 4.23Å; V260-L811 HydrophobicContact CG2-CD2 3.82Å; T795-L811 HydrophobicContact CG2-CD1 3.83Å; L798-L811 HydrophobicContact CD2-CB 3.68Å; L798-L811 HydrophobicContact CD2-CD1 3.91Å; L798-L811 HydrophobicContact CD2-CG 4.43Å; L798-L811 VanDerWaalsContact CD2-N 3.3Å; L807-L811 WeakPolarHBondContact O-CB 3.19Å; L807-L811 PolarHBondContact O-N 3.43Å; T808-L811 PolarHBondContact O-N 3.47Å; N809-L811 VanDerWaalsContact C-N 3.3Å; N809-L811 PolarHBondContact O-N 2.86Å; L811-I813 VanDerWaalsContact C-N 3.33Å; L811-I813 PolarHBondContact O-N 3.38Å; L811-C814 PolarHBondContact O-N 3.42Å; L811-F815 HydrophobicContact CD1-CD1 4.2Å; L811-F815 HydrophobicContact CD1-CD2 4.33Å; L811-F815 HydrophobicContact CD1-CE1 3.85Å; L811-F815 HydrophobicContact CD1-CE2 3.98Å; L811-F815 HydrophobicContact CD1-CG 4.46Å; L811-F815 HydrophobicContact CD1-CZ 3.74Å; L811-F815 HydrophobicContact CG-CD2 4.29Å; L811-F815 HydrophobicContact CG-CE2 4.19Å; L811-F815 HydrophobicContact CG-CZ 4.45Å; L811-F815 WeakPolarHBondContact O-CB 3.48Å; L811-F815 PolarHBondContact O-N 3.39Å |
| 812 | G | 90.1 | Very high | 86 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.2 | -46.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P201 T808 F816 | P201-G812 WeakPolarHBondContact CD-O 3.42Å; P201-G812 WeakPolarHBondContact CG-O 3.22Å; T808-G812 PolarHBondContact O-N 3.24Å; G812-F816 VanDerWaalsContact O-CB 3.24Å; G812-F816 WeakPolarHBondContact O-CB 3.21Å; G812-F816 PolarHBondContact O-N 3.02Å |
| 813 | I | 90 | Very high | 85.7 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.9 | -43.4 | 177.6 | -66.2 | 167.9 | 0 | 0 | 0 | 111.3 | F675 F680 F685 N809 G810 L811 F816 C817 | F675-I813 HydrophobicContact CD1-CG1 4Å; F675-I813 HydrophobicContact CE1-CG1 4.49Å; F680-I813 HydrophobicContact CE2-CD1 4.31Å; F680-I813 HydrophobicContact CE2-CG2 3.84Å; F680-I813 HydrophobicContact CZ-CG2 3.56Å; F685-I813 HydrophobicContact CE1-CG2 4.34Å; F685-I813 HydrophobicContact CZ-CG2 4.19Å; N809-I813 VanDerWaalsContact O-CG1 3.31Å; N809-I813 WeakPolarHBondContact O-CG1 3.36Å; N809-I813 PolarHBondContact O-N 2.87Å; N809-I813 VanDerWaalsContact O-N 3.12Å; G810-I813 PolarHBondContact O-N 3.33Å; L811-I813 VanDerWaalsContact C-N 3.33Å; L811-I813 PolarHBondContact O-N 3.38Å; I813-F816 WeakPolarHBondContact O-CB 3.22Å; I813-F816 PolarHBondContact O-N 3.14Å; I813-C817 PolarHBondContact O-N 3.06Å; I813-C817 PolarHBondContact O-SG 3.3Å |
| 814 | C | 91 | Very high | 85.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.3 | -53 | 179.7 | -176.2 | 0 | 0 | 0 | 0 | 111.8 | M689 C794 G810 L811 F816 C817 Q818 | M689-C814 HydrophobicContact CE-CB 3.74Å; M689-C814 VanDerWaalsContact CE-SG 3.54Å; M689-C814 VanDerWaalsContact SD-CA 3.51Å; M689-C814 HydrophobicContact SD-CB 3.72Å; C794-C814 VanDerWaalsContact SG-SG 3.65Å; G810-C814 WeakPolarHBondContact O-CB 3.48Å; G810-C814 PolarHBondContact O-N 3.46Å; L811-C814 PolarHBondContact O-N 3.42Å; C814-F816 VanDerWaalsContact C-N 3.31Å; C814-F816 PolarHBondContact O-N 3.11Å; C814-C817 WeakPolarHBondContact O-CB 3.49Å; C814-C817 PolarHBondContact O-N 3.23Å; C814-C817 VanDerWaalsContact O-N 3.15Å; C814-Q818 WeakPolarHBondContact O-CG 3.48Å; C814-Q818 PolarHBondContact O-N 3Å; C814-Q818 PolarHBondContact SG-NE2 3.29Å |
| 815 | F | 91.5 | Very high | 85.4 | Confident | 27 Ų | 27 | 30.4 Ų | 30.4 | 12% | 0.118 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.7 | -33.6 | 178.7 | -76 | 0.2 | 0 | 0 | 0 | 112.7 | A197 A200 I255 L259 L811 C817 Q818 G819 | A197-F815 CarbonylContact C-O 3.44Å; A197-F815 CarbonylContact O-C 3.44Å; A197-F815 VanDerWaalsContact O-O 3.12Å; A200-F815 HydrophobicContact CB-CB 3.38Å; A200-F815 HydrophobicContact CB-CD2 3.95Å; A200-F815 HydrophobicContact CB-CG 4.18Å; I255-F815 HydrophobicContact CG2-CE2 4.49Å; L259-F815 HydrophobicContact CD1-CE2 3.45Å; L259-F815 VanDerWaalsContact CD1-CE2 3.45Å; L259-F815 HydrophobicContact CD1-CZ 3.43Å; L259-F815 VanDerWaalsContact CD1-CZ 3.43Å; L811-F815 HydrophobicContact CD1-CD1 4.2Å; L811-F815 HydrophobicContact CD1-CD2 4.33Å; L811-F815 HydrophobicContact CD1-CE1 3.85Å; L811-F815 HydrophobicContact CD1-CE2 3.98Å; L811-F815 HydrophobicContact CD1-CG 4.46Å; L811-F815 HydrophobicContact CD1-CZ 3.74Å; L811-F815 HydrophobicContact CG-CD2 4.29Å; L811-F815 HydrophobicContact CG-CE2 4.19Å; L811-F815 HydrophobicContact CG-CZ 4.45Å; L811-F815 WeakPolarHBondContact O-CB 3.48Å; L811-F815 PolarHBondContact O-N 3.39Å; F815-C817 VanDerWaalsContact C-N 3.35Å; F815-C817 PolarHBondContact O-N 3.36Å; F815-Q818 PolarHBondContact O-N 3.48Å; F815-G819 PolarHBondContact O-N 3.18Å |
| 816 | F | 91.5 | Very high | 85.1 | Confident | 72 Ų | 72 | 24.5 Ų | 24.5 | 32% | 0.316 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -58 | -48.6 | 171.3 | 179.2 | -95.6 | 0 | 0 | 0 | 111.4 | A197 L198 P201 F675 G812 I813 C814 Q818 G819 V820 | A197-F816 PolarHBondContact O-N 3.38Å; L198-F816 HydrophobicContact CD2-CD2 4.28Å; L198-F816 HydrophobicContact CD2-CE2 4.21Å; L198-F816 WeakPolarHBondContact O-CD2 3.34Å; P201-F816 HydrophobicContact CG-CB 3.69Å; P201-F816 HydrophobicContact CG-CD2 4.02Å; P201-F816 HydrophobicContact CG-CG 4.12Å; F675-F816 HydrophobicContact CE1-CD1 4.32Å; F675-F816 HydrophobicContact CE1-CG 4.48Å; G812-F816 VanDerWaalsContact O-CB 3.24Å; G812-F816 WeakPolarHBondContact O-CB 3.21Å; G812-F816 PolarHBondContact O-N 3.02Å; I813-F816 WeakPolarHBondContact O-CB 3.22Å; I813-F816 PolarHBondContact O-N 3.14Å; C814-F816 VanDerWaalsContact C-N 3.31Å; C814-F816 PolarHBondContact O-N 3.11Å; F816-Q818 PolarHBondContact O-N 3.29Å; F816-G819 PolarHBondContact O-N 3.35Å; F816-V820 HydrophobicContact CD1-CG2 4.43Å; F816-V820 HydrophobicContact CE1-CG2 4.04Å; F816-V820 HydrophobicContact CZ-CG2 4.14Å; F816-V820 WeakPolarHBondContact O-CG2 3.37Å; F816-V820 PolarHBondContact O-N 3.17Å |
| 817 | C | 89.6 | Confident | 84.5 | Confident | 28 Ų | 28 | 21.8 Ų | 21.8 | 19% | 0.189 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.8 | -42.8 | 176.3 | -71.3 | 0 | 0 | 0 | 0 | 112.1 | F693 I813 C814 F815 V820 A821 | F693-C817 WeakPolarHBondContact CD2-O 3.33Å; I813-C817 PolarHBondContact O-N 3.06Å; I813-C817 PolarHBondContact O-SG 3.3Å; C814-C817 WeakPolarHBondContact O-CB 3.49Å; C814-C817 PolarHBondContact O-N 3.23Å; C814-C817 VanDerWaalsContact O-N 3.15Å; F815-C817 VanDerWaalsContact C-N 3.35Å; F815-C817 PolarHBondContact O-N 3.36Å; C817-V820 PolarHBondContact O-N 3.16Å; C817-A821 PolarHBondContact O-N 3.5Å |
| 818 | Q | 89.6 | Confident | 83.8 | Confident | 7 Ų | 7 | 26.1 Ų | 26.1 | 3% | 0.033 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -40.7 | 175.9 | -63.9 | 174.8 | -3.5 | 0 | 0 | 111.9 | N692 Y696 C814 F815 F816 A821 N822 | N692-Q818 HydrophobicContact CB-CG 4.48Å; N692-Q818 PolarHBondContact OD1-NE2 3.01Å; N692-Q818 VanDerWaalsContact OD1-NE2 3.16Å; Y696-Q818 HydrophobicContact CD1-CB 4.37Å; Y696-Q818 HydrophobicContact CD2-CB 3.9Å; Y696-Q818 HydrophobicContact CD2-CG 3.41Å; Y696-Q818 VanDerWaalsContact CD2-CG 3.41Å; Y696-Q818 HydrophobicContact CE2-CB 4.19Å; Y696-Q818 HydrophobicContact CE2-CG 3.52Å; Y696-Q818 VanDerWaalsContact CE2-NE2 3.28Å; Y696-Q818 HydrophobicContact CG-CB 3.96Å; Y696-Q818 HydrophobicContact CG-CG 4.01Å; C814-Q818 WeakPolarHBondContact O-CG 3.48Å; C814-Q818 PolarHBondContact O-N 3Å; C814-Q818 PolarHBondContact SG-NE2 3.29Å; F815-Q818 PolarHBondContact O-N 3.48Å; F816-Q818 PolarHBondContact O-N 3.29Å; Q818-A821 WeakPolarHBondContact O-CB 3.5Å; Q818-A821 PolarHBondContact O-N 3.13Å; Q818-N822 WeakPolarHBondContact O-CB 3.27Å; Q818-N822 PolarHBondContact O-N 3.45Å |
| 819 | G | 87.7 | Confident | 83 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.5 | -41.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | F815 F816 A821 N822 I823 | F815-G819 PolarHBondContact O-N 3.18Å; F816-G819 PolarHBondContact O-N 3.35Å; G819-A821 VanDerWaalsContact C-N 3.35Å; G819-N822 PolarHBondContact O-N 2.86Å; G819-I823 WeakPolarHBondContact O-CG1 3.36Å; G819-I823 PolarHBondContact O-N 3.03Å; G819-I823 VanDerWaalsContact O-N 3.11Å |
| 820 | V | 87.8 | Confident | 81.9 | Confident | 46 Ų | 46 | 28.5 Ų | 28.5 | 28% | 0.279 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 173.1 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | L198 F693 F816 C817 N822 I823 L824 | L198-V820 HydrophobicContact CD2-CB 4.46Å; L198-V820 HydrophobicContact CD2-CG2 3.59Å; F693-V820 HydrophobicContact CE2-CB 4.43Å; F693-V820 HydrophobicContact CE2-CG1 4.13Å; F816-V820 HydrophobicContact CD1-CG2 4.43Å; F816-V820 HydrophobicContact CE1-CG2 4.04Å; F816-V820 HydrophobicContact CZ-CG2 4.14Å; F816-V820 WeakPolarHBondContact O-CG2 3.37Å; F816-V820 PolarHBondContact O-N 3.17Å; C817-V820 PolarHBondContact O-N 3.16Å; V820-N822 PolarHBondContact O-N 3.05Å; V820-I823 PolarHBondContact O-N 3.31Å; V820-L824 HydrophobicContact CG1-CD1 3.79Å; V820-L824 HydrophobicContact CG1-CG 4.42Å; V820-L824 WeakPolarHBondContact O-CG 3.2Å; V820-L824 PolarHBondContact O-N 3.16Å; V820-L824 VanDerWaalsContact O-N 3.12Å |
| 821 | A | 86 | Confident | 80.5 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F693 F697 C817 Q818 G819 I823 L824 G825 | F693-A821 HydrophobicContact CD2-CB 3.79Å; F693-A821 HydrophobicContact CE2-CB 3.85Å; F693-A821 HydrophobicContact CG-CB 4.23Å; F693-A821 HydrophobicContact CZ-CB 4.32Å; F693-A821 WeakPolarHBondContact O-CB 3.26Å; F697-A821 HydrophobicContact CB-CB 4.21Å; C817-A821 PolarHBondContact O-N 3.5Å; Q818-A821 WeakPolarHBondContact O-CB 3.5Å; Q818-A821 PolarHBondContact O-N 3.13Å; G819-A821 VanDerWaalsContact C-N 3.35Å; A821-I823 VanDerWaalsContact C-N 3.35Å; A821-I823 PolarHBondContact O-N 2.84Å; A821-L824 PolarHBondContact O-N 3.12Å; A821-G825 PolarHBondContact O-N 3.49Å |
| 822 | N | 80.4 | Confident | 79 | Confident | 14 Ų | 14 | 43.3 Ų | 43.3 | 8% | 0.075 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.4 | -33.9 | 179.6 | -75.6 | -14.8 | 0 | 0 | 0 | 113.5 | Y696 N700 Q818 G819 V820 P826 | Y696-N822 WeakPolarHBondContact CB-OD1 3.41Å; Y696-N822 WeakPolarHBondContact CD1-OD1 3.39Å; Y696-N822 PolarHBondContact O-OD1 3.26Å; Y696-N822 VanDerWaalsContact O-OD1 3.05Å; N700-N822 PolarHBondContact ND2-OD1 3.46Å; Q818-N822 WeakPolarHBondContact O-CB 3.27Å; Q818-N822 PolarHBondContact O-N 3.45Å; G819-N822 PolarHBondContact O-N 2.86Å; V820-N822 PolarHBondContact O-N 3.05Å; N822-P826 WeakPolarHBondContact O-CD 3.4Å |
| 823 | I | 78.9 | Confident | 77.2 | Confident | 55 Ų | 55 | 45.3 Ų | 45.3 | 28% | 0.282 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -77.5 | -36 | 179 | -71.3 | 164.6 | 0 | 0 | 0 | 111.4 | L198 G819 V820 A821 P827 | L198-I823 HydrophobicContact CD1-CD1 3.13Å; L198-I823 HydrophobicContact CD2-CD1 4.36Å; L198-I823 HydrophobicContact CG-CD1 3.7Å; G819-I823 WeakPolarHBondContact O-CG1 3.36Å; G819-I823 PolarHBondContact O-N 3.03Å; G819-I823 VanDerWaalsContact O-N 3.11Å; V820-I823 PolarHBondContact O-N 3.31Å; A821-I823 VanDerWaalsContact C-N 3.35Å; A821-I823 PolarHBondContact O-N 2.84Å; I823-P827 WeakPolarHBondContact O-CD 3.44Å; I823-P827 WeakPolarHBondContact O-CG 3.38Å |
| 824 | L | 79.2 | Confident | 75.2 | Confident | 79 Ų | 79 | 51.7 Ų | 51.7 | 41% | 0.414 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -75.5 | -32.2 | 178.7 | -67.7 | 174.4 | 0 | 0 | 0 | 112.7 | F697 V820 A821 L828 | F697-L824 HydrophobicContact CD2-CB 4.45Å; F697-L824 HydrophobicContact CE2-CB 4.06Å; V820-L824 HydrophobicContact CG1-CD1 3.79Å; V820-L824 HydrophobicContact CG1-CG 4.42Å; V820-L824 WeakPolarHBondContact O-CG 3.2Å; V820-L824 PolarHBondContact O-N 3.16Å; V820-L824 VanDerWaalsContact O-N 3.12Å; A821-L824 PolarHBondContact O-N 3.12Å; L824-L828 HydrophobicContact CB-CD1 4.26Å; L824-L828 WeakPolarHBondContact O-CB 3.32Å; L824-L828 VanDerWaalsContact O-CD1 3.28Å; L824-L828 WeakPolarHBondContact O-CD1 3.35Å; L824-L828 WeakPolarHBondContact O-CG 3.42Å |
| 825 | G | 73.6 | Confident | 73.1 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.3 | -64.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A821 | A821-G825 PolarHBondContact O-N 3.49Å |
| 826 | P | 69.2 | Low | 70.8 | Confident | 43 Ų | 43 | 63 Ų | 63 | 28% | 0.279 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.2 | -49.2 | -174 | -21.2 | 30.9 | 0 | 0 | 0 | 114.5 | N700 N822 L828 I829 V830 | N700-P826 HydrophobicContact CB-CG 4.46Å; N822-P826 WeakPolarHBondContact O-CD 3.4Å; P826-L828 VanDerWaalsContact C-N 3.35Å; P826-L828 PolarHBondContact O-N 2.93Å; P826-I829 PolarHBondContact O-N 2.96Å; P826-V830 VanDerWaalsContact O-CG2 3.27Å; P826-V830 WeakPolarHBondContact O-CG2 3.45Å; P826-V830 PolarHBondContact O-N 3.35Å |
| 827 | P | 67 | Low | 68.6 | Low | 44 Ų | 44 | 68.4 Ų | 68.4 | 29% | 0.286 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.6 | -41 | -177.8 | -24.3 | 35 | 0 | 0 | 0 | 113.3 | W187 I823 I829 V830 D831 | W187-P827 HydrophobicContact CH2-CG 4.29Å; I823-P827 WeakPolarHBondContact O-CD 3.44Å; I823-P827 WeakPolarHBondContact O-CG 3.38Å; P827-I829 PolarHBondContact O-N 3.23Å; P827-I829 VanDerWaalsContact O-N 3.16Å; P827-V830 PolarHBondContact O-N 3.43Å; P827-D831 PolarHBondContact O-N 3.17Å |
| 828 | L | 70 | Confident | 66 | Low | 94 Ų | 94 | 75 Ų | 75 | 49% | 0.492 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.9 | -25.5 | -178.3 | -73.2 | 175.2 | 0 | 0 | 0 | 113.2 | F697 L824 P826 | F697-L828 HydrophobicContact CE2-CD1 3.86Å; F697-L828 HydrophobicContact CZ-CD1 3.74Å; L824-L828 HydrophobicContact CB-CD1 4.26Å; L824-L828 WeakPolarHBondContact O-CB 3.32Å; L824-L828 VanDerWaalsContact O-CD1 3.28Å; L824-L828 WeakPolarHBondContact O-CD1 3.35Å; L824-L828 WeakPolarHBondContact O-CG 3.42Å; P826-L828 VanDerWaalsContact C-N 3.35Å; P826-L828 PolarHBondContact O-N 2.93Å |
| 829 | I | 66.9 | Low | 64.8 | Low | 27 Ų | 27 | 78.4 Ų | 78.4 | 14% | 0.138 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -99.9 | -37.9 | -176.7 | -61.9 | 177.7 | 0 | 0 | 0 | 111.1 | W698 V701 F705 P826 P827 D831 R832 S833 | W698-I829 HydrophobicContact CE3-CD1 3.94Å; W698-I829 HydrophobicContact CH2-CD1 3.77Å; W698-I829 HydrophobicContact CZ3-CD1 3.31Å; W698-I829 HydrophobicContact CZ3-CG1 4.5Å; V701-I829 HydrophobicContact CB-CD1 3.94Å; V701-I829 HydrophobicContact CG1-CD1 3.34Å; V701-I829 HydrophobicContact CG1-CG2 4.21Å; V701-I829 HydrophobicContact CG2-CD1 3.41Å; V701-I829 VanDerWaalsContact CG2-CD1 3.41Å; F705-I829 HydrophobicContact CE2-CB 4.49Å; F705-I829 HydrophobicContact CE2-CG2 3.61Å; F705-I829 HydrophobicContact CZ-CG2 3.87Å; P826-I829 PolarHBondContact O-N 2.96Å; P827-I829 PolarHBondContact O-N 3.23Å; P827-I829 VanDerWaalsContact O-N 3.16Å; I829-D831 VanDerWaalsContact C-N 3.34Å; I829-D831 PolarHBondContact O-N 3.48Å; I829-R832 PolarHBondContact O-N 2.97Å; I829-S833 WeakPolarHBondContact O-CB 3.47Å; I829-S833 PolarHBondContact O-N 3.38Å; I829-S833 PolarHBondContact O-OG 3.13Å; I829-S833 VanDerWaalsContact O-CB 3.29Å |
| 830 | V | 61.5 | Low | 63.6 | Low | 60 Ų | 60 | 82.5 Ų | 82.5 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 177.2 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | P826 P827 R832 S833 F834 | P826-V830 VanDerWaalsContact O-CG2 3.27Å; P826-V830 WeakPolarHBondContact O-CG2 3.45Å; P826-V830 PolarHBondContact O-N 3.35Å; P827-V830 PolarHBondContact O-N 3.43Å; V830-R832 VanDerWaalsContact C-N 3.32Å; V830-R832 PolarHBondContact O-N 3.06Å; V830-S833 PolarHBondContact O-N 2.99Å; V830-F834 WeakPolarHBondContact O-CB 3.47Å; V830-F834 PolarHBondContact O-N 3.38Å |
| 831 | D | 59.4 | Low | 62.2 | Low | 117 Ų | 117 | 84.5 Ų | 84.5 | 63% | 0.626 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60.3 | -41.5 | 178.5 | -79.3 | -14 | 0 | 0 | 0 | 112.1 | P827 I829 V835 | P827-D831 PolarHBondContact O-N 3.17Å; I829-D831 VanDerWaalsContact C-N 3.34Å; I829-D831 PolarHBondContact O-N 3.48Å; D831-V835 WeakPolarHBondContact O-CB 3.34Å; D831-V835 WeakPolarHBondContact O-CG2 3.43Å; D831-V835 PolarHBondContact O-N 3.18Å |
| 832 | R | 57.7 | Low | 60.8 | Low | 195 Ų | 195 | 89.5 Ų | 89.5 | 74% | 0.736 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -72.6 | -34.8 | 177.5 | -77.9 | -169.6 | 174 | -172 | 0.1 | 113.3 | I829 V830 V835 L836 | I829-R832 PolarHBondContact O-N 2.97Å; V830-R832 VanDerWaalsContact C-N 3.32Å; V830-R832 PolarHBondContact O-N 3.06Å; R832-V835 PolarHBondContact O-N 3Å; R832-L836 WeakPolarHBondContact O-CG 3.22Å; R832-L836 PolarHBondContact O-N 2.75Å; R832-L836 WeakPolarHBondContact O-CB 3.43Å |
| 833 | S | 53.5 | Low | 59.6 | Low | 42 Ų | 42 | 94.2 Ų | 94.2 | 29% | 0.294 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.2 | -41.4 | 178.9 | -53.9 | 0 | 0 | 0 | 0 | 110.1 | I829 V830 V835 L836 Y837 | I829-S833 WeakPolarHBondContact O-CB 3.47Å; I829-S833 PolarHBondContact O-N 3.38Å; I829-S833 PolarHBondContact O-OG 3.13Å; I829-S833 VanDerWaalsContact O-CB 3.29Å; V830-S833 PolarHBondContact O-N 2.99Å; S833-V835 VanDerWaalsContact C-N 3.31Å; S833-V835 PolarHBondContact O-N 3.08Å; S833-L836 CarbonylContact O-C 3.6Å; S833-L836 PolarHBondContact O-N 3.18Å; S833-L836 VanDerWaalsContact O-N 3.17Å; S833-Y837 VanDerWaalsContact O-CB 3.26Å; S833-Y837 WeakPolarHBondContact O-CB 3.43Å; S833-Y837 PolarHBondContact O-N 2.75Å |
| 834 | F | 46.4 | Very low | 58.3 | Low | 136 Ų | 136 | 96.8 Ų | 96.8 | 60% | 0.596 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.9 | -32 | 176.7 | -133.9 | -92.9 | 0 | 0 | 0 | 112.7 | V830 N838 | V830-F834 WeakPolarHBondContact O-CB 3.47Å; V830-F834 PolarHBondContact O-N 3.38Å; F834-N838 WeakPolarHBondContact CD1-ND2 3.49Å; F834-N838 PolarHBondContact O-N 2.9Å; F834-N838 VanDerWaalsContact O-N 3.13Å; F834-N838 PolarHBondContact O-ND2 3.1Å |
| 835 | V | 48.2 | Very low | 56.8 | Low | 114 Ų | 114 | 98.1 Ų | 98.1 | 69% | 0.691 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -76.1 | -22.7 | 173.4 | 171.9 | 0 | 0 | 0 | 0 | 112.9 | D831 R832 S833 N838 | D831-V835 WeakPolarHBondContact O-CB 3.34Å; D831-V835 WeakPolarHBondContact O-CG2 3.43Å; D831-V835 PolarHBondContact O-N 3.18Å; R832-V835 PolarHBondContact O-N 3Å; S833-V835 VanDerWaalsContact C-N 3.31Å; S833-V835 PolarHBondContact O-N 3.08Å; V835-N838 VanDerWaalsContact O-OXT 3.06Å |
| 836 | L | 43.5 | Very low | 55.5 | Low | 150 Ų | 150 | 105.6 Ų | 105.6 | 79% | 0.785 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -90.3 | -19.2 | 173.3 | -77.7 | 164.1 | 0 | 0 | 0 | 112.9 | R832 S833 | R832-L836 WeakPolarHBondContact O-CG 3.22Å; R832-L836 PolarHBondContact O-N 2.75Å; R832-L836 WeakPolarHBondContact O-CB 3.43Å; S833-L836 CarbonylContact O-C 3.6Å; S833-L836 PolarHBondContact O-N 3.18Å; S833-L836 VanDerWaalsContact O-N 3.17Å |
| 837 | Y | 44.5 | Very low | 54.4 | Low | 185 Ų | 185 | 110.8 Ų | 110.8 | 73% | 0.725 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -92.2 | -24.7 | -179.9 | -146.9 | -91.7 | 0 | 0 | 0 | 113 | S833 | S833-Y837 VanDerWaalsContact O-CB 3.26Å; S833-Y837 WeakPolarHBondContact O-CB 3.43Å; S833-Y837 PolarHBondContact O-N 2.75Å |
| 838 | N | 34.1 | Very low | 53.3 | Low | 166 Ų | 166 | 116.9 Ų | 116.9 | 89% | 0.888 | 58% | 0.576 | S | S | * | * | trans | -90.8 | 0 | 162 | -71.7 | -53.7 | 0 | 0 | 0 | 110.1 | F834 V835 | F834-N838 WeakPolarHBondContact CD1-ND2 3.49Å; F834-N838 PolarHBondContact O-N 2.9Å; F834-N838 VanDerWaalsContact O-N 3.13Å; F834-N838 PolarHBondContact O-ND2 3.1Å; V835-N838 VanDerWaalsContact O-OXT 3.06Å |
Retrieved 838 of 838 residues in 812.7 ms
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