| 1 | M | 34.6 | Very low | 33.6 | Very low | 236 Ų | 236 | 139.2 Ų | 139.2 | 100% | 1.163 | 78% | 0.778 | S | S | * | * | | | | 0 | 120.1 | 0 | -77.4 | 153.8 | 108.8 | 0 | 0 | 108.9 | | |
| 2 | T | 37 | Very low | 33.1 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | | | trans | 40.1 | 106.2 | 155 | 52.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 3 | S | 34.4 | Very low | 32.9 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | | | | 86.9 | 113.3 | 62.7 | -176.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 4 | S | 36.7 | Very low | 32.5 | Very low | 90 Ų | 90 | 144.3 Ų | 144.3 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | | | | 144.2 | 104.9 | 117.6 | -88.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 5 | R | 33.9 | Very low | 32.2 | Very low | 202 Ų | 202 | 140.8 Ų | 140.8 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | | 102.6 | 93.9 | 84.9 | -88.2 | 179.3 | -173.8 | -169.8 | 3.1 | 109.8 | | |
| 6 | K | 35.5 | Very low | 32 | Very low | 213 Ų | 213 | 140.3 Ų | 140.3 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | | | trans | -85.3 | 116.8 | 147.8 | -70.7 | -178.9 | 178.5 | 177.3 | 0 | 106.5 | | |
| 7 | F | 31.1 | Very low | 31.8 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 72% | 0.715 | 80% | 0.802 | S | S | * | * | | | trans | -87.2 | 119.1 | 170.3 | -118.6 | -102.6 | 0 | 0 | 0 | 107.8 | | |
| 8 | V | 32.1 | Very low | 31.8 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | | | | 46.4 | 131.7 | 96.9 | -143.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 9 | S | 33 | Very low | 31.7 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | | | cis | 176.5 | 151.2 | 39 | -165.4 | 0 | 0 | 0 | 0 | 104 | | |
| 10 | G | 30.7 | Very low | 31.6 | Very low | 60 Ų | 60 | 148 Ų | 148 | 62% | 0.619 | 80% | 0.803 | S | S | * | * | | | cis | 158 | 161.9 | 17.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 11 | S | 30.8 | Very low | 31.5 | Very low | 104 Ų | 104 | 146.4 Ų | 146.4 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | trans | 76.5 | 84.7 | 155.9 | 0.2 | 0 | 0 | 0 | 0 | 118.3 | | |
| 12 | A | 27.2 | Very low | 31.3 | Very low | 95 Ų | 95 | 144.1 Ų | 144.1 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -62.4 | 127.4 | 141.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 13 | W | 31.2 | Very low | 31.2 | Very low | 234 Ų | 234 | 143.1 Ų | 143.1 | 89% | 0.886 | 79% | 0.788 | S | S | * | * | | | trans | -135.7 | 98.3 | 159.2 | -81.5 | 94.2 | 0 | 0 | 0 | 108.3 | | |
| 14 | L | 26.2 | Very low | 31.1 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | | | trans | -69 | 153.8 | 156.9 | -93.2 | 131.6 | 0 | 0 | 0 | 109.5 | | |
| 15 | A | 28.2 | Very low | 31.1 | Very low | 92 Ų | 92 | 149.2 Ų | 149.2 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | trans | 75.2 | 102.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 16 | C | 29.2 | Very low | 31.3 | Very low | 132 Ų | 132 | 151.3 Ų | 151.3 | 89% | 0.892 | 81% | 0.806 | S | S | * | * | | | | 179.3 | 101.9 | 113.7 | -109.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 17 | W | 29.6 | Very low | 31.6 | Very low | 242 Ų | 242 | 152.1 Ų | 152.1 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | | | trans | -98.4 | 121.9 | 170 | -151.7 | -60.3 | 0 | 0 | 0 | 107.9 | Q19 | W17-Q19 PolarHBondContact O-N 3.01Š|
| 18 | P | 31.4 | Very low | 32.3 | Very low | 115 Ų | 115 | 149.4 Ų | 149.4 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | | | trans | -78.9 | 111.8 | 166.3 | -5.8 | 23.3 | 0 | 0 | 0 | 108.5 | E20 | P18-E20 PolarHBondContact O-N 3.32Š|
| 19 | Q | 29.1 | Very low | 32.9 | Very low | 179 Ų | 179 | 148.4 Ų | 148.4 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | | | trans | -81.1 | 80.9 | -179.6 | -178.1 | 155.6 | -10.8 | 0 | 0 | 110.4 | W17 | W17-Q19 PolarHBondContact O-N 3.01Š|
| 20 | E | 29.9 | Very low | 33.4 | Very low | 180 Ų | 180 | 145.9 Ų | 145.9 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | | | trans | -160.8 | 68.3 | 177.8 | -128 | 166.9 | -160.9 | 0 | 0 | 113.1 | P18 | P18-E20 PolarHBondContact O-N 3.32Š|
| 21 | S | 30.6 | Very low | 34.3 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | -159.4 | 30.3 | 171.1 | -67.6 | 0 | 0 | 0 | 0 | 114.5 | S23 | S21-S23 PolarHBondContact O-N 3.17Å; S21-S23 VanDerWaalsContact O-N 3.1Å |
| 22 | H | 30 | Very low | 35.2 | Very low | 189 Ų | 189 | 149.7 Ų | 149.7 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 78.3 | 172.1 | -83.8 | -95.1 | 0 | 0 | 0 | 110.5 | | |
| 23 | S | 34 | Very low | 36.2 | Very low | 112 Ų | 112 | 150.9 Ų | 150.9 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -170.1 | -2.9 | 158.3 | -89.6 | 0 | 0 | 0 | 0 | 117.1 | S21 | S21-S23 PolarHBondContact O-N 3.17Å; S21-S23 VanDerWaalsContact O-N 3.1Å |
| 24 | Y | 33.1 | Very low | 36.9 | Very low | 216 Ų | 216 | 147.3 Ų | 147.3 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | | | trans | -127.3 | 49.3 | -176.2 | -87.4 | -87.6 | 0 | 0 | 0 | 113.9 | | |
| 25 | S | 35.9 | Very low | 38.3 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | | | trans | -116.1 | 15.5 | -176.1 | -130.1 | 0 | 0 | 0 | 0 | 116.2 | | |
| 26 | R | 39.2 | Very low | 39.3 | Very low | 246 Ų | 246 | 141.5 Ų | 141.5 | 93% | 0.928 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -100.2 | 5.5 | -177.1 | -70.8 | -163.2 | -164.6 | -160 | 5.8 | 116.7 | | |
| 27 | R | 41.4 | Very low | 40.5 | Very low | 230 Ų | 230 | 137.7 Ų | 137.7 | 87% | 0.868 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -119.8 | 9.4 | -176.5 | -93.1 | -169.7 | -93.5 | -143.2 | -3.7 | 115.9 | | |
| 28 | L | 46.5 | Very low | 41.7 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 56% | 0.56 | 64% | 0.639 | S | S | * | * | | | trans | -104.6 | -0.3 | -176.2 | -77.1 | 162.3 | 0 | 0 | 0 | 118.6 | A30 | L28-A30 VanDerWaalsContact C-N 3.32Å; L28-A30 PolarHBondContact O-N 3.11Å |
| 29 | P | 43.5 | Very low | 42.7 | Very low | 93 Ų | 93 | 125.6 Ų | 125.6 | 60% | 0.604 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.8 | -19.2 | -179.9 | 27.9 | -31.8 | 0 | 0 | 0 | 114 | | |
| 30 | A | 44.3 | Very low | 43.8 | Very low | 60 Ų | 60 | 125 Ų | 125 | 50% | 0.496 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -73.4 | -35.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L28 W34 | L28-A30 VanDerWaalsContact C-N 3.32Å; L28-A30 PolarHBondContact O-N 3.11Å; A30-W34 PolarHBondContact O-N 3.17Å |
| 31 | L | 49.4 | Very low | 45 | Very low | 91 Ų | 91 | 123.7 Ų | 123.7 | 48% | 0.476 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -74.6 | -35.4 | -174.3 | -96.1 | 147 | 0 | 0 | 0 | 113 | W34 A35 | L31-W34 PolarHBondContact O-N 2.78Å; L31-A35 PolarHBondContact O-N 3.26Å; L31-A35 VanDerWaalsContact O-N 3.16Å |
| 32 | E | 48.8 | Very low | 46.2 | Very low | 153 Ų | 153 | 121.6 Ų | 121.6 | 72% | 0.715 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.3 | -40.2 | 177.9 | -65.2 | -169.8 | 156.3 | 0 | 0 | 111.5 | W34 A35 E36 | E32-W34 PolarHBondContact O-N 3.43Å; E32-A35 PolarHBondContact O-N 3.07Å; E32-E36 PolarHBondContact O-N 3.11Å |
| 33 | H | 49.6 | Very low | 47.3 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 56% | 0.556 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.9 | -38.8 | 177.4 | -161.8 | 67.6 | 0 | 0 | 0 | 112.3 | E36 I37 | H33-E36 PolarHBondContact O-N 3.17Å; H33-I37 VanDerWaalsContact CD2-CD1 3.47Å; H33-I37 WeakPolarHBondContact CD2-CD1 3.27Å; H33-I37 WeakPolarHBondContact O-CD1 3.47Å; H33-I37 VanDerWaalsContact O-CG1 3.27Å; H33-I37 WeakPolarHBondContact O-CG1 3.47Å; H33-I37 PolarHBondContact O-N 3.36Å; H33-I37 VanDerWaalsContact O-N 3.12Å |
| 34 | W | 45.9 | Very low | 48.7 | Very low | 159 Ų | 159 | 122.1 Ų | 122.1 | 60% | 0.602 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70.2 | -37.1 | 178.6 | -88.1 | 103.3 | 0 | 0 | 0 | 113.2 | A30 L31 E32 E36 I37 T38 | A30-W34 PolarHBondContact O-N 3.17Å; L31-W34 PolarHBondContact O-N 2.78Å; E32-W34 PolarHBondContact O-N 3.43Å; W34-E36 VanDerWaalsContact C-N 3.28Å; W34-E36 PolarHBondContact O-N 3.1Å; W34-I37 PolarHBondContact O-N 3.09Å; W34-T38 PolarHBondContact O-N 3.28Å; W34-T38 PolarHBondContact O-OG1 3.31Å |
| 35 | A | 55.1 | Low | 50.3 | Low | 34 Ų | 34 | 116.5 Ų | 116.5 | 28% | 0.281 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.4 | -39.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L31 E32 L39 | L31-A35 PolarHBondContact O-N 3.26Å; L31-A35 VanDerWaalsContact O-N 3.16Å; E32-A35 PolarHBondContact O-N 3.07Å; A35-L39 PolarHBondContact O-N 3.47Å |
| 36 | E | 48.8 | Very low | 51.9 | Low | 95 Ų | 95 | 114.9 Ų | 114.9 | 44% | 0.444 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.1 | -40.6 | 176.8 | -160.7 | -179.7 | 169.2 | 0 | 0 | 112.4 | E32 H33 W34 T38 L39 R40 | E32-E36 PolarHBondContact O-N 3.11Å; H33-E36 PolarHBondContact O-N 3.17Å; W34-E36 VanDerWaalsContact C-N 3.28Å; W34-E36 PolarHBondContact O-N 3.1Å; E36-T38 PolarHBondContact O-N 3.25Å; E36-L39 PolarHBondContact O-N 3.36Å; E36-R40 WeakPolarHBondContact O-CG 3.42Å; E36-R40 PolarHBondContact O-N 3.41Å; E36-R40 VanDerWaalsContact O-N 3.09Å; E36-R40 IonicContact OE1-CZ 3.46Å; E36-R40 IonicContact OE1-NE 3.26Å; E36-R40 PolarHBondContact OE1-NE 3.44Å; E36-R40 IonicContact OE1-NH2 2.78Å; E36-R40 PolarHBondContact OE1-NH2 3.12Å |
| 37 | I | 55.4 | Low | 53.3 | Low | 52 Ų | 52 | 105.7 Ų | 105.7 | 27% | 0.267 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 176.7 | -68.4 | 164.3 | 0 | 0 | 0 | 111.2 | H33 W34 L39 R40 Q41 | H33-I37 VanDerWaalsContact CD2-CD1 3.47Å; H33-I37 WeakPolarHBondContact CD2-CD1 3.27Å; H33-I37 WeakPolarHBondContact O-CD1 3.47Å; H33-I37 VanDerWaalsContact O-CG1 3.27Å; H33-I37 WeakPolarHBondContact O-CG1 3.47Å; H33-I37 PolarHBondContact O-N 3.36Å; H33-I37 VanDerWaalsContact O-N 3.12Å; W34-I37 PolarHBondContact O-N 3.09Å; I37-L39 VanDerWaalsContact C-N 3.32Å; I37-L39 PolarHBondContact O-N 3.49Å; I37-R40 PolarHBondContact O-N 3.45Å; I37-Q41 PolarHBondContact O-N 3.31Å; I37-Q41 VanDerWaalsContact O-N 3.16Å |
| 38 | T | 53.7 | Low | 54.6 | Low | 26 Ų | 26 | 95.2 Ų | 95.2 | 16% | 0.16 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -68.5 | -33.4 | -175.7 | -36.9 | 0 | 0 | 0 | 0 | 111.6 | W34 E36 H42 A48 C51 | W34-T38 PolarHBondContact O-N 3.28Å; W34-T38 PolarHBondContact O-OG1 3.31Å; E36-T38 PolarHBondContact O-N 3.25Å; T38-H42 PolarHBondContact O-N 3.42Å; T38-A48 HydrophobicContact CG2-CB 4.46Å; T38-C51 HydrophobicContact CG2-CB 3.8Å |
| 39 | L | 52.3 | Low | 55.7 | Low | 77 Ų | 77 | 95.1 Ų | 95.1 | 40% | 0.403 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -75.5 | -32.5 | 175.3 | -81.5 | 161.9 | 0 | 0 | 0 | 113 | A35 E36 I37 | A35-L39 PolarHBondContact O-N 3.47Å; E36-L39 PolarHBondContact O-N 3.36Å; I37-L39 VanDerWaalsContact C-N 3.32Å; I37-L39 PolarHBondContact O-N 3.49Å |
| 40 | R | 52.9 | Low | 57.3 | Low | 167 Ų | 167 | 95.1 Ų | 95.1 | 63% | 0.63 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -74.8 | -30.1 | 178.4 | -74.6 | -174.8 | -171.1 | -92 | 2.1 | 113.4 | E36 I37 | E36-R40 WeakPolarHBondContact O-CG 3.42Å; E36-R40 PolarHBondContact O-N 3.41Å; E36-R40 VanDerWaalsContact O-N 3.09Å; E36-R40 IonicContact OE1-CZ 3.46Å; E36-R40 IonicContact OE1-NE 3.26Å; E36-R40 PolarHBondContact OE1-NE 3.44Å; E36-R40 IonicContact OE1-NH2 2.78Å; E36-R40 PolarHBondContact OE1-NH2 3.12Å; I37-R40 PolarHBondContact O-N 3.45Å |
| 41 | Q | 55 | Low | 58.6 | Low | 152 Ų | 152 | 94.3 Ų | 94.3 | 71% | 0.71 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -88 | -26.2 | -177.2 | -75 | -172.2 | -20.2 | 0 | 0 | 114.3 | I37 | I37-Q41 PolarHBondContact O-N 3.31Å; I37-Q41 VanDerWaalsContact O-N 3.16Å |
| 42 | H | 54.6 | Low | 59.7 | Low | 70 Ų | 70 | 92.7 Ų | 92.7 | 32% | 0.324 | 46% | 0.457 | S | S | . | . | | | trans | -108.3 | 108 | -176.6 | -71.6 | -74.1 | 0 | 0 | 0 | 112.1 | T38 S44 V47 A48 | T38-H42 PolarHBondContact O-N 3.42Å; H42-S44 PolarHBondContact O-N 3.44Å; H42-V47 HydrophobicContact CB-CB 4.25Å; H42-V47 HydrophobicContact CB-CG1 4.43Å; H42-V47 VanDerWaalsContact CE1-CG1 3.43Å; H42-V47 WeakPolarHBondContact CE1-CG1 3.43Å; H42-V47 WeakPolarHBondContact ND1-CG1 3.36Å; H42-A48 HydrophobicContact CB-CB 4.47Å |
| 43 | R | 55.1 | Low | 61 | Low | 264 Ų | 264 | 89.6 Ų | 89.6 | 100% | 0.996 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -60.3 | -10.3 | 171 | -90.4 | -175 | 176.1 | 164.4 | -0.2 | 114.5 | | |
| 44 | S | 62.2 | Low | 62.2 | Low | 49 Ų | 49 | 90.5 Ų | 90.5 | 34% | 0.343 | 44% | 0.444 | S | S | . | . | | | trans | -114.3 | 119.7 | 178.1 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | H42 A46 V47 A48 | H42-S44 PolarHBondContact O-N 3.44Å; S44-A46 PolarHBondContact O-N 3.33Å; S44-A46 PolarHBondContact OG-N 3.16Å; S44-V47 PolarHBondContact O-N 3.26Å; S44-V47 VanDerWaalsContact O-N 3.07Å; S44-A48 PolarHBondContact O-N 3.31Å |
| 45 | P | 67.8 | Low | 63.3 | Low | 98 Ų | 98 | 86.1 Ų | 86.1 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61 | -25.7 | 176.8 | 24.8 | -33.1 | 0 | 0 | 0 | 112.1 | V47 A48 M49 | P45-V47 VanDerWaalsContact C-N 3.35Å; P45-V47 PolarHBondContact O-N 3.41Å; P45-A48 PolarHBondContact O-N 3.25Å; P45-M49 WeakPolarHBondContact O-CB 3.42Å; P45-M49 VanDerWaalsContact O-CG 3.24Å; P45-M49 WeakPolarHBondContact O-CG 3.24Å; P45-M49 PolarHBondContact O-N 2.98Å |
| 46 | A | 67.7 | Low | 64.1 | Low | 69 Ų | 69 | 87.1 Ų | 87.1 | 57% | 0.57 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.3 | -39 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S44 L50 | S44-A46 PolarHBondContact O-N 3.33Å; S44-A46 PolarHBondContact OG-N 3.16Å; A46-L50 WeakPolarHBondContact O-CB 3.42Å; A46-L50 PolarHBondContact O-N 3.49Å |
| 47 | V | 69.9 | Low | 65.1 | Low | 54 Ų | 54 | 89.1 Ų | 89.1 | 33% | 0.327 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -73.2 | -41.3 | 179.1 | -174.9 | 0 | 0 | 0 | 0 | 110.4 | H42 S44 P45 M49 L50 C51 | H42-V47 HydrophobicContact CB-CB 4.25Å; H42-V47 HydrophobicContact CB-CG1 4.43Å; H42-V47 VanDerWaalsContact CE1-CG1 3.43Å; H42-V47 WeakPolarHBondContact CE1-CG1 3.43Å; H42-V47 WeakPolarHBondContact ND1-CG1 3.36Å; S44-V47 PolarHBondContact O-N 3.26Å; S44-V47 VanDerWaalsContact O-N 3.07Å; P45-V47 VanDerWaalsContact C-N 3.35Å; P45-V47 PolarHBondContact O-N 3.41Å; V47-M49 VanDerWaalsContact C-N 3.31Å; V47-M49 PolarHBondContact O-N 3.05Å; V47-L50 PolarHBondContact O-N 3.46Å; V47-L50 VanDerWaalsContact O-N 3.17Å; V47-C51 WeakPolarHBondContact O-CB 3.42Å; V47-C51 PolarHBondContact O-N 3.29Å; V47-C51 PolarHBondContact O-SG 3.49Å |
| 48 | A | 67.8 | Low | 65.7 | Low | 10 Ų | 10 | 92.2 Ų | 92.2 | 8% | 0.083 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T38 H42 S44 P45 C51 F52 | T38-A48 HydrophobicContact CG2-CB 4.46Å; H42-A48 HydrophobicContact CB-CB 4.47Å; S44-A48 PolarHBondContact O-N 3.31Å; P45-A48 PolarHBondContact O-N 3.25Å; A48-C51 PolarHBondContact O-N 3.3Å; A48-F52 VanDerWaalsContact O-CB 3.29Å; A48-F52 WeakPolarHBondContact O-CB 3.19Å; A48-F52 PolarHBondContact O-N 2.64Å |
| 49 | M | 71 | Confident | 66.4 | Low | 104 Ų | 104 | 95.6 Ų | 95.6 | 51% | 0.512 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 175.3 | -74.4 | -65.7 | -70.7 | 0 | 0 | 112.5 | P45 V47 N53 | P45-M49 WeakPolarHBondContact O-CB 3.42Å; P45-M49 VanDerWaalsContact O-CG 3.24Å; P45-M49 WeakPolarHBondContact O-CG 3.24Å; P45-M49 PolarHBondContact O-N 2.98Å; V47-M49 VanDerWaalsContact C-N 3.31Å; V47-M49 PolarHBondContact O-N 3.05Å; M49-N53 WeakPolarHBondContact O-CB 3.29Å; M49-N53 PolarHBondContact O-N 3.47Å |
| 50 | L | 75.1 | Confident | 67 | Low | 94 Ų | 94 | 96.3 Ų | 96.3 | 49% | 0.492 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 177.2 | -168.3 | 73 | 0 | 0 | 0 | 111.4 | A46 V47 N53 Y54 W196 | A46-L50 WeakPolarHBondContact O-CB 3.42Å; A46-L50 PolarHBondContact O-N 3.49Å; V47-L50 PolarHBondContact O-N 3.46Å; V47-L50 VanDerWaalsContact O-N 3.17Å; L50-N53 PolarHBondContact O-N 3.07Å; L50-Y54 WeakPolarHBondContact O-CB 3.3Å; L50-Y54 PolarHBondContact O-N 3.18Å; L50-W196 HydrophobicContact CD1-CH2 4.39Å; L50-W196 HydrophobicContact CD2-CH2 4.33Å; L50-W196 HydrophobicContact CD2-CZ3 4.1Å |
| 51 | C | 73.4 | Confident | 67.4 | Low | 42 Ų | 42 | 90.9 Ų | 90.9 | 28% | 0.284 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 174.9 | -69.8 | 0 | 0 | 0 | 0 | 111.2 | T38 V47 A48 Y54 T55 | T38-C51 HydrophobicContact CG2-CB 3.8Å; V47-C51 WeakPolarHBondContact O-CB 3.42Å; V47-C51 PolarHBondContact O-N 3.29Å; V47-C51 PolarHBondContact O-SG 3.49Å; A48-C51 PolarHBondContact O-N 3.3Å; C51-Y54 PolarHBondContact O-N 3.39Å; C51-T55 WeakPolarHBondContact O-CB 3.44Å; C51-T55 PolarHBondContact O-N 3.16Å; C51-T55 PolarHBondContact O-OG1 3.41Å |
| 52 | F | 71.7 | Confident | 67.5 | Low | 58 Ų | 58 | 86.3 Ų | 86.3 | 25% | 0.254 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 176.1 | -179 | -99.1 | 0 | 0 | 0 | 111.9 | A48 Y54 T55 V56 V300 | A48-F52 VanDerWaalsContact O-CB 3.29Å; A48-F52 WeakPolarHBondContact O-CB 3.19Å; A48-F52 PolarHBondContact O-N 2.64Å; F52-Y54 VanDerWaalsContact C-N 3.32Å; F52-Y54 PolarHBondContact O-N 3.39Å; F52-T55 PolarHBondContact O-N 2.98Å; F52-V56 HydrophobicContact CD1-CG2 4.12Å; F52-V56 HydrophobicContact CD2-CG2 4.24Å; F52-V56 HydrophobicContact CE1-CG2 3.7Å; F52-V56 HydrophobicContact CE2-CG2 3.84Å; F52-V56 HydrophobicContact CG-CG2 4.37Å; F52-V56 HydrophobicContact CZ-CG2 3.55Å; F52-V56 WeakPolarHBondContact O-CB 3.33Å; F52-V56 VanDerWaalsContact O-CG2 3.3Å; F52-V56 WeakPolarHBondContact O-CG2 3.39Å; F52-V56 PolarHBondContact O-N 3.27Å; F52-V300 HydrophobicContact CZ-CG2 3.92Å |
| 53 | N | 76.2 | Confident | 67.6 | Low | 87 Ų | 87 | 85.9 Ų | 85.9 | 47% | 0.465 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 177.5 | -159.9 | -85.3 | 0 | 0 | 0 | 111.1 | M49 L50 R57 | M49-N53 WeakPolarHBondContact O-CB 3.29Å; M49-N53 PolarHBondContact O-N 3.47Å; L50-N53 PolarHBondContact O-N 3.07Å; N53-R57 VanDerWaalsContact O-CB 3.29Å; N53-R57 WeakPolarHBondContact O-CB 3.31Å; N53-R57 WeakPolarHBondContact O-CG 3.45Å; N53-R57 PolarHBondContact O-N 3.35Å; N53-R57 WeakPolarHBondContact OD1-CD 3.48Å |
| 54 | Y | 73.6 | Confident | 67.6 | Low | 139 Ų | 139 | 77.1 Ų | 77.1 | 55% | 0.545 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 176.7 | -172.4 | -95.4 | 0 | 0 | 0 | 111.8 | L50 C51 F52 R57 F58 | L50-Y54 WeakPolarHBondContact O-CB 3.3Å; L50-Y54 PolarHBondContact O-N 3.18Å; C51-Y54 PolarHBondContact O-N 3.39Å; F52-Y54 VanDerWaalsContact C-N 3.32Å; F52-Y54 PolarHBondContact O-N 3.39Å; Y54-R57 PolarHBondContact O-N 3.31Å; Y54-F58 VanDerWaalsContact O-CB 3.32Å; Y54-F58 WeakPolarHBondContact O-CB 3.47Å; Y54-F58 PolarHBondContact O-N 2.95Å |
| 55 | T | 70.7 | Confident | 67 | Low | 68 Ų | 68 | 79.9 Ų | 79.9 | 42% | 0.417 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 179.5 | -59.9 | 0 | 0 | 0 | 0 | 112 | C51 F52 R57 F58 L59 | C51-T55 WeakPolarHBondContact O-CB 3.44Å; C51-T55 PolarHBondContact O-N 3.16Å; C51-T55 PolarHBondContact O-OG1 3.41Å; F52-T55 PolarHBondContact O-N 2.98Å; T55-R57 VanDerWaalsContact C-N 3.35Å; T55-F58 PolarHBondContact O-N 3.49Å; T55-L59 HydrophobicContact CG2-CD1 3.97Å; T55-L59 HydrophobicContact CG2-CG 4.39Å; T55-L59 WeakPolarHBondContact O-CB 3.17Å; T55-L59 VanDerWaalsContact O-CG 3.31Å; T55-L59 WeakPolarHBondContact O-CG 3.34Å; T55-L59 PolarHBondContact O-N 3.48Å |
| 56 | V | 72.1 | Confident | 66.1 | Low | 55 Ų | 55 | 77 Ų | 77 | 33% | 0.333 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 175.9 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | F52 L59 V60 | F52-V56 HydrophobicContact CD1-CG2 4.12Å; F52-V56 HydrophobicContact CD2-CG2 4.24Å; F52-V56 HydrophobicContact CE1-CG2 3.7Å; F52-V56 HydrophobicContact CE2-CG2 3.84Å; F52-V56 HydrophobicContact CG-CG2 4.37Å; F52-V56 HydrophobicContact CZ-CG2 3.55Å; F52-V56 WeakPolarHBondContact O-CB 3.33Å; F52-V56 VanDerWaalsContact O-CG2 3.3Å; F52-V56 WeakPolarHBondContact O-CG2 3.39Å; F52-V56 PolarHBondContact O-N 3.27Å; V56-L59 PolarHBondContact O-N 2.85Å; V56-V60 HydrophobicContact CG1-CG2 4.26Å; V56-V60 VanDerWaalsContact O-CB 3.32Å; V56-V60 WeakPolarHBondContact O-CB 3.44Å; V56-V60 WeakPolarHBondContact O-CG2 2.95Å; V56-V60 PolarHBondContact O-N 3.17Å |
| 57 | R | 69.1 | Low | 65.2 | Low | 137 Ų | 137 | 82.8 Ų | 82.8 | 52% | 0.517 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 174.5 | -75.3 | -179.7 | 95.9 | 94.8 | 6 | 111.4 | N53 Y54 T55 V60 S61 | N53-R57 VanDerWaalsContact O-CB 3.29Å; N53-R57 WeakPolarHBondContact O-CB 3.31Å; N53-R57 WeakPolarHBondContact O-CG 3.45Å; N53-R57 PolarHBondContact O-N 3.35Å; N53-R57 WeakPolarHBondContact OD1-CD 3.48Å; Y54-R57 PolarHBondContact O-N 3.31Å; T55-R57 VanDerWaalsContact C-N 3.35Å; R57-V60 PolarHBondContact O-N 3.02Å; R57-S61 VanDerWaalsContact O-CB 3.23Å; R57-S61 WeakPolarHBondContact O-CB 3.39Å; R57-S61 PolarHBondContact O-N 3.09Å; R57-S61 PolarHBondContact O-OG 3.29Å |
| 58 | F | 68.6 | Low | 64.1 | Low | 116 Ų | 116 | 86.1 Ų | 86.1 | 51% | 0.509 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.2 | -51.5 | 178.3 | -170.8 | -95.9 | 0 | 0 | 0 | 110.7 | Y54 T55 V60 S61 V62 | Y54-F58 VanDerWaalsContact O-CB 3.32Å; Y54-F58 WeakPolarHBondContact O-CB 3.47Å; Y54-F58 PolarHBondContact O-N 2.95Å; T55-F58 PolarHBondContact O-N 3.49Å; F58-V60 VanDerWaalsContact C-N 3.3Å; F58-V60 PolarHBondContact O-N 2.88Å; F58-S61 CarbonylContact O-C 3.54Å; F58-S61 WeakPolarHBondContact O-CA 3.21Å; F58-S61 WeakPolarHBondContact O-CB 3.32Å; F58-S61 PolarHBondContact O-N 3.34Å; F58-V62 HydrophobicContact CD1-CG2 3.8Å; F58-V62 HydrophobicContact CE1-CG2 3.61Å; F58-V62 HydrophobicContact CG-CG2 4.47Å; F58-V62 HydrophobicContact CZ-CG2 4.14Å; F58-V62 WeakPolarHBondContact O-CG2 3.29Å; F58-V62 PolarHBondContact O-N 2.86Å |
| 59 | L | 68.2 | Low | 63 | Low | 97 Ų | 97 | 92.8 Ų | 92.8 | 51% | 0.508 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.2 | -29.6 | 179 | -69.8 | 174.7 | 0 | 0 | 0 | 113.9 | T55 V56 P63 | T55-L59 HydrophobicContact CG2-CD1 3.97Å; T55-L59 HydrophobicContact CG2-CG 4.39Å; T55-L59 WeakPolarHBondContact O-CB 3.17Å; T55-L59 VanDerWaalsContact O-CG 3.31Å; T55-L59 WeakPolarHBondContact O-CG 3.34Å; T55-L59 PolarHBondContact O-N 3.48Å; V56-L59 PolarHBondContact O-N 2.85Å; L59-P63 WeakPolarHBondContact O-CD 3.27Å |
| 60 | V | 65 | Low | 61.8 | Low | 93 Ų | 93 | 92 Ų | 92 | 56% | 0.564 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -78.7 | -28.8 | 173 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | V56 R57 F58 P63 | V56-V60 HydrophobicContact CG1-CG2 4.26Å; V56-V60 VanDerWaalsContact O-CB 3.32Å; V56-V60 WeakPolarHBondContact O-CB 3.44Å; V56-V60 WeakPolarHBondContact O-CG2 2.95Å; V56-V60 PolarHBondContact O-N 3.17Å; R57-V60 PolarHBondContact O-N 3.02Å; F58-V60 VanDerWaalsContact C-N 3.3Å; F58-V60 PolarHBondContact O-N 2.88Å; V60-P63 WeakPolarHBondContact O-CD 3.28Å |
| 61 | S | 59.9 | Low | 60.4 | Low | 53 Ų | 53 | 90.8 Ų | 90.8 | 37% | 0.371 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -79.3 | -32.3 | 177.5 | -54.4 | 0 | 0 | 0 | 0 | 112.6 | R57 F58 V64 L65 | R57-S61 VanDerWaalsContact O-CB 3.23Å; R57-S61 WeakPolarHBondContact O-CB 3.39Å; R57-S61 PolarHBondContact O-N 3.09Å; R57-S61 PolarHBondContact O-OG 3.29Å; F58-S61 CarbonylContact O-C 3.54Å; F58-S61 WeakPolarHBondContact O-CA 3.21Å; F58-S61 WeakPolarHBondContact O-CB 3.32Å; F58-S61 PolarHBondContact O-N 3.34Å; S61-V64 CarbonylContact O-C 3.59Å; S61-V64 PolarHBondContact O-N 3.17Å; S61-L65 WeakPolarHBondContact O-CB 3.16Å; S61-L65 WeakPolarHBondContact O-CG 3.32Å; S61-L65 PolarHBondContact O-N 2.88Å |
| 62 | V | 57.8 | Low | 58.8 | Low | 56 Ų | 56 | 91 Ų | 91 | 34% | 0.339 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -54.6 | -48.9 | 178.7 | 169.3 | 0 | 0 | 0 | 0 | 112.6 | F58 V64 L65 S66 | F58-V62 HydrophobicContact CD1-CG2 3.8Å; F58-V62 HydrophobicContact CE1-CG2 3.61Å; F58-V62 HydrophobicContact CG-CG2 4.47Å; F58-V62 HydrophobicContact CZ-CG2 4.14Å; F58-V62 WeakPolarHBondContact O-CG2 3.29Å; F58-V62 PolarHBondContact O-N 2.86Å; V62-V64 VanDerWaalsContact C-N 3.3Å; V62-V64 PolarHBondContact O-N 3.18Å; V62-L65 PolarHBondContact O-N 3.32Å; V62-S66 PolarHBondContact O-N 3.43Å; V62-S66 PolarHBondContact O-OG 2.99Å |
| 63 | P | 55.7 | Low | 57.6 | Low | 60 Ų | 60 | 97 Ų | 97 | 39% | 0.39 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.6 | -20.6 | 176.7 | 24.4 | -30.9 | 0 | 0 | 0 | 113.8 | L59 V60 R67 | L59-P63 WeakPolarHBondContact O-CD 3.27Å; V60-P63 WeakPolarHBondContact O-CD 3.28Å; P63-R67 VanDerWaalsContact O-CG 3.31Å; P63-R67 WeakPolarHBondContact O-CG 3.23Å; P63-R67 PolarHBondContact O-N 2.89Å |
| 64 | V | 56.1 | Low | 56 | Low | 80 Ų | 80 | 97.4 Ų | 97.4 | 49% | 0.485 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -78.4 | -39.7 | 173.4 | 178 | 0 | 0 | 0 | 0 | 110.4 | S61 V62 R67 L68 | S61-V64 CarbonylContact O-C 3.59Å; S61-V64 PolarHBondContact O-N 3.17Å; V62-V64 VanDerWaalsContact C-N 3.3Å; V62-V64 PolarHBondContact O-N 3.18Å; V64-R67 PolarHBondContact O-N 3.32Å; V64-L68 HydrophobicContact CG1-CD1 3.97Å; V64-L68 PolarHBondContact O-N 3.38Å |
| 65 | L | 49.3 | Very low | 54.2 | Low | 107 Ų | 107 | 93.9 Ų | 93.9 | 56% | 0.56 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.9 | -40.7 | 172.8 | -73 | 162.8 | 0 | 0 | 0 | 110.8 | S61 V62 R67 L68 F69 | S61-L65 WeakPolarHBondContact O-CB 3.16Å; S61-L65 WeakPolarHBondContact O-CG 3.32Å; S61-L65 PolarHBondContact O-N 2.88Å; V62-L65 PolarHBondContact O-N 3.32Å; L65-R67 VanDerWaalsContact C-N 3.25Å; L65-R67 PolarHBondContact O-N 2.89Å; L65-L68 PolarHBondContact O-N 3.41Å; L65-F69 WeakPolarHBondContact O-CB 3.39Å; L65-F69 PolarHBondContact O-N 3.2Å |
| 66 | S | 48.5 | Very low | 52.6 | Low | 39 Ų | 39 | 96.6 Ų | 96.6 | 27% | 0.273 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -29 | 172.7 | -59.6 | 0 | 0 | 0 | 0 | 112.9 | V62 N70 | V62-S66 PolarHBondContact O-N 3.43Å; V62-S66 PolarHBondContact O-OG 2.99Å; S66-N70 VanDerWaalsContact O-CB 3.22Å; S66-N70 WeakPolarHBondContact O-CB 3.17Å; S66-N70 PolarHBondContact O-N 3.47Å; S66-N70 VanDerWaalsContact O-N 3.1Å; S66-N70 PolarHBondContact O-ND2 2.82Å |
| 67 | R | 49 | Very low | 50.8 | Low | 190 Ų | 190 | 98.2 Ų | 98.2 | 72% | 0.717 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -79.7 | -38.8 | 173.9 | -73.6 | 179.5 | -160.3 | -170.5 | 4.3 | 112.6 | P63 V64 L65 A71 | P63-R67 VanDerWaalsContact O-CG 3.31Å; P63-R67 WeakPolarHBondContact O-CG 3.23Å; P63-R67 PolarHBondContact O-N 2.89Å; V64-R67 PolarHBondContact O-N 3.32Å; L65-R67 VanDerWaalsContact C-N 3.25Å; L65-R67 PolarHBondContact O-N 2.89Å; R67-A71 WeakPolarHBondContact O-CB 3.39Å; R67-A71 PolarHBondContact O-N 3.32Å |
| 68 | L | 46.5 | Very low | 49.3 | Very low | 124 Ų | 124 | 103.7 Ų | 103.7 | 65% | 0.649 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66 | -40.5 | 173.4 | -103.9 | 114.7 | 0 | 0 | 0 | 111.7 | V64 L65 G72 | V64-L68 HydrophobicContact CG1-CD1 3.97Å; V64-L68 PolarHBondContact O-N 3.38Å; L65-L68 PolarHBondContact O-N 3.41Å; L68-G72 PolarHBondContact O-N 2.85Å |
| 69 | F | 45.7 | Very low | 47.9 | Very low | 150 Ų | 150 | 102.7 Ų | 102.7 | 66% | 0.658 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -74.5 | -30.9 | -179.9 | -148 | -97 | 0 | 0 | 0 | 112.4 | L65 | L65-F69 WeakPolarHBondContact O-CB 3.39Å; L65-F69 PolarHBondContact O-N 3.2Å |
| 70 | N | 45.6 | Very low | 46.3 | Very low | 88 Ų | 88 | 99.2 Ų | 99.2 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -78.7 | -39.9 | 170.6 | -80.6 | -46.7 | 0 | 0 | 0 | 112.7 | S66 G72 R73 S74 | S66-N70 VanDerWaalsContact O-CB 3.22Å; S66-N70 WeakPolarHBondContact O-CB 3.17Å; S66-N70 PolarHBondContact O-N 3.47Å; S66-N70 VanDerWaalsContact O-N 3.1Å; S66-N70 PolarHBondContact O-ND2 2.82Å; N70-G72 VanDerWaalsContact C-N 3.31Å; N70-G72 PolarHBondContact O-N 3Å; N70-R73 PolarHBondContact O-N 3.3Å; N70-S74 PolarHBondContact O-N 2.78Å; N70-S74 PolarHBondContact O-OG 3.32Å |
| 71 | A | 44.8 | Very low | 45.1 | Very low | 67 Ų | 67 | 102.2 Ų | 102.2 | 55% | 0.554 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.8 | -33.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | R67 R73 | R67-A71 WeakPolarHBondContact O-CB 3.39Å; R67-A71 PolarHBondContact O-N 3.32Å; A71-R73 PolarHBondContact O-N 3.3Å |
| 72 | G | 40.8 | Very low | 44.1 | Very low | 47 Ų | 47 | 103.2 Ų | 103.2 | 49% | 0.485 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.8 | -14.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L68 N70 | L68-G72 PolarHBondContact O-N 2.85Å; N70-G72 VanDerWaalsContact C-N 3.31Å; N70-G72 PolarHBondContact O-N 3Å |
| 73 | R | 47 | Very low | 43.3 | Very low | 185 Ų | 185 | 107 Ų | 107 | 70% | 0.698 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -101.8 | -24.5 | -180 | -129.7 | 174.2 | 171.3 | 147.3 | -1.3 | 113.4 | N70 A71 | N70-R73 PolarHBondContact O-N 3.3Å; A71-R73 PolarHBondContact O-N 3.3Å |
| 74 | S | 41.7 | Very low | 42.5 | Very low | 95 Ų | 95 | 108.8 Ų | 108.8 | 66% | 0.664 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -91.4 | -1.2 | 179.9 | 48 | 0 | 0 | 0 | 0 | 115.3 | N70 | N70-S74 PolarHBondContact O-N 2.78Å; N70-S74 PolarHBondContact O-OG 3.32Å |
| 75 | G | 36.9 | Very low | 41.6 | Very low | 64 Ų | 64 | 107.4 Ų | 107.4 | 66% | 0.66 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -102.2 | -7.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 76 | L | 36 | Very low | 41.1 | Very low | 125 Ų | 125 | 108.7 Ų | 108.7 | 65% | 0.654 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -109.1 | 5.6 | -173.9 | -90.1 | 153.4 | 0 | 0 | 0 | 114 | | |
| 77 | S | 35.9 | Very low | 40.7 | Very low | 89 Ų | 89 | 111.1 Ų | 111.1 | 62% | 0.622 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 5.4 | -172.1 | -176.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 78 | R | 37.2 | Very low | 40.3 | Very low | 253 Ų | 253 | 107.3 Ų | 107.3 | 96% | 0.955 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.8 | 3.1 | 177.9 | -144.2 | 171.5 | -179.1 | 179.3 | -0.6 | 116.5 | | |
| 79 | A | 37.9 | Very low | 39.9 | Very low | 94 Ų | 94 | 110.2 Ų | 110.2 | 78% | 0.777 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.9 | 1.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 80 | G | 35.4 | Very low | 39.6 | Very low | 24 Ų | 24 | 106.3 Ų | 106.3 | 25% | 0.247 | 61% | 0.613 | C | S | . | * | S | Bend | trans | -116.8 | -3.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | T84 | G80-T84 PolarHBondContact O-OG1 2.9Š|
| 81 | Q | 39.5 | Very low | 39.4 | Very low | 157 Ų | 157 | 109 Ų | 109 | 73% | 0.734 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 1.1 | -175 | -155.6 | 161.5 | -32.6 | 0 | 0 | 113.7 | | |
| 82 | A | 39.5 | Very low | 39 | Very low | 74 Ų | 74 | 110 Ų | 110 | 61% | 0.612 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -20.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 83 | H | 40.9 | Very low | 38.9 | Very low | 136 Ų | 136 | 112 Ų | 112 | 63% | 0.63 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | -7.4 | -173.3 | -71.2 | -71.2 | 0 | 0 | 0 | 115.2 | | |
| 84 | T | 38.6 | Very low | 38.4 | Very low | 97 Ų | 97 | 109.8 Ų | 109.8 | 60% | 0.595 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -100.4 | -7.1 | 178.1 | 47 | 0 | 0 | 0 | 0 | 113.5 | G80 | G80-T84 PolarHBondContact O-OG1 2.9Å |
| 85 | A | 37.6 | Very low | 38.4 | Very low | 50 Ų | 50 | 110.7 Ų | 110.7 | 41% | 0.413 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -87.9 | -6.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R89 | A85-R89 WeakPolarHBondContact O-CB 3.3Å; A85-R89 PolarHBondContact O-NH1 3.38Å |
| 86 | E | 39.1 | Very low | 38.2 | Very low | 135 Ų | 135 | 114.7 Ų | 114.7 | 63% | 0.631 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -94 | -32.3 | 173.8 | -104.9 | -169.9 | 148.7 | 0 | 0 | 112.7 | A90 | E86-A90 VanDerWaalsContact O-CB 3.22Å; E86-A90 WeakPolarHBondContact O-CB 3.12Å; E86-A90 PolarHBondContact O-N 2.91Å |
| 87 | V | 38.9 | Very low | 38.4 | Very low | 89 Ų | 89 | 112.9 Ų | 112.9 | 54% | 0.539 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -79.4 | -29.6 | -177.3 | 180 | 0 | 0 | 0 | 0 | 112.6 | | |
| 88 | V | 40.2 | Very low | 38.5 | Very low | 111 Ų | 111 | 113.1 Ų | 113.1 | 67% | 0.673 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -18.7 | 175.6 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 89 | R | 38.3 | Very low | 38.6 | Very low | 184 Ų | 184 | 105.8 Ų | 105.8 | 69% | 0.694 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -20.9 | 173.3 | -158.8 | 176.7 | -92.3 | 110.4 | -11.3 | 112.4 | A85 | A85-R89 WeakPolarHBondContact O-CB 3.3Å; A85-R89 PolarHBondContact O-NH1 3.38Å |
| 90 | A | 40.2 | Very low | 38.7 | Very low | 68 Ų | 68 | 109.3 Ų | 109.3 | 56% | 0.562 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -83.6 | -15.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | E86 | E86-A90 VanDerWaalsContact O-CB 3.22Å; E86-A90 WeakPolarHBondContact O-CB 3.12Å; E86-A90 PolarHBondContact O-N 2.91Å |
| 91 | Q | 41 | Very low | 38.8 | Very low | 145 Ų | 145 | 116.6 Ų | 116.6 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -95.4 | -5.6 | 175.2 | -73.2 | -170.9 | -11.7 | 0 | 0 | 113.9 | | |
| 92 | A | 37.6 | Very low | 38.8 | Very low | 87 Ų | 87 | 113.6 Ų | 113.6 | 72% | 0.719 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -95.6 | 10.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 93 | S | 38.7 | Very low | 38.8 | Very low | 90 Ų | 90 | 115.1 Ų | 115.1 | 63% | 0.629 | 69% | 0.686 | S | S | * | * | | | trans | -129.4 | 35.9 | -178.1 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | P95 | S93-P95 WeakPolarHBondContact O-CD 3.45Š|
| 94 | L | 36 | Very low | 38.6 | Very low | 138 Ų | 138 | 119.5 Ų | 119.5 | 72% | 0.723 | 70% | 0.697 | S | S | * | * | | | trans | -90.6 | 109.3 | 168.5 | -91.2 | 151.2 | 0 | 0 | 0 | 108.8 | T96 | L94-T96 PolarHBondContact O-N 2.58Š|
| 95 | P | 40.6 | Very low | 38.8 | Very low | 114 Ų | 114 | 123.2 Ų | 123.2 | 74% | 0.74 | 71% | 0.712 | S | S | * | * | | | trans | -72.4 | 114.2 | 174.6 | 28.8 | -29.8 | 0 | 0 | 0 | 108.9 | S93 A97 | S93-P95 WeakPolarHBondContact O-CD 3.45Å; P95-A97 VanDerWaalsContact C-N 3.32Å; P95-A97 PolarHBondContact O-N 2.85Å |
| 96 | T | 33.8 | Very low | 38.8 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 91% | 0.908 | 73% | 0.734 | S | S | * | * | | | trans | -67.6 | 91.1 | 161.5 | -51.9 | 0 | 0 | 0 | 0 | 108 | L94 | L94-T96 PolarHBondContact O-N 2.58Š|
| 97 | A | 39.7 | Very low | 39 | Very low | 88 Ų | 88 | 132.6 Ų | 132.6 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | trans | -121.3 | 101.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | P95 | P95-A97 VanDerWaalsContact C-N 3.32Å; P95-A97 PolarHBondContact O-N 2.85Å |
| 98 | A | 38.2 | Very low | 39.1 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | -65.6 | 159.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 99 | S | 38.8 | Very low | 39.2 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | | | trans | 85.5 | 112.1 | 164.6 | -123.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 100 | E | 40.7 | Very low | 39.6 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | | | trans | 84.4 | 133.7 | 131.7 | -80.2 | 167.9 | 130.5 | 0 | 0 | 121.9 | | |
| 101 | E | 37.9 | Very low | 39.6 | Very low | 177 Ų | 177 | 138.2 Ų | 138.2 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | | | trans | 67.7 | 92.8 | 155.4 | -75.3 | -169.6 | 110.2 | 0 | 0 | 120.5 | | |
| 102 | A | 38.2 | Very low | 39.9 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | | 60.9 | 149 | 109.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 103 | P | 40.9 | Very low | 40.3 | Very low | 107 Ų | 107 | 142.6 Ų | 142.6 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | | | trans | -114.3 | 171.6 | -150.5 | 34.1 | -17.1 | 0 | 0 | 0 | 114.7 | | |
| 104 | R | 36.7 | Very low | 40.7 | Very low | 227 Ų | 227 | 148.4 Ų | 148.4 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | | | trans | 105.1 | 115.5 | 153.3 | -56.5 | -177 | 176.2 | -161.1 | -2.7 | 116.1 | | |
| 105 | L | 42.1 | Very low | 40.9 | Very low | 176 Ų | 176 | 154.1 Ų | 154.1 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | | | | -176.9 | 137.5 | 110.2 | -96.5 | 154.2 | 0 | 0 | 0 | 111.6 | | |
| 106 | R | 36.7 | Very low | 41 | Very low | 232 Ų | 232 | 152.6 Ų | 152.6 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | | | trans | -71.5 | 161.4 | 174 | -65.8 | -174.7 | 169.4 | 159.7 | -2.8 | 110.4 | | |
| 107 | V | 43.4 | Very low | 41.6 | Very low | 150 Ų | 150 | 150 Ų | 150 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | | | | -174.9 | 145.5 | 123.3 | 151.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 108 | A | 41.5 | Very low | 41.8 | Very low | 84 Ų | 84 | 152.9 Ų | 152.9 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | | | trans | -90 | 166.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 109 | D | 41.5 | Very low | 42.4 | Very low | 135 Ų | 135 | 157.7 Ų | 157.7 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | | | trans | 71.8 | 133.5 | 144.7 | -139.5 | -4.7 | 0 | 0 | 0 | 118.4 | | |
| 110 | V | 47.7 | Very low | 43 | Very low | 136 Ų | 136 | 158.1 Ų | 158.1 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | | | | 175.2 | 105.3 | 126.1 | 159.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 111 | R | 39.4 | Very low | 43.1 | Very low | 215 Ų | 215 | 161.8 Ų | 161.8 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | | | trans | -44.6 | 136.2 | 156.5 | -63.6 | 167.2 | 170.6 | 169 | -2.8 | 110.4 | | |
| 112 | Q | 49 | Very low | 43.4 | Very low | 180 Ų | 180 | 157.5 Ų | 157.5 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | | | | 177.6 | 147.2 | 121.7 | -98.9 | 174.9 | 22 | 0 | 0 | 112.3 | | |
| 113 | Q | 45.8 | Very low | 43.7 | Very low | 143 Ų | 143 | 164.6 Ų | 164.6 | 67% | 0.668 | 82% | 0.815 | S | S | * | * | | | trans | 104.7 | 115.4 | 138.9 | -115 | -177.3 | -20.2 | 0 | 0 | 119 | | |
| 114 | R | 45.8 | Very low | 44 | Very low | 213 Ų | 213 | 165.2 Ų | 165.2 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | trans | 102.1 | 79.5 | 143.8 | -55.5 | -166.3 | -177.2 | -128.2 | 1.8 | 117.5 | | |
| 115 | R | 40.8 | Very low | 44.3 | Very low | 257 Ų | 257 | 165.7 Ų | 165.7 | 97% | 0.97 | 82% | 0.824 | S | S | * | * | | | trans | -54 | 145.4 | 138.5 | -65.5 | -178.8 | 176.7 | -166.8 | -1.4 | 110.6 | | |
| 116 | G | 43 | Very low | 44.6 | Very low | 83 Ų | 83 | 163 Ų | 163 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | | | trans | 166.7 | 83.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 117 | A | 45.2 | Very low | 44.8 | Very low | 92 Ų | 92 | 156.7 Ų | 156.7 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | | | trans | -104.7 | 159.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 118 | D | 45.1 | Very low | 44.8 | Very low | 150 Ų | 150 | 152.6 Ų | 152.6 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | 101.5 | 89.5 | 161.5 | -63.7 | -33 | 0 | 0 | 0 | 121.6 | | |
| 119 | K | 51.5 | Low | 45 | Very low | 194 Ų | 194 | 157 Ų | 157 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | | 65.4 | 165.2 | 109.5 | -105.4 | -163.2 | 173.8 | 173.4 | 0 | 122.7 | | |
| 120 | P | 50.1 | Low | 45.3 | Very low | 108 Ų | 108 | 158.2 Ų | 158.2 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | | | | -131.9 | 179.2 | -120.7 | 40.4 | -18.7 | 0 | 0 | 0 | 116.5 | | |
| 121 | R | 43.1 | Very low | 45.1 | Very low | 245 Ų | 245 | 156.4 Ų | 156.4 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | | | trans | -178.9 | 121.7 | 158.4 | -111.3 | 176 | 169.6 | -175.2 | -2.7 | 109.6 | | |
| 122 | A | 43.2 | Very low | 45.4 | Very low | 87 Ų | 87 | 152.6 Ų | 152.6 | 72% | 0.719 | 82% | 0.815 | S | S | * | * | | | | 90.9 | 130.4 | 71.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 123 | R | 45.8 | Very low | 45.6 | Very low | 242 Ų | 242 | 150.2 Ų | 150.2 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | | | trans | 76 | 132.6 | 169.2 | -62.8 | -179.1 | 178.8 | -155.5 | -2 | 115.3 | | |
| 124 | S | 46.8 | Very low | 45.6 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | | | cis | -163.7 | 145.1 | 41.5 | -38.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 125 | R | 44.1 | Very low | 45.8 | Very low | 238 Ų | 238 | 145.4 Ų | 145.4 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | | | trans | -86.3 | 169.2 | 161.6 | -123.3 | 178.8 | 154.6 | 150.6 | -5.2 | 109 | | |
| 126 | P | 47.6 | Very low | 45.9 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | | | | -153.1 | 161.8 | 55.8 | 40.8 | -16.8 | 0 | 0 | 0 | 116.2 | | |
| 127 | A | 41.7 | Very low | 45.9 | Very low | 100 Ų | 100 | 145.2 Ų | 145.2 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | | | | 82 | 139.5 | 104.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 128 | G | 42.5 | Very low | 45.9 | Very low | 64 Ų | 64 | 145.6 Ų | 145.6 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | | | trans | 133.2 | 83.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 129 | E | 45.1 | Very low | 46.1 | Very low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | | 69.1 | 116.2 | 95.3 | -73.9 | -178.2 | 150.6 | 0 | 0 | 114.1 | | |
| 130 | N | 47.6 | Very low | 45.8 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | | | | 173.7 | 126.8 | 125.3 | -81.6 | -29.1 | 0 | 0 | 0 | 114.1 | | |
| 131 | A | 44.2 | Very low | 45.5 | Very low | 97 Ų | 97 | 147.6 Ų | 147.6 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | | | trans | 79.5 | 104.8 | 139.8 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 132 | T | 45.8 | Very low | 45.6 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | | | trans | -50 | 160.3 | 155.2 | -7.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 133 | P | 52 | Low | 45.3 | Very low | 131 Ų | 131 | 147.3 Ų | 147.3 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | | | | -145.3 | 169.8 | 81.3 | 33.6 | -13.3 | 0 | 0 | 0 | 112.4 | | |
| 134 | G | 45.9 | Very low | 45.3 | Very low | 63 Ų | 63 | 139.9 Ų | 139.9 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | | | cis | 141 | 136.5 | 14 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 135 | K | 50 | Low | 44.9 | Very low | 192 Ų | 192 | 140.6 Ų | 140.6 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | 84.4 | 111.1 | 163.6 | -60.2 | -176.6 | 179.7 | -177 | 0 | 117.1 | | |
| 136 | R | 43.7 | Very low | 44.9 | Very low | 239 Ų | 239 | 133.9 Ų | 133.9 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | | | | 67.9 | 138.4 | 81 | -75.7 | -177.2 | -172.7 | 177.9 | 2.4 | 110.9 | | |
| 137 | S | 43 | Very low | 44.7 | Very low | 97 Ų | 97 | 133 Ų | 133 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | | | cis | -175.8 | 152.1 | 0.9 | 178.1 | 0 | 0 | 0 | 0 | 105.6 | | |
| 138 | S | 45.6 | Very low | 45 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | | | trans | 55.9 | 117.3 | 141.2 | 57.4 | 0 | 0 | 0 | 0 | 122 | | |
| 139 | S | 48 | Very low | 44.9 | Very low | 96 Ų | 96 | 138 Ų | 138 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | | | | 58.4 | 111.4 | 124.9 | 177.5 | 0 | 0 | 0 | 0 | 118.7 | | |
| 140 | D | 45.6 | Very low | 44.7 | Very low | 168 Ų | 168 | 136 Ų | 136 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | trans | -140.8 | 124 | 137.8 | -90.5 | -40.6 | 0 | 0 | 0 | 111.9 | | |
| 141 | R | 44 | Very low | 44.3 | Very low | 229 Ų | 229 | 138.2 Ų | 138.2 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | -73.3 | 131 | 170.5 | -71.2 | 170.5 | 166.3 | 149.1 | -5.2 | 108.8 | | |
| 142 | Q | 44.9 | Very low | 43.8 | Very low | 199 Ų | 199 | 138.9 Ų | 138.9 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | | | trans | -140.4 | 106.8 | 149.8 | -72 | -168.7 | -20.6 | 0 | 0 | 110.7 | | |
| 143 | S | 38.3 | Very low | 43.9 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | | | trans | -105.3 | 114.5 | 160.9 | -164.7 | 0 | 0 | 0 | 0 | 105.9 | | |
| 144 | A | 44.4 | Very low | 43.1 | Very low | 87 Ų | 87 | 138.6 Ų | 138.6 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | | | trans | -160.4 | 100.6 | 169 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 145 | T | 39.8 | Very low | 43.1 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | | | | 67.8 | 102.5 | 98.2 | -52 | 0 | 0 | 0 | 0 | 113.6 | | |
| 146 | A | 42.9 | Very low | 42.6 | Very low | 96 Ų | 96 | 139.4 Ų | 139.4 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | | | trans | -156 | 110.7 | 146.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 147 | P | 44.5 | Very low | 42.3 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | | | trans | -106.8 | 119 | 169.1 | 33.5 | -20.8 | 0 | 0 | 0 | 110.7 | T149 | P147-T149 PolarHBondContact O-OG1 3.49Š|
| 148 | N | 46.6 | Very low | 42.1 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | | | trans | -111.6 | 85.9 | 170.9 | -77.8 | -18.1 | 0 | 0 | 0 | 108.5 | | |
| 149 | T | 40.9 | Very low | 41.8 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | | | | 50.7 | 130.4 | 91.3 | -0 | 0 | 0 | 0 | 0 | 116.4 | P147 | P147-T149 PolarHBondContact O-OG1 3.49Š|
| 150 | L | 41.8 | Very low | 41.7 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 71% | 0.712 | 80% | 0.802 | S | S | * | * | | | trans | 80.6 | 126.5 | 159 | -54.1 | 163.5 | 0 | 0 | 0 | 114.7 | | |
| 151 | R | 39.1 | Very low | 41.4 | Very low | 206 Ų | 206 | 140.2 Ų | 140.2 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | | | cis | -167 | 144.4 | 20.2 | -119.1 | 160 | 175.6 | 157.6 | -3.6 | 107.7 | I153 | R151-I153 PolarHBondContact O-N 3.16Š|
| 152 | S | 33.4 | Very low | 41.6 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | -45.9 | 124.5 | 161.1 | 56 | 0 | 0 | 0 | 0 | 111.1 | | |
| 153 | I | 48.2 | Very low | 41.5 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | | | trans | -126.1 | 106.7 | 156.3 | -58.2 | -179.2 | 0 | 0 | 0 | 107.1 | R151 | R151-I153 PolarHBondContact O-N 3.16Š|
| 154 | S | 35.2 | Very low | 42 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | trans | -53.1 | 159.5 | 176.6 | -67.7 | 0 | 0 | 0 | 0 | 113.9 | T156 | S154-T156 PolarHBondContact O-N 2.88Š|
| 155 | P | 46.1 | Very low | 41.8 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -86.3 | 102.2 | -170.6 | 33.4 | -30.7 | 0 | 0 | 0 | 111.5 | | |
| 156 | T | 39.5 | Very low | 42.3 | Very low | 148 Ų | 148 | 128.9 Ų | 128.9 | 91% | 0.908 | 78% | 0.776 | S | S | * | * | | | trans | -162 | 111 | 158.4 | -42.5 | 0 | 0 | 0 | 0 | 108.3 | S154 | S154-T156 PolarHBondContact O-N 2.88Š|
| 157 | G | 36 | Very low | 42.3 | Very low | 76 Ų | 76 | 133.4 Ų | 133.4 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | | | trans | 171.8 | 60.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 158 | S | 40.2 | Very low | 42.6 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | | | trans | -57.2 | 129.8 | 169.2 | 48.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 159 | A | 38.5 | Very low | 42.7 | Very low | 88 Ų | 88 | 130.7 Ų | 130.7 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -175.6 | 120.6 | 134.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 160 | L | 46.9 | Very low | 43.2 | Very low | 170 Ų | 170 | 129.4 Ų | 129.4 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | | | trans | 80.4 | 81.9 | 164.2 | -48 | 179.5 | 0 | 0 | 0 | 117.2 | A162 | L160-A162 PolarHBondContact O-N 3.09Å; L160-A162 VanDerWaalsContact O-N 3.09Å |
| 161 | R | 38.6 | Very low | 44 | Very low | 261 Ų | 261 | 127.8 Ų | 127.8 | 99% | 0.985 | 77% | 0.768 | S | S | * | * | | | trans | -49.3 | 106.2 | 161.6 | -94.9 | -174.3 | 157.9 | -152.7 | -2.6 | 111.5 | | |
| 162 | A | 48.8 | Very low | 44.8 | Very low | 94 Ų | 94 | 124.3 Ų | 124.3 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | | | trans | -83 | 121.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | L160 P164 | L160-A162 PolarHBondContact O-N 3.09Å; L160-A162 VanDerWaalsContact O-N 3.09Å; A162-P164 WeakPolarHBondContact O-CD 3.28Å |
| 163 | N | 41.6 | Very low | 45.7 | Very low | 132 Ų | 132 | 123.8 Ų | 123.8 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | trans | -69.9 | 117.3 | 174.6 | 176.3 | 27.8 | 0 | 0 | 0 | 110.1 | C165 | N163-C165 PolarHBondContact O-N 3.44Š|
| 164 | P | 49.1 | Very low | 45.9 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | | | trans | -82.9 | 94.8 | 174.2 | 32.3 | -27.6 | 0 | 0 | 0 | 109.1 | A162 S166 | A162-P164 WeakPolarHBondContact O-CD 3.28Å; P164-S166 VanDerWaalsContact C-N 3.29Å; P164-S166 PolarHBondContact O-N 3.49Å |
| 165 | C | 39.3 | Very low | 47 | Very low | 95 Ų | 95 | 125.3 Ų | 125.3 | 64% | 0.642 | 74% | 0.741 | S | S | * | * | | | trans | -71.9 | 92 | 161.6 | -73.5 | 0 | 0 | 0 | 0 | 108.1 | N163 E167 | N163-C165 PolarHBondContact O-N 3.44Å; C165-E167 PolarHBondContact O-N 2.85Å |
| 166 | S | 52 | Low | 47.5 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | | | trans | -57.2 | 123.4 | 174.6 | 53.3 | 0 | 0 | 0 | 0 | 110.9 | P164 G168 | P164-S166 VanDerWaalsContact C-N 3.29Å; P164-S166 PolarHBondContact O-N 3.49Å; S166-G168 PolarHBondContact O-N 2.8Å |
| 167 | E | 43.3 | Very low | 48.3 | Very low | 191 Ų | 191 | 122.9 Ų | 122.9 | 89% | 0.893 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -41 | 117.4 | 168.5 | -168.4 | 152 | -158 | 0 | 0 | 112.3 | C165 | C165-E167 PolarHBondContact O-N 2.85Š|
| 168 | G | 49.5 | Very low | 49.2 | Very low | 69 Ų | 69 | 123.6 Ų | 123.6 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 141.5 | 7.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | S166 | S166-G168 PolarHBondContact O-N 2.8Š|
| 169 | T | 48.6 | Very low | 49.8 | Very low | 135 Ų | 135 | 120.2 Ų | 120.2 | 83% | 0.828 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -154.6 | 119.5 | 173.3 | -20.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 170 | D | 50.9 | Low | 50.5 | Low | 83 Ų | 83 | 121.6 Ų | 121.6 | 44% | 0.444 | 69% | 0.687 | S | S | . | * | | | trans | 90.5 | 95.1 | 163.3 | -146.1 | 0.2 | 0 | 0 | 0 | 118.6 | F172 C173 | D170-F172 PolarHBondContact O-N 3.5Å; D170-F172 WeakPolarHBondContact OD1-CD2 3.38Å; D170-F172 PolarHBondContact OD1-N 3.45Å; D170-C173 HydrophobicContact CB-CB 4.4Å; D170-C173 PolarHBondContact O-N 3.16Å; D170-C173 PolarHBondContact OD2-SG 3.31Å; D170-C173 VanDerWaalsContact OD2-SG 3.41Å |
| 171 | P | 59 | Low | 50.7 | Low | 101 Ų | 101 | 121.4 Ų | 121.4 | 66% | 0.656 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -66.4 | -12.3 | 172.8 | 26.9 | -32.3 | 0 | 0 | 0 | 113.4 | C173 | P171-C173 VanDerWaalsContact C-N 3.3Š|
| 172 | F | 55.6 | Low | 50.8 | Low | 134 Ų | 134 | 115.8 Ų | 115.8 | 59% | 0.588 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -79.6 | -12.3 | 175.3 | -66.3 | -78 | 0 | 0 | 0 | 113.3 | D170 | D170-F172 PolarHBondContact O-N 3.5Å; D170-F172 WeakPolarHBondContact OD1-CD2 3.38Å; D170-F172 PolarHBondContact OD1-N 3.45Å |
| 173 | C | 53.9 | Low | 50.7 | Low | 98 Ų | 98 | 119.4 Ų | 119.4 | 66% | 0.662 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -95.3 | -0 | -177.5 | -64.9 | 0 | 0 | 0 | 0 | 114.5 | D170 P171 | D170-C173 HydrophobicContact CB-CB 4.4Å; D170-C173 PolarHBondContact O-N 3.16Å; D170-C173 PolarHBondContact OD2-SG 3.31Å; D170-C173 VanDerWaalsContact OD2-SG 3.41Å; P171-C173 VanDerWaalsContact C-N 3.3Å |
| 174 | R | 50.7 | Low | 51.1 | Low | 200 Ų | 200 | 117.8 Ų | 117.8 | 76% | 0.755 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -109.5 | -2.4 | 175.5 | -75.6 | -161.8 | 177.4 | -176.1 | 2 | 114.9 | P176 | R174-P176 VanDerWaalsContact O-CD 3.27Å; R174-P176 WeakPolarHBondContact O-CD 3.34Å |
| 175 | L | 58.8 | Low | 51.2 | Low | 93 Ų | 93 | 118.7 Ų | 118.7 | 49% | 0.487 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -78.3 | 117.9 | 170.6 | -88.8 | 99.8 | 0 | 0 | 0 | 109.3 | L177 L180 | L175-L177 PolarHBondContact O-N 3.33Å; L175-L177 VanDerWaalsContact O-N 3.09Å; L175-L180 HydrophobicContact CD2-CD2 4.46Å; L175-L180 HydrophobicContact CD2-CG 4.35Å |
| 176 | P | 56.3 | Low | 51.7 | Low | 87 Ų | 87 | 117.2 Ų | 117.2 | 57% | 0.565 | 65% | 0.649 | S | S | * | * | | | trans | -58.1 | 120.8 | 167.3 | 25.1 | -30.9 | 0 | 0 | 0 | 107 | R174 S178 A179 | R174-P176 VanDerWaalsContact O-CD 3.27Å; R174-P176 WeakPolarHBondContact O-CD 3.34Å; P176-S178 PolarHBondContact O-N 3.25Å; P176-A179 HydrophobicContact CG-CB 4.28Å; P176-A179 PolarHBondContact O-N 2.99Å |
| 177 | L | 57.5 | Low | 51.6 | Low | 135 Ų | 135 | 117.1 Ų | 117.1 | 71% | 0.707 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -45 | -29.2 | 178.7 | -90.1 | 149.2 | 0 | 0 | 0 | 112.6 | L175 A179 L180 F181 | L175-L177 PolarHBondContact O-N 3.33Å; L175-L177 VanDerWaalsContact O-N 3.09Å; L177-A179 VanDerWaalsContact C-N 3.29Å; L177-A179 PolarHBondContact O-N 3.39Å; L177-L180 PolarHBondContact O-N 3.16Å; L177-F181 VanDerWaalsContact O-CD2 3.28Å; L177-F181 WeakPolarHBondContact O-CD2 3.31Å |
| 178 | S | 53.4 | Low | 52.2 | Low | 90 Ų | 90 | 113.3 Ų | 113.3 | 63% | 0.629 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -65.9 | -19 | 177.4 | -37.7 | 0 | 0 | 0 | 0 | 115.5 | P176 | P176-S178 PolarHBondContact O-N 3.25Š|
| 179 | A | 52.7 | Low | 52.6 | Low | 51 Ų | 51 | 113.7 Ų | 113.7 | 42% | 0.421 | 61% | 0.61 | S | S | . | * | G | 310 helix | trans | -84.5 | -20.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P176 L177 | P176-A179 HydrophobicContact CG-CB 4.28Å; P176-A179 PolarHBondContact O-N 2.99Å; L177-A179 VanDerWaalsContact C-N 3.29Å; L177-A179 PolarHBondContact O-N 3.39Å |
| 180 | L | 54 | Low | 53.4 | Low | 117 Ų | 117 | 109.3 Ų | 109.3 | 61% | 0.613 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -16.5 | 176.3 | -72.4 | 168.9 | 0 | 0 | 0 | 112.8 | L175 L177 | L175-L180 HydrophobicContact CD2-CD2 4.46Å; L175-L180 HydrophobicContact CD2-CG 4.35Å; L177-L180 PolarHBondContact O-N 3.16Å |
| 181 | F | 51.2 | Low | 53.7 | Low | 165 Ų | 165 | 109 Ų | 109 | 72% | 0.724 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -101.3 | -0.1 | 178.9 | -68.9 | -75.7 | 0 | 0 | 0 | 114.5 | L177 | L177-F181 VanDerWaalsContact O-CD2 3.28Å; L177-F181 WeakPolarHBondContact O-CD2 3.31Å |
| 182 | N | 41.5 | Very low | 53.6 | Low | 144 Ų | 144 | 109.8 Ų | 109.8 | 77% | 0.77 | 59% | 0.589 | S | S | * | * | | | trans | -107.9 | 13 | 173.8 | -102.2 | -33.7 | 0 | 0 | 0 | 112.9 | | |
| 183 | W | 46.1 | Very low | 54 | Low | 170 Ų | 170 | 108.2 Ų | 108.2 | 64% | 0.644 | 59% | 0.585 | S | S | * | * | | | trans | -70.1 | 123.6 | 170.9 | -156.5 | -91.6 | 0 | 0 | 0 | 108.6 | E185 A186 | W183-E185 PolarHBondContact O-N 3.2Å; W183-A186 PolarHBondContact O-N 3.21Å |
| 184 | P | 48.8 | Very low | 54.5 | Low | 98 Ų | 98 | 111.2 Ų | 111.2 | 64% | 0.636 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 2.5 | -171.1 | 25 | -33.1 | 0 | 0 | 0 | 114.7 | A186 | P184-A186 VanDerWaalsContact C-N 3.3Š|
| 185 | E | 52.5 | Low | 54.9 | Low | 129 Ų | 129 | 107.2 Ų | 107.2 | 60% | 0.603 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -14.3 | 175.1 | -158.9 | 163.7 | -172.9 | 0 | 0 | 112.6 | W183 L189 | W183-E185 PolarHBondContact O-N 3.2Å; E185-L189 WeakPolarHBondContact O-CD1 3.42Å |
| 186 | A | 50 | Low | 55 | Low | 64 Ų | 64 | 109.3 Ų | 109.3 | 53% | 0.529 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -79.8 | -16 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | W183 P184 H188 | W183-A186 PolarHBondContact O-N 3.21Å; P184-A186 VanDerWaalsContact C-N 3.3Å; A186-H188 VanDerWaalsContact C-N 3.28Å |
| 187 | V | 49 | Very low | 54.9 | Low | 106 Ų | 106 | 109.5 Ų | 109.5 | 64% | 0.642 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70 | -30.7 | 173.4 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 188 | H | 56.2 | Low | 54.7 | Low | 111 Ų | 111 | 110.7 Ų | 110.7 | 51% | 0.514 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -87.5 | -13.7 | 179.3 | -58.4 | -55.5 | 0 | 0 | 0 | 114.2 | A186 D191 L192 | A186-H188 VanDerWaalsContact C-N 3.28Å; H188-D191 PolarHBondContact O-N 3.02Å; H188-L192 WeakPolarHBondContact O-CD1 3.36Å; H188-L192 PolarHBondContact O-N 3.37Å |
| 189 | L | 57.5 | Low | 54.7 | Low | 76 Ų | 76 | 108.3 Ų | 108.3 | 40% | 0.398 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.4 | -34.3 | 172.7 | -95.4 | 84.6 | 0 | 0 | 0 | 112.1 | E185 D191 L192 L193 | E185-L189 WeakPolarHBondContact O-CD1 3.42Å; L189-D191 VanDerWaalsContact C-N 3.3Å; L189-L192 PolarHBondContact O-N 3.05Å; L189-L193 WeakPolarHBondContact O-CB 3.17Å; L189-L193 WeakPolarHBondContact O-CG 3.2Å; L189-L193 PolarHBondContact O-N 3.24Å |
| 190 | G | 65.1 | Low | 54.6 | Low | 43 Ų | 43 | 108.5 Ų | 108.5 | 44% | 0.443 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.8 | -40.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R194 | G190-R194 WeakPolarHBondContact O-CB 3.45Å; G190-R194 PolarHBondContact O-N 3.3Å |
| 191 | D | 57.7 | Low | 54.2 | Low | 78 Ų | 78 | 107.4 Ų | 107.4 | 42% | 0.417 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.1 | -41.1 | 176.1 | -69.9 | -27 | 0 | 0 | 0 | 112.2 | H188 L189 L193 R194 I195 | H188-D191 PolarHBondContact O-N 3.02Å; L189-D191 VanDerWaalsContact C-N 3.3Å; D191-L193 VanDerWaalsContact C-N 3.35Å; D191-L193 PolarHBondContact O-N 2.85Å; D191-R194 PolarHBondContact O-N 2.79Å; D191-I195 VanDerWaalsContact O-CB 3.31Å; D191-I195 WeakPolarHBondContact O-CB 3.4Å; D191-I195 WeakPolarHBondContact O-CD1 3.38Å; D191-I195 WeakPolarHBondContact O-CG1 3.22Å; D191-I195 PolarHBondContact O-N 3.31Å |
| 192 | L | 57 | Low | 53.9 | Low | 117 Ų | 117 | 104.7 Ų | 104.7 | 61% | 0.613 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.5 | -42.3 | 173.7 | -99.7 | 86.1 | 0 | 0 | 0 | 111.8 | H188 L189 W196 | H188-L192 WeakPolarHBondContact O-CD1 3.36Å; H188-L192 PolarHBondContact O-N 3.37Å; L189-L192 PolarHBondContact O-N 3.05Å; L192-W196 WeakPolarHBondContact O-CB 3.14Å; L192-W196 PolarHBondContact O-N 2.86Å |
| 193 | L | 63.6 | Low | 54 | Low | 100 Ų | 100 | 104.4 Ų | 104.4 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.8 | -34.2 | 176.9 | -75.1 | 166.9 | 0 | 0 | 0 | 111.8 | L189 D191 W196 V197 | L189-L193 WeakPolarHBondContact O-CB 3.17Å; L189-L193 WeakPolarHBondContact O-CG 3.2Å; L189-L193 PolarHBondContact O-N 3.24Å; D191-L193 VanDerWaalsContact C-N 3.35Å; D191-L193 PolarHBondContact O-N 2.85Å; L193-W196 HydrophobicContact CD2-CE3 4.5Å; L193-W196 PolarHBondContact O-N 3.35Å; L193-V197 VanDerWaalsContact O-CB 3.3Å; L193-V197 WeakPolarHBondContact O-CB 3.48Å; L193-V197 WeakPolarHBondContact O-CG2 3.43Å; L193-V197 PolarHBondContact O-N 2.9Å |
| 194 | R | 65.3 | Low | 53.6 | Low | 162 Ų | 162 | 106.2 Ų | 106.2 | 61% | 0.611 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72.5 | -38.9 | 176.2 | -167.6 | 174.2 | -174.5 | 178.5 | 1.4 | 112.6 | G190 D191 R198 | G190-R194 WeakPolarHBondContact O-CB 3.45Å; G190-R194 PolarHBondContact O-N 3.3Å; D191-R194 PolarHBondContact O-N 2.79Å; R194-R198 WeakPolarHBondContact O-CB 3.31Å; R194-R198 PolarHBondContact O-N 2.9Å |
| 195 | I | 59.1 | Low | 52.9 | Low | 116 Ų | 116 | 103.5 Ų | 103.5 | 60% | 0.595 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.8 | -39.2 | 172.7 | -66.3 | 163.3 | 0 | 0 | 0 | 109.7 | D191 R198 A199 | D191-I195 VanDerWaalsContact O-CB 3.31Å; D191-I195 WeakPolarHBondContact O-CB 3.4Å; D191-I195 WeakPolarHBondContact O-CD1 3.38Å; D191-I195 WeakPolarHBondContact O-CG1 3.22Å; D191-I195 PolarHBondContact O-N 3.31Å; I195-R198 PolarHBondContact O-N 3.06Å; I195-A199 WeakPolarHBondContact O-CB 3.06Å; I195-A199 PolarHBondContact O-N 3.22Å |
| 196 | W | 60.6 | Low | 52.1 | Low | 137 Ų | 137 | 105.5 Ų | 105.5 | 52% | 0.519 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -73.1 | -39.1 | 179.4 | -168.1 | 60.9 | 0 | 0 | 0 | 112.8 | L50 L192 L193 R198 A199 S200 | L50-W196 HydrophobicContact CD1-CH2 4.39Å; L50-W196 HydrophobicContact CD2-CH2 4.33Å; L50-W196 HydrophobicContact CD2-CZ3 4.1Å; L192-W196 WeakPolarHBondContact O-CB 3.14Å; L192-W196 PolarHBondContact O-N 2.86Å; L193-W196 HydrophobicContact CD2-CE3 4.5Å; L193-W196 PolarHBondContact O-N 3.35Å; W196-R198 VanDerWaalsContact C-N 3.34Å; W196-R198 PolarHBondContact O-N 3.46Å; W196-A199 PolarHBondContact O-N 3.39Å; W196-S200 VanDerWaalsContact O-CB 3.28Å; W196-S200 WeakPolarHBondContact O-CB 3.13Å; W196-S200 PolarHBondContact O-N 2.91Å |
| 197 | V | 54.2 | Low | 51.3 | Low | 91 Ų | 91 | 105.1 Ų | 105.1 | 55% | 0.552 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.7 | -37.9 | 172.4 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | L193 T201 | L193-V197 VanDerWaalsContact O-CB 3.3Å; L193-V197 WeakPolarHBondContact O-CB 3.48Å; L193-V197 WeakPolarHBondContact O-CG2 3.43Å; L193-V197 PolarHBondContact O-N 2.9Å; V197-T201 PolarHBondContact O-N 3.06Å; V197-T201 PolarHBondContact O-OG1 3.26Å |
| 198 | R | 54 | Low | 50.4 | Low | 159 Ų | 159 | 109.1 Ų | 109.1 | 60% | 0.6 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -74.6 | -30.4 | 173.8 | -85.1 | -177.3 | 164.9 | 174.7 | -5.7 | 114.2 | R194 I195 W196 T201 N202 | R194-R198 WeakPolarHBondContact O-CB 3.31Å; R194-R198 PolarHBondContact O-N 2.9Å; I195-R198 PolarHBondContact O-N 3.06Å; W196-R198 VanDerWaalsContact C-N 3.34Å; W196-R198 PolarHBondContact O-N 3.46Å; R198-T201 WeakPolarHBondContact CA-OG1 3.22Å; R198-T201 PolarHBondContact O-OG1 3.42Å; R198-N202 WeakPolarHBondContact O-CB 3.18Å; R198-N202 PolarHBondContact O-N 2.89Å; R198-N202 PolarHBondContact O-ND2 2.79Å |
| 199 | A | 52.7 | Low | 49.5 | Very low | 41 Ų | 41 | 110 Ų | 110 | 34% | 0.339 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -76.3 | -36.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I195 W196 T201 N202 L203 | I195-A199 WeakPolarHBondContact O-CB 3.06Å; I195-A199 PolarHBondContact O-N 3.22Å; W196-A199 PolarHBondContact O-N 3.39Å; A199-T201 VanDerWaalsContact C-N 3.26Å; A199-T201 PolarHBondContact O-N 3.46Å; A199-N202 PolarHBondContact O-N 2.84Å; A199-N202 VanDerWaalsContact O-N 3.16Å; A199-L203 WeakPolarHBondContact O-CG 3.38Å; A199-L203 PolarHBondContact O-N 2.84Å; A199-L203 VanDerWaalsContact O-N 3.1Å |
| 200 | S | 49.5 | Very low | 48.8 | Very low | 54 Ų | 54 | 117.9 Ų | 117.9 | 38% | 0.378 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.9 | -21.4 | 173.5 | -89.2 | 0 | 0 | 0 | 0 | 113.4 | W196 Y204 | W196-S200 VanDerWaalsContact O-CB 3.28Å; W196-S200 WeakPolarHBondContact O-CB 3.13Å; W196-S200 PolarHBondContact O-N 2.91Å; S200-Y204 WeakPolarHBondContact O-CD2 3.22Å |
| 201 | T | 46.1 | Very low | 47.2 | Very low | 95 Ų | 95 | 122.6 Ų | 122.6 | 58% | 0.583 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -89.6 | -15.7 | 169.8 | 51.3 | 0 | 0 | 0 | 0 | 113.9 | V197 R198 A199 | V197-T201 PolarHBondContact O-N 3.06Å; V197-T201 PolarHBondContact O-OG1 3.26Å; R198-T201 WeakPolarHBondContact CA-OG1 3.22Å; R198-T201 PolarHBondContact O-OG1 3.42Å; A199-T201 VanDerWaalsContact C-N 3.26Å; A199-T201 PolarHBondContact O-N 3.46Å |
| 202 | N | 46 | Very low | 46.3 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 57% | 0.572 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -98.7 | -5.9 | 178.4 | -89.7 | -61.1 | 0 | 0 | 0 | 114.3 | R198 A199 | R198-N202 WeakPolarHBondContact O-CB 3.18Å; R198-N202 PolarHBondContact O-N 2.89Å; R198-N202 PolarHBondContact O-ND2 2.79Å; A199-N202 PolarHBondContact O-N 2.84Å; A199-N202 VanDerWaalsContact O-N 3.16Å |
| 203 | L | 43.1 | Very low | 45.2 | Very low | 138 Ų | 138 | 129 Ų | 129 | 72% | 0.723 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -94.5 | 5.5 | 174.4 | -73.8 | 164.7 | 0 | 0 | 0 | 113.6 | A199 | A199-L203 WeakPolarHBondContact O-CG 3.38Å; A199-L203 PolarHBondContact O-N 2.84Å; A199-L203 VanDerWaalsContact O-N 3.1Å |
| 204 | Y | 38 | Very low | 43.9 | Very low | 209 Ų | 209 | 129.1 Ų | 129.1 | 82% | 0.82 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -123.5 | 68.4 | 166.3 | -62.1 | -85.8 | 0 | 0 | 0 | 107.9 | S200 | S200-Y204 WeakPolarHBondContact O-CD2 3.22Š|
| 205 | G | 33.6 | Very low | 42.8 | Very low | 41 Ų | 41 | 127.7 Ų | 127.7 | 42% | 0.423 | 68% | 0.683 | S | S | . | * | | | trans | 164.7 | 8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | G207 | G205-G207 PolarHBondContact O-N 2.77Š|
| 206 | L | 36.2 | Very low | 41.7 | Very low | 171 Ų | 171 | 127.6 Ų | 127.6 | 90% | 0.895 | 69% | 0.69 | S | S | * | * | | | trans | -72.4 | 70.3 | 164.5 | -99 | 120 | 0 | 0 | 0 | 109.6 | | |
| 207 | G | 32.9 | Very low | 40.6 | Very low | 55 Ų | 55 | 129.1 Ų | 129.1 | 57% | 0.567 | 71% | 0.708 | S | S | * | * | | | trans | -160.8 | 52.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | G205 | G205-G207 PolarHBondContact O-N 2.77Š|
| 208 | F | 30.4 | Very low | 39.6 | Very low | 190 Ų | 190 | 129 Ų | 129 | 83% | 0.833 | 72% | 0.717 | S | S | * | * | | | trans | -143.9 | 71.5 | 171.3 | -68.5 | -73.3 | 0 | 0 | 0 | 109.4 | | |
| 209 | S | 36.9 | Very low | 38.8 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 92% | 0.916 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 135 | 160.2 | -112.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 210 | R | 43 | Very low | 38 | Very low | 240 Ų | 240 | 129.7 Ų | 129.7 | 91% | 0.906 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 138.5 | -166.6 | -58.7 | 175.6 | -174.9 | -153.5 | -0.1 | 111.3 | V212 | R210-V212 PolarHBondContact O-N 3.1Š|
| 211 | T | 30.4 | Very low | 37.1 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 122.6 | 166.7 | -1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 212 | V | 39.4 | Very low | 36.8 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | | | trans | -143.9 | 127.7 | 146.7 | 123 | 0 | 0 | 0 | 0 | 108.4 | R210 | R210-V212 PolarHBondContact O-N 3.1Š|
| 213 | E | 33.3 | Very low | 36.5 | Very low | 188 Ų | 188 | 134.7 Ų | 134.7 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | trans | -61.4 | 126.4 | 178.2 | -121.2 | 172.3 | 162.1 | 0 | 0 | 111.1 | | |
| 214 | S | 37.4 | Very low | 36 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | 178.4 | 110.3 | 135 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 215 | V | 41.3 | Very low | 35.8 | Very low | 132 Ų | 132 | 134 Ų | 134 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | | | trans | 69.2 | 122 | 142.9 | -169.9 | 0 | 0 | 0 | 0 | 119.1 | | |
| 216 | P | 36.8 | Very low | 36 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | | | trans | -87.9 | 135.8 | 178.6 | 35.6 | -29.1 | 0 | 0 | 0 | 110 | | |
| 217 | N | 36.8 | Very low | 35.8 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | | | trans | -148.6 | 140.1 | 152.9 | -105.8 | -21 | 0 | 0 | 0 | 111.4 | | |
| 218 | A | 33.2 | Very low | 36.2 | Very low | 89 Ų | 89 | 139.7 Ų | 139.7 | 74% | 0.736 | 83% | 0.827 | S | S | * | * | | | trans | -44.5 | 146 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 219 | T | 36.9 | Very low | 36.5 | Very low | 145 Ų | 145 | 136 Ų | 136 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | | | trans | 141.6 | 118.8 | 132.1 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 220 | G | 37.4 | Very low | 36.6 | Very low | 69 Ų | 69 | 134.6 Ų | 134.6 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | | | trans | 92.9 | 104.4 | 149.4 | 0 | 0 | 0 | 0 | 0 | 117 | A222 | G220-A222 PolarHBondContact O-N 2.79Š|
| 221 | D | 30.7 | Very low | 36.1 | Very low | 177 Ų | 177 | 130.6 Ų | 130.6 | 95% | 0.947 | 81% | 0.811 | S | S | * | * | | | trans | -43.8 | 123.1 | 155.1 | -99.9 | -39.2 | 0 | 0 | 0 | 112 | | |
| 222 | A | 38.8 | Very low | 36.3 | Very low | 78 Ų | 78 | 129.8 Ų | 129.8 | 65% | 0.645 | 81% | 0.811 | S | S | * | * | | | trans | -151.3 | 93.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | G220 F224 | G220-A222 PolarHBondContact O-N 2.79Å; A222-F224 PolarHBondContact O-N 3.28Å |
| 223 | A | 39.9 | Very low | 36.2 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | | | trans | -66.9 | 112.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | C225 | A223-C225 PolarHBondContact O-N 3.38Š|
| 224 | F | 32.6 | Very low | 36.3 | Very low | 206 Ų | 206 | 126.9 Ų | 126.9 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | | | trans | -80 | 109.8 | 168.3 | -84.7 | -88.9 | 0 | 0 | 0 | 110.1 | A222 | A222-F224 PolarHBondContact O-N 3.28Š|
| 225 | C | 34.1 | Very low | 36.1 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | | | trans | -107.2 | 104.3 | 160 | -162.6 | 0 | 0 | 0 | 0 | 107.4 | A223 | A223-C225 PolarHBondContact O-N 3.38Š|
| 226 | G | 37.1 | Very low | 36 | Very low | 70 Ų | 70 | 125 Ų | 125 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | | | trans | -85.8 | 120.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 227 | D | 32.4 | Very low | 36.1 | Very low | 143 Ų | 143 | 125.4 Ų | 125.4 | 77% | 0.765 | 82% | 0.815 | S | S | * | * | | | trans | -20.2 | 126.1 | 165.5 | -62.7 | -45.6 | 0 | 0 | 0 | 119.2 | | |
| 228 | I | 41.1 | Very low | 36.3 | Very low | 173 Ų | 173 | 121.6 Ų | 121.6 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | | | trans | -121.4 | 100.5 | 141.8 | -59.8 | -178.9 | 0 | 0 | 0 | 107.4 | A230 | I228-A230 PolarHBondContact O-N 2.93Š|
| 229 | V | 37.3 | Very low | 36.3 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 68% | 0.679 | 80% | 0.802 | S | S | * | * | | | trans | -54.6 | 119.3 | 177.8 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | I231 | V229-I231 HydrophobicContact CG1-CG1 3.92Š|
| 230 | A | 38.3 | Very low | 36.2 | Very low | 101 Ų | 101 | 123.5 Ų | 123.5 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | -103.1 | 115.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | I228 | I228-A230 PolarHBondContact O-N 2.93Š|
| 231 | I | 33.8 | Very low | 36.7 | Very low | 157 Ų | 157 | 126.8 Ų | 126.8 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | | | trans | -75 | 138.3 | -177.3 | -54.2 | 167.8 | 0 | 0 | 0 | 109.2 | V229 | V229-I231 HydrophobicContact CG1-CG1 3.92Š|
| 232 | S | 34.1 | Very low | 37.2 | Very low | 125 Ų | 125 | 123.8 Ų | 123.8 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | 99.1 | 111.2 | 159.2 | -161.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 233 | G | 37.5 | Very low | 37.3 | Very low | 74 Ų | 74 | 130.4 Ų | 130.4 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | trans | 136.9 | 82.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 234 | Q | 34.2 | Very low | 37.5 | Very low | 193 Ų | 193 | 133.6 Ų | 133.6 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | trans | -52.8 | 144.1 | 179.6 | -87.2 | -162.2 | -83.2 | 0 | 0 | 115.2 | | |
| 235 | P | 34.8 | Very low | 37.6 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | | | trans | -102.1 | 138.4 | 165.9 | 35.6 | -25.7 | 0 | 0 | 0 | 112.2 | | |
| 236 | G | 38.5 | Very low | 38.5 | Very low | 76 Ų | 76 | 135.8 Ų | 135.8 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | | | trans | -101.6 | 113 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 237 | S | 38.5 | Very low | 38.6 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | | | trans | 61.2 | 133.8 | 137.1 | -154.3 | 0 | 0 | 0 | 0 | 122.4 | | |
| 238 | S | 42.2 | Very low | 38.8 | Very low | 88 Ų | 88 | 139.9 Ų | 139.9 | 62% | 0.615 | 81% | 0.805 | S | S | * | * | | | trans | 94.4 | 95.7 | 148.7 | -166.3 | 0 | 0 | 0 | 0 | 118 | | |
| 239 | D | 32.8 | Very low | 38.8 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | | | | 66.9 | 110.9 | 123.4 | -47.3 | -35 | 0 | 0 | 0 | 120.1 | | |
| 240 | C | 35.3 | Very low | 38.6 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | | | trans | -160.8 | 114.7 | 136.3 | -95.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 241 | V | 46.5 | Very low | 38.6 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 139.7 | 178.5 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 242 | P | 42.2 | Very low | 38.6 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 144.1 | 171.6 | 33.6 | -29.1 | 0 | 0 | 0 | 111.5 | | |
| 243 | Y | 41.2 | Very low | 38.9 | Very low | 218 Ų | 218 | 135.3 Ų | 135.3 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -75 | 146 | -173.7 | 89.1 | -83.3 | 0 | 0 | 0 | 113.5 | | |
| 244 | E | 42.8 | Very low | 39.1 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 146.1 | -178.6 | -77.4 | -79.2 | 154.3 | 0 | 0 | 113.6 | | |
| 245 | E | 35.2 | Very low | 39.4 | Very low | 177 Ų | 177 | 133.9 Ų | 133.9 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 132.1 | 174.6 | -177.4 | -173.7 | 162.4 | 0 | 0 | 111.1 | | |
| 246 | K | 52.3 | Low | 39.4 | Very low | 203 Ų | 203 | 134.3 Ų | 134.3 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 118 | -179.6 | -170.4 | 176.5 | 179.4 | -179.3 | 0 | 111.8 | | |
| 247 | K | 39.1 | Very low | 39.5 | Very low | 178 Ų | 178 | 135.9 Ų | 135.9 | 77% | 0.774 | 80% | 0.801 | S | S | * | * | | | trans | -102.6 | 179.2 | 165.8 | -141.2 | 171 | -174.1 | 171 | 0 | 110.4 | | |
| 248 | T | 37.9 | Very low | 39.9 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | trans | 86.7 | 131.2 | 171 | 3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 249 | L | 40.4 | Very low | 39.5 | Very low | 157 Ų | 157 | 136.7 Ų | 136.7 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | cis | -155.2 | 163.9 | 29.3 | -91.3 | 160.6 | 0 | 0 | 0 | 113.4 | | |
| 250 | S | 34 | Very low | 40.1 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | trans | -66.1 | 156.4 | 174.2 | 45.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 251 | G | 37.8 | Very low | 40.4 | Very low | 81 Ų | 81 | 136.8 Ų | 136.8 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | | | trans | 176.8 | 111.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 252 | T | 33.8 | Very low | 40 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -63.1 | 150.2 | -174.9 | -41.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 253 | A | 40.7 | Very low | 40 | Very low | 78 Ų | 78 | 136.9 Ų | 136.9 | 65% | 0.645 | 80% | 0.797 | S | S | * | * | | | | 150.8 | 127.7 | 118.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 254 | D | 40.9 | Very low | 40.1 | Very low | 166 Ų | 166 | 131.6 Ų | 131.6 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | | | trans | 76 | 120.5 | 138.6 | -59.7 | -21.1 | 0 | 0 | 0 | 123.5 | | |
| 255 | G | 39.9 | Very low | 39.7 | Very low | 70 Ų | 70 | 135.4 Ų | 135.4 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | | 139 | 101.9 | 118.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 256 | C | 35.1 | Very low | 40.1 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | | | trans | 62.8 | 143.7 | 147.6 | -97.6 | 0 | 0 | 0 | 0 | 120.1 | | |
| 257 | S | 41.9 | Very low | 39.6 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | cis | -178.1 | 165.4 | -18.8 | -115.6 | 0 | 0 | 0 | 0 | 106.3 | | |
| 258 | P | 45.5 | Very low | 39.8 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | -110.7 | 174.2 | -149.4 | 40.5 | -32.9 | 0 | 0 | 0 | 115.2 | | |
| 259 | S | 33.7 | Very low | 40.4 | Very low | 107 Ų | 107 | 126 Ų | 126 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | | 143.7 | 146 | 127.8 | -174 | 0 | 0 | 0 | 0 | 115 | | |
| 260 | S | 45.3 | Very low | 40.3 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | | | trans | 97.4 | 126.9 | 156.3 | -46.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 261 | E | 41.7 | Very low | 40.7 | Very low | 177 Ų | 177 | 130.7 Ų | 130.7 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | | | cis | -166.6 | 134.7 | 2.5 | -100.7 | -175.9 | 127.4 | 0 | 0 | 105.3 | | |
| 262 | A | 38.4 | Very low | 40.9 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 70% | 0.702 | 81% | 0.806 | S | S | * | * | | | | 60.9 | 123.3 | 104.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 263 | L | 43.1 | Very low | 41.1 | Very low | 168 Ų | 168 | 130 Ų | 130 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | | | | -175 | 174 | 53.6 | -90.3 | 175.4 | 0 | 0 | 0 | 111.6 | | |
| 264 | P | 41.6 | Very low | 41.1 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | | | trans | -112.4 | 167.4 | -152.4 | 41.6 | -34.6 | 0 | 0 | 0 | 119 | | |
| 265 | R | 35.8 | Very low | 41.3 | Very low | 252 Ų | 252 | 134 Ų | 134 | 95% | 0.951 | 80% | 0.801 | S | S | * | * | | | trans | 16.2 | 138.5 | 155.9 | -74.6 | -171.9 | 178.8 | 174 | 1.2 | 122.2 | | |
| 266 | A | 43.6 | Very low | 41.5 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -151.7 | 153.8 | 143.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 267 | P | 42.5 | Very low | 41.8 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -107.3 | 172.5 | -169.4 | 34.5 | -19.2 | 0 | 0 | 0 | 116.2 | | |
| 268 | V | 43.2 | Very low | 42.1 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 146.1 | -173.3 | -155.4 | 0 | 0 | 0 | 0 | 117 | | |
| 269 | P | 49.6 | Very low | 42.2 | Very low | 119 Ų | 119 | 144.6 Ų | 144.6 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 130.5 | 163 | 34.2 | -25 | 0 | 0 | 0 | 113.2 | | |
| 270 | R | 38.1 | Very low | 42.7 | Very low | 258 Ų | 258 | 144.7 Ų | 144.7 | 97% | 0.974 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 130.7 | 159.7 | -98.4 | 178.4 | 172.1 | 155.5 | -2.6 | 108.6 | | |
| 271 | A | 42.6 | Very low | 42.9 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | | | trans | -110.7 | 126.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 272 | S | 41.2 | Very low | 43 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | | | trans | -96.5 | 149.8 | -174.9 | 167 | 0 | 0 | 0 | 0 | 111.5 | | |
| 273 | S | 38.2 | Very low | 43.5 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | | | trans | 58.8 | 117.2 | 145.4 | 62 | 0 | 0 | 0 | 0 | 120.5 | | |
| 274 | R | 41.1 | Very low | 44.1 | Very low | 251 Ų | 251 | 142.3 Ų | 142.3 | 95% | 0.947 | 81% | 0.811 | S | S | * | * | | | trans | -143.8 | 121 | 132.5 | -143.3 | 170.5 | -170.7 | 165.8 | 1.7 | 110.3 | | |
| 275 | A | 44.4 | Very low | 44.7 | Very low | 76 Ų | 76 | 143.4 Ų | 143.4 | 63% | 0.628 | 82% | 0.818 | S | S | * | * | | | trans | -72.6 | 152.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 276 | N | 45.5 | Very low | 45.3 | Very low | 172 Ų | 172 | 141 Ų | 141 | 92% | 0.92 | 81% | 0.809 | S | S | * | * | | | trans | -150 | 123.9 | 140.9 | -85.9 | -32.6 | 0 | 0 | 0 | 108.4 | | |
| 277 | R | 40.8 | Very low | 45.6 | Very low | 236 Ų | 236 | 142 Ų | 142 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | | | trans | -90.8 | 166.2 | 175.1 | -89 | -176.8 | 173.6 | 95.7 | -2.4 | 110 | | |
| 278 | A | 48.2 | Very low | 45.6 | Very low | 98 Ų | 98 | 147.6 Ų | 147.6 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | | | trans | 78.8 | 138.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 279 | D | 47.2 | Very low | 45.7 | Very low | 147 Ų | 147 | 150.9 Ų | 150.9 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | | | cis | -161.4 | 162.7 | 20.4 | -162.9 | -6.5 | 0 | 0 | 0 | 108.5 | | |
| 280 | S | 45.5 | Very low | 45.3 | Very low | 109 Ų | 109 | 156.1 Ų | 156.1 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | | | trans | -51.4 | 151.9 | 176.5 | 56.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 281 | G | 48.9 | Very low | 45.4 | Very low | 71 Ų | 71 | 149.1 Ų | 149.1 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | | | trans | 167.2 | 110.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E283 | G281-E283 PolarHBondContact O-N 3.1Š|
| 282 | D | 43.9 | Very low | 45.4 | Very low | 174 Ų | 174 | 149.6 Ų | 149.6 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | | | trans | -46.6 | 117.5 | 173.9 | -81.2 | -53.2 | 0 | 0 | 0 | 113.2 | | |
| 283 | E | 48.7 | Very low | 45 | Very low | 155 Ų | 155 | 150.7 Ų | 150.7 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | | | trans | -124.5 | 115.7 | 169.1 | -169.6 | 82.3 | -179.2 | 0 | 0 | 109.3 | G281 | G281-E283 PolarHBondContact O-N 3.1Š|
| 284 | A | 55.5 | Low | 44.8 | Very low | 79 Ų | 79 | 151 Ų | 151 | 65% | 0.653 | 79% | 0.792 | S | S | * | * | | | trans | -56.7 | 156.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R286 | A284-R286 PolarHBondContact O-N 3.3Š|
| 285 | P | 53.4 | Low | 44.3 | Very low | 131 Ų | 131 | 147.3 Ų | 147.3 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | | | trans | -66.3 | 111.1 | -178.2 | -6.2 | 20.2 | 0 | 0 | 0 | 110.1 | | |
| 286 | R | 50.1 | Low | 43.6 | Very low | 202 Ų | 202 | 146.4 Ų | 146.4 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | | | trans | -59.6 | 138.4 | 172.3 | -66.9 | -161.3 | -169.5 | -152 | 3.9 | 110.3 | A284 R288 | A284-R286 PolarHBondContact O-N 3.3Å; R286-R288 PolarHBondContact O-N 3.32Å; R286-R288 VanDerWaalsContact O-N 3.17Å |
| 287 | P | 48.1 | Very low | 43 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | | | trans | -63 | 120.4 | 178.8 | 24.6 | -32.1 | 0 | 0 | 0 | 110 | K289 | P287-K289 PolarHBondContact O-N 2.87Å; P287-K289 VanDerWaalsContact O-N 3.11Å |
| 288 | R | 43.9 | Very low | 42.7 | Very low | 242 Ų | 242 | 139 Ų | 139 | 91% | 0.913 | 73% | 0.731 | S | S | * | * | | | trans | -57.6 | 115.7 | 172.8 | -68.3 | -177.6 | 177.4 | 179.8 | -0.8 | 108.5 | R286 R290 | R286-R288 PolarHBondContact O-N 3.32Å; R286-R288 VanDerWaalsContact O-N 3.17Å; R288-R290 PolarHBondContact O-N 3.19Å |
| 289 | K | 44.9 | Very low | 42.1 | Very low | 208 Ų | 208 | 143.1 Ų | 143.1 | 90% | 0.904 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -52 | 120.7 | 169.9 | -75.4 | -176.7 | 176.1 | -178.3 | 0 | 108.4 | P287 | P287-K289 PolarHBondContact O-N 2.87Å; P287-K289 VanDerWaalsContact O-N 3.11Å |
| 290 | R | 40.2 | Very low | 41.5 | Very low | 229 Ų | 229 | 140.7 Ų | 140.7 | 86% | 0.864 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 139.8 | 173.9 | -64.8 | -174.1 | -162.4 | -174 | 5.5 | 108.8 | R288 | R288-R290 PolarHBondContact O-N 3.19Š|
| 291 | P | 42 | Very low | 41 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 149.7 | 170 | 26.3 | -31.6 | 0 | 0 | 0 | 110 | E293 | P291-E293 PolarHBondContact O-N 2.8Š|
| 292 | P | 41.6 | Very low | 40.3 | Very low | 118 Ų | 118 | 148 Ų | 148 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -59 | 133.5 | 179.7 | 23.8 | -32.2 | 0 | 0 | 0 | 110.7 | T294 | P292-T294 PolarHBondContact O-N 2.81Å; P292-T294 VanDerWaalsContact O-N 3.07Å |
| 293 | E | 33.6 | Very low | 39.8 | Very low | 130 Ų | 130 | 147.3 Ų | 147.3 | 61% | 0.607 | 71% | 0.712 | S | S | * | * | | | trans | -64.7 | 104.9 | 174.2 | -71.6 | -176 | 158.7 | 0 | 0 | 109.5 | P291 R295 | P291-E293 PolarHBondContact O-N 2.8Å; E293-R295 PolarHBondContact O-N 3.45Å; E293-R295 VanDerWaalsContact O-N 3.11Å |
| 294 | T | 33.1 | Very low | 39.1 | Very low | 109 Ų | 109 | 151.3 Ų | 151.3 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | | | trans | -67.4 | 106 | 169.7 | -49.5 | 0 | 0 | 0 | 0 | 109.2 | P292 V296 | P292-T294 PolarHBondContact O-N 2.81Å; P292-T294 VanDerWaalsContact O-N 3.07Å; T294-V296 HydrophobicContact CG2-CG2 4.26Å |
| 295 | R | 29.9 | Very low | 38.2 | Very low | 174 Ų | 174 | 154.8 Ų | 154.8 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | | | trans | -87.3 | 114.9 | 171.7 | -68.3 | -175.6 | 178.2 | -174.1 | -0.4 | 109.2 | E293 Y297 | E293-R295 PolarHBondContact O-N 3.45Å; E293-R295 VanDerWaalsContact O-N 3.11Å; R295-Y297 HydrophobicContact CB-CE2 4.13Å |
| 296 | V | 31 | Very low | 37.5 | Very low | 58 Ų | 58 | 154.6 Ų | 154.6 | 35% | 0.352 | 71% | 0.714 | S | S | . | * | | | trans | -97.4 | 113 | 175.5 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | T294 I298 L339 | T294-V296 HydrophobicContact CG2-CG2 4.26Å; V296-I298 HydrophobicContact CG1-CG1 4.29Å; V296-L339 HydrophobicContact CG1-CD2 3.81Å |
| 297 | Y | 32.9 | Very low | 36.9 | Very low | 176 Ų | 176 | 153 Ų | 153 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | | | trans | -89.4 | 122.3 | 172.8 | -64.7 | -85.7 | 0 | 0 | 0 | 109.8 | R295 | R295-Y297 HydrophobicContact CB-CE2 4.13Š|
| 298 | I | 34.4 | Very low | 36.4 | Very low | 77 Ų | 77 | 158.5 Ų | 158.5 | 40% | 0.395 | 73% | 0.726 | S | S | . | * | | | trans | -104.3 | 106.2 | 175.9 | -56.3 | 176.5 | 0 | 0 | 0 | 108.6 | V296 V300 | V296-I298 HydrophobicContact CG1-CG1 4.29Å; I298-V300 HydrophobicContact CG2-CG2 3.98Å; I298-V300 PolarHBondContact O-N 3.41Å |
| 299 | F | 35.1 | Very low | 36.1 | Very low | 183 Ų | 183 | 151.4 Ų | 151.4 | 80% | 0.803 | 71% | 0.705 | S | S | * | * | | | trans | -79.1 | 113.1 | 170.1 | -99.5 | -93.2 | 0 | 0 | 0 | 110.2 | | |
| 300 | V | 34.3 | Very low | 35.6 | Very low | 97 Ų | 97 | 146.2 Ų | 146.2 | 59% | 0.588 | 69% | 0.693 | S | S | * | * | | | trans | -101.2 | 92.5 | 174.8 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | F52 I298 R302 | F52-V300 HydrophobicContact CZ-CG2 3.92Å; I298-V300 HydrophobicContact CG2-CG2 3.98Å; I298-V300 PolarHBondContact O-N 3.41Å; V300-R302 PolarHBondContact O-N 2.94Å |
| 301 | S | 35.5 | Very low | 35.1 | Very low | 89 Ų | 89 | 143.6 Ų | 143.6 | 62% | 0.622 | 69% | 0.688 | S | S | * | * | | | trans | -76.7 | 115.5 | 170.4 | -64.5 | 0 | 0 | 0 | 0 | 110.3 | F303 | S301-F303 PolarHBondContact O-N 3.01Š|
| 302 | R | 33.9 | Very low | 34.8 | Very low | 244 Ų | 244 | 149.8 Ų | 149.8 | 92% | 0.921 | 70% | 0.697 | S | S | * | * | | | trans | -70.6 | 110.3 | 174.6 | -105.3 | -177.2 | 177.2 | 162.6 | 0.7 | 110.5 | V300 | V300-R302 PolarHBondContact O-N 2.94Š|
| 303 | F | 33.2 | Very low | 34.6 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 70% | 0.697 | 69% | 0.692 | S | S | * | * | | | trans | -91.5 | 118.4 | 163.9 | -81.3 | -85.7 | 0 | 0 | 0 | 111 | S301 N305 F306 | S301-F303 PolarHBondContact O-N 3.01Å; F303-N305 PolarHBondContact O-N 2.91Å; F303-F306 HydrophobicContact CB-CE2 4.39Å |
| 304 | R | 34.8 | Very low | 34.8 | Very low | 240 Ų | 240 | 148.9 Ų | 148.9 | 91% | 0.906 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -68.6 | 96.8 | 164.3 | -78.5 | 178.8 | 169.3 | 170.3 | -2.9 | 108.2 | | |
| 305 | N | 35.7 | Very low | 35 | Very low | 152 Ų | 152 | 155.2 Ų | 155.2 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | | | trans | 151.3 | 58.8 | 154.5 | -81.5 | -23.4 | 0 | 0 | 0 | 113.2 | F303 | F303-N305 PolarHBondContact O-N 2.91Š|
| 306 | F | 39.9 | Very low | 35.1 | Very low | 126 Ų | 126 | 157.7 Ų | 157.7 | 55% | 0.553 | 72% | 0.719 | S | S | * | * | | | trans | -87 | 4.2 | 177.4 | -96.6 | -86.5 | 0 | 0 | 0 | 115.5 | F303 R308 F335 | F303-F306 HydrophobicContact CB-CE2 4.39Å; F306-R308 VanDerWaalsContact C-N 3.26Å; F306-R308 PolarHBondContact O-N 3Å; F306-R308 VanDerWaalsContact O-N 3.16Å; F306-F335 HydrophobicContact CE1-CE1 4.33Å; F306-F335 AromaticContact CE1-CZ 3.66Å; F306-F335 HydrophobicContact CE1-CZ 3.66Å; F306-F335 HydrophobicContact CE2-CE1 4.43Å; F306-F335 HydrophobicContact CE2-CZ 4.42Å; F306-F335 AromaticContact CZ-CE1 3.57Å; F306-F335 HydrophobicContact CZ-CE1 3.57Å; F306-F335 AromaticContact CZ-CZ 3.33Å; F306-F335 HydrophobicContact CZ-CZ 3.33Å |
| 307 | N | 37 | Very low | 35.2 | Very low | 169 Ų | 169 | 159.3 Ų | 159.3 | 90% | 0.904 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 15.9 | -174.8 | -84 | -18.1 | 0 | 0 | 0 | 115.5 | | |
| 308 | R | 38.5 | Very low | 35.3 | Very low | 236 Ų | 236 | 155.7 Ų | 155.7 | 89% | 0.891 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.6 | 12.4 | -172.6 | -86.5 | -166.8 | 175.5 | -178.1 | -0.6 | 117.6 | F306 P310 | F306-R308 VanDerWaalsContact C-N 3.26Å; F306-R308 PolarHBondContact O-N 3Å; F306-R308 VanDerWaalsContact O-N 3.16Å; R308-P310 WeakPolarHBondContact O-CD 3.36Å |
| 309 | I | 36 | Very low | 35.3 | Very low | 93 Ų | 93 | 156.6 Ų | 156.6 | 48% | 0.477 | 76% | 0.757 | S | S | . | * | | | trans | -105.5 | 113 | -178.2 | -52.6 | 178.3 | 0 | 0 | 0 | 111 | | |
| 310 | P | 34.1 | Very low | 35.1 | Very low | 99 Ų | 99 | 156.6 Ų | 156.6 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | | | trans | -68 | 141.6 | 177.1 | 25.3 | -31.1 | 0 | 0 | 0 | 112.4 | R308 R312 | R308-P310 WeakPolarHBondContact O-CD 3.36Å; P310-R312 PolarHBondContact O-N 3.43Å |
| 311 | F | 31.6 | Very low | 34.9 | Very low | 174 Ų | 174 | 156.2 Ų | 156.2 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 7.6 | -165.6 | -86.6 | -95.8 | 0 | 0 | 0 | 117.8 | | |
| 312 | R | 35.1 | Very low | 34.7 | Very low | 243 Ų | 243 | 159 Ų | 159 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -12.6 | -174.2 | -83.2 | -173.8 | 173.3 | 177.4 | -1.7 | 115.6 | P310 | P310-R312 PolarHBondContact O-N 3.43Š|
| 313 | T | 37.6 | Very low | 34.5 | Very low | 110 Ų | 110 | 156.6 Ų | 156.6 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -97.9 | -6 | -169.5 | -32 | 0 | 0 | 0 | 0 | 114.9 | | |
| 314 | V | 38.2 | Very low | 34.6 | Very low | 118 Ų | 118 | 155.6 Ų | 155.6 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -8.4 | -173.4 | -172.4 | 0 | 0 | 0 | 0 | 113.2 | R316 | V314-R316 PolarHBondContact O-N 3.39Š|
| 315 | R | 35.5 | Very low | 34.4 | Very low | 242 Ų | 242 | 155.4 Ų | 155.4 | 91% | 0.913 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -5.9 | -178.7 | -84.3 | -171.9 | 178.1 | 173.2 | -0.1 | 115.7 | | |
| 316 | R | 32.7 | Very low | 34.1 | Very low | 227 Ų | 227 | 154.9 Ų | 154.9 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -104.7 | -11.1 | -174.9 | -131.4 | 177.2 | -164.2 | 177.2 | 3.4 | 115.5 | V314 | V314-R316 PolarHBondContact O-N 3.39Š|
| 317 | A | 34.2 | Very low | 33.8 | Very low | 91 Ų | 91 | 156.9 Ų | 156.9 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -5.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 318 | A | 35 | Very low | 33.7 | Very low | 101 Ų | 101 | 153.6 Ų | 153.6 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 6.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 319 | S | 34.2 | Very low | 33.2 | Very low | 95 Ų | 95 | 148.7 Ų | 148.7 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -118.6 | 0.3 | -170.4 | -172.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 320 | Y | 30.9 | Very low | 33.1 | Very low | 184 Ų | 184 | 149.8 Ų | 149.8 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | | | trans | -119.5 | 87 | 177.1 | -88.6 | -92.3 | 0 | 0 | 0 | 109.7 | E322 | Y320-E322 VanDerWaalsContact C-N 3.26Å; Y320-E322 HydrophobicContact CD1-CB 4.35Å; Y320-E322 PolarHBondContact O-N 2.98Å |
| 321 | G | 29.1 | Very low | 32.6 | Very low | 89 Ų | 89 | 152.6 Ų | 152.6 | 92% | 0.918 | 80% | 0.795 | S | S | * | * | | | trans | -76.4 | 86.6 | 153.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 322 | E | 32.5 | Very low | 32.5 | Very low | 148 Ų | 148 | 155.4 Ų | 155.4 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | | | trans | -145.8 | 128.7 | 173.4 | -139.7 | 174.5 | 179.9 | 0 | 0 | 111 | Y320 V324 | Y320-E322 VanDerWaalsContact C-N 3.26Å; Y320-E322 HydrophobicContact CD1-CB 4.35Å; Y320-E322 PolarHBondContact O-N 2.98Å; E322-V324 PolarHBondContact O-N 3.04Å |
| 323 | Q | 28.2 | Very low | 32.2 | Very low | 192 Ų | 192 | 152.5 Ų | 152.5 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | | | trans | -52 | 119.9 | 178.3 | -64.6 | 168.9 | 14.6 | 0 | 0 | 110.4 | | |
| 324 | V | 35 | Very low | 31.8 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | | | trans | -135.6 | 118 | 162.4 | -172.3 | 0 | 0 | 0 | 0 | 110.6 | E322 | E322-V324 PolarHBondContact O-N 3.04Š|
| 325 | R | 30.8 | Very low | 31.4 | Very low | 236 Ų | 236 | 152.8 Ų | 152.8 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | | | trans | -53.9 | 153.4 | 175.6 | -75.5 | 171 | 167.3 | 176.1 | -4.5 | 112.2 | D327 | R325-D327 PolarHBondContact O-N 3.03Š|
| 326 | N | 31.1 | Very low | 31.2 | Very low | 141 Ų | 141 | 150.5 Ų | 150.5 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | | | trans | -52 | 116.8 | 170.9 | -56.3 | -65 | 0 | 0 | 0 | 111.2 | | |
| 327 | D | 33.2 | Very low | 31.1 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | | | trans | -151.5 | 131.1 | 141.5 | -90.9 | -36 | 0 | 0 | 0 | 108.6 | R325 | R325-D327 PolarHBondContact O-N 3.03Š|
| 328 | V | 34 | Very low | 31.2 | Very low | 101 Ų | 101 | 146.2 Ų | 146.2 | 61% | 0.612 | 78% | 0.78 | S | S | * | * | | | trans | -103.2 | 110.7 | -161.1 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 329 | T | 28.2 | Very low | 31 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | | | trans | -151.5 | 101.2 | 150.8 | -34.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 330 | P | 34 | Very low | 30.9 | Very low | 115 Ų | 115 | 151.3 Ų | 151.3 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | | | trans | -97.3 | 108.3 | -177.1 | 33.8 | -25.4 | 0 | 0 | 0 | 110.6 | | |
| 331 | L | 24.8 | Very low | 31 | Very low | 158 Ų | 158 | 149.2 Ų | 149.2 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | | | trans | -115.6 | 127.2 | 160.6 | -85.7 | 165.8 | 0 | 0 | 0 | 109 | | |
| 332 | R | 27.9 | Very low | 31.3 | Very low | 233 Ų | 233 | 154 Ų | 154 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 83.5 | 102.5 | 169.8 | -58.2 | -173.5 | 173.6 | -171 | -0.9 | 117.2 | G334 | R332-G334 PolarHBondContact O-N 3.03Š|
| 333 | L | 28.5 | Very low | 31.2 | Very low | 183 Ų | 183 | 154.4 Ų | 154.4 | 96% | 0.958 | 78% | 0.78 | S | S | * | * | | | trans | 28.8 | 80.3 | 150 | -84 | 83 | 0 | 0 | 0 | 115.3 | | |
| 334 | G | 29.9 | Very low | 31.4 | Very low | 67 Ų | 67 | 152.4 Ų | 152.4 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | trans | -145.2 | 127.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | R332 R336 | R332-G334 PolarHBondContact O-N 3.03Å; G334-R336 PolarHBondContact O-N 3.22Å |
| 335 | F | 29.8 | Very low | 31.2 | Very low | 167 Ų | 167 | 153.1 Ų | 153.1 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | | | trans | -53.6 | 126.2 | 173.8 | -65.8 | -88.8 | 0 | 0 | 0 | 110.4 | F306 | F306-F335 HydrophobicContact CE1-CE1 4.33Å; F306-F335 AromaticContact CE1-CZ 3.66Å; F306-F335 HydrophobicContact CE1-CZ 3.66Å; F306-F335 HydrophobicContact CE2-CE1 4.43Å; F306-F335 HydrophobicContact CE2-CZ 4.42Å; F306-F335 AromaticContact CZ-CE1 3.57Å; F306-F335 HydrophobicContact CZ-CE1 3.57Å; F306-F335 AromaticContact CZ-CZ 3.33Å; F306-F335 HydrophobicContact CZ-CZ 3.33Å |
| 336 | R | 30.9 | Very low | 31.2 | Very low | 193 Ų | 193 | 148.2 Ų | 148.2 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | | | trans | -106 | 98 | 170.5 | -152.1 | 178.9 | -167.5 | -168.8 | 3.1 | 108.2 | G334 V338 | G334-R336 PolarHBondContact O-N 3.22Å; R336-V338 HydrophobicContact CG-CG2 4.24Å |
| 337 | L | 31.5 | Very low | 31.2 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 61% | 0.607 | 76% | 0.763 | S | S | * | * | | | trans | -83.1 | 111.5 | 166.3 | -168.4 | 78.1 | 0 | 0 | 0 | 107 | L339 | L337-L339 HydrophobicContact CD2-CD1 3.93Š|
| 338 | V | 35.5 | Very low | 31.1 | Very low | 112 Ų | 112 | 147.5 Ų | 147.5 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | | | trans | -96.4 | 104.7 | 173.6 | -179.4 | 0 | 0 | 0 | 0 | 107.3 | R336 | R336-V338 HydrophobicContact CG-CG2 4.24Š|
| 339 | L | 31.8 | Very low | 30.9 | Very low | 106 Ų | 106 | 150.8 Ų | 150.8 | 56% | 0.555 | 76% | 0.764 | S | S | * | * | | | trans | -84.6 | 111.6 | 165.7 | -90.5 | 136.9 | 0 | 0 | 0 | 107.8 | V296 L337 | V296-L339 HydrophobicContact CG1-CD2 3.81Å; L337-L339 HydrophobicContact CD2-CD1 3.93Å |
| 340 | R | 30.9 | Very low | 31.1 | Very low | 197 Ų | 197 | 152.2 Ų | 152.2 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | trans | -90.4 | 120.7 | 165.2 | -171.9 | 175.9 | 179 | 141.4 | 1.9 | 107.4 | D342 | R340-D342 IonicContact NE-OD1 3.89Å; R340-D342 IonicContact NE-OD2 3.57Å |
| 341 | I | 33.9 | Very low | 30.8 | Very low | 140 Ų | 140 | 155.3 Ų | 155.3 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | | | trans | -104.9 | 118 | 171.2 | -55 | 174.5 | 0 | 0 | 0 | 105 | | |
| 342 | D | 34.6 | Very low | 31.4 | Very low | 191 Ų | 191 | 155 Ų | 155 | 100% | 1.021 | 76% | 0.756 | S | S | * | * | | | trans | -100.8 | 0 | 167.2 | -83.4 | -48 | 0 | 0 | 0 | 109.9 | R340 | R340-D342 IonicContact NE-OD1 3.89Å; R340-D342 IonicContact NE-OD2 3.57Å |