| 1 | M | 37.6 | Very low | 36.7 | Very low | 247 Ų | 247 | 159 Ų | 159 | 100% | 1.217 | 87% | 0.865 | S | S | * | * | | | | 0 | 98.2 | 0 | -73.9 | -171.7 | 166.4 | 0 | 0 | 107.3 | | |
| 2 | E | 30 | Very low | 38 | Very low | 200 Ų | 200 | 154.3 Ų | 154.3 | 94% | 0.935 | 85% | 0.849 | S | S | * | * | | | trans | -81.8 | 128.3 | 172.2 | -78.6 | 176 | 132.3 | 0 | 0 | 109.6 | | |
| 3 | S | 39.5 | Very low | 38.6 | Very low | 115 Ų | 115 | 159.3 Ų | 159.3 | 80% | 0.804 | 85% | 0.847 | S | S | * | * | | | trans | -163.3 | 69.3 | 154.2 | 48 | 0 | 0 | 0 | 0 | 110 | K5 | S3-K5 PolarHBondContact O-N 3.45Š|
| 4 | D | 37.4 | Very low | 39.5 | Very low | 166 Ų | 166 | 154.4 Ų | 154.4 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | | | trans | -81.2 | 94.4 | 153.3 | -90.1 | -36.2 | 0 | 0 | 0 | 108 | | |
| 5 | K | 38.3 | Very low | 40.3 | Very low | 199 Ų | 199 | 150.5 Ų | 150.5 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | | | trans | -173.2 | 111.3 | 159.8 | -103.4 | 153.5 | -171.4 | 179.3 | 0 | 110 | S3 | S3-K5 PolarHBondContact O-N 3.45Š|
| 6 | S | 36.5 | Very low | 41 | Very low | 130 Ų | 130 | 149.8 Ų | 149.8 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | | | trans | 125.4 | 126.8 | 143.7 | 72.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 7 | G | 30.9 | Very low | 41.6 | Very low | 65 Ų | 65 | 153.8 Ų | 153.8 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | | | trans | 111.2 | 105.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 8 | L | 38.5 | Very low | 42.3 | Very low | 183 Ų | 183 | 157 Ų | 157 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | | | | -159.1 | 102.4 | 120.3 | -100.3 | 160 | 0 | 0 | 0 | 109.6 | | |
| 9 | I | 37.6 | Very low | 42.8 | Very low | 158 Ų | 158 | 155.3 Ų | 155.3 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | -58.8 | 130.2 | -178.7 | -66.2 | 154.6 | 0 | 0 | 0 | 109.9 | S11 | I9-S11 PolarHBondContact O-N 3.5Å; I9-S11 VanDerWaalsContact O-N 3.16Å |
| 10 | K | 39.4 | Very low | 43.1 | Very low | 203 Ų | 203 | 150.2 Ų | 150.2 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | -63.1 | 113.6 | 174.3 | -72.9 | 173.4 | 179.5 | 170.9 | 0 | 109.7 | | |
| 11 | S | 38.4 | Very low | 43.6 | Very low | 83 Ų | 83 | 152.9 Ų | 152.9 | 58% | 0.58 | 79% | 0.785 | S | S | * | * | | | trans | -48.8 | 131.8 | 176.2 | 173.6 | 0 | 0 | 0 | 0 | 113.3 | I9 R13 | I9-S11 PolarHBondContact O-N 3.5Å; I9-S11 VanDerWaalsContact O-N 3.16Å; S11-R13 PolarHBondContact O-N 2.97Å; S11-R13 VanDerWaalsContact O-N 3.09Å |
| 12 | P | 51.4 | Low | 44.5 | Very low | 103 Ų | 103 | 145.2 Ų | 145.2 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 6.6 | -177.5 | -14 | 28.5 | 0 | 0 | 0 | 116 | S14 | P12-S14 VanDerWaalsContact C-N 3.26Å; P12-S14 PolarHBondContact O-N 3.07Å |
| 13 | R | 45.8 | Very low | 45.6 | Very low | 219 Ų | 219 | 141.4 Ų | 141.4 | 83% | 0.826 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -69.4 | -14.2 | -171.3 | -91.2 | -175.1 | 172.5 | -177.9 | -0.9 | 115.4 | S11 | S11-R13 PolarHBondContact O-N 2.97Å; S11-R13 VanDerWaalsContact O-N 3.09Å |
| 14 | S | 51.6 | Low | 46.5 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -81.1 | -21.9 | -177 | 66.5 | 0 | 0 | 0 | 0 | 114.2 | P12 | P12-S14 VanDerWaalsContact C-N 3.26Å; P12-S14 PolarHBondContact O-N 3.07Å |
| 15 | V | 51.3 | Low | 47.4 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 58% | 0.576 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -80.4 | -41 | -175 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | R17 R18 | V15-R17 VanDerWaalsContact C-N 3.28Å; V15-R17 PolarHBondContact O-N 3.16Å; V15-R18 PolarHBondContact O-N 3.14Å |
| 16 | L | 51.2 | Low | 48 | Very low | 139 Ų | 139 | 135.1 Ų | 135.1 | 73% | 0.728 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -60.4 | -34.1 | -179.9 | -95.2 | 139 | 0 | 0 | 0 | 113.2 | R18 | L16-R18 VanDerWaalsContact C-N 3.31Å; L16-R18 PolarHBondContact O-N 3.18Å |
| 17 | R | 52.3 | Low | 48.4 | Very low | 219 Ų | 219 | 131.1 Ų | 131.1 | 83% | 0.826 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -73.3 | -20.7 | -177.6 | -140.2 | -178.5 | -179.8 | -163.7 | 0.2 | 113.6 | V15 | V15-R17 VanDerWaalsContact C-N 3.28Å; V15-R17 PolarHBondContact O-N 3.16Å |
| 18 | R | 53.2 | Low | 49.4 | Very low | 211 Ų | 211 | 134.5 Ų | 134.5 | 80% | 0.796 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -82.5 | -33 | 178.2 | -82.1 | -173.6 | 173.9 | -171.7 | -0.6 | 113.2 | V15 L16 | V15-R18 PolarHBondContact O-N 3.14Å; L16-R18 VanDerWaalsContact C-N 3.31Å; L16-R18 PolarHBondContact O-N 3.18Å |
| 19 | Q | 53.2 | Low | 50.2 | Low | 125 Ų | 125 | 131 Ų | 131 | 58% | 0.584 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72.5 | -32.4 | 179.8 | -83.5 | 177.5 | -10.2 | 0 | 0 | 113.7 | R21 T22 | Q19-R21 VanDerWaalsContact C-N 3.27Å; Q19-R21 PolarHBondContact O-N 3Å; Q19-T22 PolarHBondContact O-N 3.04Å; Q19-T22 PolarHBondContact O-OG1 3.35Å; Q19-T22 VanDerWaalsContact O-OG1 3.05Å |
| 20 | G | 48.1 | Very low | 50.9 | Low | 53 Ų | 53 | 131.4 Ų | 131.4 | 55% | 0.546 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -62.1 | -31.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 21 | R | 54.3 | Low | 51.3 | Low | 207 Ų | 207 | 126 Ų | 126 | 78% | 0.781 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -77.6 | -31.4 | -179.2 | -99.1 | -175.7 | 172.1 | -173.5 | -2.6 | 113.9 | Q19 | Q19-R21 VanDerWaalsContact C-N 3.27Å; Q19-R21 PolarHBondContact O-N 3Å |
| 22 | T | 56.6 | Low | 51.7 | Low | 86 Ų | 86 | 128.4 Ų | 128.4 | 53% | 0.528 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -75.5 | -30.1 | -178.1 | 49.9 | 0 | 0 | 0 | 0 | 112.7 | Q19 R26 | Q19-T22 PolarHBondContact O-N 3.04Å; Q19-T22 PolarHBondContact O-OG1 3.35Å; Q19-T22 VanDerWaalsContact O-OG1 3.05Å; T22-R26 PolarHBondContact O-N 3.33Å |
| 23 | N | 51.4 | Low | 51.6 | Low | 119 Ų | 119 | 128.5 Ų | 128.5 | 64% | 0.636 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -75.4 | -30.5 | -179.4 | -66.4 | -12.9 | 0 | 0 | 0 | 112.7 | G27 | N23-G27 PolarHBondContact O-N 3.27Å |
| 24 | S | 58.8 | Low | 51.4 | Low | 75 Ų | 75 | 124.7 Ų | 124.7 | 52% | 0.524 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67.5 | -40.4 | 176 | 174.5 | 0 | 0 | 0 | 0 | 112.6 | G27 | S24-G27 PolarHBondContact O-N 2.84Å |
| 25 | I | 56.3 | Low | 51.1 | Low | 107 Ų | 107 | 129.4 Ų | 129.4 | 55% | 0.549 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -70.7 | -35.9 | -179.4 | -61.5 | 170.3 | 0 | 0 | 0 | 111.2 | G27 Q28 I29 | I25-G27 VanDerWaalsContact C-N 3.32Å; I25-G27 PolarHBondContact O-N 2.8Å; I25-Q28 PolarHBondContact O-N 2.86Å; I25-I29 HydrophobicContact CG2-CD1 4.4Å |
| 26 | R | 51.3 | Low | 50.6 | Low | 166 Ų | 166 | 133 Ų | 133 | 63% | 0.626 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -69.6 | -28.4 | 179.7 | -156.8 | 176.1 | -170.2 | -175.1 | 2.5 | 113 | T22 | T22-R26 PolarHBondContact O-N 3.33Å |
| 27 | G | 44.9 | Very low | 49.7 | Very low | 47 Ų | 47 | 132.9 Ų | 132.9 | 49% | 0.485 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -67.8 | -36.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N23 S24 I25 I29 | N23-G27 PolarHBondContact O-N 3.27Å; S24-G27 PolarHBondContact O-N 2.84Å; I25-G27 VanDerWaalsContact C-N 3.32Å; I25-G27 PolarHBondContact O-N 2.8Å; G27-I29 PolarHBondContact O-N 3.14Å |
| 28 | Q | 52.7 | Low | 49 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 63% | 0.631 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -74.3 | -24.1 | -177.3 | -69.3 | -174.5 | -10 | 0 | 0 | 113.9 | I25 S31 | I25-Q28 PolarHBondContact O-N 2.86Å; Q28-S31 PolarHBondContact O-OG 3.04Å |
| 29 | I | 55 | Low | 47.9 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 56% | 0.564 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -80.2 | -30.6 | -178.3 | -60.1 | 171 | 0 | 0 | 0 | 111.5 | I25 G27 | I25-I29 HydrophobicContact CG2-CD1 4.4Å; G27-I29 PolarHBondContact O-N 3.14Å |
| 30 | R | 50.9 | Low | 46.8 | Very low | 167 Ų | 167 | 125.8 Ų | 125.8 | 63% | 0.63 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -76.6 | -21.2 | -177.8 | -73.1 | -177.4 | 179.9 | 166.2 | -3.1 | 114.3 | L32 T33 | R30-L32 VanDerWaalsContact C-N 3.32Å; R30-T33 PolarHBondContact O-OG1 3.23Å |
| 31 | S | 49.2 | Very low | 46.3 | Very low | 88 Ų | 88 | 129.7 Ų | 129.7 | 62% | 0.615 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -17.5 | 178 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | Q28 | Q28-S31 PolarHBondContact O-OG 3.04Š|
| 32 | L | 46.2 | Very low | 44.9 | Very low | 135 Ų | 135 | 127 Ų | 127 | 71% | 0.707 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -22 | -176.4 | -75.3 | 162.9 | 0 | 0 | 0 | 113.9 | R30 N34 | R30-L32 VanDerWaalsContact C-N 3.32Å; L32-N34 PolarHBondContact O-N 2.97Å |
| 33 | T | 49.1 | Very low | 43.6 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 64% | 0.644 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -81 | -12.9 | -173.6 | 47.9 | 0 | 0 | 0 | 0 | 114.9 | R30 | R30-T33 PolarHBondContact O-OG1 3.23Š|
| 34 | N | 41 | Very low | 42.5 | Very low | 138 Ų | 138 | 134 Ų | 134 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -93.2 | 8.5 | -174 | -75.1 | 1.8 | 0 | 0 | 0 | 115.3 | L32 | L32-N34 PolarHBondContact O-N 2.97Š|
| 35 | K | 45.4 | Very low | 41 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 83% | 0.83 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -124.2 | 12.6 | -176.6 | -73.2 | -163.3 | 176.2 | -171.5 | 0 | 116.6 | | |
| 36 | M | 40.6 | Very low | 39.7 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 84% | 0.842 | 72% | 0.723 | S | S | * | * | | | trans | -132.4 | 45.6 | -176.9 | -62 | -171.2 | 94 | 0 | 0 | 114.1 | P38 | M36-P38 WeakPolarHBondContact O-CD 3.43Š|
| 37 | T | 33.9 | Very low | 39.2 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 83% | 0.828 | 73% | 0.732 | S | S | * | * | | | trans | -89.4 | 100.6 | 164.5 | 9.5 | 0 | 0 | 0 | 0 | 109.7 | Q39 | T37-Q39 PolarHBondContact O-N 3.15Š|
| 38 | P | 36 | Very low | 38.3 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 120.4 | 171.2 | 27.6 | -31.9 | 0 | 0 | 0 | 110.8 | M36 | M36-P38 WeakPolarHBondContact O-CD 3.43Š|
| 39 | Q | 30.5 | Very low | 37.5 | Very low | 170 Ų | 170 | 146.9 Ų | 146.9 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 128.8 | 170.1 | -91.8 | -92.7 | 42.5 | 0 | 0 | 110.6 | T37 | T37-Q39 PolarHBondContact O-N 3.15Š|
| 40 | P | 30.7 | Very low | 36 | Very low | 115 Ų | 115 | 150 Ų | 150 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 121.8 | 176.2 | 31.7 | -29.9 | 0 | 0 | 0 | 111 | | |
| 41 | V | 38.3 | Very low | 34.9 | Very low | 136 Ų | 136 | 151.1 Ų | 151.1 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | -111.7 | 112.8 | 173.3 | -167.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 42 | N | 24.8 | Very low | 33.7 | Very low | 149 Ų | 149 | 156 Ų | 156 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | -56.4 | 139.5 | 162.6 | -79.3 | -37.3 | 0 | 0 | 0 | 110.9 | | |
| 43 | K | 29.1 | Very low | 32.7 | Very low | 200 Ų | 200 | 154.1 Ų | 154.1 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | | | | 177 | 124.5 | 128 | -98.4 | 168.8 | -173.4 | -169.6 | 0 | 113.8 | | |
| 44 | L | 28.5 | Very low | 32.1 | Very low | 154 Ų | 154 | 156.1 Ų | 156.1 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | | | | 91.6 | 131 | 128.4 | -140.3 | 74.6 | 0 | 0 | 0 | 120.9 | | |
| 45 | E | 27.2 | Very low | 31.4 | Very low | 144 Ų | 144 | 156.7 Ų | 156.7 | 67% | 0.673 | 80% | 0.801 | S | S | * | * | | | trans | -55.1 | 164 | 166.1 | -63.6 | 99.1 | 166.2 | 0 | 0 | 115.3 | | |
| 46 | D | 29.1 | Very low | 31.1 | Very low | 140 Ų | 140 | 153.4 Ų | 153.4 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | | | trans | 66.6 | 97.9 | 150.4 | -63.5 | -27.8 | 0 | 0 | 0 | 120.4 | | |
| 47 | I | 41.2 | Very low | 30.7 | Very low | 160 Ų | 160 | 153.1 Ų | 153.1 | 82% | 0.821 | 79% | 0.794 | S | S | * | * | | | trans | -139.6 | 99.7 | 134.3 | -53.8 | -179.1 | 0 | 0 | 0 | 109.5 | | |
| 48 | K | 24.5 | Very low | 30.6 | Very low | 184 Ų | 184 | 154.2 Ų | 154.2 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | | | trans | -81.7 | 126.1 | 157.7 | -74.4 | 174.1 | 175.7 | 174 | 0 | 108.6 | | |
| 49 | H | 35.5 | Very low | 30.7 | Very low | 171 Ų | 171 | 154.3 Ų | 154.3 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | trans | -157.8 | 108.2 | 154.1 | -82.5 | -28.8 | 0 | 0 | 0 | 105.5 | | |
| 50 | E | 24.1 | Very low | 31 | Very low | 176 Ų | 176 | 152.1 Ų | 152.1 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | | 47 | 112 | 67 | -77.4 | -156.6 | 161.8 | 0 | 0 | 114.8 | | |
| 51 | Q | 27.4 | Very low | 31.2 | Very low | 190 Ų | 190 | 152.7 Ų | 152.7 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | | | trans | 144.7 | 156.2 | 143.2 | -84.2 | 174.8 | 5.6 | 0 | 0 | 111.4 | | |
| 52 | K | 24.6 | Very low | 31.3 | Very low | 191 Ų | 191 | 152.7 Ų | 152.7 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | | | cis | -170 | 147.3 | -45.2 | -129.9 | 178.6 | 179.6 | 178.2 | 0 | 104.3 | | |
| 53 | S | 24.9 | Very low | 32 | Very low | 96 Ų | 96 | 157.3 Ų | 157.3 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | | | trans | -29.1 | 144.6 | 170.8 | 54 | 0 | 0 | 0 | 0 | 119.6 | | |
| 54 | V | 35.8 | Very low | 32.6 | Very low | 147 Ų | 147 | 154 Ų | 154 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | | | trans | -148.3 | 141.3 | 130.6 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 55 | I | 27.8 | Very low | 33.3 | Very low | 149 Ų | 149 | 154 Ų | 154 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | | | trans | -96.1 | 144.9 | -175.2 | -66.3 | 154.6 | 0 | 0 | 0 | 109.7 | | |
| 56 | T | 39.1 | Very low | 34.2 | Very low | 123 Ų | 123 | 152 Ų | 152 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | trans | -155.5 | 120.3 | 152.9 | -44.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 57 | E | 31.9 | Very low | 34.8 | Very low | 164 Ų | 164 | 157 Ų | 157 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | | | trans | 17.2 | 156 | 137.2 | -57.1 | -172 | 171.1 | 0 | 0 | 120.5 | | |
| 58 | E | 31.1 | Very low | 35.1 | Very low | 159 Ų | 159 | 157.1 Ų | 157.1 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | | | cis | -173.8 | 169.7 | -8.9 | -105.7 | -153.5 | 176.8 | 0 | 0 | 106.6 | | |
| 59 | T | 37.8 | Very low | 36.2 | Very low | 122 Ų | 122 | 157.1 Ų | 157.1 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | 107 | 130.4 | 158.9 | 70 | 0 | 0 | 0 | 0 | 119.7 | | |
| 60 | P | 37.5 | Very low | 36.4 | Very low | 125 Ų | 125 | 156 Ų | 156 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | | | trans | -121.1 | 93.3 | -161.6 | 35.3 | -14.4 | 0 | 0 | 0 | 112.8 | | |
| 61 | T | 34.9 | Very low | 37.1 | Very low | 126 Ų | 126 | 152 Ų | 152 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -147.8 | 79.6 | 174.3 | 40.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 62 | T | 39.7 | Very low | 38.2 | Very low | 137 Ų | 137 | 154.5 Ų | 154.5 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | trans | 175.6 | 83.3 | 147.6 | 24.3 | 0 | 0 | 0 | 0 | 109.1 | V64 | T62-V64 PolarHBondContact O-N 3.29Š|
| 63 | R | 40.3 | Very low | 39.2 | Very low | 246 Ų | 246 | 154.8 Ų | 154.8 | 93% | 0.928 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 115.8 | 164.6 | -74.5 | 178.2 | 174.2 | 169.6 | -1.1 | 107.3 | | |
| 64 | V | 42.7 | Very low | 39.7 | Very low | 131 Ų | 131 | 158 Ų | 158 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 176.5 | -15.1 | 139.7 | 160.5 | 0 | 0 | 0 | 0 | 112.8 | T62 | T62-V64 PolarHBondContact O-N 3.29Š|
| 65 | N | 41.9 | Very low | 40 | Very low | 152 Ų | 152 | 160.6 Ų | 160.6 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -123.2 | 22 | -177.4 | -84.9 | -14.6 | 0 | 0 | 0 | 118 | | |
| 66 | T | 46.5 | Very low | 40.4 | Very low | 102 Ų | 102 | 158.5 Ų | 158.5 | 63% | 0.626 | 80% | 0.804 | S | S | * | * | | | trans | -121.8 | 9 | 177.9 | 52.7 | 0 | 0 | 0 | 0 | 115.7 | L68 | T66-L68 PolarHBondContact O-N 3.33Å; T66-L68 VanDerWaalsContact O-N 3.15Å |
| 67 | R | 42.7 | Very low | 40.2 | Very low | 245 Ų | 245 | 161.5 Ų | 161.5 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -14.9 | 179.3 | -143.6 | 177.1 | -171.9 | -174.6 | 1.5 | 114 | | |
| 68 | L | 45.5 | Very low | 40.7 | Very low | 163 Ų | 163 | 159.7 Ų | 159.7 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -9.7 | -176.3 | -96.4 | 153.6 | 0 | 0 | 0 | 115.6 | T66 | T66-L68 PolarHBondContact O-N 3.33Å; T66-L68 VanDerWaalsContact O-N 3.15Å |
| 69 | F | 47.8 | Very low | 41 | Very low | 185 Ų | 185 | 158.4 Ų | 158.4 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | -7.9 | -176.9 | -82.8 | -75.5 | 0 | 0 | 0 | 116.3 | | |
| 70 | N | 40.5 | Very low | 41 | Very low | 146 Ų | 146 | 158.3 Ų | 158.3 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -102.9 | 0.9 | 178.4 | -76.4 | -16.4 | 0 | 0 | 0 | 115.5 | R72 | N70-R72 PolarHBondContact O-N 2.88Š|
| 71 | A | 39.7 | Very low | 41.1 | Very low | 93 Ų | 93 | 157.5 Ų | 157.5 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 4.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 72 | R | 48.7 | Very low | 41 | Very low | 242 Ų | 242 | 159.1 Ų | 159.1 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.3 | 18.3 | -176.2 | -139.7 | 176.5 | -173.9 | -174.3 | 0.7 | 115.8 | N70 | N70-R72 PolarHBondContact O-N 2.88Š|
| 73 | K | 46.4 | Very low | 41.1 | Very low | 197 Ų | 197 | 159.8 Ų | 159.8 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | | | trans | -121.8 | 54.5 | 170.5 | -77.8 | -166.6 | 177.6 | -177.1 | 0 | 112.2 | | |
| 74 | Q | 36.5 | Very low | 40.8 | Very low | 164 Ų | 164 | 152.9 Ų | 152.9 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | | | trans | -138.9 | 146.3 | 157.5 | -66.9 | -166.6 | -8.2 | 0 | 0 | 108.7 | | |
| 75 | F | 42.2 | Very low | 40.6 | Very low | 201 Ų | 201 | 154.6 Ų | 154.6 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | | | trans | 87.8 | 63.4 | -168.9 | -45.4 | -63.4 | 0 | 0 | 0 | 115.6 | | |
| 76 | S | 35 | Very low | 40.4 | Very low | 105 Ų | 105 | 154.3 Ų | 154.3 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | -61 | 143 | 142.7 | 55.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 77 | K | 36.1 | Very low | 39.9 | Very low | 187 Ų | 187 | 157 Ų | 157 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | | | trans | 95.8 | 121.6 | 155.2 | -57.4 | -173.6 | -177.1 | -179 | 0 | 117.8 | | |
| 78 | P | 40.5 | Very low | 39.7 | Very low | 126 Ų | 126 | 153.9 Ų | 153.9 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -80.6 | 118 | 176.6 | 32.9 | -29.7 | 0 | 0 | 0 | 109.4 | | |
| 79 | T | 38.5 | Very low | 39.4 | Very low | 132 Ų | 132 | 153.8 Ų | 153.8 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | | | trans | -118.8 | 110.8 | 161.7 | -54.1 | 0 | 0 | 0 | 0 | 106.4 | P81 | T79-P81 WeakPolarHBondContact O-CD 3.17Š|
| 80 | V | 37.8 | Very low | 38.6 | Very low | 120 Ų | 120 | 148.5 Ų | 148.5 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -72.1 | 119 | 179.1 | 177.9 | 0 | 0 | 0 | 0 | 108 | I82 | V80-I82 PolarHBondContact O-N 2.92Š|
| 81 | P | 40.2 | Very low | 38.3 | Very low | 107 Ų | 107 | 148.5 Ų | 148.5 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | | | trans | -75.1 | 113.6 | 171.2 | 27.5 | -28.6 | 0 | 0 | 0 | 109.3 | T79 | T79-P81 WeakPolarHBondContact O-CD 3.17Š|
| 82 | I | 31.6 | Very low | 38 | Very low | 161 Ų | 161 | 149.9 Ų | 149.9 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | | | trans | -80.1 | 119.9 | 167.5 | -58 | 170.8 | 0 | 0 | 0 | 106.4 | V80 | V80-I82 PolarHBondContact O-N 2.92Š|
| 83 | I | 41.2 | Very low | 37.3 | Very low | 150 Ų | 150 | 145 Ų | 145 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -113.6 | 113.5 | 170.6 | -38.4 | 173.5 | 0 | 0 | 0 | 105.8 | | |
| 84 | S | 34.9 | Very low | 36.5 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | | | trans | -67.1 | 133.6 | -178.1 | 52.9 | 0 | 0 | 0 | 0 | 111.3 | D86 | S84-D86 PolarHBondContact O-N 3.3Š|
| 85 | L | 38.1 | Very low | 36.2 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | | | trans | -80.2 | 95.3 | 163.2 | -79.2 | 84.9 | 0 | 0 | 0 | 107.9 | | |
| 86 | D | 38 | Very low | 35.6 | Very low | 147 Ų | 147 | 138 Ų | 138 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | trans | -153.9 | 146.4 | 151 | -100.6 | -31.1 | 0 | 0 | 0 | 107.7 | S84 | S84-D86 PolarHBondContact O-N 3.3Š|
| 87 | D | 36.9 | Very low | 35.4 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | trans | 87.5 | 64.6 | -179.6 | -52.1 | -24.7 | 0 | 0 | 0 | 117 | | |
| 88 | Q | 38.3 | Very low | 35.2 | Very low | 180 Ų | 180 | 134.8 Ų | 134.8 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | | | trans | -106.6 | 66 | 152.1 | -81.5 | -92.2 | -6.2 | 0 | 0 | 109.9 | S90 | Q88-S90 PolarHBondContact O-N 3.01Š|
| 89 | N | 39.5 | Very low | 34.5 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | | | trans | -89.2 | 76.1 | 151.1 | -90.2 | 13.5 | 0 | 0 | 0 | 108.8 | | |
| 90 | S | 31 | Very low | 34 | Very low | 75 Ų | 75 | 139 Ų | 139 | 52% | 0.524 | 78% | 0.783 | S | S | . | * | | | | 44 | 134 | 119.7 | 58.3 | 0 | 0 | 0 | 0 | 120.6 | Q88 | Q88-S90 PolarHBondContact O-N 3.01Š|
| 91 | L | 34.3 | Very low | 33.7 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | trans | 84.9 | 92 | 159.2 | -62.5 | 126.8 | 0 | 0 | 0 | 116.3 | | |
| 92 | T | 31.9 | Very low | 33.3 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | | 50.1 | 85.6 | 76.4 | 77.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 93 | T | 34.6 | Very low | 33.6 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | | | trans | -151.3 | 128.5 | 145.8 | 34.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 94 | S | 29.7 | Very low | 33.2 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -69.4 | 153.2 | 165.7 | -43.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 95 | P | 30.4 | Very low | 33.1 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | | -147.6 | 141.8 | 110.8 | 32.3 | -13.9 | 0 | 0 | 0 | 116.2 | | |
| 96 | Q | 28.5 | Very low | 32.7 | Very low | 184 Ų | 184 | 146 Ų | 146 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | | 43.8 | 115.7 | 128.7 | -63.8 | -172.6 | -31.2 | 0 | 0 | 122.4 | | |
| 97 | S | 31.1 | Very low | 32.5 | Very low | 119 Ų | 119 | 147.6 Ų | 147.6 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | | 8.5 | 118.4 | 125.7 | -173.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 98 | S | 31.8 | Very low | 32.3 | Very low | 107 Ų | 107 | 150 Ų | 150 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | trans | 179.4 | 111.8 | 134.8 | 21.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 99 | R | 26.2 | Very low | 31.8 | Very low | 246 Ų | 246 | 150.3 Ų | 150.3 | 93% | 0.928 | 79% | 0.79 | S | S | * | * | | | | 57.2 | 115.7 | 94.1 | -137.8 | -178 | -169.4 | -160.8 | 2.7 | 114.1 | | |
| 100 | S | 28.2 | Very low | 31.5 | Very low | 100 Ų | 100 | 149 Ų | 149 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | | | trans | 110.5 | 134.7 | 143.1 | -164.6 | 0 | 0 | 0 | 0 | 120.1 | | |
| 101 | T | 32 | Very low | 31.6 | Very low | 117 Ų | 117 | 153.8 Ų | 153.8 | 72% | 0.718 | 81% | 0.808 | S | S | * | * | | | trans | 79.7 | 103.4 | 144.7 | 38.1 | 0 | 0 | 0 | 0 | 122.3 | | |
| 102 | F | 31.8 | Very low | 31.4 | Very low | 175 Ų | 175 | 151.5 Ų | 151.5 | 77% | 0.768 | 80% | 0.804 | S | S | * | * | | | | 64.6 | 105.8 | 128.3 | -94.6 | -96.5 | 0 | 0 | 0 | 120.3 | H104 | F102-H104 AromaticContact CD1-CD2 3.95Å; F102-H104 AromaticContact CE1-CD2 3.72Å; F102-H104 AromaticContact CE1-NE2 3.43Å; F102-H104 WeakPolarHBondContact CE1-NE2 3.32Å |
| 103 | S | 37.2 | Very low | 31.4 | Very low | 114 Ų | 114 | 153.2 Ų | 153.2 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | | | trans | -153.5 | 116 | 140.2 | 170.2 | 0 | 0 | 0 | 0 | 109.1 | K105 | S103-K105 PolarHBondContact O-N 3.44Š|
| 104 | H | 33 | Very low | 31.1 | Very low | 157 Ų | 157 | 154.9 Ų | 154.9 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | -72 | 115.9 | 173.6 | -81 | -86.9 | 0 | 0 | 0 | 110.5 | F102 | F102-H104 AromaticContact CD1-CD2 3.95Å; F102-H104 AromaticContact CE1-CD2 3.72Å; F102-H104 AromaticContact CE1-NE2 3.43Å; F102-H104 WeakPolarHBondContact CE1-NE2 3.32Å |
| 105 | K | 33 | Very low | 31 | Very low | 197 Ų | 197 | 153.7 Ų | 153.7 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | | | trans | -134.1 | 116.2 | 150 | -87.5 | -171.7 | 176.8 | 179 | 0 | 110.1 | S103 M107 | S103-K105 PolarHBondContact O-N 3.44Å; K105-M107 PolarHBondContact O-N 3.38Å |
| 106 | K | 28.6 | Very low | 30.9 | Very low | 194 Ų | 194 | 159 Ų | 159 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | -74.3 | 113.9 | 162.9 | -78.6 | 178.7 | 176.7 | 177.3 | 0 | 107.8 | | |
| 107 | M | 34.7 | Very low | 30.8 | Very low | 179 Ų | 179 | 155.8 Ų | 155.8 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | | | trans | -134.1 | 138.3 | 152.6 | -85.1 | -163.8 | 70.9 | 0 | 0 | 109.1 | K105 | K105-M107 PolarHBondContact O-N 3.38Š|
| 108 | Y | 32.4 | Very low | 30.7 | Very low | 208 Ų | 208 | 155.5 Ų | 155.5 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | | | trans | -75.2 | 136.8 | -172 | -73.4 | -99 | 0 | 0 | 0 | 111.8 | | |
| 109 | K | 28.5 | Very low | 30.4 | Very low | 187 Ų | 187 | 158 Ų | 158 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | 15.6 | 109.6 | 152.7 | -67.3 | -179.3 | 175.6 | -177.8 | 0 | 118 | | |
| 110 | T | 32.8 | Very low | 30.7 | Very low | 133 Ų | 133 | 151.2 Ų | 151.2 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | | | | -148.8 | 91.7 | 127 | 46.1 | 0 | 0 | 0 | 0 | 108.4 | S112 | T110-S112 PolarHBondContact O-N 2.74Š|
| 111 | D | 33.6 | Very low | 30.8 | Very low | 175 Ų | 175 | 153.2 Ų | 153.2 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | | | trans | -75.1 | 83.8 | 167.5 | -69.4 | -39.8 | 0 | 0 | 0 | 108.4 | | |
| 112 | S | 28.5 | Very low | 31 | Very low | 97 Ų | 97 | 153 Ų | 153 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | | | trans | -108.3 | 115.5 | 160.8 | 178.9 | 0 | 0 | 0 | 0 | 105.9 | T110 | T110-S112 PolarHBondContact O-N 2.74Š|
| 113 | I | 33.8 | Very low | 31 | Very low | 160 Ų | 160 | 150 Ų | 150 | 82% | 0.821 | 79% | 0.792 | S | S | * | * | | | trans | 167.2 | 112 | 133.1 | -77.1 | 150 | 0 | 0 | 0 | 106.8 | | |
| 114 | E | 27.7 | Very low | 30.6 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | trans | -65.6 | 151.7 | 164.7 | -156 | 166.7 | -166.1 | 0 | 0 | 110.2 | | |
| 115 | S | 27.2 | Very low | 30.3 | Very low | 92 Ų | 92 | 151.9 Ų | 151.9 | 64% | 0.643 | 80% | 0.802 | S | S | * | * | | | trans | 85.9 | 114.8 | 155.8 | -38.5 | 0 | 0 | 0 | 0 | 117.6 | | |
| 116 | R | 27.7 | Very low | 30.2 | Very low | 223 Ų | 223 | 147.6 Ų | 147.6 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | | | | 164.9 | 127.6 | 92 | -88.1 | -164.5 | 178 | 175.1 | -1.4 | 112.9 | | |
| 117 | T | 27.3 | Very low | 30.1 | Very low | 117 Ų | 117 | 147.4 Ų | 147.4 | 72% | 0.718 | 80% | 0.798 | S | S | * | * | | | trans | 56.6 | 136.8 | 131.6 | 64.8 | 0 | 0 | 0 | 0 | 122.7 | | |
| 118 | S | 29.3 | Very low | 29.8 | Very low | 114 Ų | 114 | 149.2 Ų | 149.2 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | | 108 | 124.4 | 124.2 | 66.6 | 0 | 0 | 0 | 0 | 118.7 | | |
| 119 | M | 24.1 | Very low | 29.6 | Very low | 159 Ų | 159 | 145.4 Ų | 145.4 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | | | trans | -64.2 | 158 | 166.1 | -69.3 | -100.7 | 52 | 0 | 0 | 113.3 | | |
| 120 | P | 34.2 | Very low | 29.7 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | | | trans | -106 | 119.4 | 137.7 | 32.7 | -21.7 | 0 | 0 | 0 | 109.4 | | |
| 121 | V | 29.9 | Very low | 29.4 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | | | | 73.1 | 125.9 | 87.5 | -179.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 122 | S | 35.6 | Very low | 29.4 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | trans | -76.7 | 165.5 | -167.4 | -37 | 0 | 0 | 0 | 0 | 116.9 | | |
| 123 | P | 31.6 | Very low | 29.3 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | | | trans | -128.3 | 130.9 | 153.1 | 28 | -9 | 0 | 0 | 0 | 114.8 | | |
| 124 | S | 28.6 | Very low | 29.1 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | trans | 62.3 | 140.7 | 132.7 | -0.6 | 0 | 0 | 0 | 0 | 124.8 | | |
| 125 | E | 26.4 | Very low | 29.2 | Very low | 189 Ų | 189 | 144 Ų | 144 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | | | trans | -63.1 | 144.7 | 172.9 | -60.4 | 158.4 | 146.5 | 0 | 0 | 114.5 | | |
| 126 | S | 31.3 | Very low | 29.4 | Very low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | -153.9 | 116.9 | 142.2 | 52.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 127 | H | 25.8 | Very low | 30.1 | Very low | 190 Ų | 190 | 141.4 Ų | 141.4 | 88% | 0.88 | 78% | 0.775 | S | S | * | * | | | trans | -91.2 | 86.8 | 163.2 | -85.2 | -72.4 | 0 | 0 | 0 | 108.5 | | |
| 128 | Y | 29.3 | Very low | 30.6 | Very low | 216 Ų | 216 | 143.8 Ų | 143.8 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -161.4 | 136 | 153.1 | -101.8 | -81.1 | 0 | 0 | 0 | 105.6 | P130 | Y128-P130 WeakPolarHBondContact O-CD 3.37Š|
| 129 | S | 28.2 | Very low | 30.9 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | | | trans | -61.1 | 131.8 | 168.2 | -84.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 130 | P | 30.6 | Very low | 31.3 | Very low | 92 Ų | 92 | 142 Ų | 142 | 60% | 0.597 | 77% | 0.771 | S | S | * | * | | | trans | -124.2 | 121 | 156.6 | 26.7 | -4.9 | 0 | 0 | 0 | 110.4 | Y128 F132 | Y128-P130 WeakPolarHBondContact O-CD 3.37Å; P130-F132 HydrophobicContact CB-CD2 4.02Å; P130-F132 HydrophobicContact CB-CE2 4.15Å; P130-F132 HydrophobicContact CG-CD2 4.47Å; P130-F132 PolarHBondContact O-N 3.23Å |
| 131 | H | 26.2 | Very low | 31.6 | Very low | 171 Ų | 171 | 142.4 Ų | 142.4 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | | | trans | -59.4 | 97.4 | 164 | -166.9 | -63.1 | 0 | 0 | 0 | 109.1 | | |
| 132 | F | 33.5 | Very low | 31.8 | Very low | 189 Ų | 189 | 141.7 Ų | 141.7 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | | | trans | -105.4 | 98.4 | 169.2 | -95.7 | -83.3 | 0 | 0 | 0 | 110.3 | P130 | P130-F132 HydrophobicContact CB-CD2 4.02Å; P130-F132 HydrophobicContact CB-CE2 4.15Å; P130-F132 HydrophobicContact CG-CD2 4.47Å; P130-F132 PolarHBondContact O-N 3.23Å |
| 133 | E | 26 | Very low | 31.7 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | | | trans | -62.6 | 155.8 | 150.8 | -72.1 | -166.3 | 146.9 | 0 | 0 | 110.6 | | |
| 134 | K | 30.8 | Very low | 32 | Very low | 170 Ų | 170 | 150.4 Ų | 150.4 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 83.5 | 97.5 | 164.4 | -66.2 | 174.2 | -172.3 | 177.4 | 0 | 116.3 | | |
| 135 | N | 29.1 | Very low | 32.2 | Very low | 141 Ų | 141 | 147.5 Ų | 147.5 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | | | trans | 70.5 | 83.5 | 130.6 | -55.6 | -34.1 | 0 | 0 | 0 | 115.2 | | |
| 136 | L | 31.6 | Very low | 32.8 | Very low | 133 Ų | 133 | 147.5 Ų | 147.5 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | | | trans | -169.3 | 90.6 | 135 | -115.4 | 88.3 | 0 | 0 | 0 | 104.6 | | |
| 137 | T | 43.7 | Very low | 32.9 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | | | | 9.5 | 101.2 | 94.5 | 55.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 138 | Q | 36.9 | Very low | 33.3 | Very low | 167 Ų | 167 | 144 Ų | 144 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | | | trans | 100.4 | 57 | -179.5 | -53.9 | 173.5 | 11.7 | 0 | 0 | 116.7 | | |
| 139 | V | 35.3 | Very low | 33.6 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 74% | 0.739 | 75% | 0.749 | S | S | * | * | | | trans | -92.8 | 90.3 | 145.2 | 179.1 | 0 | 0 | 0 | 0 | 107.7 | T141 | V139-T141 VanDerWaalsContact C-N 3.29Å; V139-T141 HydrophobicContact CG1-CG2 3.93Å; V139-T141 PolarHBondContact O-N 2.94Å; V139-T141 VanDerWaalsContact O-N 3.16Å |
| 140 | T | 31.9 | Very low | 33.7 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | | | trans | -80.5 | 78.6 | 167.5 | -42.5 | 0 | 0 | 0 | 0 | 108 | T142 | T140-T142 HydrophobicContact CG2-CG2 4.22Å; T140-T142 PolarHBondContact O-N 3.1Å; T140-T142 VanDerWaalsContact O-N 3.14Å |
| 141 | T | 41.8 | Very low | 33.9 | Very low | 112 Ų | 112 | 142.4 Ų | 142.4 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | | | trans | -72.6 | 98.3 | 159.6 | 41 | 0 | 0 | 0 | 0 | 107.7 | V139 M143 | V139-T141 VanDerWaalsContact C-N 3.29Å; V139-T141 HydrophobicContact CG1-CG2 3.93Å; V139-T141 PolarHBondContact O-N 2.94Å; V139-T141 VanDerWaalsContact O-N 3.16Å; T141-M143 PolarHBondContact O-N 3.34Å |
| 142 | T | 34.7 | Very low | 34.6 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 77% | 0.767 | 75% | 0.75 | S | S | * | * | | | trans | -68.5 | 83.9 | 164.9 | 44.6 | 0 | 0 | 0 | 0 | 109 | T140 R144 | T140-T142 HydrophobicContact CG2-CG2 4.22Å; T140-T142 PolarHBondContact O-N 3.1Å; T140-T142 VanDerWaalsContact O-N 3.14Å; T142-R144 PolarHBondContact O-N 2.92Å |
| 143 | M | 33.5 | Very low | 34.9 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | | | trans | -51.1 | 122.2 | 144.1 | -68.2 | -129.3 | -58 | 0 | 0 | 106.6 | T141 A145 | T141-M143 PolarHBondContact O-N 3.34Å; M143-A145 VanDerWaalsContact C-N 3.28Å; M143-A145 PolarHBondContact O-N 3.01Å |
| 144 | R | 37.5 | Very low | 35.3 | Very low | 246 Ų | 246 | 132.4 Ų | 132.4 | 93% | 0.928 | 74% | 0.737 | S | S | * | * | | | trans | -62.2 | 99.2 | 166.9 | -168.6 | -176.5 | -146.2 | 148.3 | 4.4 | 106.4 | T142 L146 | T142-R144 PolarHBondContact O-N 2.92Å; R144-L146 PolarHBondContact O-N 3.48Å |
| 145 | A | 33.3 | Very low | 36.2 | Very low | 58 Ų | 58 | 129.6 Ų | 129.6 | 48% | 0.479 | 74% | 0.736 | S | S | . | * | | | trans | -62.7 | 127 | -173.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | M143 S147 | M143-A145 VanDerWaalsContact C-N 3.28Å; M143-A145 PolarHBondContact O-N 3.01Å; A145-S147 WeakPolarHBondContact CB-OG 3.32Å; A145-S147 PolarHBondContact O-N 2.81Å |
| 146 | L | 37.7 | Very low | 36.5 | Very low | 189 Ų | 189 | 130.6 Ų | 130.6 | 99% | 0.99 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -70.1 | 30.1 | 161.3 | -69 | 170.1 | 0 | 0 | 0 | 111.4 | R144 | R144-L146 PolarHBondContact O-N 3.48Š|
| 147 | S | 33 | Very low | 36.6 | Very low | 86 Ų | 86 | 126.6 Ų | 126.6 | 60% | 0.601 | 73% | 0.728 | S | S | * | * | | | trans | -128.4 | 45.9 | 177.2 | 64.9 | 0 | 0 | 0 | 0 | 111.6 | A145 S149 | A145-S147 WeakPolarHBondContact CB-OG 3.32Å; A145-S147 PolarHBondContact O-N 2.81Å; S147-S149 PolarHBondContact O-N 3.35Å |
| 148 | T | 34.6 | Very low | 36.1 | Very low | 138 Ų | 138 | 127.9 Ų | 127.9 | 85% | 0.847 | 73% | 0.729 | S | S | * | * | | | trans | -67.5 | 71.4 | 140.4 | 56.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 149 | S | 35.2 | Very low | 36 | Very low | 98 Ų | 98 | 126.5 Ų | 126.5 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -52 | 129.1 | 152 | -173 | 0 | 0 | 0 | 0 | 105.8 | S147 R151 | S147-S149 PolarHBondContact O-N 3.35Å; S149-R151 PolarHBondContact O-N 3.32Å |
| 150 | P | 31.8 | Very low | 35.8 | Very low | 86 Ų | 86 | 125.3 Ų | 125.3 | 56% | 0.558 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 121.3 | -176.3 | -19.3 | 29.3 | 0 | 0 | 0 | 108.9 | V152 A157 | P150-V152 PolarHBondContact O-N 3.24Å; P150-A157 HydrophobicContact CB-CB 4.37Å |
| 151 | R | 33.2 | Very low | 35.8 | Very low | 220 Ų | 220 | 125 Ų | 125 | 83% | 0.83 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 125.5 | 162.9 | -105.4 | -180 | 171.1 | 171.9 | -3.2 | 107 | S149 G153 S154 | S149-R151 PolarHBondContact O-N 3.32Å; R151-G153 PolarHBondContact O-N 3.49Å; R151-S154 PolarHBondContact O-N 3.17Å |
| 152 | V | 42.6 | Very low | 35.4 | Very low | 153 Ų | 153 | 130 Ų | 130 | 93% | 0.927 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.1 | 113.8 | 160.9 | 178.1 | 0 | 0 | 0 | 0 | 106.3 | P150 | P150-V152 PolarHBondContact O-N 3.24Š|
| 153 | G | 38.9 | Very low | 35.2 | Very low | 78 Ų | 78 | 131 Ų | 131 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 116.4 | -4.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | R151 | R151-G153 PolarHBondContact O-N 3.49Š|
| 154 | S | 33.7 | Very low | 35.2 | Very low | 52 Ų | 52 | 132.7 Ų | 132.7 | 36% | 0.364 | 73% | 0.731 | S | S | . | * | | | trans | -81.7 | 129.2 | 163.9 | 84.3 | 0 | 0 | 0 | 0 | 110 | R151 N156 A157 | R151-S154 PolarHBondContact O-N 3.17Å; S154-N156 PolarHBondContact O-N 3.07Å; S154-A157 PolarHBondContact O-N 2.91Å |
| 155 | P | 50.4 | Low | 35 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 9.3 | -165.7 | 27.5 | -33.3 | 0 | 0 | 0 | 115.9 | | |
| 156 | N | 34.6 | Very low | 35.2 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 5 | 171.6 | -74.2 | -14.6 | 0 | 0 | 0 | 113.7 | S154 L158 | S154-N156 PolarHBondContact O-N 3.07Å; N156-L158 VanDerWaalsContact C-N 3.32Å |
| 157 | A | 33.9 | Very low | 34.9 | Very low | 50 Ų | 50 | 130.3 Ų | 130.3 | 41% | 0.413 | 73% | 0.733 | S | S | . | * | | | trans | -96.5 | 37.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | P150 S154 I159 | P150-A157 HydrophobicContact CB-CB 4.37Å; S154-A157 PolarHBondContact O-N 2.91Å; A157-I159 PolarHBondContact O-N 2.99Å; A157-I159 VanDerWaalsContact O-N 3.14Å |
| 158 | L | 32.8 | Very low | 35 | Very low | 154 Ų | 154 | 132 Ų | 132 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | | | trans | -83.7 | 78.5 | 165.1 | -74 | 167.6 | 0 | 0 | 0 | 108.1 | N156 P160 | N156-L158 VanDerWaalsContact C-N 3.32Å; L158-P160 WeakPolarHBondContact O-CD 3.5Å |
| 159 | I | 36.1 | Very low | 34.9 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 118.4 | 159.6 | -62.6 | 168.2 | 0 | 0 | 0 | 105.6 | A157 | A157-I159 PolarHBondContact O-N 2.99Å; A157-I159 VanDerWaalsContact O-N 3.14Å |
| 160 | P | 31 | Very low | 34.9 | Very low | 96 Ų | 96 | 131.1 Ų | 131.1 | 62% | 0.623 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 136.6 | 175.9 | -17.7 | 29.4 | 0 | 0 | 0 | 108.6 | L158 Y162 | L158-P160 WeakPolarHBondContact O-CD 3.5Å; P160-Y162 PolarHBondContact O-N 3.15Å |
| 161 | P | 31.1 | Very low | 34.9 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 71% | 0.708 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 117.1 | 171.2 | 24.9 | -30.8 | 0 | 0 | 0 | 107.4 | N163 | P161-N163 PolarHBondContact O-N 3.43Š|
| 162 | Y | 34.2 | Very low | 34.8 | Very low | 215 Ų | 215 | 128.7 Ų | 128.7 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | | | trans | -63.4 | 84.3 | 166.9 | -82.1 | -89.2 | 0 | 0 | 0 | 107.7 | P160 K164 | P160-Y162 PolarHBondContact O-N 3.15Å; Y162-K164 PolarHBondContact O-N 3.05Å |
| 163 | N | 30.5 | Very low | 34.4 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | | | trans | -67.1 | 124.4 | 163.7 | -95.3 | -24.2 | 0 | 0 | 0 | 107.9 | P161 | P161-N163 PolarHBondContact O-N 3.43Š|
| 164 | K | 33 | Very low | 34.4 | Very low | 199 Ų | 199 | 134.5 Ų | 134.5 | 87% | 0.865 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -41.7 | 130.3 | 177.3 | -63.2 | 163.5 | 178.8 | 178.1 | 0 | 112.2 | Y162 | Y162-K164 PolarHBondContact O-N 3.05Š|
| 165 | S | 34.2 | Very low | 34.4 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | | | trans | 126 | 43.6 | 156.7 | 91.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 166 | L | 36.1 | Very low | 33.8 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | | | trans | -97.3 | 87.2 | 150.9 | -68.4 | 174.5 | 0 | 0 | 0 | 106.9 | | |
| 167 | Q | 32.5 | Very low | 33.7 | Very low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 74% | 0.738 | S | S | * | * | | | trans | -55 | 127.8 | 159.3 | -77.2 | -166.5 | -14.4 | 0 | 0 | 107.2 | L169 | Q167-L169 PolarHBondContact O-N 2.94Š|
| 168 | P | 34.4 | Very low | 33.9 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | | | trans | -70.6 | 96.1 | -179.3 | 27 | -31 | 0 | 0 | 0 | 108.9 | A170 | P168-A170 PolarHBondContact O-N 3.47Š|
| 169 | L | 33.1 | Very low | 34 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 71% | 0.707 | 74% | 0.743 | S | S | * | * | | | trans | -79.2 | 49.5 | 165.3 | -73.7 | 160.6 | 0 | 0 | 0 | 109.9 | Q167 F171 | Q167-L169 PolarHBondContact O-N 2.94Å; L169-F171 VanDerWaalsContact C-N 3.31Å; L169-F171 HydrophobicContact CD2-CD2 4.23Å; L169-F171 HydrophobicContact CD2-CE2 3.49Å; L169-F171 VanDerWaalsContact CD2-CE2 3.49Å; L169-F171 HydrophobicContact CD2-CZ 3.88Å; L169-F171 PolarHBondContact O-N 2.96Å |
| 170 | A | 34.4 | Very low | 33.9 | Very low | 83 Ų | 83 | 140.7 Ų | 140.7 | 69% | 0.686 | 75% | 0.745 | S | S | * | * | | | trans | -83.4 | 88.3 | 154.6 | 0 | 0 | 0 | 0 | 0 | 105.4 | P168 S172 | P168-A170 PolarHBondContact O-N 3.47Å; A170-S172 PolarHBondContact O-N 2.73Å |
| 171 | F | 32.8 | Very low | 33.9 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 69% | 0.689 | 75% | 0.752 | S | S | * | * | | | trans | -62.7 | 90.3 | 164.3 | -78.3 | -80.1 | 0 | 0 | 0 | 107.7 | L169 Y173 | L169-F171 VanDerWaalsContact C-N 3.31Å; L169-F171 HydrophobicContact CD2-CD2 4.23Å; L169-F171 HydrophobicContact CD2-CE2 3.49Å; L169-F171 VanDerWaalsContact CD2-CE2 3.49Å; L169-F171 HydrophobicContact CD2-CZ 3.88Å; L169-F171 PolarHBondContact O-N 2.96Å; F171-Y173 HydrophobicContact CB-CD2 4.4Å; F171-Y173 HydrophobicContact CB-CE2 4.24Å; F171-Y173 PolarHBondContact O-N 2.04Å; F171-Y173 VanDerWaalsContact O-N 3.15Å |
| 172 | S | 30.3 | Very low | 34 | Very low | 97 Ų | 97 | 145 Ų | 145 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | trans | -65.1 | 105.6 | 166.4 | 52.6 | 0 | 0 | 0 | 0 | 108 | A170 D174 | A170-S172 PolarHBondContact O-N 2.73Å; S172-D174 PolarHBondContact O-N 3.25Å |
| 173 | Y | 34.9 | Very low | 33.8 | Very low | 193 Ų | 193 | 141.1 Ų | 141.1 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | | | trans | -79.8 | 27.8 | 171.1 | -88.8 | -85.1 | 0 | 0 | 0 | 112.8 | F171 S175 | F171-Y173 HydrophobicContact CB-CD2 4.4Å; F171-Y173 HydrophobicContact CB-CE2 4.24Å; F171-Y173 PolarHBondContact O-N 2.04Å; F171-Y173 VanDerWaalsContact O-N 3.15Å; Y173-S175 VanDerWaalsContact C-N 3.31Å; Y173-S175 PolarHBondContact O-N 3.15Å |
| 174 | D | 39.5 | Very low | 33.8 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | | | trans | -95 | 26.5 | 179.5 | -103.2 | -8.6 | 0 | 0 | 0 | 113.4 | S172 | S172-D174 PolarHBondContact O-N 3.25Š|
| 175 | S | 32.4 | Very low | 33.8 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | | | trans | -135.2 | 44.4 | 174.3 | -49.2 | 0 | 0 | 0 | 0 | 111.9 | Y173 N177 | Y173-S175 VanDerWaalsContact C-N 3.31Å; Y173-S175 PolarHBondContact O-N 3.15Å; S175-N177 PolarHBondContact O-N 3.29Å |
| 176 | I | 38.7 | Very low | 33.9 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 73% | 0.728 | 74% | 0.743 | S | S | * | * | | | trans | -88.8 | 72.8 | 151 | -51.4 | 174.7 | 0 | 0 | 0 | 105.7 | P178 | I176-P178 WeakPolarHBondContact O-CD 3.27Š|
| 177 | N | 32.5 | Very low | 33.7 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | | | trans | -58.1 | 122.4 | 157.6 | -96.8 | -20.2 | 0 | 0 | 0 | 105.9 | S175 D179 | S175-N177 PolarHBondContact O-N 3.29Å; N177-D179 VanDerWaalsContact C-N 3.32Å; N177-D179 PolarHBondContact O-N 2.06Å |
| 178 | P | 38.4 | Very low | 33.8 | Very low | 80 Ų | 80 | 138.2 Ų | 138.2 | 52% | 0.519 | 74% | 0.74 | S | S | . | * | | | trans | -64 | 103.7 | 166.5 | 26.7 | -30.4 | 0 | 0 | 0 | 106 | I176 Y180 | I176-P178 WeakPolarHBondContact O-CD 3.27Å; P178-Y180 HydrophobicContact CB-CD2 4.14Å; P178-Y180 HydrophobicContact CB-CE2 3.95Å; P178-Y180 HydrophobicContact CG-CD2 3.99Å; P178-Y180 HydrophobicContact CG-CE2 3.54Å; P178-Y180 VanDerWaalsContact O-CD2 3.26Å; P178-Y180 WeakPolarHBondContact O-CD2 3.23Å; P178-Y180 PolarHBondContact O-N 3.22Å |
| 179 | D | 34 | Very low | 33.8 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | | | trans | -58.8 | 91.3 | 161.9 | -82.6 | -35 | 0 | 0 | 0 | 106.8 | N177 H181 | N177-D179 VanDerWaalsContact C-N 3.32Å; N177-D179 PolarHBondContact O-N 2.06Å; D179-H181 PolarHBondContact O-N 3.46Å |
| 180 | Y | 33.3 | Very low | 33.9 | Very low | 191 Ų | 191 | 143.2 Ų | 143.2 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | | | trans | -67.1 | 85.7 | 165.7 | -78.2 | -84 | 0 | 0 | 0 | 106.8 | P178 I182 | P178-Y180 HydrophobicContact CB-CD2 4.14Å; P178-Y180 HydrophobicContact CB-CE2 3.95Å; P178-Y180 HydrophobicContact CG-CD2 3.99Å; P178-Y180 HydrophobicContact CG-CE2 3.54Å; P178-Y180 VanDerWaalsContact O-CD2 3.26Å; P178-Y180 WeakPolarHBondContact O-CD2 3.23Å; P178-Y180 PolarHBondContact O-N 3.22Å; Y180-I182 PolarHBondContact O-N 3.22Å |
| 181 | H | 31.6 | Very low | 34.1 | Very low | 167 Ų | 167 | 143.5 Ų | 143.5 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | | | trans | -67.3 | 86.4 | 153.7 | -103.4 | -78.3 | 0 | 0 | 0 | 107.1 | D179 N183 | D179-H181 PolarHBondContact O-N 3.46Å; H181-N183 PolarHBondContact O-N 2.91Å |
| 182 | I | 32.9 | Very low | 34.1 | Very low | 127 Ų | 127 | 147.6 Ų | 147.6 | 65% | 0.651 | 76% | 0.759 | S | S | * | * | | | trans | -68.5 | 90.1 | 161.8 | -56.9 | 171.7 | 0 | 0 | 0 | 104.9 | Y180 K184 | Y180-I182 PolarHBondContact O-N 3.22Å; I182-K184 HydrophobicContact CG2-CG 3.93Å; I182-K184 PolarHBondContact O-N 3.43Å |
| 183 | N | 29.6 | Very low | 34.4 | Very low | 134 Ų | 134 | 150 Ų | 150 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | | | trans | -62.3 | 97.6 | 160 | -82.9 | -13.2 | 0 | 0 | 0 | 106.2 | H181 D185 | H181-N183 PolarHBondContact O-N 2.91Å; N183-D185 PolarHBondContact O-N 2.88Å |
| 184 | K | 31.7 | Very low | 34.5 | Very low | 184 Ų | 184 | 147.8 Ų | 147.8 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | | | trans | -72.6 | 59.8 | 170 | -79.1 | -174.3 | 175.5 | 176.2 | 0 | 109.3 | I182 | I182-K184 HydrophobicContact CG2-CG 3.93Å; I182-K184 PolarHBondContact O-N 3.43Å |
| 185 | D | 32.4 | Very low | 34.3 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | | | trans | -149.7 | 74 | 169.6 | -79.8 | -43.3 | 0 | 0 | 0 | 107.7 | N183 | N183-D185 PolarHBondContact O-N 2.88Š|
| 186 | T | 36.1 | Very low | 34.4 | Very low | 139 Ų | 139 | 150.6 Ų | 150.6 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | | | trans | 176.8 | 108.8 | 139.7 | 24.9 | 0 | 0 | 0 | 0 | 109.1 | D188 | T186-D188 PolarHBondContact O-N 3.32Š|
| 187 | S | 31.6 | Very low | 34.1 | Very low | 106 Ų | 106 | 149.3 Ų | 149.3 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | trans | -47.8 | 118.8 | 153.4 | 144.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 188 | D | 35.2 | Very low | 34.1 | Very low | 155 Ų | 155 | 149.9 Ų | 149.9 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | | | trans | -159.4 | 123.4 | 136.8 | -94.4 | -26.8 | 0 | 0 | 0 | 111.4 | T186 | T186-D188 PolarHBondContact O-N 3.32Š|
| 189 | K | 34.7 | Very low | 33.7 | Very low | 194 Ų | 194 | 153.1 Ų | 153.1 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | trans | -72 | 139.9 | 177 | -64.8 | 176.8 | 176.8 | 176.1 | 0 | 108.7 | | |
| 190 | N | 35 | Very low | 33.7 | Very low | 167 Ų | 167 | 156.4 Ų | 156.4 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | | | trans | 85.4 | 68.6 | 167.4 | -55.3 | -12.6 | 0 | 0 | 0 | 118.1 | | |
| 191 | S | 37.8 | Very low | 33.8 | Very low | 90 Ų | 90 | 153.8 Ų | 153.8 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | | | trans | -131 | 106.6 | 146.3 | 59.3 | 0 | 0 | 0 | 0 | 110.6 | E193 | S191-E193 VanDerWaalsContact C-N 3.25Å; S191-E193 PolarHBondContact O-N 3.5Å |
| 192 | R | 34.2 | Very low | 33.8 | Very low | 242 Ų | 242 | 153.7 Ų | 153.7 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | | | trans | -70.5 | 85.2 | 167.1 | -171.7 | 179.8 | -174.9 | 178.6 | 2.9 | 106.7 | I194 | R192-I194 PolarHBondContact O-N 2.87Å; R192-I194 VanDerWaalsContact O-N 3.1Å |
| 193 | E | 36.8 | Very low | 33.9 | Very low | 149 Ų | 149 | 153.7 Ų | 153.7 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | | | trans | -67 | 110.8 | -176.3 | -72.2 | -169.3 | 164.9 | 0 | 0 | 111.1 | S191 Y195 | S191-E193 VanDerWaalsContact C-N 3.25Å; S191-E193 PolarHBondContact O-N 3.5Å; E193-Y195 PolarHBondContact O-N 2.88Å |
| 194 | I | 35.9 | Very low | 34.2 | Very low | 146 Ų | 146 | 157.4 Ų | 157.4 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | | | trans | -69.8 | 107.5 | 170.6 | -63.2 | 164.6 | 0 | 0 | 0 | 106.4 | R192 T196 | R192-I194 PolarHBondContact O-N 2.87Å; R192-I194 VanDerWaalsContact O-N 3.1Å; I194-T196 VanDerWaalsContact C-N 3.35Å; I194-T196 HydrophobicContact CG2-CG2 4.27Å; I194-T196 PolarHBondContact O-N 3.48Å |
| 195 | Y | 35.5 | Very low | 34.2 | Very low | 214 Ų | 214 | 151.8 Ų | 151.8 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | | | trans | -61 | 90.8 | 171.8 | -61.9 | -84.3 | 0 | 0 | 0 | 110.7 | E193 | E193-Y195 PolarHBondContact O-N 2.88Š|
| 196 | T | 34 | Very low | 34.4 | Very low | 106 Ų | 106 | 153 Ų | 153 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | | | trans | -92.7 | 97 | 160.9 | 50.5 | 0 | 0 | 0 | 0 | 108.8 | I194 N198 | I194-T196 VanDerWaalsContact C-N 3.35Å; I194-T196 HydrophobicContact CG2-CG2 4.27Å; I194-T196 PolarHBondContact O-N 3.48Å; T196-N198 VanDerWaalsContact C-N 3.32Å; T196-N198 PolarHBondContact O-N 2.87Å |
| 197 | T | 33.4 | Very low | 34.3 | Very low | 116 Ų | 116 | 154.8 Ų | 154.8 | 71% | 0.712 | 79% | 0.794 | S | S | * | * | | | trans | -67.5 | 85.3 | 170.1 | 52.9 | 0 | 0 | 0 | 0 | 109.9 | N199 | T197-N199 PolarHBondContact O-N 3.21Š|
| 198 | N | 31.7 | Very low | 34.1 | Very low | 146 Ų | 146 | 157.1 Ų | 157.1 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | | | trans | -85.8 | 88.7 | 163 | -80.9 | -32.2 | 0 | 0 | 0 | 108.3 | T196 R200 | T196-N198 VanDerWaalsContact C-N 3.32Å; T196-N198 PolarHBondContact O-N 2.87Å; N198-R200 PolarHBondContact O-N 3.04Å |
| 199 | N | 30.7 | Very low | 34 | Very low | 148 Ų | 148 | 155 Ų | 155 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | -64 | 94.1 | 169.5 | -75.2 | -10.5 | 0 | 0 | 0 | 109.6 | T197 | T197-N199 PolarHBondContact O-N 3.21Š|
| 200 | R | 32.9 | Very low | 33.6 | Very low | 219 Ų | 219 | 155.9 Ų | 155.9 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | trans | -133.7 | 69.5 | 161 | -156.8 | 178.3 | -169.2 | -174.1 | 4.1 | 108.4 | N198 K202 | N198-R200 PolarHBondContact O-N 3.04Å; R200-K202 PolarHBondContact O-N 3.03Å; R200-K202 VanDerWaalsContact O-N 3.12Å |
| 201 | V | 35.1 | Very low | 33.5 | Very low | 136 Ų | 136 | 153.3 Ų | 153.3 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | | | trans | -70.1 | 105.2 | 174.5 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 202 | K | 33.4 | Very low | 33.1 | Very low | 165 Ų | 165 | 157.6 Ų | 157.6 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | | | trans | -86.9 | 134.8 | 157.9 | -72.3 | -174.6 | 174.1 | -172.5 | 0 | 107.3 | R200 K204 | R200-K202 PolarHBondContact O-N 3.03Å; R200-K202 VanDerWaalsContact O-N 3.12Å; K202-K204 PolarHBondContact O-N 2.99Å |
| 203 | P | 33.6 | Very low | 32.7 | Very low | 126 Ų | 126 | 156.1 Ų | 156.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -68.6 | 119.8 | 179 | 27.5 | -31.5 | 0 | 0 | 0 | 109.4 | G205 | P203-G205 PolarHBondContact O-N 3.25Š|
| 204 | K | 36.9 | Very low | 32.4 | Very low | 212 Ų | 212 | 156.9 Ų | 156.9 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | | | trans | -78.8 | 114.1 | 168.9 | -84.3 | -175.7 | 173.8 | -179.5 | 0 | 107.8 | K202 | K202-K204 PolarHBondContact O-N 2.99Š|
| 205 | G | 31.6 | Very low | 32 | Very low | 66 Ų | 66 | 159.3 Ų | 159.3 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | | | trans | -64.8 | 140.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | P203 | P203-G205 PolarHBondContact O-N 3.25Š|
| 206 | L | 35.7 | Very low | 31.4 | Very low | 172 Ų | 172 | 154.4 Ų | 154.4 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | | | trans | 26.1 | 99.8 | 141.6 | -70.6 | 155.2 | 0 | 0 | 0 | 116.1 | N208 | L206-N208 PolarHBondContact O-N 3.46Å; L206-N208 VanDerWaalsContact O-N 3.15Å |
| 207 | L | 34.1 | Very low | 31.2 | Very low | 175 Ų | 175 | 155 Ų | 155 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | | | trans | -63.8 | 106.6 | 157.6 | -75.3 | 161.3 | 0 | 0 | 0 | 108.2 | | |
| 208 | N | 29 | Very low | 30.6 | Very low | 155 Ų | 155 | 158 Ų | 158 | 83% | 0.829 | 82% | 0.824 | S | S | * | * | | | trans | -66.8 | 124.3 | 169.8 | -135.6 | -0.9 | 0 | 0 | 0 | 108.3 | L206 | L206-N208 PolarHBondContact O-N 3.46Å; L206-N208 VanDerWaalsContact O-N 3.15Å |
| 209 | P | 32.2 | Very low | 30.7 | Very low | 110 Ų | 110 | 157.8 Ų | 157.8 | 71% | 0.714 | 83% | 0.827 | S | S | * | * | | | trans | -68.7 | 137.6 | 175.4 | 27.9 | -31.1 | 0 | 0 | 0 | 109.6 | S211 | P209-S211 PolarHBondContact O-N 2.99Å; P209-S211 VanDerWaalsContact O-N 3.11Å |
| 210 | K | 26.5 | Very low | 30.4 | Very low | 213 Ų | 213 | 157.2 Ų | 157.2 | 93% | 0.926 | 83% | 0.829 | S | S | * | * | | | trans | -54.5 | 112.9 | 173.5 | -67.2 | 171.2 | 176.2 | 175.5 | 0 | 109.1 | | |
| 211 | S | 33 | Very low | 30.2 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | | | trans | -108.3 | 119.6 | 161.5 | 63.6 | 0 | 0 | 0 | 0 | 108.6 | P209 | P209-S211 PolarHBondContact O-N 2.99Å; P209-S211 VanDerWaalsContact O-N 3.11Å |
| 212 | E | 28.6 | Very low | 29.8 | Very low | 180 Ų | 180 | 153 Ų | 153 | 84% | 0.841 | 83% | 0.827 | S | S | * | * | | | trans | -63.4 | 152.5 | -178.8 | -68.3 | 169.3 | 157.5 | 0 | 0 | 112.5 | I214 | E212-I214 PolarHBondContact O-N 3.19Š|
| 213 | F | 27.3 | Very low | 29.4 | Very low | 210 Ų | 210 | 152.4 Ų | 152.4 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | | | trans | -49 | 118.2 | 178.6 | -75.5 | -102.4 | 0 | 0 | 0 | 113.6 | | |
| 214 | I | 30.5 | Very low | 29.4 | Very low | 166 Ų | 166 | 155 Ų | 155 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | | | trans | -128.2 | 116.3 | 151.5 | -57.6 | 179.4 | 0 | 0 | 0 | 107.8 | E212 | E212-I214 PolarHBondContact O-N 3.19Š|
| 215 | K | 27.4 | Very low | 28.8 | Very low | 196 Ų | 196 | 152.5 Ų | 152.5 | 85% | 0.852 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 127.1 | -179.3 | -67.5 | 169.1 | 176 | 175.9 | 0 | 110.3 | | |
| 216 | S | 23.2 | Very low | 29 | Very low | 111 Ų | 111 | 154.2 Ų | 154.2 | 78% | 0.776 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 141.2 | 162.9 | 66.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 217 | P | 28.9 | Very low | 28.9 | Very low | 120 Ų | 120 | 154 Ų | 154 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -85 | 136.3 | 157.4 | 28.7 | -20.6 | 0 | 0 | 0 | 109.8 | | |
| 218 | Q | 21.7 | Very low | 28.6 | Very low | 178 Ų | 178 | 152 Ų | 152 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 134.5 | 166.9 | -64.7 | 178.1 | -23.4 | 0 | 0 | 110.7 | | |
| 219 | V | 33 | Very low | 28.8 | Very low | 141 Ų | 141 | 150.3 Ų | 150.3 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | | | trans | -143.9 | 110.3 | 141 | -170.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 220 | T | 24.5 | Very low | 28.6 | Very low | 137 Ų | 137 | 150.1 Ų | 150.1 | 84% | 0.84 | 83% | 0.826 | S | S | * | * | | | trans | -76.8 | 118.9 | 166.8 | -18.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 221 | G | 27.8 | Very low | 28.7 | Very low | 73 Ų | 73 | 145.3 Ų | 145.3 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | | | trans | -158.8 | 120.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 222 | K | 27.1 | Very low | 28.7 | Very low | 194 Ų | 194 | 148.7 Ų | 148.7 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | | | trans | -87.3 | 154.3 | -175.5 | -59.4 | 166.4 | -179.6 | 176.4 | 0 | 110.4 | | |
| 223 | N | 25.9 | Very low | 28.5 | Very low | 151 Ų | 151 | 145.6 Ų | 145.6 | 81% | 0.807 | 81% | 0.814 | S | S | * | * | | | trans | 71.7 | 105.9 | 157.1 | -58.4 | -14.6 | 0 | 0 | 0 | 119.1 | | |
| 224 | L | 33.2 | Very low | 28.6 | Very low | 180 Ų | 180 | 141.7 Ų | 141.7 | 94% | 0.942 | 81% | 0.813 | S | S | * | * | | | trans | -141.6 | 112.9 | 146 | -74.3 | 173.6 | 0 | 0 | 0 | 110.5 | | |
| 225 | I | 24.8 | Very low | 28.5 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | | | trans | -122.1 | 150.3 | 153.4 | -64.3 | 171.4 | 0 | 0 | 0 | 102.8 | | |
| 226 | P | 34.7 | Very low | 28.4 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 66% | 0.662 | 80% | 0.804 | S | S | * | * | | | cis | -129.7 | -175.8 | 8.3 | 21.9 | 3.9 | 0 | 0 | 0 | 112.9 | | |
| 227 | I | 32.9 | Very low | 28.7 | Very low | 167 Ų | 167 | 134.5 Ų | 134.5 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | | -163.7 | 126.1 | 118.2 | -85.9 | 145.6 | 0 | 0 | 0 | 108.1 | | |
| 228 | T | 28.7 | Very low | 28.7 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | | | trans | -73.8 | 136.7 | 173.4 | 46.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 229 | S | 33.1 | Very low | 29.1 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | -117.7 | 113.9 | 156.3 | 60.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 230 | S | 27.9 | Very low | 29.2 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | trans | -35.6 | 125.7 | 165.4 | 176.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 231 | V | 28 | Very low | 29.4 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | | | | 41.7 | 108.3 | 99.6 | -174.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 232 | M | 33.6 | Very low | 29.8 | Very low | 184 Ų | 184 | 135 Ų | 135 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | | | trans | -142.6 | 119 | 135.8 | -87.2 | -73.1 | 159.6 | 0 | 0 | 107.5 | | |
| 233 | T | 25 | Very low | 30 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | | | trans | -68.1 | 138.2 | 172.8 | 6.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 234 | S | 29.6 | Very low | 30.4 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | | | trans | -137.7 | 101.2 | 156.8 | -70.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 235 | T | 27.4 | Very low | 30.5 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | trans | -87.6 | 148.1 | 178.7 | -16.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 236 | S | 24.8 | Very low | 31.1 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | 64 | 99 | 156.9 | 61.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 237 | A | 29.9 | Very low | 31.2 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | | | trans | -156.6 | 113.8 | 131.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 238 | I | 29.4 | Very low | 31.2 | Very low | 164 Ų | 164 | 131.8 Ų | 131.8 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | | | trans | 53.2 | 90.3 | 135.7 | -49.1 | 168.2 | 0 | 0 | 0 | 115.4 | | |
| 239 | A | 29.7 | Very low | 31.3 | Very low | 88 Ų | 88 | 128.4 Ų | 128.4 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | | 84.3 | 151.3 | 78.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 240 | P | 35.9 | Very low | 31.6 | Very low | 102 Ų | 102 | 131 Ų | 131 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | | | | -136.3 | 169.2 | -86.2 | 30.1 | -8.2 | 0 | 0 | 0 | 114.3 | | |
| 241 | N | 27.7 | Very low | 32.1 | Very low | 162 Ų | 162 | 132 Ų | 132 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | | | trans | 30.9 | 97.5 | 146.9 | -59.3 | -18.2 | 0 | 0 | 0 | 118.6 | | |
| 242 | T | 35.8 | Very low | 32.4 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | | | trans | -150.2 | 127.5 | 156.6 | 21.8 | 0 | 0 | 0 | 0 | 105.1 | | |
| 243 | G | 31 | Very low | 32.5 | Very low | 59 Ų | 59 | 135.8 Ų | 135.8 | 61% | 0.608 | 80% | 0.804 | S | S | * | * | | | cis | 169.6 | 89.2 | 6.5 | 0 | 0 | 0 | 0 | 0 | 104.4 | D245 | G243-D245 PolarHBondContact O-N 3.4Š|
| 244 | D | 34.4 | Very low | 32.9 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -84.7 | 33.7 | -179.3 | -77.2 | -22.5 | 0 | 0 | 0 | 112.5 | | |
| 245 | D | 36.5 | Very low | 33.5 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | | | trans | -127.9 | 35 | -177.2 | -87.9 | -28.5 | 0 | 0 | 0 | 114 | G243 | G243-D245 PolarHBondContact O-N 3.4Š|
| 246 | I | 36.5 | Very low | 34.1 | Very low | 152 Ų | 152 | 140 Ų | 140 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | | | trans | -128.3 | 58.4 | 167.3 | -43.1 | 178.5 | 0 | 0 | 0 | 110.6 | | |
| 247 | L | 36.4 | Very low | 34.5 | Very low | 176 Ų | 176 | 143 Ų | 143 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | | | trans | -98.1 | 20 | 161.7 | -95.4 | 165.7 | 0 | 0 | 0 | 112.5 | | |
| 248 | L | 34.4 | Very low | 34.7 | Very low | 168 Ų | 168 | 142.8 Ų | 142.8 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | | | trans | -114.4 | 96.7 | 164.6 | -85.5 | 97.8 | 0 | 0 | 0 | 110 | | |
| 249 | G | 30.9 | Very low | 35.3 | Very low | 62 Ų | 62 | 144 Ų | 144 | 64% | 0.639 | 81% | 0.809 | S | S | * | * | | | trans | 170.7 | 58.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 250 | L | 38.2 | Very low | 35.7 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | | | trans | -150.4 | 79.1 | 150 | -104.4 | 143 | 0 | 0 | 0 | 109.5 | | |
| 251 | V | 38.8 | Very low | 36.1 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 76% | 0.764 | 82% | 0.818 | S | S | * | * | | | trans | -46.2 | 136.4 | 161.3 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | Q253 | V251-Q253 PolarHBondContact O-N 3.05Š|
| 252 | H | 33.8 | Very low | 36.5 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | | | trans | -32 | 118.3 | 171.1 | -59.2 | 137.2 | 0 | 0 | 0 | 114.9 | | |
| 253 | Q | 37.2 | Very low | 36.6 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | | | trans | -102.7 | 112.2 | 154 | -79.2 | -169.2 | -14.4 | 0 | 0 | 109.6 | V251 S255 | V251-Q253 PolarHBondContact O-N 3.05Å; Q253-S255 PolarHBondContact O-N 3.11Å |
| 254 | K | 32.8 | Very low | 36.9 | Very low | 195 Ų | 195 | 147.8 Ų | 147.8 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | | | trans | -75.1 | 110.5 | -177.2 | -152.7 | 169 | 179.9 | -178.6 | 0 | 107.1 | T256 | K254-T256 PolarHBondContact O-N 3.04Å; K254-T256 VanDerWaalsContact O-N 3.08Å |
| 255 | S | 41.9 | Very low | 37.1 | Very low | 124 Ų | 124 | 147.7 Ų | 147.7 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | | | trans | -67.2 | 108.4 | 171 | -58.4 | 0 | 0 | 0 | 0 | 108.5 | Q253 | Q253-S255 PolarHBondContact O-N 3.11Š|
| 256 | T | 40.4 | Very low | 37.3 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | trans | -72 | 140.1 | 173 | 46.3 | 0 | 0 | 0 | 0 | 110.8 | K254 | K254-T256 PolarHBondContact O-N 3.04Å; K254-T256 VanDerWaalsContact O-N 3.08Å |
| 257 | E | 33.8 | Very low | 37.1 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | trans | -59.4 | 149.1 | 176.2 | 175.2 | -177.2 | 161.7 | 0 | 0 | 114.9 | | |
| 258 | S | 33.9 | Very low | 37.2 | Very low | 82 Ų | 82 | 141 Ų | 141 | 57% | 0.573 | 80% | 0.798 | S | S | * | * | | | trans | 57.9 | 134.4 | 153 | 72 | 0 | 0 | 0 | 0 | 122.1 | | |
| 259 | H | 42.2 | Very low | 37.4 | Very low | 189 Ų | 189 | 139.1 Ų | 139.1 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | | | trans | -143.6 | 119.3 | 130.1 | -79.8 | -57.4 | 0 | 0 | 0 | 109.6 | S261 | H259-S261 PolarHBondContact O-N 2.98Š|
| 260 | D | 37.2 | Very low | 37.7 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | | | trans | -43.6 | 114.7 | 168 | -78.3 | -63.5 | 0 | 0 | 0 | 112.1 | | |
| 261 | S | 45.3 | Very low | 37.6 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -97.4 | 90.2 | 157.6 | -64.5 | 0 | 0 | 0 | 0 | 107.4 | H259 I263 | H259-S261 PolarHBondContact O-N 2.98Å; S261-I263 PolarHBondContact O-N 3.43Å |
| 262 | S | 34.5 | Very low | 37.3 | Very low | 106 Ų | 106 | 136 Ų | 136 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | | | trans | -62.5 | 93.2 | 169.2 | 28.7 | 0 | 0 | 0 | 0 | 109.7 | S264 | S262-S264 PolarHBondContact O-N 2.92Å; S262-S264 VanDerWaalsContact O-N 3.11Å |
| 263 | I | 38.2 | Very low | 37.1 | Very low | 156 Ų | 156 | 130.7 Ų | 130.7 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | | | trans | -73.3 | 102.7 | 168.9 | -56.6 | 170 | 0 | 0 | 0 | 106.6 | S261 M265 | S261-I263 PolarHBondContact O-N 3.43Å; I263-M265 PolarHBondContact O-N 3.48Å |
| 264 | S | 37.7 | Very low | 36.7 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | trans | -63.4 | 113.9 | 173.1 | -66.3 | 0 | 0 | 0 | 0 | 109.1 | S262 | S262-S264 PolarHBondContact O-N 2.92Å; S262-S264 VanDerWaalsContact O-N 3.11Å |
| 265 | M | 39.1 | Very low | 36.8 | Very low | 167 Ų | 167 | 122.5 Ų | 122.5 | 82% | 0.823 | 78% | 0.775 | S | S | * | * | | | trans | -69.2 | 134 | 173.5 | -82 | -171.6 | 55.6 | 0 | 0 | 110.5 | I263 S267 | I263-M265 PolarHBondContact O-N 3.48Å; M265-S267 PolarHBondContact O-N 3.37Å |
| 266 | P | 39.3 | Very low | 36.5 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -69.2 | 129.7 | 172.8 | 27.3 | -31.6 | 0 | 0 | 0 | 110.4 | V268 | P266-V268 PolarHBondContact O-N 2.94Š|
| 267 | S | 33.1 | Very low | 36.2 | Very low | 110 Ų | 110 | 126 Ų | 126 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -66.3 | 114.5 | 173.7 | -39 | 0 | 0 | 0 | 0 | 109.4 | M265 T269 | M265-S267 PolarHBondContact O-N 3.37Å; S267-T269 PolarHBondContact O-N 3.49Å |
| 268 | V | 39.7 | Very low | 36 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | | | trans | -74.5 | 90 | 171.3 | -177.7 | 0 | 0 | 0 | 0 | 107.7 | P266 S270 | P266-V268 PolarHBondContact O-N 2.94Å; V268-S270 VanDerWaalsContact C-N 3.26Å; V268-S270 PolarHBondContact O-N 2.95Å |
| 269 | T | 37.5 | Very low | 35.8 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -73.9 | 89.3 | 161.2 | 51.1 | 0 | 0 | 0 | 0 | 107.3 | S267 S271 | S267-T269 PolarHBondContact O-N 3.49Å; T269-S271 VanDerWaalsContact C-N 3.33Å; T269-S271 PolarHBondContact O-N 3.31Å; T269-S271 VanDerWaalsContact O-N 3.07Å |
| 270 | S | 36.6 | Very low | 35 | Very low | 105 Ų | 105 | 121.7 Ų | 121.7 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | -72 | 94 | 165.6 | 42.9 | 0 | 0 | 0 | 0 | 107.7 | V268 G272 | V268-S270 VanDerWaalsContact C-N 3.26Å; V268-S270 PolarHBondContact O-N 2.95Å; S270-G272 PolarHBondContact O-N 3.35Å |
| 271 | S | 36.4 | Very low | 34.6 | Very low | 120 Ų | 120 | 120 Ų | 120 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | | | trans | -68 | 76.4 | 161.4 | 48.3 | 0 | 0 | 0 | 0 | 108.5 | T269 G273 | T269-S271 VanDerWaalsContact C-N 3.33Å; T269-S271 PolarHBondContact O-N 3.31Å; T269-S271 VanDerWaalsContact O-N 3.07Å; S271-G273 PolarHBondContact O-N 3.01Å |
| 272 | G | 34.1 | Very low | 33.7 | Very low | 72 Ų | 72 | 126.5 Ų | 126.5 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | trans | -71.6 | 103.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | S270 | S270-G272 PolarHBondContact O-N 3.35Š|
| 273 | G | 27.9 | Very low | 33.7 | Very low | 74 Ų | 74 | 129.6 Ų | 129.6 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | | | trans | -56.9 | 133.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S271 | S271-G273 PolarHBondContact O-N 3.01Š|
| 274 | S | 29.7 | Very low | 33.2 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -84.2 | 128.5 | 168.1 | 174.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 275 | P | 34.9 | Very low | 32.9 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | | | trans | -115.4 | 81.1 | 164 | 36.3 | -21.5 | 0 | 0 | 0 | 109.2 | | |
| 276 | Y | 35.1 | Very low | 32.5 | Very low | 203 Ų | 203 | 136.6 Ų | 136.6 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | | | trans | -138.5 | 97.3 | 160.8 | -75.3 | -74.4 | 0 | 0 | 0 | 110.6 | S278 | Y276-S278 PolarHBondContact O-N 2.93Š|
| 277 | T | 34.8 | Very low | 32.2 | Very low | 129 Ų | 129 | 138.7 Ų | 138.7 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | | | trans | 18 | 100.5 | 142.9 | 55.7 | 0 | 0 | 0 | 0 | 116.5 | L279 | T277-L279 PolarHBondContact O-N 2.9Å; T277-L279 VanDerWaalsContact O-N 3.17Å |
| 278 | S | 29.9 | Very low | 32 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | | | trans | -66 | 96.3 | 153.8 | 172.4 | 0 | 0 | 0 | 0 | 109.3 | Y276 | Y276-S278 PolarHBondContact O-N 2.93Š|
| 279 | L | 28.8 | Very low | 31.8 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | | | trans | -169.4 | 116.5 | 155.8 | -111.1 | 140 | 0 | 0 | 0 | 109.7 | T277 | T277-L279 PolarHBondContact O-N 2.9Å; T277-L279 VanDerWaalsContact O-N 3.17Å |
| 280 | G | 25.7 | Very low | 31.5 | Very low | 63 Ų | 63 | 148.7 Ų | 148.7 | 65% | 0.649 | 82% | 0.817 | S | S | * | * | | | trans | 122.1 | 96.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 281 | S | 29.1 | Very low | 31.2 | Very low | 120 Ų | 120 | 150.3 Ų | 150.3 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | | | | 85.2 | 101.8 | 128.1 | -47.4 | 0 | 0 | 0 | 0 | 118.9 | L283 | S281-L283 PolarHBondContact O-N 3.27Š|
| 282 | R | 26.8 | Very low | 31.1 | Very low | 244 Ų | 244 | 154.3 Ų | 154.3 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | | | trans | -8.8 | 123.1 | 136.1 | -75.8 | 176.3 | 168.4 | -168.2 | -3.4 | 114 | | |
| 283 | L | 33.8 | Very low | 31 | Very low | 171 Ų | 171 | 158 Ų | 158 | 90% | 0.895 | 82% | 0.822 | S | S | * | * | | | trans | -159 | 121 | 130.2 | -105.9 | 162.6 | 0 | 0 | 0 | 109.9 | S281 | S281-L283 PolarHBondContact O-N 3.27Š|
| 284 | L | 28.3 | Very low | 31.2 | Very low | 162 Ų | 162 | 165.2 Ų | 165.2 | 85% | 0.848 | 83% | 0.828 | S | S | * | * | | | trans | -44.5 | 134.1 | 160.4 | -98 | 68.4 | 0 | 0 | 0 | 110.8 | | |
| 285 | R | 31.3 | Very low | 31.5 | Very low | 234 Ų | 234 | 171 Ų | 171 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | | | | -164.8 | 118.6 | 125.1 | -112.5 | 175.1 | 166.9 | -170.3 | -4.4 | 111.2 | N287 | R285-N287 PolarHBondContact O-N 3.01Š|
| 286 | Q | 30.9 | Very low | 31.6 | Very low | 185 Ų | 185 | 170.1 Ų | 170.1 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | | | trans | -51.5 | 131.3 | 158.2 | -69.9 | 172.1 | -26.5 | 0 | 0 | 109.3 | | |
| 287 | N | 32.1 | Very low | 31.9 | Very low | 156 Ų | 156 | 166.2 Ų | 166.2 | 83% | 0.834 | 83% | 0.826 | S | S | * | * | | | trans | -149.1 | 106 | 144.9 | -94.6 | -43.9 | 0 | 0 | 0 | 109 | R285 | R285-N287 PolarHBondContact O-N 3.01Š|
| 288 | K | 29.8 | Very low | 31.8 | Very low | 203 Ų | 203 | 168 Ų | 168 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | | | trans | -65.1 | 126.9 | 155.8 | -72.4 | 177.9 | 172.6 | -178.8 | 0 | 107.6 | | |
| 289 | K | 34.2 | Very low | 32.3 | Very low | 193 Ų | 193 | 167.7 Ų | 167.7 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | | | trans | -171.7 | 121.7 | 134.2 | -105.7 | 173.2 | -177.7 | -174.8 | 0 | 109.3 | D291 | K289-D291 PolarHBondContact O-N 2.9Š|
| 290 | E | 30.6 | Very low | 32.5 | Very low | 182 Ų | 182 | 165.5 Ų | 165.5 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | | | trans | -57.3 | 120.2 | 163.5 | -60.2 | 168.6 | 174.2 | 0 | 0 | 108.1 | | |
| 291 | D | 31 | Very low | 32.8 | Very low | 139 Ų | 139 | 171.7 Ų | 171.7 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | | | trans | -135.8 | 108.3 | 157.2 | -93.3 | -37.4 | 0 | 0 | 0 | 109.2 | K289 L293 | K289-D291 PolarHBondContact O-N 2.9Å; D291-L293 PolarHBondContact O-N 3.18Å |
| 292 | K | 34.8 | Very low | 33 | Very low | 203 Ų | 203 | 176 Ų | 176 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | | | trans | -62.9 | 97.1 | 166.6 | -66.6 | 164 | -179.6 | 171.1 | 0 | 107.4 | | |
| 293 | L | 32.7 | Very low | 33.2 | Very low | 151 Ų | 151 | 170.2 Ų | 170.2 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | trans | -114.4 | 99.5 | 166.2 | -71.2 | 174.9 | 0 | 0 | 0 | 109.9 | D291 R295 | D291-L293 PolarHBondContact O-N 3.18Å; L293-R295 PolarHBondContact O-N 3.49Å; L293-R295 VanDerWaalsContact O-N 3.14Å |
| 294 | Y | 31.3 | Very low | 33.1 | Very low | 224 Ų | 224 | 169.6 Ų | 169.6 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | | | trans | -22.3 | 109.1 | 144.5 | -118.3 | -102.2 | 0 | 0 | 0 | 110.9 | S296 | Y294-S296 PolarHBondContact O-N 2.99Š|
| 295 | R | 34.8 | Very low | 33.6 | Very low | 231 Ų | 231 | 168.7 Ų | 168.7 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | | | trans | -92.1 | 79.7 | 171.5 | -151.9 | 178.4 | -170.4 | -173.7 | 2.7 | 108 | L293 T297 | L293-R295 PolarHBondContact O-N 3.49Å; L293-R295 VanDerWaalsContact O-N 3.14Å; R295-T297 PolarHBondContact O-N 3.41Å |
| 296 | S | 38.7 | Very low | 33.8 | Very low | 87 Ų | 87 | 165.5 Ų | 165.5 | 61% | 0.608 | 80% | 0.803 | S | S | * | * | | | trans | -61.3 | 112.2 | 159.7 | -64 | 0 | 0 | 0 | 0 | 107.1 | Y294 E298 | Y294-S296 PolarHBondContact O-N 2.99Å; S296-E298 VanDerWaalsContact C-N 3.34Å; S296-E298 PolarHBondContact O-N 3.1Å; S296-E298 VanDerWaalsContact O-N 3.14Å |
| 297 | T | 40.5 | Very low | 34 | Very low | 120 Ų | 120 | 159.2 Ų | 159.2 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | trans | -81.5 | 89.7 | 171.6 | 24.9 | 0 | 0 | 0 | 0 | 107.6 | R295 V299 | R295-T297 PolarHBondContact O-N 3.41Å; T297-V299 PolarHBondContact O-N 3.33Å |
| 298 | E | 32.7 | Very low | 34.3 | Very low | 168 Ų | 168 | 160.2 Ų | 160.2 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | -64.3 | 116.4 | 160.6 | 50.4 | -159.9 | 148.1 | 0 | 0 | 109.1 | S296 N300 | S296-E298 VanDerWaalsContact C-N 3.34Å; S296-E298 PolarHBondContact O-N 3.1Å; S296-E298 VanDerWaalsContact O-N 3.14Å; E298-N300 PolarHBondContact O-N 3.07Å |
| 299 | V | 40.1 | Very low | 34.6 | Very low | 112 Ų | 112 | 159.9 Ų | 159.9 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | | | trans | -77.9 | 100 | 177.6 | 174.1 | 0 | 0 | 0 | 0 | 107.3 | T297 F301 | T297-V299 PolarHBondContact O-N 3.33Å; V299-F301 PolarHBondContact O-N 3.22Å |
| 300 | N | 34.1 | Very low | 34.7 | Very low | 127 Ų | 127 | 159.2 Ų | 159.2 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | | | trans | -72 | 118.4 | 167.7 | -89 | -22.8 | 0 | 0 | 0 | 109.6 | E298 Y302 | E298-N300 PolarHBondContact O-N 3.07Å; N300-Y302 HydrophobicContact CB-CD2 4.3Å; N300-Y302 PolarHBondContact O-N 2.86Å |
| 301 | F | 31.3 | Very low | 35.2 | Very low | 194 Ų | 194 | 155.1 Ų | 155.1 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | | | trans | -75.1 | 96.9 | 165 | -68.6 | -89.9 | 0 | 0 | 0 | 108.4 | V299 | V299-F301 PolarHBondContact O-N 3.22Š|
| 302 | Y | 32.8 | Very low | 35.7 | Very low | 211 Ų | 211 | 157.5 Ų | 157.5 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | | | trans | -93.4 | 116.5 | 156.4 | -88.9 | -88.2 | 0 | 0 | 0 | 108.1 | N300 | N300-Y302 HydrophobicContact CB-CD2 4.3Å; N300-Y302 PolarHBondContact O-N 2.86Å |
| 303 | T | 31 | Very low | 36.2 | Very low | 121 Ų | 121 | 155.7 Ų | 155.7 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | -57.7 | 126 | 163.6 | 36.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 304 | D | 32.8 | Very low | 36.6 | Very low | 159 Ų | 159 | 156.1 Ų | 156.1 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | | | trans | -166.2 | 142.6 | 139.1 | -92.4 | -23.2 | 0 | 0 | 0 | 109.8 | | |
| 305 | D | 37.1 | Very low | 37.5 | Very low | 143 Ų | 143 | 151.8 Ų | 151.8 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | | | trans | -56.5 | 142.8 | -154.9 | -73.9 | -57.4 | 0 | 0 | 0 | 119.1 | G307 | D305-G307 PolarHBondContact O-N 3.47Š|
| 306 | D | 37.3 | Very low | 38.4 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | | | trans | 41.1 | 47.8 | 136.2 | -70.7 | -16.8 | 0 | 0 | 0 | 119.7 | | |
| 307 | G | 33.7 | Very low | 39.3 | Very low | 53 Ų | 53 | 152.2 Ų | 152.2 | 55% | 0.546 | 77% | 0.77 | S | S | . | * | | | trans | -109.1 | 120.7 | 148.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | D305 K309 | D305-G307 PolarHBondContact O-N 3.47Å; G307-K309 PolarHBondContact O-N 3.36Å |
| 308 | I | 39.8 | Very low | 40 | Very low | 176 Ų | 176 | 153.9 Ų | 153.9 | 90% | 0.903 | 76% | 0.762 | S | S | * | * | | | trans | -61.1 | 76.9 | 172.3 | -57.5 | 165.7 | 0 | 0 | 0 | 108.1 | Q310 | I308-Q310 PolarHBondContact O-N 3.47Å; I308-Q310 VanDerWaalsContact O-N 3.16Å |
| 309 | K | 35.9 | Very low | 41 | Very low | 196 Ų | 196 | 149.4 Ų | 149.4 | 85% | 0.852 | 75% | 0.75 | S | S | * | * | | | trans | -73.9 | 108.2 | 171.4 | -75.4 | -172.5 | 178.3 | 177.7 | 0 | 104.8 | G307 S311 | G307-K309 PolarHBondContact O-N 3.36Å; K309-S311 PolarHBondContact O-N 2.8Å; K309-S311 VanDerWaalsContact O-N 3.11Å |
| 310 | Q | 36.6 | Very low | 41.9 | Very low | 180 Ų | 180 | 149 Ų | 149 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | | | trans | -41.3 | 122.7 | 173.2 | -66.6 | -177.1 | -12.5 | 0 | 0 | 107.6 | I308 E312 | I308-Q310 PolarHBondContact O-N 3.47Å; I308-Q310 VanDerWaalsContact O-N 3.16Å; Q310-E312 PolarHBondContact O-N 3.29Å |
| 311 | S | 40.7 | Very low | 42.5 | Very low | 95 Ų | 95 | 151.2 Ų | 151.2 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | | | trans | -50.4 | 109.5 | 173.4 | 55.7 | 0 | 0 | 0 | 0 | 106.1 | K309 Q313 | K309-S311 PolarHBondContact O-N 2.8Å; K309-S311 VanDerWaalsContact O-N 3.11Å; S311-Q313 PolarHBondContact O-N 3.21Å |
| 312 | E | 41.6 | Very low | 43.5 | Very low | 189 Ų | 189 | 146.7 Ų | 146.7 | 88% | 0.883 | 73% | 0.733 | S | S | * | * | | | trans | -56.6 | 97.9 | 175.2 | -146.8 | 171.1 | -163.9 | 0 | 0 | 104.2 | Q310 H314 | Q310-E312 PolarHBondContact O-N 3.29Å; E312-H314 PolarHBondContact O-N 3.18Å |
| 313 | Q | 43.8 | Very low | 44.8 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | | | trans | -68.5 | 89.4 | 177.7 | -84.2 | -177.1 | -12.8 | 0 | 0 | 103.7 | S311 I315 | S311-Q313 PolarHBondContact O-N 3.21Å; Q313-I315 PolarHBondContact O-N 3Å |
| 314 | H | 41.7 | Very low | 46.2 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | | | trans | -60 | 93.9 | 167.8 | -174.8 | -91.6 | 0 | 0 | 0 | 105.2 | E312 V316 | E312-H314 PolarHBondContact O-N 3.18Å; H314-V316 WeakPolarHBondContact ND1-CG2 3.14Å; H314-V316 PolarHBondContact O-N 2.95Å |
| 315 | I | 50.2 | Low | 47.2 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | | | trans | -65.7 | 87.2 | 172.7 | -61.4 | 169.5 | 0 | 0 | 0 | 104.4 | Q313 R317 | Q313-I315 PolarHBondContact O-N 3Å; I315-R317 PolarHBondContact O-N 2.89Å |
| 316 | V | 54.6 | Low | 47.8 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 61% | 0.612 | 70% | 0.695 | S | S | * | * | | | trans | -61.7 | 97 | 165.3 | -179.6 | 0 | 0 | 0 | 0 | 104.6 | H314 R318 | H314-V316 WeakPolarHBondContact ND1-CG2 3.14Å; H314-V316 PolarHBondContact O-N 2.95Å; V316-R318 VanDerWaalsContact C-N 3.28Å; V316-R318 PolarHBondContact O-N 2.81Å |
| 317 | R | 56.2 | Low | 48.2 | Very low | 226 Ų | 226 | 133.5 Ų | 133.5 | 85% | 0.853 | 69% | 0.688 | S | S | * | * | | | trans | -59.2 | 99 | 167.5 | -76.5 | -174.4 | 175.2 | 88.9 | -2.7 | 105.7 | I315 S319 | I315-R317 PolarHBondContact O-N 2.89Å; R317-S319 PolarHBondContact O-N 3.08Å |
| 318 | R | 55.1 | Low | 49.1 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 59% | 0.585 | 70% | 0.696 | S | S | * | * | | | trans | -58 | 127.5 | 168 | -68.5 | -174.3 | 176.2 | -145.6 | -1.1 | 106.6 | V316 E322 | V316-R318 VanDerWaalsContact C-N 3.28Å; V316-R318 PolarHBondContact O-N 2.81Å; R318-E322 WeakPolarHBondContact CD-OE2 3.44Å; R318-E322 IonicContact NH1-OE2 2.73Å |
| 319 | S | 54.5 | Low | 49.7 | Very low | 74 Ų | 74 | 136.9 Ų | 136.9 | 52% | 0.517 | 69% | 0.689 | S | S | . | * | | | trans | -60 | 142.8 | 175.1 | 61.2 | 0 | 0 | 0 | 0 | 108.5 | R317 Y321 E322 | R317-S319 PolarHBondContact O-N 3.08Å; S319-Y321 PolarHBondContact O-N 3.08Å; S319-E322 PolarHBondContact O-N 3.48Å |
| 320 | S | 57.9 | Low | 50.3 | Low | 104 Ų | 104 | 134.6 Ų | 134.6 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -50.9 | -23.6 | -179.1 | 48.4 | 0 | 0 | 0 | 0 | 113.6 | E322 M323 A324 | S320-E322 PolarHBondContact O-N 3.35Å; S320-M323 PolarHBondContact O-N 3.47Å; S320-A324 PolarHBondContact O-N 2.92Å; S320-A324 VanDerWaalsContact O-N 3.17Å |
| 321 | Y | 47.1 | Very low | 51.1 | Low | 172 Ų | 172 | 130.8 Ų | 130.8 | 68% | 0.675 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -64.6 | -34.4 | 177.7 | -159.9 | -100.9 | 0 | 0 | 0 | 114 | S319 A324 T325 | S319-Y321 PolarHBondContact O-N 3.08Å; Y321-A324 PolarHBondContact O-N 3.31Å; Y321-T325 HydrophobicContact CD1-CG2 3.96Å; Y321-T325 HydrophobicContact CE1-CG2 3.6Å; Y321-T325 HydrophobicContact CE2-CG2 4.49Å; Y321-T325 WeakPolarHBondContact O-CG2 3.48Å; Y321-T325 PolarHBondContact O-N 3.26Å; Y321-T325 PolarHBondContact O-OG1 3.33Å |
| 322 | E | 54.1 | Low | 51.7 | Low | 99 Ų | 99 | 131.1 Ų | 131.1 | 46% | 0.463 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -70.5 | -34 | 176.7 | -73.7 | -167.8 | 157 | 0 | 0 | 112.5 | R318 S319 S320 T325 | R318-E322 WeakPolarHBondContact CD-OE2 3.44Å; R318-E322 IonicContact NH1-OE2 2.73Å; S319-E322 PolarHBondContact O-N 3.48Å; S320-E322 PolarHBondContact O-N 3.35Å; E322-T325 PolarHBondContact O-OG1 2.98Å |
| 323 | M | 58.2 | Low | 52.3 | Low | 150 Ų | 150 | 129.8 Ų | 129.8 | 74% | 0.739 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -70 | -36 | 176 | -64.4 | -68.5 | -72.3 | 0 | 0 | 111.3 | S320 | S320-M323 PolarHBondContact O-N 3.47Å |
| 324 | A | 60.3 | Low | 52.7 | Low | 82 Ų | 82 | 126 Ų | 126 | 68% | 0.678 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -74.9 | -33.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S320 Y321 G326 | S320-A324 PolarHBondContact O-N 2.92Å; S320-A324 VanDerWaalsContact O-N 3.17Å; Y321-A324 PolarHBondContact O-N 3.31Å; A324-G326 PolarHBondContact O-N 3.32Å |
| 325 | T | 55.1 | Low | 53.4 | Low | 66 Ų | 66 | 125.9 Ų | 125.9 | 41% | 0.405 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.2 | 8.1 | -177 | 51.2 | 0 | 0 | 0 | 0 | 114.4 | Y321 E322 K327 | Y321-T325 HydrophobicContact CD1-CG2 3.96Å; Y321-T325 HydrophobicContact CE1-CG2 3.6Å; Y321-T325 HydrophobicContact CE2-CG2 4.49Å; Y321-T325 WeakPolarHBondContact O-CG2 3.48Å; Y321-T325 PolarHBondContact O-N 3.26Å; Y321-T325 PolarHBondContact O-OG1 3.33Å; E322-T325 PolarHBondContact O-OG1 2.98Å; T325-K327 PolarHBondContact O-N 3.24Å |
| 326 | G | 49.9 | Very low | 54 | Low | 54 Ų | 54 | 128.1 Ų | 128.1 | 56% | 0.557 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.8 | 13.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A324 I328 | A324-G326 PolarHBondContact O-N 3.32Å; G326-I328 PolarHBondContact O-N 2.81Å |
| 327 | K | 46.3 | Very low | 54.2 | Low | 172 Ų | 172 | 129 Ų | 129 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | | | trans | -76.2 | 58.4 | 167.2 | -64.1 | -171.3 | -177.3 | -179.8 | 0 | 109.2 | T325 E329 | T325-K327 PolarHBondContact O-N 3.24Å; K327-E329 PolarHBondContact O-N 2.98Å |
| 328 | I | 52.6 | Low | 54.5 | Low | 140 Ų | 140 | 124.2 Ų | 124.2 | 72% | 0.718 | 64% | 0.638 | S | S | * | * | | | trans | -67.2 | 94.6 | 160.5 | -59.6 | 172 | 0 | 0 | 0 | 103.8 | G326 L330 | G326-I328 PolarHBondContact O-N 2.81Å; I328-L330 PolarHBondContact O-N 2.9Å |
| 329 | E | 51.1 | Low | 55.4 | Low | 160 Ų | 160 | 124 Ų | 124 | 75% | 0.748 | 64% | 0.641 | S | S | * | * | | | trans | -49.1 | 111.9 | 163.7 | -68.9 | -179.5 | 168 | 0 | 0 | 106 | K327 P331 | K327-E329 PolarHBondContact O-N 2.98Å; E329-P331 VanDerWaalsContact O-N 3.08Å |
| 330 | L | 49 | Very low | 56.4 | Low | 148 Ų | 148 | 127 Ų | 127 | 78% | 0.775 | 65% | 0.645 | S | S | * | * | | | trans | -50.6 | 126.3 | 174.7 | -92.9 | 90.9 | 0 | 0 | 0 | 105.8 | I328 V332 | I328-L330 PolarHBondContact O-N 2.9Å; L330-V332 VanDerWaalsContact C-N 3.35Å; L330-V332 PolarHBondContact O-N 3.45Å |
| 331 | P | 54.1 | Low | 56.9 | Low | 100 Ų | 100 | 130.8 Ų | 130.8 | 65% | 0.649 | 64% | 0.644 | S | S | * | * | | | trans | -57.7 | 106.7 | -177.9 | 20.9 | -30.5 | 0 | 0 | 0 | 106.7 | E329 E333 | E329-P331 VanDerWaalsContact O-N 3.08Å; P331-E333 PolarHBondContact O-N 2.64Å; P331-E333 VanDerWaalsContact O-N 3.12Å |
| 332 | V | 52.5 | Low | 58.3 | Low | 102 Ų | 102 | 129.2 Ų | 129.2 | 62% | 0.618 | 64% | 0.641 | S | S | * | * | | | trans | -45.9 | 126.4 | 176.6 | 179.4 | 0 | 0 | 0 | 0 | 105.5 | L330 N334 | L330-V332 VanDerWaalsContact C-N 3.35Å; L330-V332 PolarHBondContact O-N 3.45Å; V332-N334 WeakPolarHBondContact CG1-OD1 3.49Å; V332-N334 PolarHBondContact O-N 3.18Å |
| 333 | E | 53.9 | Low | 59.3 | Low | 162 Ų | 162 | 130.8 Ų | 130.8 | 76% | 0.757 | 65% | 0.648 | S | S | * | * | | | trans | -66.2 | 67 | 178.2 | -167.4 | -176.4 | 172.5 | 0 | 0 | 108 | P331 Q335 | P331-E333 PolarHBondContact O-N 2.64Å; P331-E333 VanDerWaalsContact O-N 3.12Å; E333-Q335 PolarHBondContact O-N 3.15Å |
| 334 | N | 53.6 | Low | 60 | Low | 85 Ų | 85 | 125.6 Ų | 125.6 | 46% | 0.455 | 63% | 0.629 | S | S | . | * | | | trans | -67.5 | 106.6 | -179.3 | -76.6 | -26.6 | 0 | 0 | 0 | 104 | V332 K336 K337 | V332-N334 WeakPolarHBondContact CG1-OD1 3.49Å; V332-N334 PolarHBondContact O-N 3.18Å; N334-K336 CarbonylContact O-C 3.56Å; N334-K336 PolarHBondContact O-N 3.1Å; N334-K337 PolarHBondContact O-N 2.82Å |
| 335 | Q | 56.1 | Low | 60.8 | Low | 157 Ų | 157 | 127.5 Ų | 127.5 | 73% | 0.734 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -47.5 | -24.5 | 178.3 | -63.6 | -174.9 | -0.5 | 0 | 0 | 112.5 | E333 K338 K339 | E333-Q335 PolarHBondContact O-N 3.15Å; Q335-K338 PolarHBondContact O-N 3.22Å; Q335-K339 PolarHBondContact O-N 2.93Å; Q335-K339 VanDerWaalsContact O-N 3.13Å |
| 336 | K | 61.9 | Low | 61.7 | Low | 182 Ų | 182 | 128.8 Ų | 128.8 | 79% | 0.791 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -53 | -45.9 | 168.5 | -65 | -172.4 | 178.5 | -177.5 | 0 | 113.4 | N334 K338 K339 F340 | N334-K336 CarbonylContact O-C 3.56Å; N334-K336 PolarHBondContact O-N 3.1Å; K336-K338 PolarHBondContact O-N 3.37Å; K336-K339 PolarHBondContact O-N 2.75Å; K336-F340 PolarHBondContact O-N 2.78Å |
| 337 | K | 59.1 | Low | 62.9 | Low | 120 Ų | 120 | 129.9 Ų | 129.9 | 52% | 0.522 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -63.3 | -40.3 | 177.4 | -71.7 | -173.4 | 177.4 | 179 | 0 | 111.9 | N334 K339 F340 W341 | N334-K337 PolarHBondContact O-N 2.82Å; K337-K339 VanDerWaalsContact C-N 3.32Å; K337-K339 PolarHBondContact O-N 3.47Å; K337-F340 PolarHBondContact O-N 2.71Å; K337-W341 PolarHBondContact O-N 3.15Å |
| 338 | K | 62.2 | Low | 64.2 | Low | 124 Ų | 124 | 127.2 Ų | 127.2 | 54% | 0.539 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.1 | -35 | 178.4 | -166.8 | 174 | -172.4 | 168 | 0 | 112.2 | Q335 K336 K342 | Q335-K338 PolarHBondContact O-N 3.22Å; K336-K338 PolarHBondContact O-N 3.37Å; K338-K342 WeakPolarHBondContact O-CG 3.33Å; K338-K342 PolarHBondContact O-N 3.47Å |
| 339 | K | 74.2 | Confident | 65.2 | Low | 151 Ų | 151 | 127.2 Ų | 127.2 | 66% | 0.657 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.1 | -46.6 | 171.9 | -72.1 | -173.9 | 179 | -176.1 | 0 | 111.1 | Q335 K336 K337 W341 K342 E343 | Q335-K339 PolarHBondContact O-N 2.93Å; Q335-K339 VanDerWaalsContact O-N 3.13Å; K336-K339 PolarHBondContact O-N 2.75Å; K337-K339 VanDerWaalsContact C-N 3.32Å; K337-K339 PolarHBondContact O-N 3.47Å; K339-W341 PolarHBondContact O-N 3.1Å; K339-K342 PolarHBondContact O-N 3.34Å; K339-K342 VanDerWaalsContact O-N 3.17Å; K339-E343 WeakPolarHBondContact O-CB 3.21Å; K339-E343 PolarHBondContact O-N 2.79Å |
| 340 | F | 75.2 | Confident | 65.9 | Low | 136 Ų | 136 | 121.5 Ų | 121.5 | 60% | 0.596 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -56.7 | -46.2 | 177.5 | -174.8 | -96.3 | 0 | 0 | 0 | 112.8 | K336 K337 K342 E343 A344 | K336-F340 PolarHBondContact O-N 2.78Å; K337-F340 PolarHBondContact O-N 2.71Å; F340-K342 PolarHBondContact O-N 2.97Å; F340-E343 PolarHBondContact O-N 2.9Å; F340-A344 WeakPolarHBondContact O-CB 3.24Å; F340-A344 PolarHBondContact O-N 3.34Å |
| 341 | W | 69.8 | Low | 66.9 | Low | 185 Ų | 185 | 120.7 Ų | 120.7 | 70% | 0.701 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.6 | -38.1 | 177.6 | -75.8 | 114.3 | 0 | 0 | 0 | 113.5 | K337 K339 L345 | K337-W341 PolarHBondContact O-N 3.15Å; K339-W341 PolarHBondContact O-N 3.1Å; W341-L345 WeakPolarHBondContact O-CB 3.24Å; W341-L345 PolarHBondContact O-N 3.11Å |
| 342 | K | 76.2 | Confident | 67.3 | Low | 139 Ų | 139 | 122 Ų | 122 | 60% | 0.604 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.9 | -43.3 | 175.2 | -79.5 | -177 | 175.4 | -173.3 | 0 | 111.4 | K338 K339 F340 L345 C346 | K338-K342 WeakPolarHBondContact O-CG 3.33Å; K338-K342 PolarHBondContact O-N 3.47Å; K339-K342 PolarHBondContact O-N 3.34Å; K339-K342 VanDerWaalsContact O-N 3.17Å; F340-K342 PolarHBondContact O-N 2.97Å; K342-L345 PolarHBondContact O-N 3.36Å; K342-C346 PolarHBondContact O-N 3.28Å; K342-C346 PolarHBondContact O-SG 3.25Å |
| 343 | E | 75.2 | Confident | 67.8 | Low | 132 Ų | 132 | 122.5 Ų | 122.5 | 62% | 0.617 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65 | -46.8 | 178.6 | -168.5 | 171.7 | -178.8 | 0 | 0 | 111.3 | K339 F340 L345 C346 T347 | K339-E343 WeakPolarHBondContact O-CB 3.21Å; K339-E343 PolarHBondContact O-N 2.79Å; F340-E343 PolarHBondContact O-N 2.9Å; E343-L345 VanDerWaalsContact C-N 3.31Å; E343-L345 PolarHBondContact O-N 2.87Å; E343-C346 WeakPolarHBondContact O-CB 3.41Å; E343-C346 PolarHBondContact O-N 2.92Å; E343-C346 VanDerWaalsContact O-N 3.14Å; E343-T347 PolarHBondContact O-N 2.98Å; E343-T347 PolarHBondContact O-OG1 3.07Å |
| 344 | A | 73.1 | Confident | 68.1 | Low | 41 Ų | 41 | 120.6 Ų | 120.6 | 34% | 0.339 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -57.6 | -41.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F340 T347 L348 | F340-A344 WeakPolarHBondContact O-CB 3.24Å; F340-A344 PolarHBondContact O-N 3.34Å; A344-T347 PolarHBondContact O-N 3.04Å; A344-L348 WeakPolarHBondContact O-CB 3.45Å; A344-L348 PolarHBondContact O-N 3.4Å |
| 345 | L | 76.5 | Confident | 68.3 | Low | 121 Ų | 121 | 122.1 Ų | 122.1 | 63% | 0.634 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67 | -40.8 | 176.8 | -170.2 | 73.8 | 0 | 0 | 0 | 112.1 | W341 K342 E343 L348 K349 | W341-L345 WeakPolarHBondContact O-CB 3.24Å; W341-L345 PolarHBondContact O-N 3.11Å; K342-L345 PolarHBondContact O-N 3.36Å; E343-L345 VanDerWaalsContact C-N 3.31Å; E343-L345 PolarHBondContact O-N 2.87Å; L345-L348 PolarHBondContact O-N 3.11Å; L345-K349 WeakPolarHBondContact O-CB 3.25Å; L345-K349 PolarHBondContact O-N 3.16Å |
| 346 | C | 73.2 | Confident | 68.4 | Low | 93 Ų | 93 | 121 Ų | 121 | 63% | 0.628 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.8 | -44.4 | 174.6 | -80.1 | 0 | 0 | 0 | 0 | 111.5 | K342 E343 L348 K349 G350 | K342-C346 PolarHBondContact O-N 3.28Å; K342-C346 PolarHBondContact O-SG 3.25Å; E343-C346 WeakPolarHBondContact O-CB 3.41Å; E343-C346 PolarHBondContact O-N 2.92Å; E343-C346 VanDerWaalsContact O-N 3.14Å; C346-L348 PolarHBondContact O-N 2.63Å; C346-K349 PolarHBondContact O-N 3.14Å; C346-G350 PolarHBondContact O-N 2.81Å |
| 347 | T | 74.6 | Confident | 68.3 | Low | 77 Ų | 77 | 120 Ų | 120 | 47% | 0.472 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.5 | -41.7 | 176.5 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | E343 A344 G350 K351 | E343-T347 PolarHBondContact O-N 2.98Å; E343-T347 PolarHBondContact O-OG1 3.07Å; A344-T347 PolarHBondContact O-N 3.04Å; T347-G350 PolarHBondContact O-N 2.72Å; T347-K351 WeakPolarHBondContact O-CG 3.45Å; T347-K351 PolarHBondContact O-N 2.73Å |
| 348 | L | 74 | Confident | 68 | Low | 116 Ų | 116 | 122.1 Ų | 122.1 | 61% | 0.607 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.3 | -40.4 | 176.6 | -170.7 | 68.2 | 0 | 0 | 0 | 111.9 | A344 L345 C346 K351 K352 | A344-L348 WeakPolarHBondContact O-CB 3.45Å; A344-L348 PolarHBondContact O-N 3.4Å; L345-L348 PolarHBondContact O-N 3.11Å; C346-L348 PolarHBondContact O-N 2.63Å; L348-K351 PolarHBondContact O-N 2.75Å; L348-K352 PolarHBondContact O-N 2.85Å |
| 349 | K | 74.4 | Confident | 67.5 | Low | 140 Ų | 140 | 124.6 Ų | 124.6 | 61% | 0.609 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64 | -41.4 | 176.4 | -168.6 | -177.4 | 176 | -170.9 | 0 | 111.8 | L345 C346 K352 E353 | L345-K349 WeakPolarHBondContact O-CB 3.25Å; L345-K349 PolarHBondContact O-N 3.16Å; C346-K349 PolarHBondContact O-N 3.14Å; K349-K352 WeakPolarHBondContact O-CB 3.32Å; K349-K352 PolarHBondContact O-N 3.27Å; K349-E353 PolarHBondContact O-N 2.91Å |
| 350 | G | 65.7 | Low | 66.3 | Low | 40 Ų | 40 | 125.6 Ų | 125.6 | 41% | 0.412 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.4 | -43.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | C346 T347 K352 E353 L354 | C346-G350 PolarHBondContact O-N 2.81Å; T347-G350 PolarHBondContact O-N 2.72Å; G350-K352 VanDerWaalsContact C-N 3.34Å; G350-K352 PolarHBondContact O-N 3.01Å; G350-E353 PolarHBondContact O-N 2.95Å; G350-L354 PolarHBondContact O-N 2.94Å; G350-L354 VanDerWaalsContact O-N 3.15Å |
| 351 | K | 69.3 | Low | 64.9 | Low | 131 Ų | 131 | 127.9 Ų | 127.9 | 57% | 0.57 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.8 | -38.3 | 174.8 | -74.7 | -177.1 | 178.6 | -175.2 | 0 | 112.5 | T347 L348 L354 L355 | T347-K351 WeakPolarHBondContact O-CG 3.45Å; T347-K351 PolarHBondContact O-N 2.73Å; L348-K351 PolarHBondContact O-N 2.75Å; K351-L354 PolarHBondContact O-N 2.95Å; K351-L355 WeakPolarHBondContact O-CG 3.44Å; K351-L355 PolarHBondContact O-N 2.91Å |
| 352 | K | 63.3 | Low | 63.5 | Low | 128 Ų | 128 | 130.7 Ų | 130.7 | 56% | 0.557 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -55.8 | -54.1 | 173.8 | -176 | 179.2 | 176.4 | 177.9 | 0 | 110.1 | L348 K349 G350 L354 L355 F356 | L348-K352 PolarHBondContact O-N 2.85Å; K349-K352 WeakPolarHBondContact O-CB 3.32Å; K349-K352 PolarHBondContact O-N 3.27Å; G350-K352 VanDerWaalsContact C-N 3.34Å; G350-K352 PolarHBondContact O-N 3.01Å; K352-L354 PolarHBondContact O-N 3.19Å; K352-L355 PolarHBondContact O-N 3.2Å; K352-F356 HydrophobicContact CD-CD2 4.36Å; K352-F356 HydrophobicContact CD-CE2 4.08Å; K352-F356 HydrophobicContact CG-CD2 3.48Å; K352-F356 VanDerWaalsContact CG-CD2 3.48Å; K352-F356 HydrophobicContact CG-CE2 3.51Å; K352-F356 VanDerWaalsContact O-CD2 3.23Å; K352-F356 WeakPolarHBondContact O-CD2 3.32Å; K352-F356 PolarHBondContact O-N 3.19Å |
| 353 | E | 61.9 | Low | 61.9 | Low | 112 Ų | 112 | 127.2 Ų | 127.2 | 52% | 0.523 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -58.2 | -34.3 | 179.1 | -71.1 | -178.1 | -167.2 | 0 | 0 | 112.8 | K349 G350 K357 | K349-E353 PolarHBondContact O-N 2.91Å; G350-E353 PolarHBondContact O-N 2.95Å; E353-K357 VanDerWaalsContact O-CB 3.29Å; E353-K357 WeakPolarHBondContact O-CB 3.29Å; E353-K357 PolarHBondContact O-N 3.31Å |
| 354 | L | 61.5 | Low | 60.5 | Low | 122 Ų | 122 | 128.8 Ų | 128.8 | 64% | 0.639 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.5 | -41.1 | 178.5 | -144.3 | 144.7 | 0 | 0 | 0 | 112.4 | G350 K351 K352 K358 | G350-L354 PolarHBondContact O-N 2.94Å; G350-L354 VanDerWaalsContact O-N 3.15Å; K351-L354 PolarHBondContact O-N 2.95Å; K352-L354 PolarHBondContact O-N 3.19Å; L354-K358 VanDerWaalsContact O-CB 3.28Å; L354-K358 WeakPolarHBondContact O-CB 3.39Å; L354-K358 PolarHBondContact O-N 3.19Å |
| 355 | L | 57.3 | Low | 59.1 | Low | 117 Ų | 117 | 134.9 Ų | 134.9 | 61% | 0.613 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.5 | -45.9 | 174.6 | -71.4 | 170.9 | 0 | 0 | 0 | 111.6 | K351 K352 K358 Q359 | K351-L355 WeakPolarHBondContact O-CG 3.44Å; K351-L355 PolarHBondContact O-N 2.91Å; K352-L355 PolarHBondContact O-N 3.2Å; L355-K358 PolarHBondContact O-N 3.15Å; L355-Q359 PolarHBondContact O-N 3.46Å; L355-Q359 VanDerWaalsContact O-N 3.1Å |
| 356 | F | 58.6 | Low | 57.4 | Low | 135 Ų | 135 | 132.3 Ų | 132.3 | 59% | 0.592 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69 | -34.8 | 179.5 | -79.7 | -80.5 | 0 | 0 | 0 | 112.4 | K352 | K352-F356 HydrophobicContact CD-CD2 4.36Å; K352-F356 HydrophobicContact CD-CE2 4.08Å; K352-F356 HydrophobicContact CG-CD2 3.48Å; K352-F356 VanDerWaalsContact CG-CD2 3.48Å; K352-F356 HydrophobicContact CG-CE2 3.51Å; K352-F356 VanDerWaalsContact O-CD2 3.23Å; K352-F356 WeakPolarHBondContact O-CD2 3.32Å; K352-F356 PolarHBondContact O-N 3.19Å |
| 357 | K | 58.2 | Low | 56.1 | Low | 160 Ų | 160 | 136.3 Ų | 136.3 | 70% | 0.696 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -70.6 | -37 | 172.4 | -85.8 | -179.1 | 174.3 | 174.4 | 0 | 113.1 | E353 | E353-K357 VanDerWaalsContact O-CB 3.29Å; E353-K357 WeakPolarHBondContact O-CB 3.29Å; E353-K357 PolarHBondContact O-N 3.31Å |
| 358 | K | 53.9 | Low | 54.7 | Low | 164 Ų | 164 | 139 Ų | 139 | 71% | 0.713 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -69.9 | -33.7 | -179.2 | -163.4 | 175 | -179.6 | -174.1 | 0 | 111.5 | L354 L355 | L354-K358 VanDerWaalsContact O-CB 3.28Å; L354-K358 WeakPolarHBondContact O-CB 3.39Å; L354-K358 PolarHBondContact O-N 3.19Å; L355-K358 PolarHBondContact O-N 3.15Å |
| 359 | Q | 52.3 | Low | 53.4 | Low | 177 Ų | 177 | 138.1 Ų | 138.1 | 83% | 0.827 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -75.8 | -16.9 | 178.6 | -71 | -144.4 | -4 | 0 | 0 | 115.4 | L355 K361 | L355-Q359 PolarHBondContact O-N 3.46Å; L355-Q359 VanDerWaalsContact O-N 3.1Å; Q359-K361 VanDerWaalsContact C-N 3.32Å; Q359-K361 PolarHBondContact O-N 3.36Å |
| 360 | M | 48.6 | Very low | 52.6 | Low | 172 Ų | 172 | 133.1 Ų | 133.1 | 85% | 0.847 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -8.8 | 176.3 | -95.7 | 166.6 | 83.3 | 0 | 0 | 114.3 | R362 | M360-R362 PolarHBondContact O-N 2.9Š|
| 361 | K | 44.7 | Very low | 52.4 | Low | 184 Ų | 184 | 135.7 Ų | 135.7 | 80% | 0.8 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -87.4 | 93 | 174.2 | -82.7 | -172.3 | 176.4 | -176.2 | 0 | 110.5 | Q359 | Q359-K361 VanDerWaalsContact C-N 3.32Å; Q359-K361 PolarHBondContact O-N 3.36Å |
| 362 | R | 41.5 | Very low | 51.9 | Low | 244 Ų | 244 | 134 Ų | 134 | 92% | 0.921 | 65% | 0.653 | S | S | * | * | | | trans | 48.4 | 100.1 | 143.7 | -73.3 | -175.2 | 164.8 | 130.9 | -2.2 | 117 | M360 | M360-R362 PolarHBondContact O-N 2.9Š|
| 363 | S | 42.8 | Very low | 51.8 | Low | 65 Ų | 65 | 131.9 Ų | 131.9 | 46% | 0.455 | 65% | 0.651 | S | S | . | * | | | | -158.8 | 120.6 | 115.8 | 44.8 | 0 | 0 | 0 | 0 | 108 | E365 C366 | S363-E365 PolarHBondContact O-N 3.17Å; S363-C366 PolarHBondContact O-N 3.42Å; S363-C366 PolarHBondContact OG-SG 3.04Å; S363-C366 VanDerWaalsContact OG-SG 3.36Å |
| 364 | D | 44.2 | Very low | 51.9 | Low | 166 Ų | 166 | 132.3 Ų | 132.3 | 89% | 0.888 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -60.5 | -0.1 | 170.9 | -74.1 | -47.8 | 0 | 0 | 0 | 112.6 | | |
| 365 | E | 43.7 | Very low | 51.8 | Low | 169 Ų | 169 | 128.1 Ų | 128.1 | 79% | 0.79 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -85.7 | -6.2 | 175.2 | -63.8 | 178 | 171 | 0 | 0 | 113.6 | S363 | S363-E365 PolarHBondContact O-N 3.17Š|
| 366 | C | 42.5 | Very low | 52.1 | Low | 66 Ų | 66 | 126.8 Ų | 126.8 | 45% | 0.446 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -87.6 | -0.4 | -178.5 | -70.8 | 0 | 0 | 0 | 0 | 115.2 | S363 E368 F369 | S363-C366 PolarHBondContact O-N 3.42Å; S363-C366 PolarHBondContact OG-SG 3.04Å; S363-C366 VanDerWaalsContact OG-SG 3.36Å; C366-E368 PolarHBondContact O-N 3.36Å; C366-F369 HydrophobicContact CB-CD2 4.47Å; C366-F369 PolarHBondContact O-N 3.24Å |
| 367 | M | 45.8 | Very low | 52.4 | Low | 177 Ų | 177 | 125.8 Ų | 125.8 | 87% | 0.872 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -64.3 | -6 | 176.8 | -70.8 | -70.3 | -91.7 | 0 | 0 | 113.9 | | |
| 368 | E | 45.2 | Very low | 52.6 | Low | 134 Ų | 134 | 125.4 Ų | 125.4 | 63% | 0.626 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -92.8 | -12.2 | 174.8 | -150.5 | 178.5 | -155.8 | 0 | 0 | 113.7 | C366 G370 H375 K391 | C366-E368 PolarHBondContact O-N 3.36Å; E368-G370 PolarHBondContact O-N 3.49Å; E368-H375 PolarHBondContact O-NE2 3.5Å; E368-K391 IonicContact OE2-NZ 3.96Å; E368-K391 PolarHBondContact OE2-NZ 2.87Å |
| 369 | F | 46.4 | Very low | 52.9 | Low | 97 Ų | 97 | 118.5 Ų | 118.5 | 43% | 0.425 | 59% | 0.585 | S | S | . | * | | | trans | -80.5 | 66.2 | 165 | -67.7 | -89.7 | 0 | 0 | 0 | 108.7 | C366 K391 | C366-F369 HydrophobicContact CB-CD2 4.47Å; C366-F369 PolarHBondContact O-N 3.24Å; F369-K391 HydrophobicContact CD1-CB 3.84Å; F369-K391 HydrophobicContact CD1-CD 4.49Å; F369-K391 WeakPolarHBondContact CD1-O 3.38Å; F369-K391 HydrophobicContact CD2-CD 4.34Å; F369-K391 HydrophobicContact CE1-CB 3.43Å; F369-K391 VanDerWaalsContact CE1-CB 3.43Å; F369-K391 HydrophobicContact CE1-CD 4.04Å; F369-K391 HydrophobicContact CE1-CG 3.87Å; F369-K391 VanDerWaalsContact CE1-O 3.25Å; F369-K391 WeakPolarHBondContact CE1-O 3.26Å; F369-K391 HydrophobicContact CE2-CD 3.83Å; F369-K391 HydrophobicContact CE2-CG 4.46Å; F369-K391 HydrophobicContact CZ-CB 3.9Å; F369-K391 HydrophobicContact CZ-CD 3.66Å; F369-K391 HydrophobicContact CZ-CG 3.78Å |
| 370 | G | 57 | Low | 53.4 | Low | 35 Ų | 35 | 114 Ų | 114 | 36% | 0.361 | 58% | 0.579 | S | S | . | * | | | trans | -49.7 | 162.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E368 H375 | E368-G370 PolarHBondContact O-N 3.49Å; G370-H375 PolarHBondContact N-NE2 2.74Å; G370-H375 PolarHBondContact O-CD2 2.88Å; G370-H375 PolarHBondContact O-NE2 3.05Å |
| 371 | D | 61.7 | Low | 53.9 | Low | 94 Ų | 94 | 109.5 Ų | 109.5 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | | | trans | -27.9 | 117.7 | -173.6 | 178.2 | 6 | 0 | 0 | 0 | 113.7 | V373 Y374 H375 | D371-V373 PolarHBondContact O-N 2.68Å; D371-V373 VanDerWaalsContact O-N 3.08Å; D371-V373 WeakPolarHBondContact OD1-CB 3.32Å; D371-V373 PolarHBondContact OD1-N 2.74Å; D371-Y374 WeakPolarHBondContact O-CA 3.35Å; D371-Y374 WeakPolarHBondContact O-CB 3.29Å; D371-Y374 PolarHBondContact O-N 2.63Å; D371-H375 PolarHBondContact O-N 2.89Å |
| 372 | P | 58 | Low | 54.4 | Low | 95 Ų | 95 | 103.4 Ų | 103.4 | 62% | 0.617 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -58.1 | -26.7 | -179.5 | 23.8 | -34 | 0 | 0 | 0 | 112.2 | L376 | P372-L376 VanDerWaalsContact O-CB 3.32Å; P372-L376 WeakPolarHBondContact O-CB 3.27Å; P372-L376 PolarHBondContact O-N 3.03Å |
| 373 | V | 62.9 | Low | 55.1 | Low | 84 Ų | 84 | 98.4 Ų | 98.4 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.3 | -42.9 | 174.4 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | D371 L376 L377 | D371-V373 PolarHBondContact O-N 2.68Å; D371-V373 VanDerWaalsContact O-N 3.08Å; D371-V373 WeakPolarHBondContact OD1-CB 3.32Å; D371-V373 PolarHBondContact OD1-N 2.74Å; V373-L376 PolarHBondContact O-N 2.87Å; V373-L377 HydrophobicContact CG1-CD1 4.08Å; V373-L377 HydrophobicContact CG1-CG 4.49Å; V373-L377 WeakPolarHBondContact O-CB 3.41Å; V373-L377 WeakPolarHBondContact O-CG 3.28Å; V373-L377 PolarHBondContact O-N 3.27Å |
| 374 | Y | 64.2 | Low | 55.7 | Low | 121 Ų | 121 | 98.7 Ų | 98.7 | 48% | 0.475 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60 | -45.5 | 173.9 | 176.3 | -95.9 | 0 | 0 | 0 | 111.5 | D371 L376 L377 R378 | D371-Y374 WeakPolarHBondContact O-CA 3.35Å; D371-Y374 WeakPolarHBondContact O-CB 3.29Å; D371-Y374 PolarHBondContact O-N 2.63Å; Y374-L376 PolarHBondContact O-N 3.45Å; Y374-L377 PolarHBondContact O-N 2.8Å; Y374-R378 WeakPolarHBondContact O-CB 3.43Å; Y374-R378 PolarHBondContact O-N 2.94Å; Y374-R378 PolarHBondContact OH-NH1 3.22Å |
| 375 | H | 58.7 | Low | 56.2 | Low | 34 Ų | 34 | 92.9 Ų | 92.9 | 16% | 0.157 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -66.4 | -36 | 177.6 | -76.3 | -47.1 | 0 | 0 | 0 | 112.8 | E368 G370 D371 R378 C379 C392 | E368-H375 PolarHBondContact O-NE2 3.5Å; G370-H375 PolarHBondContact N-NE2 2.74Å; G370-H375 PolarHBondContact O-CD2 2.88Å; G370-H375 PolarHBondContact O-NE2 3.05Å; D371-H375 PolarHBondContact O-N 2.89Å; H375-R378 PolarHBondContact O-N 3.26Å; H375-C379 VanDerWaalsContact O-CB 3.24Å; H375-C379 WeakPolarHBondContact O-CB 3.35Å; H375-C379 PolarHBondContact O-N 3.14Å; H375-C392 HydrophobicContact CB-CB 4.27Å |
| 376 | L | 64.6 | Low | 56.5 | Low | 89 Ų | 89 | 90.8 Ų | 90.8 | 47% | 0.466 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.2 | -44 | 174.4 | -167.4 | 78.4 | 0 | 0 | 0 | 111.6 | P372 V373 Y374 R378 C379 A380 I393 | P372-L376 VanDerWaalsContact O-CB 3.32Å; P372-L376 WeakPolarHBondContact O-CB 3.27Å; P372-L376 PolarHBondContact O-N 3.03Å; V373-L376 PolarHBondContact O-N 2.87Å; Y374-L376 PolarHBondContact O-N 3.45Å; L376-R378 VanDerWaalsContact C-N 3.33Å; L376-R378 PolarHBondContact O-N 3.22Å; L376-C379 WeakPolarHBondContact O-CB 3.33Å; L376-C379 PolarHBondContact O-N 3.38Å; L376-A380 WeakPolarHBondContact O-CB 3.23Å; L376-A380 PolarHBondContact O-N 3.2Å; L376-I393 HydrophobicContact CD1-CG2 3.96Å |
| 377 | L | 63.5 | Low | 57.1 | Low | 115 Ų | 115 | 91 Ų | 91 | 60% | 0.602 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.2 | -39.4 | 176.4 | -73.8 | 169.7 | 0 | 0 | 0 | 111.5 | V373 Y374 A380 A381 | V373-L377 HydrophobicContact CG1-CD1 4.08Å; V373-L377 HydrophobicContact CG1-CG 4.49Å; V373-L377 WeakPolarHBondContact O-CB 3.41Å; V373-L377 WeakPolarHBondContact O-CG 3.28Å; V373-L377 PolarHBondContact O-N 3.27Å; Y374-L377 PolarHBondContact O-N 2.8Å; L377-A380 PolarHBondContact O-N 3.29Å; L377-A381 WeakPolarHBondContact O-CB 3.44Å; L377-A381 PolarHBondContact O-N 3Å |
| 378 | R | 62.2 | Low | 57.5 | Low | 151 Ų | 151 | 87.6 Ų | 87.6 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.9 | -40.3 | 175.1 | -170.2 | 172.5 | 175.8 | 144.2 | -4.8 | 112.1 | Y374 H375 L376 A381 S382 | Y374-R378 WeakPolarHBondContact O-CB 3.43Å; Y374-R378 PolarHBondContact O-N 2.94Å; Y374-R378 PolarHBondContact OH-NH1 3.22Å; H375-R378 PolarHBondContact O-N 3.26Å; L376-R378 VanDerWaalsContact C-N 3.33Å; L376-R378 PolarHBondContact O-N 3.22Å; R378-A381 PolarHBondContact O-N 3.37Å; R378-S382 PolarHBondContact O-N 2.98Å |
| 379 | C | 61.4 | Low | 57.8 | Low | 20 Ų | 20 | 86.6 Ų | 86.6 | 14% | 0.135 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 173.3 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | H375 L376 H385 C392 C394 | H375-C379 VanDerWaalsContact O-CB 3.24Å; H375-C379 WeakPolarHBondContact O-CB 3.35Å; H375-C379 PolarHBondContact O-N 3.14Å; L376-C379 WeakPolarHBondContact O-CB 3.33Å; L376-C379 PolarHBondContact O-N 3.38Å; C379-H385 VanDerWaalsContact CA-CE1 3.48Å; C379-H385 WeakPolarHBondContact CA-CE1 3.29Å; C379-H385 PolarHBondContact O-CE1 3.38Å; C379-H385 PolarHBondContact O-ND1 2.95Å; C379-H385 PolarHBondContact SG-CE1 2.96Å; C379-H385 PolarHBondContact SG-NE2 3.44Å; C379-C392 HydrophobicContact CB-CB 4.18Å; C379-C394 WeakPolarHBondContact CB-SG 3.47Å; C379-C394 WeakPolarHBondContact SG-CB 3.46Å; C379-C394 CovalentContact SG-SG 2.06Å; C379-C394 PolarHBondContact SG-SG 3.33Å |
| 380 | A | 62.2 | Low | 58 | Low | 83 Ų | 83 | 83 Ų | 83 | 69% | 0.686 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.8 | -31.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L376 L377 | L376-A380 WeakPolarHBondContact O-CB 3.23Å; L376-A380 PolarHBondContact O-N 3.2Å; L377-A380 PolarHBondContact O-N 3.29Å |
| 381 | A | 59.3 | Low | 57.9 | Low | 77 Ų | 77 | 85.7 Ų | 85.7 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -78.4 | -21.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L377 R378 P383 | L377-A381 WeakPolarHBondContact O-CB 3.44Å; L377-A381 PolarHBondContact O-N 3Å; R378-A381 PolarHBondContact O-N 3.37Å; A381-P383 WeakPolarHBondContact O-CD 3.49Å |
| 382 | S | 55.8 | Low | 57.7 | Low | 55 Ų | 55 | 81.3 Ų | 81.3 | 39% | 0.385 | 48% | 0.481 | S | S | . | . | | | trans | -117.4 | 97 | -177.5 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | R378 G384 H385 | R378-S382 PolarHBondContact O-N 2.98Å; S382-G384 PolarHBondContact O-N 3.39Å; S382-H385 PolarHBondContact O-N 2.98Å; S382-H385 PolarHBondContact O-ND1 3.48Å |
| 383 | P | 55.4 | Low | 57.8 | Low | 140 Ų | 140 | 80.1 Ų | 80.1 | 91% | 0.909 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 4.6 | -178.1 | -20.4 | 31.1 | 0 | 0 | 0 | 116.3 | A381 | A381-P383 WeakPolarHBondContact O-CD 3.49Š|
| 384 | G | 54.3 | Low | 57.5 | Low | 70 Ų | 70 | 78.9 Ų | 78.9 | 72% | 0.722 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.4 | 26 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S382 | S382-G384 PolarHBondContact O-N 3.39Š|
| 385 | H | 56.3 | Low | 57.2 | Low | 45 Ų | 45 | 76.4 Ų | 76.4 | 21% | 0.208 | 46% | 0.456 | C | S | . | . | | | trans | -74.4 | 138.2 | 176.5 | 66.2 | -87.5 | 0 | 0 | 0 | 110.7 | C379 S382 C390 H395 | C379-H385 VanDerWaalsContact CA-CE1 3.48Å; C379-H385 WeakPolarHBondContact CA-CE1 3.29Å; C379-H385 PolarHBondContact O-CE1 3.38Å; C379-H385 PolarHBondContact O-ND1 2.95Å; C379-H385 PolarHBondContact SG-CE1 2.96Å; C379-H385 PolarHBondContact SG-NE2 3.44Å; S382-H385 PolarHBondContact O-N 2.98Å; S382-H385 PolarHBondContact O-ND1 3.48Å; H385-C390 PolarHBondContact CD2-SG 3.28Å; H385-C390 PolarHBondContact NE2-SG 3.12Å; H385-H395 AromaticContact CD2-CD2 3.76Å; H385-H395 AromaticContact CD2-NE2 3.75Å; H385-H395 AromaticContact CE1-NE2 3.66Å; H385-H395 AromaticContact NE2-CD2 3.05Å; H385-H395 PolarHBondContact NE2-CD2 2.94Å; H385-H395 AromaticContact NE2-NE2 2.96Å; H385-H395 PolarHBondContact NE2-NE2 3.38Å |
| 386 | Q | 49.8 | Very low | 57.1 | Low | 125 Ų | 125 | 78.2 Ų | 78.2 | 58% | 0.584 | 47% | 0.466 | S | S | * | . | | | trans | -75.6 | 130.7 | -179.6 | -72.4 | -72.4 | -28.5 | 0 | 0 | 109.9 | S388 T389 C390 | Q386-S388 PolarHBondContact O-N 2.83Å; Q386-S388 VanDerWaalsContact O-N 3.1Å; Q386-T389 HydrophobicContact CB-CG2 4.47Å; Q386-T389 PolarHBondContact O-N 2.91Å; Q386-T389 PolarHBondContact O-OG1 3.41Å; Q386-C390 PolarHBondContact O-N 3.05Å |
| 387 | P | 54.5 | Low | 56.7 | Low | 70 Ų | 70 | 83.4 Ų | 83.4 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -32.3 | 176 | -23.6 | 30.4 | 0 | 0 | 0 | 113 | T389 H395 | P387-T389 PolarHBondContact O-N 2.94Å; P387-H395 HydrophobicContact CB-CB 4.08Å |
| 388 | S | 53.5 | Low | 55.9 | Low | 106 Ų | 106 | 82.1 Ų | 82.1 | 74% | 0.741 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20 | 178.2 | 57 | 0 | 0 | 0 | 0 | 114.4 | Q386 | Q386-S388 PolarHBondContact O-N 2.83Å; Q386-S388 VanDerWaalsContact O-N 3.1Å |
| 389 | T | 52.4 | Low | 55.3 | Low | 112 Ų | 112 | 76.6 Ų | 76.6 | 69% | 0.687 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | -20.3 | -175.1 | 61.2 | 0 | 0 | 0 | 0 | 113.9 | Q386 P387 | Q386-T389 HydrophobicContact CB-CG2 4.47Å; Q386-T389 PolarHBondContact O-N 2.91Å; Q386-T389 PolarHBondContact O-OG1 3.41Å; P387-T389 PolarHBondContact O-N 2.94Å |
| 390 | C | 51.6 | Low | 54.6 | Low | 23 Ų | 23 | 82.5 Ų | 82.5 | 16% | 0.155 | 51% | 0.509 | C | S | . | . | | | trans | -105.8 | 116.6 | 170.2 | 86.4 | 0 | 0 | 0 | 0 | 112.2 | H385 Q386 C392 H395 | H385-C390 PolarHBondContact CD2-SG 3.28Å; H385-C390 PolarHBondContact NE2-SG 3.12Å; Q386-C390 PolarHBondContact O-N 3.05Å; C390-C392 HydrophobicContact CB-CB 3.85Å; C390-C392 WeakPolarHBondContact CB-SG 3.43Å; C390-C392 PolarHBondContact O-N 2.89Å; C390-C392 PolarHBondContact O-SG 2.95Å; C390-C392 WeakPolarHBondContact SG-CB 3.23Å; C390-C392 CovalentContact SG-SG 2.04Å; C390-C392 PolarHBondContact SG-SG 3.14Å; C390-H395 VanDerWaalsContact SG-CD2 3.57Å |
| 391 | K | 53.5 | Low | 54 | Low | 91 Ų | 91 | 86 Ų | 86 | 40% | 0.396 | 51% | 0.512 | S | S | . | . | | | trans | -73.3 | 28.4 | 165.9 | -86.5 | 175.3 | -179.7 | 172.7 | 0 | 112.6 | E368 F369 | E368-K391 IonicContact OE2-NZ 3.96Å; E368-K391 PolarHBondContact OE2-NZ 2.87Å; F369-K391 HydrophobicContact CD1-CB 3.84Å; F369-K391 HydrophobicContact CD1-CD 4.49Å; F369-K391 WeakPolarHBondContact CD1-O 3.38Å; F369-K391 HydrophobicContact CD2-CD 4.34Å; F369-K391 HydrophobicContact CE1-CB 3.43Å; F369-K391 VanDerWaalsContact CE1-CB 3.43Å; F369-K391 HydrophobicContact CE1-CD 4.04Å; F369-K391 HydrophobicContact CE1-CG 3.87Å; F369-K391 VanDerWaalsContact CE1-O 3.25Å; F369-K391 WeakPolarHBondContact CE1-O 3.26Å; F369-K391 HydrophobicContact CE2-CD 3.83Å; F369-K391 HydrophobicContact CE2-CG 4.46Å; F369-K391 HydrophobicContact CZ-CB 3.9Å; F369-K391 HydrophobicContact CZ-CD 3.66Å; F369-K391 HydrophobicContact CZ-CG 3.78Å |
| 392 | C | 57.8 | Low | 53.4 | Low | 1 Ų | 1 | 83.8 Ų | 83.8 | 1% | 0.007 | 49% | 0.491 | C | S | . | . | | | trans | -77.7 | 146.3 | -176.2 | 53.9 | 0 | 0 | 0 | 0 | 110.2 | H375 C379 C390 C394 H395 L396 | H375-C392 HydrophobicContact CB-CB 4.27Å; C379-C392 HydrophobicContact CB-CB 4.18Å; C390-C392 HydrophobicContact CB-CB 3.85Å; C390-C392 WeakPolarHBondContact CB-SG 3.43Å; C390-C392 PolarHBondContact O-N 2.89Å; C390-C392 PolarHBondContact O-SG 2.95Å; C390-C392 WeakPolarHBondContact SG-CB 3.23Å; C390-C392 CovalentContact SG-SG 2.04Å; C390-C392 PolarHBondContact SG-SG 3.14Å; C392-C394 WeakPolarHBondContact CB-SG 3.48Å; C392-C394 PolarHBondContact O-N 3.44Å; C392-C394 PolarHBondContact SG-SG 2.91Å; C392-H395 PolarHBondContact O-N 2.87Å; C392-H395 PolarHBondContact SG-CD2 3.17Å; C392-L396 PolarHBondContact O-N 3.02Å |
| 393 | I | 59.1 | Low | 52.7 | Low | 70 Ų | 70 | 87.1 Ų | 87.1 | 36% | 0.359 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.7 | -176.6 | -156.1 | 165.1 | 0 | 0 | 0 | 114.1 | L376 H395 L396 C402 | L376-I393 HydrophobicContact CD1-CG2 3.96Å; I393-H395 VanDerWaalsContact C-N 3.27Å; I393-H395 PolarHBondContact O-N 3.31Å; I393-L396 HydrophobicContact CB-CD1 4.46Å; I393-L396 HydrophobicContact CG1-CD1 4.43Å; I393-C402 HydrophobicContact CD1-CB 4.42Å; I393-C402 HydrophobicContact CG1-CB 4.1Å |
| 394 | C | 57.4 | Low | 52.3 | Low | 58 Ų | 58 | 88.2 Ų | 88.2 | 39% | 0.392 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -21.7 | 173.5 | 42.4 | 0 | 0 | 0 | 0 | 113.2 | C379 C392 | C379-C394 WeakPolarHBondContact CB-SG 3.47Å; C379-C394 WeakPolarHBondContact SG-CB 3.46Å; C379-C394 CovalentContact SG-SG 2.06Å; C379-C394 PolarHBondContact SG-SG 3.33Å; C392-C394 WeakPolarHBondContact CB-SG 3.48Å; C392-C394 PolarHBondContact O-N 3.44Å; C392-C394 PolarHBondContact SG-SG 2.91Å |
| 395 | H | 57.9 | Low | 52.1 | Low | 70 Ų | 70 | 89.1 Ų | 89.1 | 32% | 0.324 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -123.5 | 9.2 | -175.5 | -71.9 | -68.6 | 0 | 0 | 0 | 114.6 | H385 P387 C390 C392 I393 E397 | H385-H395 AromaticContact CD2-CD2 3.76Å; H385-H395 AromaticContact CD2-NE2 3.75Å; H385-H395 AromaticContact CE1-NE2 3.66Å; H385-H395 AromaticContact NE2-CD2 3.05Å; H385-H395 PolarHBondContact NE2-CD2 2.94Å; H385-H395 AromaticContact NE2-NE2 2.96Å; H385-H395 PolarHBondContact NE2-NE2 3.38Å; P387-H395 HydrophobicContact CB-CB 4.08Å; C390-H395 VanDerWaalsContact SG-CD2 3.57Å; C392-H395 PolarHBondContact O-N 2.87Å; C392-H395 PolarHBondContact SG-CD2 3.17Å; I393-H395 VanDerWaalsContact C-N 3.27Å; I393-H395 PolarHBondContact O-N 3.31Å; H395-E397 PolarHBondContact O-N 3.46Å |
| 396 | L | 56.2 | Low | 51.7 | Low | 71 Ų | 71 | 90.1 Ų | 90.1 | 37% | 0.372 | 49% | 0.487 | S | S | . | . | | | trans | -62.9 | 105.6 | 167.7 | -91.3 | 105.2 | 0 | 0 | 0 | 108.7 | C392 I393 S398 | C392-L396 PolarHBondContact O-N 3.02Å; I393-L396 HydrophobicContact CB-CD1 4.46Å; I393-L396 HydrophobicContact CG1-CD1 4.43Å; L396-S398 PolarHBondContact O-N 3.27Å |
| 397 | E | 56.5 | Low | 51.9 | Low | 198 Ų | 198 | 87.8 Ų | 87.8 | 93% | 0.925 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -63 | -5.4 | 179.9 | -158.5 | 167.9 | -158 | 0 | 0 | 113 | H395 G399 | H395-E397 PolarHBondContact O-N 3.46Å; E397-G399 PolarHBondContact O-N 3.29Å |
| 398 | S | 47.4 | Very low | 51.7 | Low | 88 Ų | 88 | 90.6 Ų | 90.6 | 62% | 0.615 | 49% | 0.492 | S | S | * | . | | | trans | -80.6 | 70.7 | 169.1 | -44 | 0 | 0 | 0 | 0 | 110.7 | L396 D400 | L396-S398 PolarHBondContact O-N 3.27Å; S398-D400 PolarHBondContact O-N 2.76Å |
| 399 | G | 48.4 | Very low | 51.4 | Low | 36 Ų | 36 | 92.4 Ų | 92.4 | 37% | 0.371 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 7.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | E397 H403 | E397-G399 PolarHBondContact O-N 3.29Å; G399-H403 PolarHBondContact O-CD2 3.46Å |
| 400 | D | 48 | Very low | 51.1 | Low | 144 Ų | 144 | 90.9 Ų | 90.9 | 77% | 0.77 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -32.1 | -174.5 | -73.1 | -26.7 | 0 | 0 | 0 | 115 | S398 | S398-D400 PolarHBondContact O-N 2.76Š|
| 401 | E | 48.4 | Very low | 50.6 | Low | 156 Ų | 156 | 95.9 Ų | 95.9 | 73% | 0.729 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -36.9 | -174.7 | -66.2 | -164.2 | 163.5 | 0 | 0 | 113.3 | | |
| 402 | C | 46.3 | Very low | 49.9 | Very low | 31 Ų | 31 | 96.8 Ų | 96.8 | 21% | 0.209 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -78.2 | -34.6 | -174.6 | -70.5 | 0 | 0 | 0 | 0 | 113.7 | I393 K404 I405 V406 | I393-C402 HydrophobicContact CD1-CB 4.42Å; I393-C402 HydrophobicContact CG1-CB 4.1Å; C402-K404 VanDerWaalsContact C-N 3.25Å; C402-K404 PolarHBondContact O-N 3.45Å; C402-I405 PolarHBondContact O-N 3.48Å; C402-I405 VanDerWaalsContact O-N 3.1Å; C402-V406 PolarHBondContact O-N 2.99Å |
| 403 | H | 42.9 | Very low | 49.2 | Very low | 125 Ų | 125 | 103.5 Ų | 103.5 | 58% | 0.579 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.8 | -33.8 | 175.8 | -80.2 | -70 | 0 | 0 | 0 | 112.2 | G399 I405 V406 S407 | G399-H403 PolarHBondContact O-CD2 3.46Å; H403-I405 VanDerWaalsContact C-N 3.35Å; H403-I405 PolarHBondContact O-N 3.25Å; H403-V406 PolarHBondContact O-N 3.01Å; H403-S407 VanDerWaalsContact O-CB 3.29Å; H403-S407 WeakPolarHBondContact O-CB 3.39Å; H403-S407 PolarHBondContact O-N 2.94Å; H403-S407 PolarHBondContact O-OG 2.88Å |
| 404 | K | 46.3 | Very low | 48.2 | Very low | 163 Ų | 163 | 106.8 Ų | 106.8 | 71% | 0.709 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.6 | -41.1 | 173.4 | -88.7 | 179 | 179.1 | 169.6 | 0 | 112.4 | C402 E408 | C402-K404 VanDerWaalsContact C-N 3.25Å; C402-K404 PolarHBondContact O-N 3.45Å; K404-E408 VanDerWaalsContact O-CB 3.27Å; K404-E408 WeakPolarHBondContact O-CB 3.2Å; K404-E408 PolarHBondContact O-N 2.93Å |
| 405 | I | 49.7 | Very low | 47.5 | Very low | 89 Ų | 89 | 109.2 Ų | 109.2 | 46% | 0.456 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.9 | -42.1 | -178.6 | -58.8 | 169.1 | 0 | 0 | 0 | 110.1 | C402 H403 E408 M409 | C402-I405 PolarHBondContact O-N 3.48Å; C402-I405 VanDerWaalsContact O-N 3.1Å; H403-I405 VanDerWaalsContact C-N 3.35Å; H403-I405 PolarHBondContact O-N 3.25Å; I405-E408 PolarHBondContact O-N 3.13Å; I405-M409 HydrophobicContact CG2-CE 4.23Å; I405-M409 WeakPolarHBondContact O-CG 3.46Å; I405-M409 PolarHBondContact O-N 2.84Å |
| 406 | V | 49 | Very low | 46.5 | Very low | 66 Ų | 66 | 112.9 Ų | 112.9 | 40% | 0.4 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.4 | -43.5 | 176.4 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | C402 H403 E408 M409 S410 | C402-V406 PolarHBondContact O-N 2.99Å; H403-V406 PolarHBondContact O-N 3.01Å; V406-E408 PolarHBondContact O-N 3.29Å; V406-M409 CarbonylContact O-C 3.6Å; V406-M409 PolarHBondContact O-N 3.12Å; V406-S410 VanDerWaalsContact O-CB 3.29Å; V406-S410 WeakPolarHBondContact O-CB 3.46Å; V406-S410 PolarHBondContact O-N 2.73Å; V406-S410 PolarHBondContact O-OG 2.9Å |
| 407 | S | 52.4 | Low | 45.5 | Very low | 75 Ų | 75 | 114.8 Ų | 114.8 | 52% | 0.524 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.6 | -28.2 | 174.6 | -72.7 | 0 | 0 | 0 | 0 | 113.3 | H403 S410 | H403-S407 VanDerWaalsContact O-CB 3.29Å; H403-S407 WeakPolarHBondContact O-CB 3.39Å; H403-S407 PolarHBondContact O-N 2.94Å; H403-S407 PolarHBondContact O-OG 2.88Å; S407-S410 WeakPolarHBondContact CA-OG 3.37Å; S407-S410 PolarHBondContact O-OG 3.33Å |
| 408 | E | 51 | Low | 44.4 | Very low | 130 Ų | 130 | 108.9 Ų | 108.9 | 61% | 0.607 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -77.5 | -35.6 | 175.1 | -164.6 | 166.4 | -152 | 0 | 0 | 112.1 | K404 I405 V406 | K404-E408 VanDerWaalsContact O-CB 3.27Å; K404-E408 WeakPolarHBondContact O-CB 3.2Å; K404-E408 PolarHBondContact O-N 2.93Å; I405-E408 PolarHBondContact O-N 3.13Å; V406-E408 PolarHBondContact O-N 3.29Å |
| 409 | M | 47.7 | Very low | 43.8 | Very low | 143 Ų | 143 | 110.4 Ų | 110.4 | 70% | 0.704 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76.7 | -24.8 | 173.2 | -67.6 | -160.7 | -65.8 | 0 | 0 | 113.7 | I405 V406 K411 | I405-M409 HydrophobicContact CG2-CE 4.23Å; I405-M409 WeakPolarHBondContact O-CG 3.46Å; I405-M409 PolarHBondContact O-N 2.84Å; V406-M409 CarbonylContact O-C 3.6Å; V406-M409 PolarHBondContact O-N 3.12Å; M409-K411 VanDerWaalsContact C-N 3.28Å |
| 410 | S | 46.3 | Very low | 43.4 | Very low | 81 Ų | 81 | 113.2 Ų | 113.2 | 57% | 0.566 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -0.9 | 177.6 | 75.2 | 0 | 0 | 0 | 0 | 113.4 | V406 S407 | V406-S410 VanDerWaalsContact O-CB 3.29Å; V406-S410 WeakPolarHBondContact O-CB 3.46Å; V406-S410 PolarHBondContact O-N 2.73Å; V406-S410 PolarHBondContact O-OG 2.9Å; S407-S410 WeakPolarHBondContact CA-OG 3.37Å; S407-S410 PolarHBondContact O-OG 3.33Å |
| 411 | K | 39.4 | Very low | 42.9 | Very low | 127 Ų | 127 | 110.4 Ų | 110.4 | 55% | 0.552 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -58.8 | 126.8 | 167.2 | -71.4 | 175.1 | -175.8 | 168.9 | 0 | 106.6 | M409 I413 | M409-K411 VanDerWaalsContact C-N 3.28Å; K411-I413 PolarHBondContact O-N 2.93Å |
| 412 | P | 39.9 | Very low | 42.5 | Very low | 110 Ų | 110 | 114.6 Ų | 114.6 | 71% | 0.714 | 64% | 0.641 | S | S | * | * | | | trans | -56.5 | 110.8 | 175.3 | 23.6 | -31.6 | 0 | 0 | 0 | 106.4 | N414 | P412-N414 VanDerWaalsContact C-N 3.28Å; P412-N414 PolarHBondContact O-N 2.62Å |
| 413 | I | 42.1 | Very low | 42.2 | Very low | 142 Ų | 142 | 124 Ų | 124 | 73% | 0.728 | 67% | 0.672 | S | S | * | * | | | trans | -58.6 | 110.8 | 161.2 | -62.5 | 173.8 | 0 | 0 | 0 | 101.8 | K411 V415 | K411-I413 PolarHBondContact O-N 2.93Å; I413-V415 HydrophobicContact CB-CG2 4.19Å; I413-V415 HydrophobicContact CG2-CG2 3.76Å; I413-V415 PolarHBondContact O-N 2.97Å |
| 414 | N | 39.3 | Very low | 42 | Very low | 139 Ų | 139 | 127 Ų | 127 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | | | trans | -62.1 | 79.2 | 166.3 | -77.3 | -20.4 | 0 | 0 | 0 | 105.6 | P412 I416 | P412-N414 VanDerWaalsContact C-N 3.28Å; P412-N414 PolarHBondContact O-N 2.62Å; N414-I416 PolarHBondContact O-N 3.1Å |
| 415 | V | 42.2 | Very low | 41.7 | Very low | 109 Ų | 109 | 123.4 Ų | 123.4 | 66% | 0.661 | 68% | 0.678 | S | S | * | * | | | trans | -67.7 | 85.7 | 162.7 | -174.8 | 0 | 0 | 0 | 0 | 102.2 | I413 C417 | I413-V415 HydrophobicContact CB-CG2 4.19Å; I413-V415 HydrophobicContact CG2-CG2 3.76Å; I413-V415 PolarHBondContact O-N 2.97Å; V415-C417 PolarHBondContact O-N 2.85Å |
| 416 | I | 38.1 | Very low | 40.9 | Very low | 147 Ų | 147 | 126.1 Ų | 126.1 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | | | trans | -56.2 | 98.5 | 159.9 | -62.8 | 170.3 | 0 | 0 | 0 | 102.6 | N414 A418 | N414-I416 PolarHBondContact O-N 3.1Å; I416-A418 PolarHBondContact O-N 3.24Å |
| 417 | C | 35.2 | Very low | 40.4 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 76% | 0.757 | 71% | 0.712 | S | S | * | * | | | trans | -59.5 | 82.2 | 162.1 | -84 | 0 | 0 | 0 | 0 | 105.3 | V415 P419 | V415-C417 PolarHBondContact O-N 2.85Å; C417-P419 WeakPolarHBondContact O-CD 3.04Å; C417-P419 VanDerWaalsContact O-N 3.15Å |
| 418 | A | 33.4 | Very low | 39.6 | Very low | 73 Ų | 73 | 134.3 Ų | 134.3 | 60% | 0.603 | 72% | 0.722 | S | S | * | * | | | trans | -57.2 | 120.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 104 | I416 A420 | I416-A418 PolarHBondContact O-N 3.24Å; A418-A420 PolarHBondContact O-N 3.31Å |
| 419 | P | 34 | Very low | 38.9 | Very low | 121 Ų | 121 | 134 Ų | 134 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | | | trans | -50.2 | 122.1 | 177.2 | -21.4 | 29.8 | 0 | 0 | 0 | 106.2 | C417 A421 | C417-P419 WeakPolarHBondContact O-CD 3.04Å; C417-P419 VanDerWaalsContact O-N 3.15Å; P419-A421 PolarHBondContact O-N 3.45Å |
| 420 | A | 40.2 | Very low | 38.4 | Very low | 94 Ų | 94 | 134.5 Ų | 134.5 | 78% | 0.777 | 74% | 0.735 | S | S | * | * | | | trans | -55.8 | 98.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | A418 R422 | A418-A420 PolarHBondContact O-N 3.31Å; A420-R422 VanDerWaalsContact C-N 3.29Å; A420-R422 PolarHBondContact O-N 3.48Å |
| 421 | A | 38 | Very low | 37.9 | Very low | 85 Ų | 85 | 135.7 Ų | 135.7 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | | | trans | -57 | 105.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 103.7 | P419 R423 | P419-A421 PolarHBondContact O-N 3.45Å; A421-R423 PolarHBondContact O-N 3.38Å |
| 422 | R | 39.3 | Very low | 37.7 | Very low | 244 Ų | 244 | 135.5 Ų | 135.5 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | | | trans | -53.6 | 82.9 | 178.4 | -85.5 | 177.9 | 160.7 | -171.1 | -4.7 | 108 | A420 K424 | A420-R422 VanDerWaalsContact C-N 3.29Å; A420-R422 PolarHBondContact O-N 3.48Å; R422-K424 VanDerWaalsContact C-N 3.29Å; R422-K424 PolarHBondContact O-N 3.24Å |
| 423 | R | 40 | Very low | 37.4 | Very low | 230 Ų | 230 | 135.2 Ų | 135.2 | 87% | 0.868 | 75% | 0.753 | S | S | * | * | | | trans | -70.9 | 101.5 | 159.1 | -71.6 | -168.6 | 176.6 | 179.8 | 0.4 | 103.1 | A421 S425 | A421-R423 PolarHBondContact O-N 3.38Å; R423-S425 PolarHBondContact O-N 3.5Å |
| 424 | K | 38.2 | Very low | 37 | Very low | 188 Ų | 188 | 135.3 Ų | 135.3 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | | | trans | -55.6 | 86.3 | 160.3 | -71.3 | 179.1 | 176.6 | -178.2 | 0 | 106.2 | R422 N426 | R422-K424 VanDerWaalsContact C-N 3.29Å; R422-K424 PolarHBondContact O-N 3.24Å; K424-N426 PolarHBondContact O-N 3.4Å |
| 425 | S | 40.3 | Very low | 36.7 | Very low | 86 Ų | 86 | 133.9 Ų | 133.9 | 60% | 0.601 | 76% | 0.761 | S | S | * | * | | | trans | -75.3 | 90.5 | 168.1 | 57.6 | 0 | 0 | 0 | 0 | 105.6 | R423 Y427 | R423-S425 PolarHBondContact O-N 3.5Å; S425-Y427 PolarHBondContact O-N 3.45Å |
| 426 | N | 33.8 | Very low | 36.2 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | | | trans | -67.4 | 77.4 | 159.6 | -69.6 | -16.3 | 0 | 0 | 0 | 106.9 | K424 | K424-N426 PolarHBondContact O-N 3.4Š|
| 427 | Y | 36.8 | Very low | 35.7 | Very low | 196 Ų | 196 | 139.8 Ų | 139.8 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -99.7 | 121.1 | 154.5 | -77.1 | -72 | 0 | 0 | 0 | 105.9 | S425 T429 | S425-Y427 PolarHBondContact O-N 3.45Å; Y427-T429 PolarHBondContact O-N 3.41Å |
| 428 | P | 35.3 | Very low | 35.4 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | trans | -61.1 | 108.3 | 171 | 24.6 | -29.8 | 0 | 0 | 0 | 107.2 | L430 | P428-L430 VanDerWaalsContact C-N 3.33Å; P428-L430 PolarHBondContact O-N 3.43Å |
| 429 | T | 36.9 | Very low | 35.3 | Very low | 125 Ų | 125 | 149.1 Ų | 149.1 | 77% | 0.767 | 79% | 0.787 | S | S | * | * | | | trans | -61.3 | 101.1 | 162.7 | 30.7 | 0 | 0 | 0 | 0 | 106.5 | Y427 S431 | Y427-T429 PolarHBondContact O-N 3.41Å; T429-S431 PolarHBondContact O-N 3.41Å |
| 430 | L | 37.1 | Very low | 35.1 | Very low | 153 Ų | 153 | 151.1 Ų | 151.1 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | | | trans | -67.7 | 92.7 | 164.8 | -139.2 | 88.2 | 0 | 0 | 0 | 106.1 | P428 T432 | P428-L430 VanDerWaalsContact C-N 3.33Å; P428-L430 PolarHBondContact O-N 3.43Å; L430-T432 VanDerWaalsContact C-N 3.28Å; L430-T432 PolarHBondContact O-N 3.46Å; L430-T432 PolarHBondContact O-OG1 3.21Å |
| 431 | S | 35.6 | Very low | 34.8 | Very low | 105 Ų | 105 | 156.2 Ų | 156.2 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | trans | -62.7 | 90.4 | 171.8 | -46.5 | 0 | 0 | 0 | 0 | 107.8 | T429 S433 | T429-S431 PolarHBondContact O-N 3.41Å; S431-S433 PolarHBondContact O-N 3.37Å; S431-S433 VanDerWaalsContact O-N 3.1Å |
| 432 | T | 36.7 | Very low | 34.6 | Very low | 124 Ų | 124 | 158 Ų | 158 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | | | trans | -81.9 | 87.7 | 166.3 | -16.8 | 0 | 0 | 0 | 0 | 105.7 | L430 T434 | L430-T432 VanDerWaalsContact C-N 3.28Å; L430-T432 PolarHBondContact O-N 3.46Å; L430-T432 PolarHBondContact O-OG1 3.21Å; T432-T434 PolarHBondContact O-N 3.39Å |
| 433 | S | 33.8 | Very low | 34.2 | Very low | 103 Ų | 103 | 152.1 Ų | 152.1 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | | | trans | -54.5 | 120.8 | 163.8 | 39.5 | 0 | 0 | 0 | 0 | 107.7 | S431 S435 | S431-S433 PolarHBondContact O-N 3.37Å; S431-S433 VanDerWaalsContact O-N 3.1Å; S433-S435 VanDerWaalsContact C-N 3.34Å; S433-S435 PolarHBondContact O-N 3.26Å |
| 434 | T | 32.2 | Very low | 33.7 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | trans | -60.2 | 93.6 | 169.1 | 43.2 | 0 | 0 | 0 | 0 | 108.6 | T432 | T432-T434 PolarHBondContact O-N 3.39Š|
| 435 | S | 34.2 | Very low | 33.3 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | trans | -97.2 | 141.8 | 160.5 | 88.4 | 0 | 0 | 0 | 0 | 109 | S433 | S433-S435 VanDerWaalsContact C-N 3.34Å; S433-S435 PolarHBondContact O-N 3.26Å |
| 436 | N | 30 | Very low | 33 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | | | trans | -61 | 137.4 | -160.2 | -72.6 | -50.8 | 0 | 0 | 0 | 113.9 | Y438 | N436-Y438 PolarHBondContact O-N 3.05Š|
| 437 | Y | 29.1 | Very low | 32.9 | Very low | 224 Ų | 224 | 145 Ų | 145 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | | | trans | -70.4 | 81.6 | 178.6 | -146.9 | -93.5 | 0 | 0 | 0 | 110.6 | | |
| 438 | Y | 28.7 | Very low | 33.1 | Very low | 212 Ų | 212 | 142 Ų | 142 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | | | trans | -147 | 93.2 | 160 | -90.4 | -84.1 | 0 | 0 | 0 | 108 | N436 | N436-Y438 PolarHBondContact O-N 3.05Š|
| 439 | H | 31.9 | Very low | 33.3 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | | | trans | -165 | 132.8 | 136.9 | -106.8 | -71.2 | 0 | 0 | 0 | 111.3 | F441 | H439-F441 PolarHBondContact O-N 3.29Š|
| 440 | Q | 28.5 | Very low | 33.3 | Very low | 164 Ų | 164 | 143.1 Ų | 143.1 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | trans | -41.1 | 118.9 | 174.4 | -72.7 | 150.3 | -47.5 | 0 | 0 | 112.8 | T442 | Q440-T442 PolarHBondContact O-N 3.18Š|
| 441 | F | 34.9 | Very low | 33.4 | Very low | 201 Ų | 201 | 142.5 Ų | 142.5 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | | | trans | -80.5 | 96.1 | 156.6 | -75.2 | -77.8 | 0 | 0 | 0 | 108.2 | H439 S443 | H439-F441 PolarHBondContact O-N 3.29Å; F441-S443 PolarHBondContact O-N 3.49Å |
| 442 | T | 33.9 | Very low | 33.6 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | -62 | 114 | 159.4 | 37.9 | 0 | 0 | 0 | 0 | 108.6 | Q440 S444 | Q440-T442 PolarHBondContact O-N 3.18Å; T442-S444 PolarHBondContact O-N 3.09Å |
| 443 | S | 30.6 | Very low | 33.9 | Very low | 120 Ų | 120 | 147 Ų | 147 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | | | trans | -70.5 | 106.6 | 171.9 | 50.5 | 0 | 0 | 0 | 0 | 109.9 | F441 | F441-S443 PolarHBondContact O-N 3.49Š|
| 444 | S | 30.2 | Very low | 34.1 | Very low | 100 Ų | 100 | 150.6 Ų | 150.6 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | trans | -155.4 | 117.8 | 159 | 12.9 | 0 | 0 | 0 | 0 | 112.3 | T442 | T442-S444 PolarHBondContact O-N 3.09Š|
| 445 | N | 29.4 | Very low | 34.7 | Very low | 142 Ų | 142 | 149.1 Ų | 149.1 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | trans | 95.5 | 119 | 139.5 | -96.4 | -15.9 | 0 | 0 | 0 | 122.6 | | |
| 446 | I | 34 | Very low | 35.1 | Very low | 122 Ų | 122 | 152.9 Ų | 152.9 | 63% | 0.626 | 77% | 0.771 | S | S | * | * | | | trans | 77.8 | 100.8 | 137.1 | -56.1 | 158 | 0 | 0 | 0 | 114.6 | | |
| 447 | N | 31.6 | Very low | 35.3 | Very low | 138 Ų | 138 | 155.6 Ų | 155.6 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | | | | 51.3 | 69 | 65.4 | -158.8 | 35.4 | 0 | 0 | 0 | 114.2 | | |
| 448 | D | 40.2 | Very low | 35.7 | Very low | 134 Ų | 134 | 152.7 Ų | 152.7 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | | | trans | -155.8 | 119.2 | 149.3 | -88.1 | -39.9 | 0 | 0 | 0 | 108.9 | | |
| 449 | N | 39.1 | Very low | 36.2 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 141.1 | -1.9 | 158.7 | -71.4 | -29.4 | 0 | 0 | 0 | 115.9 | | |
| 450 | T | 37.9 | Very low | 36.5 | Very low | 118 Ų | 118 | 147.6 Ų | 147.6 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -85.3 | -6.4 | 178.3 | -36.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 451 | I | 39.9 | Very low | 36.8 | Very low | 141 Ų | 141 | 149.8 Ų | 149.8 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -81.7 | -21.7 | -176.5 | -62 | 178.6 | 0 | 0 | 0 | 113.4 | L453 | I451-L453 PolarHBondContact O-N 3.45Š|
| 452 | Q | 39.9 | Very low | 36.6 | Very low | 176 Ų | 176 | 149.7 Ų | 149.7 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -15.4 | -176.1 | -71.9 | -155.5 | 25.2 | 0 | 0 | 116.2 | | |
| 453 | L | 42.6 | Very low | 36.6 | Very low | 146 Ų | 146 | 151.5 Ų | 151.5 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -16.6 | -175.3 | -80.3 | 160.3 | 0 | 0 | 0 | 114.5 | I451 | I451-L453 PolarHBondContact O-N 3.45Š|
| 454 | K | 37.7 | Very low | 36.6 | Very low | 180 Ų | 180 | 157.2 Ų | 157.2 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -86.1 | -18.4 | -177.5 | -88.8 | -176.5 | 175.2 | -179.8 | 0 | 114.8 | | |
| 455 | T | 45.1 | Very low | 36.7 | Very low | 112 Ų | 112 | 159.1 Ų | 159.1 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -15.4 | -176.4 | -23.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 456 | K | 40.9 | Very low | 36.7 | Very low | 188 Ų | 188 | 161.6 Ų | 161.6 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -11.5 | -174.7 | -130.1 | 173.2 | -173.4 | 173.9 | 0 | 115.3 | | |
| 457 | Y | 34.5 | Very low | 36.5 | Very low | 214 Ų | 214 | 160.9 Ų | 160.9 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -107.5 | -3 | -174.2 | -86.6 | -81.5 | 0 | 0 | 0 | 115.8 | | |
| 458 | L | 37.5 | Very low | 36.2 | Very low | 162 Ų | 162 | 161.8 Ų | 161.8 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -96.2 | -2.5 | 178.2 | -94 | 156.8 | 0 | 0 | 0 | 114.7 | F460 | L458-F460 PolarHBondContact O-N 3.16Š|
| 459 | A | 40 | Very low | 35.7 | Very low | 81 Ų | 81 | 162.5 Ų | 162.5 | 67% | 0.669 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -88.7 | 6.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 460 | F | 37.4 | Very low | 35.2 | Very low | 194 Ų | 194 | 163.1 Ų | 163.1 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -139.4 | 79.7 | 178.7 | -92.2 | -88 | 0 | 0 | 0 | 111 | L458 | L458-F460 PolarHBondContact O-N 3.16Š|
| 461 | K | 34.4 | Very low | 34.9 | Very low | 210 Ų | 210 | 165.3 Ų | 165.3 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 160.5 | 74.3 | 148.9 | -90.7 | 171.5 | 178.8 | -170.5 | 0 | 110.8 | | |
| 462 | K | 32.3 | Very low | 34.2 | Very low | 199 Ų | 199 | 164.6 Ų | 164.6 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | | | trans | -157.8 | 44.4 | 157.2 | -143.2 | -179.7 | -178 | -175.4 | 0 | 113.9 | | |
| 463 | D | 32.6 | Very low | 33.8 | Very low | 160 Ų | 160 | 163 Ų | 163 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | | | trans | -137 | 85.2 | 165.5 | -78.8 | -42.3 | 0 | 0 | 0 | 109.1 | | |
| 464 | R | 31.3 | Very low | 33.2 | Very low | 239 Ų | 239 | 164 Ų | 164 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | S | Bend | trans | 176.9 | 133.9 | 154 | -100.2 | 158.5 | -176.4 | -169.4 | 0.9 | 108 | | |
| 465 | T | 32 | Very low | 32.6 | Very low | 140 Ų | 140 | 163.5 Ų | 163.5 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | | | trans | 87.2 | 63 | 174.9 | 80.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 466 | H | 30.3 | Very low | 32 | Very low | 194 Ų | 194 | 166 Ų | 166 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | | | trans | -113.2 | 99.7 | 140.7 | -86.4 | -54.3 | 0 | 0 | 0 | 108.3 | | |
| 467 | S | 29.5 | Very low | 31.2 | Very low | 107 Ų | 107 | 162.4 Ų | 162.4 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | | | trans | 168.7 | 102.1 | 150.1 | 37.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 468 | N | 25.6 | Very low | 30.9 | Very low | 157 Ų | 157 | 161.6 Ų | 161.6 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | | | trans | 154.5 | 83.2 | 149.7 | -83.5 | -11.9 | 0 | 0 | 0 | 108.9 | | |
| 469 | N | 28.8 | Very low | 30.8 | Very low | 149 Ų | 149 | 164.7 Ų | 164.7 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | | | trans | -137.8 | 105.5 | 150.2 | -86.6 | -21.6 | 0 | 0 | 0 | 104.6 | | |
| 470 | H | 28.9 | Very low | 30.4 | Very low | 158 Ų | 158 | 168.9 Ų | 168.9 | 73% | 0.731 | 83% | 0.831 | S | S | * | * | | | | 65.2 | 100.6 | 105 | -80.6 | -73.7 | 0 | 0 | 0 | 113.4 | | |
| 471 | H | 31.6 | Very low | 30 | Very low | 164 Ų | 164 | 167.6 Ų | 167.6 | 76% | 0.759 | 83% | 0.83 | S | S | * | * | | | | -177.7 | 124.1 | 101 | -97 | -53 | 0 | 0 | 0 | 111.6 | | |
| 472 | S | 25.8 | Very low | 29.8 | Very low | 126 Ų | 126 | 165.2 Ų | 165.2 | 88% | 0.881 | 83% | 0.826 | S | S | * | * | | | trans | -93.5 | 109.1 | 160.7 | -175.3 | 0 | 0 | 0 | 0 | 106.8 | | |
| 473 | I | 30.1 | Very low | 29.6 | Very low | 142 Ų | 142 | 163.2 Ų | 163.2 | 73% | 0.728 | 82% | 0.823 | S | S | * | * | | | trans | -163.2 | 133.8 | 168.5 | -54.6 | -177.3 | 0 | 0 | 0 | 104.3 | | |
| 474 | H | 29.8 | Very low | 29.4 | Very low | 167 Ų | 167 | 163.4 Ų | 163.4 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | | | cis | -165.7 | 144 | -17.5 | -173.1 | -85.3 | 0 | 0 | 0 | 102.1 | H476 | H474-H476 PolarHBondContact O-N 3.36Š|
| 475 | H | 27.1 | Very low | 29.3 | Very low | 170 Ų | 170 | 158.4 Ų | 158.4 | 79% | 0.787 | 82% | 0.816 | S | S | * | * | | | trans | -54.9 | 131.7 | 170.7 | -92 | -97 | 0 | 0 | 0 | 109.9 | | |
| 476 | H | 30.7 | Very low | 29.1 | Very low | 165 Ų | 165 | 159.7 Ų | 159.7 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | | | trans | -142.1 | 114.9 | 149.2 | -130 | -68.3 | 0 | 0 | 0 | 109.2 | H474 | H474-H476 PolarHBondContact O-N 3.36Š|
| 477 | V | 24.1 | Very low | 29 | Very low | 113 Ų | 113 | 157.1 Ų | 157.1 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | | | trans | -78.6 | 150.4 | 163.6 | 170.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 478 | Y | 29.8 | Very low | 29 | Very low | 196 Ų | 196 | 161.3 Ų | 161.3 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | | | trans | 138.5 | 113.8 | 167.8 | -78.5 | -65 | 0 | 0 | 0 | 105.6 | | |
| 479 | D | 35.5 | Very low | 29.3 | Very low | 228 Ų | 228 | 161.6 Ų | 161.6 | 100% | 1.219 | 81% | 0.809 | S | S | * | * | | | cis | -138.5 | 0 | 13.2 | -80.7 | -48.9 | 0 | 0 | 0 | 110.5 | | |