| 1 | M | 38.9 | Very low | 36.2 | Very low | 224 Ų | 224 | 160.9 Ų | 160.9 | 100% | 1.103 | 82% | 0.818 | S | S | * | * | | | | 0 | 62.3 | 0 | -61.4 | -169.6 | 179.8 | 0 | 0 | 108.5 | | |
| 2 | D | 36.2 | Very low | 35.6 | Very low | 133 Ų | 133 | 163.9 Ų | 163.9 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | | | | 95 | 130.2 | 63.6 | -76.6 | -58.4 | 0 | 0 | 0 | 109.6 | | |
| 3 | N | 36.2 | Very low | 35.2 | Very low | 119 Ų | 119 | 170.2 Ų | 170.2 | 64% | 0.636 | 83% | 0.83 | S | S | * | * | | | cis | -164.8 | -174.8 | -11 | -147.7 | -50.5 | 0 | 0 | 0 | 107.9 | | |
| 4 | T | 39.7 | Very low | 35.1 | Very low | 113 Ų | 113 | 170.7 Ų | 170.7 | 69% | 0.693 | 83% | 0.829 | S | S | * | * | | | trans | 84.3 | 108.3 | 172.8 | 74.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 5 | K | 37.9 | Very low | 34.6 | Very low | 177 Ų | 177 | 169.9 Ų | 169.9 | 77% | 0.77 | 83% | 0.829 | S | S | * | * | | | | 72.4 | 133.2 | 68.6 | -67.2 | 169.4 | -177.6 | 178.8 | 0 | 111.3 | | |
| 6 | T | 38.8 | Very low | 34.8 | Very low | 128 Ų | 128 | 168.8 Ų | 168.8 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | | | cis | -165 | 141.6 | 3.8 | 10.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 7 | S | 31 | Very low | 34.6 | Very low | 118 Ų | 118 | 168.8 Ų | 168.8 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | | | trans | -95.9 | 134.6 | 167.7 | 58.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 8 | P | 37.1 | Very low | 34.5 | Very low | 115 Ų | 115 | 164.9 Ų | 164.9 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | | | trans | -122.3 | 115.2 | 160.1 | 33 | -19.4 | 0 | 0 | 0 | 113.6 | | |
| 9 | Q | 35.9 | Very low | 34.4 | Very low | 192 Ų | 192 | 165.5 Ų | 165.5 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | | | trans | 44.2 | 125.6 | 136.7 | -59.8 | -166.8 | -3.5 | 0 | 0 | 122.6 | | |
| 10 | R | 31 | Very low | 34.4 | Very low | 237 Ų | 237 | 165.1 Ų | 165.1 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | | | trans | -32.8 | 132.3 | 152.4 | -60.6 | 167.2 | 172.5 | 164.4 | -4 | 114.6 | | |
| 11 | K | 35.4 | Very low | 34.5 | Very low | 214 Ų | 214 | 163.8 Ų | 163.8 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | | | trans | -136.5 | 123.1 | 138.3 | -93.2 | -175.6 | 178.3 | 176.3 | 0 | 110 | | |
| 12 | F | 29.4 | Very low | 34.1 | Very low | 197 Ų | 197 | 159.8 Ų | 159.8 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | | | trans | -89.6 | 166.7 | 171.6 | -111 | -98.7 | 0 | 0 | 0 | 110.2 | | |
| 13 | R | 30.5 | Very low | 33.9 | Very low | 246 Ų | 246 | 161.1 Ų | 161.1 | 93% | 0.928 | 78% | 0.784 | S | S | * | * | | | trans | 76.8 | 117.9 | -178.6 | -50.7 | 179.7 | 174.1 | -149.2 | -2.7 | 112.2 | | |
| 14 | Q | 33.1 | Very low | 33.7 | Very low | 177 Ų | 177 | 160.9 Ų | 160.9 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | | -150.5 | 141.3 | 60.3 | -149.9 | 165.4 | 0.4 | 0 | 0 | 112.1 | | |
| 15 | I | 28.9 | Very low | 33.4 | Very low | 159 Ų | 159 | 161.3 Ų | 161.3 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | | | trans | -81.4 | 125.7 | 171.8 | -63.4 | 166.8 | 0 | 0 | 0 | 107.3 | | |
| 16 | I | 36.3 | Very low | 33.3 | Very low | 152 Ų | 152 | 157.5 Ų | 157.5 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | trans | -117.6 | 110.6 | 169.9 | -60.2 | 178.9 | 0 | 0 | 0 | 107.2 | | |
| 17 | Q | 32.6 | Very low | 33 | Very low | 169 Ų | 169 | 157 Ų | 157 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -80.2 | 170.6 | 172.4 | -105.5 | -168.4 | 8.8 | 0 | 0 | 110.8 | | |
| 18 | P | 32.6 | Very low | 33.1 | Very low | 99 Ų | 99 | 160.3 Ų | 160.3 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | | | trans | -84.1 | 167.2 | -140.4 | 34.8 | -38.7 | 0 | 0 | 0 | 114.7 | | |
| 19 | H | 33.2 | Very low | 32.8 | Very low | 176 Ų | 176 | 157.8 Ų | 157.8 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | | | trans | -110.2 | 99.9 | 159.9 | -136.8 | 44.6 | 0 | 0 | 0 | 109.9 | H21 | H19-H21 PolarHBondContact O-N 3.46Å; H19-H21 VanDerWaalsContact O-N 3.07Å |
| 20 | E | 33.3 | Very low | 32.6 | Very low | 156 Ų | 156 | 157.4 Ų | 157.4 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | | | trans | -70.9 | 95.1 | 173.2 | -65.3 | -170 | 157 | 0 | 0 | 109.9 | N22 | E20-N22 PolarHBondContact O-N 3.49Š|
| 21 | H | 36.3 | Very low | 32.8 | Very low | 138 Ų | 138 | 152.8 Ų | 152.8 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | | | trans | -78.4 | 89.6 | 173 | -125.5 | -62.8 | 0 | 0 | 0 | 110.2 | H19 F23 | H19-H21 PolarHBondContact O-N 3.46Å; H19-H21 VanDerWaalsContact O-N 3.07Å; H21-F23 VanDerWaalsContact C-N 3.33Å; H21-F23 HydrophobicContact CB-CD2 4.11Å; H21-F23 HydrophobicContact CB-CE2 3.93Å; H21-F23 AromaticContact CG-CE2 3.73Å; H21-F23 AromaticContact ND1-CE2 3.38Å; H21-F23 WeakPolarHBondContact ND1-CE2 3.36Å; H21-F23 AromaticContact ND1-CZ 3.82Å; H21-F23 PolarHBondContact O-N 3.5Å |
| 22 | N | 31 | Very low | 32.6 | Very low | 141 Ų | 141 | 150.8 Ų | 150.8 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | | | trans | -60.6 | 87.9 | 171.2 | -80.7 | -59.3 | 0 | 0 | 0 | 111.1 | E20 S24 | E20-N22 PolarHBondContact O-N 3.49Å; N22-S24 PolarHBondContact O-N 3.49Å |
| 23 | F | 33 | Very low | 32.8 | Very low | 161 Ų | 161 | 151.5 Ų | 151.5 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | | | trans | -87.1 | 92.3 | 165.5 | -80.9 | -78.7 | 0 | 0 | 0 | 109.6 | H21 V25 | H21-F23 VanDerWaalsContact C-N 3.33Å; H21-F23 HydrophobicContact CB-CD2 4.11Å; H21-F23 HydrophobicContact CB-CE2 3.93Å; H21-F23 AromaticContact CG-CE2 3.73Å; H21-F23 AromaticContact ND1-CE2 3.38Å; H21-F23 WeakPolarHBondContact ND1-CE2 3.36Å; H21-F23 AromaticContact ND1-CZ 3.82Å; H21-F23 PolarHBondContact O-N 3.5Å; F23-V25 PolarHBondContact O-N 3.14Å; F23-V25 VanDerWaalsContact O-N 3.15Å |
| 24 | S | 31.6 | Very low | 33 | Very low | 113 Ų | 113 | 147.5 Ų | 147.5 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | | | trans | -58.9 | 112.5 | 167.1 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | N22 | N22-S24 PolarHBondContact O-N 3.49Š|
| 25 | V | 31.7 | Very low | 33 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 75% | 0.745 | 75% | 0.752 | S | S | * | * | | | trans | -98.1 | 115.6 | 169.1 | -179.2 | 0 | 0 | 0 | 0 | 107 | F23 S27 | F23-V25 PolarHBondContact O-N 3.14Å; F23-V25 VanDerWaalsContact O-N 3.15Å; V25-S27 PolarHBondContact O-N 2.81Å |
| 26 | P | 36.2 | Very low | 33.1 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 62% | 0.623 | 76% | 0.757 | S | S | * | * | | | trans | -65.9 | 102.4 | 178.2 | -21 | 33.5 | 0 | 0 | 0 | 111 | F28 | P26-F28 HydrophobicContact CB-CD2 3.9Å; P26-F28 HydrophobicContact CB-CE2 3.69Å; P26-F28 PolarHBondContact O-N 3.23Å |
| 27 | S | 32.9 | Very low | 33.2 | Very low | 117 Ų | 117 | 148.3 Ų | 148.3 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -79.1 | 95.1 | 167.1 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | V25 G29 | V25-S27 PolarHBondContact O-N 2.81Å; S27-G29 PolarHBondContact O-N 3.4Å |
| 28 | F | 32.2 | Very low | 33.2 | Very low | 188 Ų | 188 | 146.5 Ų | 146.5 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | | | trans | -81.6 | 90.7 | 168.1 | -79.9 | -85.6 | 0 | 0 | 0 | 109.3 | P26 | P26-F28 HydrophobicContact CB-CD2 3.9Å; P26-F28 HydrophobicContact CB-CE2 3.69Å; P26-F28 PolarHBondContact O-N 3.23Å |
| 29 | G | 32.6 | Very low | 33.3 | Very low | 63 Ų | 63 | 148.9 Ų | 148.9 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | | | trans | -135.8 | 81.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | S27 D31 | S27-G29 PolarHBondContact O-N 3.4Å; G29-D31 PolarHBondContact O-N 3.06Å |
| 30 | Y | 30.8 | Very low | 33.4 | Very low | 184 Ų | 184 | 148.3 Ų | 148.3 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | | | trans | -86.3 | 95.1 | 177.1 | -110.2 | -83.2 | 0 | 0 | 0 | 109.8 | F32 | Y30-F32 HydrophobicContact CD1-CD1 4.41Å; Y30-F32 AromaticContact CD1-CD2 4Å; Y30-F32 HydrophobicContact CD1-CD2 4Å; Y30-F32 AromaticContact CD1-CE1 3.88Å; Y30-F32 HydrophobicContact CD1-CE1 3.88Å; Y30-F32 AromaticContact CD1-CE2 3.41Å; Y30-F32 HydrophobicContact CD1-CE2 3.41Å; Y30-F32 VanDerWaalsContact CD1-CE2 3.41Å; Y30-F32 HydrophobicContact CD1-CG 4.47Å; Y30-F32 AromaticContact CD1-CZ 3.34Å; Y30-F32 HydrophobicContact CD1-CZ 3.34Å; Y30-F32 HydrophobicContact CE1-CE1 4.04Å; Y30-F32 HydrophobicContact CE1-CE2 4.24Å; Y30-F32 AromaticContact CE1-CZ 3.7Å; Y30-F32 HydrophobicContact CE1-CZ 3.7Å; Y30-F32 HydrophobicContact CG-CD2 4.49Å; Y30-F32 AromaticContact CG-CE2 3.85Å; Y30-F32 HydrophobicContact CG-CE2 3.85Å; Y30-F32 HydrophobicContact CG-CZ 4.14Å |
| 31 | D | 35.1 | Very low | 33.8 | Very low | 140 Ų | 140 | 150 Ų | 150 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | | | trans | -90.9 | 100 | 170.4 | -161.4 | -10.7 | 0 | 0 | 0 | 109.4 | G29 R33 | G29-D31 PolarHBondContact O-N 3.06Å; D31-R33 VanDerWaalsContact C-N 3.3Å; D31-R33 PolarHBondContact O-N 3Å |
| 32 | F | 31.3 | Very low | 33.7 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | trans | -82.2 | 65.7 | -175 | -82 | -81.5 | 0 | 0 | 0 | 112.1 | Y30 | Y30-F32 HydrophobicContact CD1-CD1 4.41Å; Y30-F32 AromaticContact CD1-CD2 4Å; Y30-F32 HydrophobicContact CD1-CD2 4Å; Y30-F32 AromaticContact CD1-CE1 3.88Å; Y30-F32 HydrophobicContact CD1-CE1 3.88Å; Y30-F32 AromaticContact CD1-CE2 3.41Å; Y30-F32 HydrophobicContact CD1-CE2 3.41Å; Y30-F32 VanDerWaalsContact CD1-CE2 3.41Å; Y30-F32 HydrophobicContact CD1-CG 4.47Å; Y30-F32 AromaticContact CD1-CZ 3.34Å; Y30-F32 HydrophobicContact CD1-CZ 3.34Å; Y30-F32 HydrophobicContact CE1-CE1 4.04Å; Y30-F32 HydrophobicContact CE1-CE2 4.24Å; Y30-F32 AromaticContact CE1-CZ 3.7Å; Y30-F32 HydrophobicContact CE1-CZ 3.7Å; Y30-F32 HydrophobicContact CG-CD2 4.49Å; Y30-F32 AromaticContact CG-CE2 3.85Å; Y30-F32 HydrophobicContact CG-CE2 3.85Å; Y30-F32 HydrophobicContact CG-CZ 4.14Å |
| 33 | R | 34.4 | Very low | 33.9 | Very low | 211 Ų | 211 | 149.6 Ų | 149.6 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | | | trans | -134.1 | 104.7 | 173.2 | -65.1 | -169.9 | 118.7 | 178.8 | 3.2 | 113.8 | D31 | D31-R33 VanDerWaalsContact C-N 3.3Å; D31-R33 PolarHBondContact O-N 3Å |
| 34 | N | 33.2 | Very low | 34.1 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | | | trans | 48.6 | 102.8 | 148.9 | -63.9 | -20.3 | 0 | 0 | 0 | 119.8 | | |
| 35 | A | 33.8 | Very low | 34.2 | Very low | 94 Ų | 94 | 152.2 Ų | 152.2 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | | | | -163.5 | 88.7 | 126.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K37 | A35-K37 PolarHBondContact O-N 3.11Å; A35-K37 VanDerWaalsContact O-N 3.1Å |
| 36 | F | 30.6 | Very low | 34.2 | Very low | 213 Ų | 213 | 154 Ų | 154 | 93% | 0.934 | 79% | 0.785 | S | S | * | * | | | trans | -67.1 | 102.6 | 152.7 | -93 | -93.9 | 0 | 0 | 0 | 108.3 | | |
| 37 | K | 38.1 | Very low | 34.2 | Very low | 198 Ų | 198 | 158.3 Ų | 158.3 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | | | trans | -133.8 | 99.8 | 158.1 | -79.9 | -167.6 | 175.8 | 179.3 | 0 | 109.6 | A35 | A35-K37 PolarHBondContact O-N 3.11Å; A35-K37 VanDerWaalsContact O-N 3.1Å |
| 38 | T | 33.9 | Very low | 34.1 | Very low | 131 Ų | 131 | 157.5 Ų | 157.5 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -60.8 | 139.9 | 164.6 | 40.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 39 | N | 34 | Very low | 34.4 | Very low | 149 Ų | 149 | 153.9 Ų | 153.9 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | -145.4 | 90.8 | 156.5 | -162.4 | -9.1 | 0 | 0 | 0 | 108.2 | K41 | N39-K41 PolarHBondContact O-N 3.09Š|
| 40 | E | 36.2 | Very low | 34.4 | Very low | 165 Ų | 165 | 155.9 Ų | 155.9 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | | | trans | -73.7 | 120.3 | 173.2 | -65.2 | -178.9 | 131.9 | 0 | 0 | 109.6 | | |
| 41 | K | 40.2 | Very low | 34.6 | Very low | 191 Ų | 191 | 154.3 Ų | 154.3 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | | | trans | -132.6 | 93.8 | 149.2 | -77.4 | -163 | 174.7 | -175.9 | 0 | 109.5 | N39 | N39-K41 PolarHBondContact O-N 3.09Š|
| 42 | N | 35.7 | Very low | 34.5 | Very low | 127 Ų | 127 | 152.4 Ų | 152.4 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | | | trans | -60.3 | 144.4 | 164.1 | -81.2 | -50.6 | 0 | 0 | 0 | 110.2 | | |
| 43 | T | 35.1 | Very low | 34.6 | Very low | 144 Ų | 144 | 150.5 Ų | 150.5 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | -139.8 | 108.7 | 150.1 | -55 | 0 | 0 | 0 | 0 | 106.8 | | |
| 44 | I | 36.9 | Very low | 34.8 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 68% | 0.677 | 79% | 0.79 | S | S | * | * | | | trans | -99.8 | 139 | -177.4 | -64.6 | 170.2 | 0 | 0 | 0 | 108.4 | Q46 | I44-Q46 HydrophobicContact CG2-CB 4.29Š|
| 45 | Q | 33.6 | Very low | 34.8 | Very low | 196 Ų | 196 | 146 Ų | 146 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | | | trans | -142.1 | 85.8 | 164.8 | -165.7 | 178.3 | 84 | 0 | 0 | 104.2 | | |
| 46 | Q | 31.8 | Very low | 35 | Very low | 162 Ų | 162 | 150 Ų | 150 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | | | | 66.2 | 99.9 | 63.4 | -154.5 | -170.4 | 62.6 | 0 | 0 | 113.5 | I44 | I44-Q46 HydrophobicContact CG2-CB 4.29Š|
| 47 | Q | 35 | Very low | 35.3 | Very low | 185 Ų | 185 | 147.5 Ų | 147.5 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | -170 | 86.8 | 152.6 | -103.7 | 171.8 | 13 | 0 | 0 | 106.6 | | |
| 48 | S | 32.2 | Very low | 35.3 | Very low | 101 Ų | 101 | 147.7 Ų | 147.7 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | | 81.6 | 153.4 | 71.9 | 82.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 49 | P | 38.6 | Very low | 35.3 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | | | | -148.6 | -167.8 | -107.7 | 39.3 | -14.9 | 0 | 0 | 0 | 117.3 | | |
| 50 | T | 31.8 | Very low | 35.3 | Very low | 106 Ų | 106 | 149.6 Ų | 149.6 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | | | trans | 70.2 | 134.6 | 147.7 | -40.4 | 0 | 0 | 0 | 0 | 122.8 | T52 | T50-T52 HydrophobicContact CG2-CG2 4.18Š|
| 51 | D | 34.8 | Very low | 35.2 | Very low | 150 Ų | 150 | 151.1 Ų | 151.1 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | | | trans | 179.3 | 104.3 | 132.5 | -89.1 | -10.2 | 0 | 0 | 0 | 108.6 | | |
| 52 | T | 34.2 | Very low | 34.8 | Very low | 101 Ų | 101 | 150 Ų | 150 | 62% | 0.62 | 79% | 0.792 | S | S | * | * | | | | 78.4 | 106.9 | 82 | 55.9 | 0 | 0 | 0 | 0 | 118.4 | T50 | T50-T52 HydrophobicContact CG2-CG2 4.18Š|
| 53 | T | 33.1 | Very low | 34.6 | Very low | 131 Ų | 131 | 148.2 Ų | 148.2 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | 54.8 | 124 | 138.3 | 56.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 54 | S | 37.8 | Very low | 34.2 | Very low | 125 Ų | 125 | 149.4 Ų | 149.4 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | | -176.6 | 162.6 | 113.6 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 55 | E | 34.3 | Very low | 33.9 | Very low | 155 Ų | 155 | 147.3 Ų | 147.3 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | | | trans | -79.7 | 164.1 | -171.9 | -47.5 | -175.1 | 125.8 | 0 | 0 | 115.7 | | |
| 56 | L | 36.1 | Very low | 33.8 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | | -168.9 | 151.3 | 126.6 | -103.8 | 160.3 | 0 | 0 | 0 | 113.8 | | |
| 57 | K | 37 | Very low | 33.7 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 70% | 0.704 | 79% | 0.789 | S | S | * | * | | | trans | -104.1 | 151.6 | -166.6 | -62.8 | 159.9 | 178.5 | 157.7 | 0 | 113.7 | | |
| 58 | K | 39.7 | Very low | 33.5 | Very low | 201 Ų | 201 | 139.6 Ų | 139.6 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | 176.1 | 104.3 | 145.4 | -99.4 | 160.8 | -178 | -179.3 | 0 | 109.9 | | |
| 59 | T | 32.5 | Very low | 33.5 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | | 65.5 | 99.6 | 70.3 | 60.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 60 | M | 35.2 | Very low | 33.2 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 94% | 0.941 | 79% | 0.792 | S | S | * | * | | | trans | 175.5 | 113.2 | 144.2 | -101.2 | -179.9 | 165.2 | 0 | 0 | 105.8 | | |
| 61 | K | 33.2 | Very low | 33.2 | Very low | 198 Ų | 198 | 149.6 Ų | 149.6 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | | | cis | 86.3 | 123.9 | 30.9 | -139.8 | -172 | -170.9 | -174.3 | 0 | 115.1 | | |
| 62 | L | 32.8 | Very low | 33 | Very low | 166 Ų | 166 | 148.5 Ų | 148.5 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | | | trans | 79.8 | 147.3 | -177.3 | -56.7 | 167.3 | 0 | 0 | 0 | 113.9 | | |
| 63 | A | 31.4 | Very low | 33 | Very low | 91 Ų | 91 | 150.7 Ų | 150.7 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | | | cis | -133 | -153.6 | 0.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 64 | L | 25.6 | Very low | 32.7 | Very low | 168 Ų | 168 | 152.1 Ų | 152.1 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | | | trans | -125.3 | 144.7 | 179.7 | -89.4 | 64.6 | 0 | 0 | 0 | 111.7 | | |
| 65 | A | 31.9 | Very low | 32.4 | Very low | 89 Ų | 89 | 150.7 Ų | 150.7 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | | | trans | -171.8 | 112.8 | 134.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 66 | T | 30 | Very low | 32.2 | Very low | 119 Ų | 119 | 149.2 Ų | 149.2 | 73% | 0.73 | 80% | 0.804 | S | S | * | * | | | | 50.1 | 121 | 84.4 | -17.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 67 | V | 30.7 | Very low | 31.9 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 75% | 0.745 | 80% | 0.797 | S | S | * | * | | | | -164.3 | 132.8 | 61.5 | 161.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 68 | N | 31.7 | Very low | 31.6 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | | | trans | 30.9 | 130.6 | 143.8 | -50.6 | -23.9 | 0 | 0 | 0 | 123.8 | | |
| 69 | Q | 30.9 | Very low | 31.4 | Very low | 185 Ų | 185 | 143.9 Ų | 143.9 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | | | trans | -127.4 | 143.3 | 144.3 | -83.7 | -76.8 | -19.3 | 0 | 0 | 108.6 | | |
| 70 | P | 32.6 | Very low | 31.5 | Very low | 116 Ų | 116 | 144.7 Ų | 144.7 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 159.4 | -157 | -4.7 | 25.2 | 0 | 0 | 0 | 115.6 | | |
| 71 | R | 31.6 | Very low | 31.2 | Very low | 228 Ų | 228 | 139 Ų | 139 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 143.9 | 166.1 | -65.7 | 177.1 | 178.2 | 173.2 | -0.7 | 110.3 | | |
| 72 | P | 31.9 | Very low | 31.2 | Very low | 127 Ų | 127 | 136 Ų | 136 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 131.7 | 160.5 | 6.3 | 9.9 | 0 | 0 | 0 | 110.1 | | |
| 73 | I | 33.2 | Very low | 31.1 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | | | trans | -110.8 | 129.9 | 169 | -67.9 | 174.3 | 0 | 0 | 0 | 107.5 | S75 | I73-S75 PolarHBondContact O-N 3.36Š|
| 74 | N | 26.4 | Very low | 31.3 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | | | trans | -73 | 119.6 | 172.8 | -70.5 | -20.4 | 0 | 0 | 0 | 110.6 | | |
| 75 | S | 30.8 | Very low | 31.5 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | | | trans | -177.3 | 114.9 | 149.3 | 57.4 | 0 | 0 | 0 | 0 | 109.8 | I73 | I73-S75 PolarHBondContact O-N 3.36Š|
| 76 | V | 30.8 | Very low | 31.6 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | | | | 86.7 | 119.7 | 96.2 | 167 | 0 | 0 | 0 | 0 | 114.2 | | |
| 77 | I | 29.2 | Very low | 31.5 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | 83.2 | 108.8 | 151.2 | -71.8 | 168.9 | 0 | 0 | 0 | 120.9 | | |
| 78 | A | 31.9 | Very low | 31.7 | Very low | 80 Ų | 80 | 136.8 Ų | 136.8 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | | | | 74.2 | 130.2 | 128.2 | 0 | 0 | 0 | 0 | 0 | 124.7 | | |
| 79 | K | 34.4 | Very low | 31.5 | Very low | 193 Ų | 193 | 137 Ų | 137 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | | | trans | 50 | 107.5 | 133.8 | -63.2 | 178.5 | 178.1 | -175.3 | 0 | 118.8 | | |
| 80 | T | 34.8 | Very low | 31.6 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | | | | -170.1 | 155.5 | 93.2 | 23.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 81 | G | 28.5 | Very low | 31.6 | Very low | 70 Ų | 70 | 137 Ų | 137 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | trans | -76.2 | -173 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 82 | P | 35.1 | Very low | 31.5 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | | -124.8 | 153.6 | 88.3 | 37 | -33.4 | 0 | 0 | 0 | 114.5 | | |
| 83 | S | 28.7 | Very low | 31.5 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | -84.8 | 140.3 | 171.2 | 51.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 84 | V | 35.8 | Very low | 31.5 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | | | trans | -135.7 | 103.3 | 153.2 | 179.4 | 0 | 0 | 0 | 0 | 107.5 | Q86 | V84-Q86 PolarHBondContact O-N 3.07Š|
| 85 | D | 30.4 | Very low | 31.6 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | trans | -69.4 | 122.1 | 159.8 | -76.6 | -54.3 | 0 | 0 | 0 | 108.5 | | |
| 86 | Q | 35 | Very low | 31.6 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | trans | -157.8 | 108.4 | 151.7 | -120.6 | 159.9 | 72.8 | 0 | 0 | 111.3 | V84 A88 | V84-Q86 PolarHBondContact O-N 3.07Å; Q86-A88 PolarHBondContact O-N 3.3Å |
| 87 | T | 26.8 | Very low | 31.4 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | | | trans | -55.6 | 123.9 | 168.3 | -35.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 88 | A | 34.2 | Very low | 31.6 | Very low | 70 Ų | 70 | 135.1 Ų | 135.1 | 58% | 0.579 | 76% | 0.763 | S | S | * | * | | | trans | -134.1 | 93.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q86 F90 | Q86-A88 PolarHBondContact O-N 3.3Å; A88-F90 HydrophobicContact CB-CD2 4.07Å; A88-F90 HydrophobicContact CB-CE2 4Å; A88-F90 PolarHBondContact O-N 3.04Å; A88-F90 VanDerWaalsContact O-N 3.17Å |
| 89 | D | 27.6 | Very low | 31.6 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | trans | -60.6 | 110.7 | 165.8 | -72.2 | -57.5 | 0 | 0 | 0 | 109.8 | | |
| 90 | F | 34.1 | Very low | 31.5 | Very low | 198 Ų | 198 | 136.5 Ų | 136.5 | 87% | 0.868 | 76% | 0.761 | S | S | * | * | | | trans | -109.1 | 91.1 | 168.1 | -87.6 | -78.5 | 0 | 0 | 0 | 110.9 | A88 | A88-F90 HydrophobicContact CB-CD2 4.07Å; A88-F90 HydrophobicContact CB-CE2 4Å; A88-F90 PolarHBondContact O-N 3.04Å; A88-F90 VanDerWaalsContact O-N 3.17Å |
| 91 | T | 32 | Very low | 31.5 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | | | trans | -71.4 | 171.4 | 171.2 | -62 | 0 | 0 | 0 | 0 | 111 | | |
| 92 | Y | 29.3 | Very low | 31.6 | Very low | 222 Ų | 222 | 142 Ų | 142 | 87% | 0.871 | 76% | 0.759 | S | S | * | * | | | trans | 87.8 | 125.5 | 174.9 | -59.2 | -83 | 0 | 0 | 0 | 115.6 | | |
| 93 | A | 32.8 | Very low | 31.6 | Very low | 83 Ų | 83 | 143.7 Ų | 143.7 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | | | cis | -150.2 | 156.6 | 3.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 94 | S | 32.3 | Very low | 31.7 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | trans | 69.9 | 55.6 | 153.4 | -54.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 95 | R | 28.3 | Very low | 31.5 | Very low | 205 Ų | 205 | 148 Ų | 148 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | | | trans | -82.2 | 118.6 | 151.1 | -169.3 | -174.7 | -158.4 | -152.2 | 7.8 | 108.7 | Q97 | R95-Q97 PolarHBondContact O-N 2.88Š|
| 96 | P | 30.8 | Very low | 31.5 | Very low | 117 Ų | 117 | 151.9 Ų | 151.9 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | | | trans | -70.4 | 95.5 | 167.5 | 28.5 | -31.3 | 0 | 0 | 0 | 108.2 | L98 | P96-L98 PolarHBondContact O-N 3.45Š|
| 97 | Q | 28.2 | Very low | 31.3 | Very low | 119 Ų | 119 | 149.1 Ų | 149.1 | 56% | 0.556 | 76% | 0.755 | S | S | * | * | | | trans | -72 | 95.6 | 168.3 | -71.5 | -158.3 | 37 | 0 | 0 | 108.6 | R95 K99 | R95-Q97 PolarHBondContact O-N 2.88Å; Q97-K99 PolarHBondContact O-N 3.03Å |
| 98 | L | 33.6 | Very low | 31.5 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | | | trans | -71.2 | 62.6 | 161.9 | -93.1 | 159.1 | 0 | 0 | 0 | 110.4 | P96 M101 | P96-L98 PolarHBondContact O-N 3.45Å; L98-M101 HydrophobicContact CD2-CB 3.97Å; L98-M101 HydrophobicContact CD2-CG 3.71Å; L98-M101 HydrophobicContact CD2-SD 3.49Å; L98-M101 WeakPolarHBondContact CD2-SD 3.29Å |
| 99 | K | 30.6 | Very low | 31.2 | Very low | 159 Ų | 159 | 150.2 Ų | 150.2 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | | | trans | -93.5 | 146.8 | 149.1 | -70.2 | 179.7 | 176.2 | 177.9 | 0 | 106 | Q97 | Q97-K99 PolarHBondContact O-N 3.03Š|
| 100 | D | 33.3 | Very low | 31.2 | Very low | 142 Ų | 142 | 150.2 Ų | 150.2 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | | | trans | 75.1 | 32.1 | -172 | -58.9 | -27.1 | 0 | 0 | 0 | 118.2 | | |
| 101 | M | 33.3 | Very low | 31.1 | Very low | 142 Ų | 142 | 152.5 Ų | 152.5 | 70% | 0.7 | 77% | 0.766 | S | S | * | * | | | trans | -101 | 39 | 150.6 | -95 | -170.1 | 67.5 | 0 | 0 | 112.9 | L98 | L98-M101 HydrophobicContact CD2-CB 3.97Å; L98-M101 HydrophobicContact CD2-CG 3.71Å; L98-M101 HydrophobicContact CD2-SD 3.49Å; L98-M101 WeakPolarHBondContact CD2-SD 3.29Å |
| 102 | H | 32.4 | Very low | 30.9 | Very low | 191 Ų | 191 | 157.7 Ų | 157.7 | 88% | 0.884 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -125.7 | 24.5 | 171.3 | -97.3 | -82.8 | 0 | 0 | 0 | 113.4 | | |
| 103 | K | 34.1 | Very low | 31.1 | Very low | 171 Ų | 171 | 156 Ų | 156 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -129.6 | -14.1 | 170.3 | -83 | -179.2 | 177.7 | 170.4 | 0 | 115.7 | L105 | K103-L105 VanDerWaalsContact C-N 3.33Å; K103-L105 PolarHBondContact O-N 3.41Å |
| 104 | E | 30.2 | Very low | 31 | Very low | 163 Ų | 163 | 159.1 Ų | 159.1 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 29.1 | -178.7 | -152.7 | 166.3 | -172.4 | 0 | 0 | 114.4 | | |
| 105 | L | 31.8 | Very low | 31.2 | Very low | 167 Ų | 167 | 163.4 Ų | 163.4 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | 21.9 | 165.8 | -101.7 | 162.1 | 0 | 0 | 0 | 111.5 | K103 | K103-L105 VanDerWaalsContact C-N 3.33Å; K103-L105 PolarHBondContact O-N 3.41Å |
| 106 | R | 31.8 | Very low | 31.3 | Very low | 232 Ų | 232 | 161.2 Ų | 161.2 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -133.5 | 27.7 | 178.2 | -78.8 | -163.5 | 172.8 | -169.4 | 0.2 | 114 | | |
| 107 | T | 29.4 | Very low | 31.3 | Very low | 117 Ų | 117 | 163.3 Ų | 163.3 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -136.9 | 28.1 | -177 | 40.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 108 | S | 31.1 | Very low | 31.6 | Very low | 123 Ų | 123 | 168.4 Ų | 168.4 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -124.6 | 39.8 | 167.6 | 49.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 109 | S | 28.1 | Very low | 31.3 | Very low | 108 Ų | 108 | 170.4 Ų | 170.4 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | | | trans | -126.2 | 49.7 | 179.6 | -177.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 110 | L | 27.2 | Very low | 31.5 | Very low | 144 Ų | 144 | 169.9 Ų | 169.9 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | | | trans | -157.2 | 79 | 170.7 | -146.8 | 75.9 | 0 | 0 | 0 | 116.2 | | |
| 111 | R | 32.2 | Very low | 31.3 | Very low | 245 Ų | 245 | 171 Ų | 171 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | | | trans | -157.6 | 70.9 | 153.7 | -153.6 | 174.7 | -167 | 169.5 | 4.5 | 109.7 | | |
| 112 | R | 28.3 | Very low | 31.5 | Very low | 212 Ų | 212 | 172 Ų | 172 | 80% | 0.8 | 82% | 0.822 | S | S | * | * | | | | 43 | 86.9 | 91 | -76.1 | -168.8 | 176.9 | -104.4 | 2.7 | 114.6 | | |
| 113 | Q | 33.4 | Very low | 31.4 | Very low | 186 Ų | 186 | 166.9 Ų | 166.9 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | | | trans | -170.5 | 94.8 | 136.1 | -105.6 | 171.1 | -20.5 | 0 | 0 | 106.9 | | |
| 114 | N | 30.7 | Very low | 31.1 | Very low | 149 Ų | 149 | 167.6 Ų | 167.6 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | | | | 54 | 98.9 | 93.4 | -78.3 | -2.8 | 0 | 0 | 0 | 114.2 | | |
| 115 | F | 37 | Very low | 31.2 | Very low | 206 Ų | 206 | 163.8 Ų | 163.8 | 90% | 0.904 | 82% | 0.815 | S | S | * | * | | | trans | -159.7 | 92.1 | 130.4 | -110.1 | -72.3 | 0 | 0 | 0 | 109.9 | | |
| 116 | N | 29.2 | Very low | 31.1 | Very low | 159 Ų | 159 | 161.1 Ų | 161.1 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | | | trans | -85.2 | 129.9 | 157 | -93.4 | -20.6 | 0 | 0 | 0 | 106.9 | | |
| 117 | E | 31.5 | Very low | 31.2 | Very low | 161 Ų | 161 | 157 Ų | 157 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | | | trans | 170.7 | 108.9 | 143.6 | -104.4 | -177.5 | -169.1 | 0 | 0 | 112.1 | | |
| 118 | R | 34.2 | Very low | 31.1 | Very low | 227 Ų | 227 | 155.7 Ų | 155.7 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | | | | 174.9 | 119.3 | 109.5 | -94 | 164.9 | -158.9 | -151.7 | 3.4 | 111 | | |
| 119 | Q | 28.2 | Very low | 31.2 | Very low | 175 Ų | 175 | 156.9 Ų | 156.9 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -71.3 | 143.9 | 164.7 | -55.5 | 173.4 | 8.6 | 0 | 0 | 109 | | |
| 120 | V | 35 | Very low | 31.3 | Very low | 148 Ų | 148 | 158.1 Ų | 158.1 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | | | trans | -130.1 | 127.8 | 142.1 | -180 | 0 | 0 | 0 | 0 | 107.1 | | |
| 121 | K | 28.9 | Very low | 31.9 | Very low | 164 Ų | 164 | 157 Ų | 157 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | | | trans | -130.8 | 110.9 | -167.3 | 168.2 | -167.1 | 176.4 | -174.7 | 0 | 107.4 | | |
| 122 | L | 36.4 | Very low | 31.8 | Very low | 164 Ų | 164 | 150.4 Ų | 150.4 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | | | trans | -153.8 | 140.3 | 161.6 | -73.4 | -179.5 | 0 | 0 | 0 | 107.8 | | |
| 123 | T | 30.2 | Very low | 31.9 | Very low | 83 Ų | 83 | 145.8 Ų | 145.8 | 51% | 0.509 | 79% | 0.794 | S | S | . | * | | | cis | 162 | 117.2 | -30.7 | -91.1 | 0 | 0 | 0 | 0 | 104.5 | | |
| 124 | E | 29.3 | Very low | 32 | Very low | 187 Ų | 187 | 146.8 Ų | 146.8 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | trans | 55.6 | 140.6 | 152.2 | -67 | 154.5 | -151 | 0 | 0 | 121.4 | | |
| 125 | G | 32.4 | Very low | 31.9 | Very low | 83 Ų | 83 | 145.1 Ų | 145.1 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | | | trans | 170.6 | 45.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 126 | S | 28.7 | Very low | 31.8 | Very low | 111 Ų | 111 | 141 Ų | 141 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | trans | -79.2 | 135.8 | -179.9 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 127 | V | 34.5 | Very low | 31.9 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | | | trans | -147.3 | 142.1 | 138.9 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 128 | S | 26.6 | Very low | 31.9 | Very low | 89 Ų | 89 | 143.6 Ų | 143.6 | 62% | 0.622 | 79% | 0.794 | S | S | * | * | | | trans | -82.9 | 167.4 | 176.5 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 129 | D | 34 | Very low | 31.8 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | | | | -174.1 | 163.2 | 112.1 | -89.4 | -3.3 | 0 | 0 | 0 | 113.2 | | |
| 130 | T | 30.2 | Very low | 32.2 | Very low | 133 Ų | 133 | 141.4 Ų | 141.4 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | | | trans | -107.1 | 170.9 | -148.7 | 27.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 131 | P | 38.6 | Very low | 32.1 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | | | trans | -104.3 | 173.7 | -153.9 | 40.6 | -37.6 | 0 | 0 | 0 | 115.2 | | |
| 132 | S | 31.1 | Very low | 32.3 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | -153.4 | 110.4 | 154.2 | -161.7 | 0 | 0 | 0 | 0 | 115 | | |
| 133 | T | 30.2 | Very low | 32 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | | 45.5 | 112.6 | 119.7 | -29.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 134 | K | 35.7 | Very low | 32.2 | Very low | 207 Ų | 207 | 139.5 Ų | 139.5 | 90% | 0.9 | 79% | 0.794 | S | S | * | * | | | | -172.6 | 144.9 | 109.9 | -99.9 | 164.3 | -172.3 | 176.2 | 0 | 113.4 | | |
| 135 | S | 29.2 | Very low | 32.5 | Very low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | trans | -91.7 | 154.1 | -176.1 | 46.7 | 0 | 0 | 0 | 0 | 113 | | |
| 136 | S | 33 | Very low | 32.8 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | | | | -158.7 | 126.4 | 129.9 | -164 | 0 | 0 | 0 | 0 | 111.6 | | |
| 137 | I | 31.2 | Very low | 33 | Very low | 140 Ų | 140 | 144.5 Ų | 144.5 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | | | trans | -92.9 | 145.3 | 174.3 | -66.6 | 156.2 | 0 | 0 | 0 | 107.3 | | |
| 138 | Y | 31.6 | Very low | 33.1 | Very low | 234 Ų | 234 | 143 Ų | 143 | 92% | 0.918 | 79% | 0.79 | S | S | * | * | | | trans | -156.5 | 154.1 | 137.3 | -112.5 | -74.5 | 0 | 0 | 0 | 113.8 | | |
| 139 | R | 33.8 | Very low | 33.4 | Very low | 224 Ų | 224 | 148 Ų | 148 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | -89.3 | 165.7 | -164.6 | -91.2 | -179.9 | 169.4 | -178.4 | -2.6 | 115 | | |
| 140 | P | 35.2 | Very low | 33.5 | Very low | 131 Ų | 131 | 148.7 Ų | 148.7 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | | | trans | -85.7 | 155.6 | 170.8 | 36.1 | -35.3 | 0 | 0 | 0 | 114 | | |
| 141 | G | 33.5 | Very low | 33.7 | Very low | 72 Ų | 72 | 149.1 Ų | 149.1 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | | | trans | -173.1 | 172.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 142 | S | 33.4 | Very low | 33.7 | Very low | 98 Ų | 98 | 152.6 Ų | 152.6 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | | | cis | 171.9 | 110.2 | -13.5 | 160.2 | 0 | 0 | 0 | 0 | 105.5 | | |
| 143 | M | 30.2 | Very low | 33.8 | Very low | 147 Ų | 147 | 150.3 Ų | 150.3 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | | | trans | 68.1 | 164 | 157.3 | -58.8 | -155.5 | -61.1 | 0 | 0 | 121.5 | | |
| 144 | Y | 34.8 | Very low | 33.8 | Very low | 203 Ų | 203 | 154.9 Ų | 154.9 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | | | trans | 95.6 | 105 | 165.2 | -59.3 | -74.3 | 0 | 0 | 0 | 119.5 | | |
| 145 | L | 35.7 | Very low | 33.7 | Very low | 155 Ų | 155 | 150.1 Ų | 150.1 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | | | trans | -79.5 | 153.8 | 152.3 | -101 | 139.1 | 0 | 0 | 0 | 109.7 | | |
| 146 | P | 38.7 | Very low | 33.8 | Very low | 127 Ų | 127 | 152.6 Ų | 152.6 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | | -141.2 | 175.4 | 118.3 | 36.2 | -22.5 | 0 | 0 | 0 | 114.7 | | |
| 147 | K | 31.5 | Very low | 33.9 | Very low | 204 Ų | 204 | 155.5 Ų | 155.5 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | trans | -106.2 | 142 | 177.4 | -59.3 | 176.1 | 178 | 179.6 | 0 | 111.8 | | |
| 148 | S | 36.1 | Very low | 33.9 | Very low | 112 Ų | 112 | 155.1 Ų | 155.1 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | | | trans | -168.7 | 115.6 | 150.8 | 48.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 149 | K | 34.2 | Very low | 34.4 | Very low | 195 Ų | 195 | 152.8 Ų | 152.8 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | | | | 43.8 | 116.6 | 86.8 | -78.9 | -158.8 | 173.7 | -164.5 | 0 | 114.2 | | |
| 150 | N | 36.9 | Very low | 34.5 | Very low | 164 Ų | 164 | 148.7 Ų | 148.7 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | | | | -163.6 | 132.1 | 129.9 | -94.4 | -9.4 | 0 | 0 | 0 | 110.2 | | |
| 151 | D | 33 | Very low | 34.6 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | | | trans | -88.6 | -178.1 | 160.2 | -73.2 | -65.7 | 0 | 0 | 0 | 109.3 | | |
| 152 | H | 38.5 | Very low | 34.8 | Very low | 192 Ų | 192 | 152.2 Ų | 152.2 | 89% | 0.889 | 79% | 0.791 | S | S | * | * | | | trans | 75.8 | 134.7 | -176.9 | -40.1 | -68.9 | 0 | 0 | 0 | 113.8 | | |
| 153 | G | 33.3 | Very low | 34.9 | Very low | 60 Ų | 60 | 158.1 Ų | 158.1 | 62% | 0.619 | 80% | 0.798 | S | S | * | * | | | cis | 106.4 | 117.4 | 4.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 154 | F | 30.8 | Very low | 35.2 | Very low | 212 Ų | 212 | 156.1 Ų | 156.1 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | | | trans | 67.3 | 146 | 175.7 | -70.9 | -75.4 | 0 | 0 | 0 | 114.7 | | |
| 155 | T | 32.9 | Very low | 35.3 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 66% | 0.656 | 80% | 0.8 | S | S | * | * | | | cis | -154 | 171.4 | -4.8 | -66.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 156 | E | 30.5 | Very low | 35.2 | Very low | 165 Ų | 165 | 150.6 Ų | 150.6 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | | | trans | -28.8 | 151.7 | 167.1 | -51.7 | 157.6 | 156.9 | 0 | 0 | 119.7 | | |
| 157 | Q | 35.6 | Very low | 35.1 | Very low | 182 Ų | 182 | 148.9 Ų | 148.9 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | | 163.6 | 106.2 | 122.7 | -87.8 | 176.7 | 22.2 | 0 | 0 | 108.8 | | |
| 158 | N | 31.5 | Very low | 35.3 | Very low | 131 Ų | 131 | 148 Ų | 148 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | | 66.7 | 115.5 | 84.1 | -165.8 | 20 | 0 | 0 | 0 | 115.2 | | |
| 159 | M | 42.9 | Very low | 35.3 | Very low | 185 Ų | 185 | 148.4 Ų | 148.4 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | | | trans | -143 | 130.5 | 160.3 | -89.8 | -66 | -161.6 | 0 | 0 | 108.9 | | |
| 160 | N | 34.7 | Very low | 35.5 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | | | trans | -79.5 | 156.3 | -166.7 | -53.8 | -58.5 | 0 | 0 | 0 | 114.1 | | |
| 161 | S | 38.6 | Very low | 35.5 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | | -157.8 | 151 | 120.5 | -152.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 162 | E | 36.2 | Very low | 35.4 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | | | trans | -42.4 | 164.9 | -177.8 | -45 | 178.9 | 145.3 | 0 | 0 | 116.2 | | |
| 163 | R | 35.7 | Very low | 35.5 | Very low | 222 Ų | 222 | 144 Ų | 144 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | | | cis | -171.9 | 145.5 | 30.7 | -154.1 | 171.1 | -172.7 | -154.7 | 3.5 | 111.7 | | |
| 164 | A | 38 | Very low | 35.6 | Very low | 106 Ų | 106 | 148.3 Ų | 148.3 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | | | trans | 55.5 | 133.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 165 | G | 35.5 | Very low | 35.8 | Very low | 66 Ų | 66 | 144.8 Ų | 144.8 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | | | cis | 163.7 | 152.9 | -7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 166 | L | 34.9 | Very low | 35.8 | Very low | 175 Ų | 175 | 145.9 Ų | 145.9 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | | | trans | 65.1 | 144.6 | 167.6 | -51.2 | 171.2 | 0 | 0 | 0 | 116.2 | | |
| 167 | S | 35.5 | Very low | 35.8 | Very low | 92 Ų | 92 | 142.3 Ų | 142.3 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | | | cis | -171 | 130.1 | -15.3 | 46 | 0 | 0 | 0 | 0 | 109.6 | | |
| 168 | Q | 35 | Very low | 35.8 | Very low | 185 Ų | 185 | 140.7 Ų | 140.7 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | trans | 53.3 | 143.5 | 151.9 | -64.2 | -178 | -49.9 | 0 | 0 | 122 | | |
| 169 | P | 37.8 | Very low | 35.9 | Very low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | | | trans | -90.6 | 163.8 | 169.4 | 38.4 | -34.8 | 0 | 0 | 0 | 112.3 | | |
| 170 | P | 38.2 | Very low | 35.3 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | trans | -142 | 147.3 | 143 | 34.8 | -18.5 | 0 | 0 | 0 | 116.3 | | |
| 171 | E | 36 | Very low | 35.2 | Very low | 187 Ų | 187 | 137.7 Ų | 137.7 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | | | trans | 70.6 | 121.3 | 133.4 | -66.6 | 172.7 | -174.3 | 0 | 0 | 123.5 | | |
| 172 | S | 30.8 | Very low | 34.8 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | -48.7 | 140.8 | 159.3 | 50.2 | 0 | 0 | 0 | 0 | 116.7 | | |
| 173 | K | 40.8 | Very low | 34.6 | Very low | 200 Ų | 200 | 136 Ų | 136 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | | | trans | -135.9 | 142.8 | 140.4 | -69.1 | -176.7 | -178.1 | 178.8 | 0 | 107.8 | | |
| 174 | Q | 35.1 | Very low | 34.6 | Very low | 150 Ų | 150 | 128.3 Ų | 128.3 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | | | cis | 163.4 | 136.6 | -17.9 | -119.6 | -172.8 | 4.5 | 0 | 0 | 103.5 | | |
| 175 | L | 35.7 | Very low | 34.7 | Very low | 139 Ų | 139 | 129.2 Ų | 129.2 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | | | trans | 67.6 | 137.6 | 151.2 | -53.5 | 168.2 | 0 | 0 | 0 | 116.8 | | |
| 176 | N | 33.4 | Very low | 34.6 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 69% | 0.69 | 76% | 0.763 | S | S | * | * | | | cis | -149.6 | 141.3 | -0.7 | -79.4 | -36.2 | 0 | 0 | 0 | 106 | | |
| 177 | S | 29.6 | Very low | 34.6 | Very low | 91 Ų | 91 | 130 Ų | 130 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | | | | 56.7 | 92.4 | 56.2 | 74.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 178 | N | 35.2 | Very low | 34.6 | Very low | 147 Ų | 147 | 133.8 Ų | 133.8 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | | | trans | -174.8 | 130.7 | 135.3 | -94.8 | -32.6 | 0 | 0 | 0 | 109.8 | | |
| 179 | T | 34.4 | Very low | 34.5 | Very low | 116 Ų | 116 | 133 Ų | 133 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | | | | 60.4 | 117.4 | 77.5 | -43.4 | 0 | 0 | 0 | 0 | 109.9 | Y181 | T179-Y181 HydrophobicContact CG2-CE2 4.31Š|
| 180 | G | 29.7 | Very low | 34.5 | Very low | 56 Ų | 56 | 132.5 Ų | 132.5 | 58% | 0.577 | 75% | 0.748 | S | S | * | * | | | cis | 140.7 | 168.3 | 28 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 181 | Y | 34 | Very low | 34.3 | Very low | 220 Ų | 220 | 135.7 Ų | 135.7 | 86% | 0.863 | 75% | 0.753 | S | S | * | * | | | trans | 67.7 | 131.1 | 177.9 | -47.1 | -84.6 | 0 | 0 | 0 | 114.6 | T179 | T179-Y181 HydrophobicContact CG2-CE2 4.31Š|
| 182 | A | 28.6 | Very low | 34.1 | Very low | 87 Ų | 87 | 132 Ų | 132 | 72% | 0.719 | 75% | 0.748 | S | S | * | * | | | cis | 85.4 | 134.6 | 38.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 183 | V | 33.7 | Very low | 34.3 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 93% | 0.927 | 75% | 0.745 | S | S | * | * | | | trans | 94.1 | 126.2 | 166.6 | -172.6 | 0 | 0 | 0 | 0 | 118.7 | | |
| 184 | G | 35 | Very low | 34 | Very low | 62 Ų | 62 | 128.9 Ų | 128.9 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | | | trans | 95.1 | 136 | 158.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 185 | T | 39.7 | Very low | 34 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | | | cis | -164.1 | 141.9 | -2.9 | 12.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 186 | E | 33.3 | Very low | 33.6 | Very low | 192 Ų | 192 | 131.4 Ų | 131.4 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | | | trans | 57.2 | 134.1 | 148.6 | -58.9 | 174.9 | 172.8 | 0 | 0 | 120.4 | | |
| 187 | G | 36 | Very low | 33.6 | Very low | 65 Ų | 65 | 130.9 Ų | 130.9 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | | | cis | -150.1 | 155.9 | 0.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 188 | Q | 34.6 | Very low | 33.6 | Very low | 173 Ų | 173 | 131.5 Ų | 131.5 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | | | | 66.5 | 128.7 | 99.7 | -83.3 | -174 | 3.9 | 0 | 0 | 114.7 | | |
| 189 | F | 33.3 | Very low | 33.5 | Very low | 168 Ų | 168 | 129.6 Ų | 129.6 | 74% | 0.737 | 74% | 0.743 | S | S | * | * | | | cis | -149.1 | 135.3 | 18.7 | -115.7 | -85.3 | 0 | 0 | 0 | 113.2 | | |
| 190 | V | 36.8 | Very low | 33.4 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 67% | 0.673 | 75% | 0.753 | S | S | * | * | | | trans | 49.3 | 109.9 | 137.5 | 175.1 | 0 | 0 | 0 | 0 | 123 | | |
| 191 | H | 33.7 | Very low | 33.6 | Very low | 175 Ų | 175 | 133 Ų | 133 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | | | | 18.4 | 156.4 | 121.6 | -76.2 | -87.5 | 0 | 0 | 0 | 123.8 | | |
| 192 | S | 33.7 | Very low | 33.6 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | 88.2 | 143.6 | 157.6 | -50.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 193 | S | 35.2 | Very low | 34 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | | | cis | -174.1 | 153.3 | -6.9 | 42.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 194 | L | 33.9 | Very low | 34 | Very low | 141 Ų | 141 | 132.8 Ų | 132.8 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | | | trans | 62.6 | 132.7 | 146.5 | -92.8 | 80.8 | 0 | 0 | 0 | 121.7 | | |
| 195 | Q | 34.2 | Very low | 34.1 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | | | trans | 69.3 | 151.7 | 142.5 | -66.5 | -173.3 | 16.4 | 0 | 0 | 118.3 | | |
| 196 | R | 28 | Very low | 33.9 | Very low | 196 Ų | 196 | 140.1 Ų | 140.1 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | | | cis | 179 | 177.3 | -23.3 | -145.1 | -171.1 | -62.2 | -156.5 | 3.1 | 103.5 | | |
| 197 | T | 34 | Very low | 33.9 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | | | trans | 68.7 | 95.7 | 165.7 | 67.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 198 | S | 28.4 | Very low | 33.8 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | | 15.6 | 132.8 | 118.9 | 59.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 199 | S | 33.6 | Very low | 34 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | | | | 146.5 | 148.3 | 104.7 | 66.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 200 | L | 31.4 | Very low | 33.9 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 93% | 0.927 | 75% | 0.75 | S | S | * | * | | | trans | 50.5 | 134.4 | 146.1 | -101 | 67 | 0 | 0 | 0 | 123.6 | | |
| 201 | G | 34.2 | Very low | 33.8 | Very low | 67 Ų | 67 | 133.8 Ų | 133.8 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | | | trans | 122.7 | 105.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 202 | R | 34.9 | Very low | 33.7 | Very low | 231 Ų | 231 | 132.9 Ų | 132.9 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | | | | 93.6 | 139.7 | 60.9 | -88.5 | -164.5 | -176.1 | -169.9 | 4.2 | 112.8 | | |
| 203 | N | 36.8 | Very low | 34 | Very low | 145 Ų | 145 | 133 Ų | 133 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | | | trans | 80.3 | 154.6 | 164.5 | -48.2 | -21.9 | 0 | 0 | 0 | 117.3 | | |
| 204 | S | 32.9 | Very low | 34 | Very low | 80 Ų | 80 | 134.9 Ų | 134.9 | 56% | 0.559 | 76% | 0.764 | S | S | * | * | | | | -177.7 | 161.5 | -54.7 | 44.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 205 | H | 37.3 | Very low | 33.8 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 70% | 0.704 | 77% | 0.769 | S | S | * | * | | | trans | 86.3 | 120.9 | 166.4 | -50.4 | -57.2 | 0 | 0 | 0 | 118.2 | | |
| 206 | K | 34.8 | Very low | 33.9 | Very low | 187 Ų | 187 | 137.7 Ų | 137.7 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | | 68.7 | 123.8 | 104.3 | -61.4 | 177.7 | 177.1 | -178.4 | 0 | 112.3 | | |
| 207 | S | 34.2 | Very low | 34 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | cis | -158.9 | 177.3 | 49.2 | -60.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 208 | V | 33.8 | Very low | 34 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | trans | -142.3 | 178.3 | -169.4 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 209 | P | 39.8 | Very low | 34.1 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | | | | -115.8 | -168.1 | -53.4 | 38.3 | -23.4 | 0 | 0 | 0 | 112.8 | | |
| 210 | A | 30.9 | Very low | 34.1 | Very low | 89 Ų | 89 | 140 Ų | 140 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | | | | 173.8 | 163.8 | 116.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 211 | S | 33.7 | Very low | 34.3 | Very low | 121 Ų | 121 | 137 Ų | 137 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | trans | 78.5 | 108.7 | 160.3 | 43.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 212 | N | 31.9 | Very low | 33.9 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | | | trans | -73.7 | -174.2 | 145.4 | -100.5 | -14.2 | 0 | 0 | 0 | 110 | | |
| 213 | P | 40.3 | Very low | 33.7 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | cis | -150.5 | -163.6 | 24.1 | 28.9 | 0.3 | 0 | 0 | 0 | 118 | | |
| 214 | V | 34.9 | Very low | 33.3 | Very low | 135 Ų | 135 | 130.7 Ų | 130.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | 110.5 | 142.7 | 147 | -167.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 215 | L | 30.4 | Very low | 33.2 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | trans | -91.9 | 160.3 | -172.5 | -61.1 | 140.7 | 0 | 0 | 0 | 114.1 | | |
| 216 | Q | 35.5 | Very low | 32.8 | Very low | 189 Ų | 189 | 133.9 Ų | 133.9 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | -166.6 | 131.1 | 130.1 | -112 | 171.6 | 0.6 | 0 | 0 | 116.8 | | |
| 217 | Y | 30.7 | Very low | 32.6 | Very low | 210 Ų | 210 | 130 Ų | 130 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | | | trans | 2.2 | 153.5 | 153.8 | -76.8 | -93.8 | 0 | 0 | 0 | 126.5 | | |
| 218 | S | 33 | Very low | 32.4 | Very low | 120 Ų | 120 | 130 Ų | 130 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | | | trans | 69.9 | 146.4 | 148.9 | 63.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 219 | G | 32.2 | Very low | 32.5 | Very low | 66 Ų | 66 | 129.6 Ų | 129.6 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | | | cis | 165.1 | 138.6 | -10.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 220 | L | 32.4 | Very low | 32.1 | Very low | 176 Ų | 176 | 130.8 Ų | 130.8 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | | | trans | 62.6 | 169.7 | 170.7 | -69.9 | 168.8 | 0 | 0 | 0 | 117.5 | | |
| 221 | P | 34.9 | Very low | 32.4 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | | | cis | -122.1 | 178.6 | -11.3 | 35.8 | -19.4 | 0 | 0 | 0 | 114.1 | | |
| 222 | G | 26.7 | Very low | 32.3 | Very low | 71 Ų | 71 | 135.4 Ų | 135.4 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | | | trans | -139.2 | 116.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 223 | I | 30.9 | Very low | 32.4 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | trans | -178.8 | 150.3 | 171.8 | 32.4 | 177.3 | 0 | 0 | 0 | 106 | | |
| 224 | S | 27.8 | Very low | 32.1 | Very low | 81 Ų | 81 | 138.9 Ų | 138.9 | 57% | 0.566 | 76% | 0.764 | S | S | * | * | | | cis | -168.7 | 176.2 | -9.8 | 51.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 225 | E | 32.2 | Very low | 32.2 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 71% | 0.71 | 77% | 0.767 | S | S | * | * | | | trans | 75.1 | 115.1 | 146.6 | -72 | 154.5 | -110.8 | 0 | 0 | 124.2 | | |
| 226 | N | 28 | Very low | 32.1 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | | | | 60.4 | 116.1 | 123.4 | -53.8 | -15.4 | 0 | 0 | 0 | 122.1 | | |
| 227 | S | 31.6 | Very low | 32 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | | 170.4 | 123.3 | 86.4 | -166 | 0 | 0 | 0 | 0 | 114.5 | | |
| 228 | T | 28.9 | Very low | 31.8 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | | | trans | 29 | 129.4 | 137.9 | -19.7 | 0 | 0 | 0 | 0 | 122.6 | | |
| 229 | V | 35.4 | Very low | 31.6 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | | | | 172.8 | 116.1 | 114.9 | 157.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 230 | N | 33.1 | Very low | 31.3 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | | | trans | 60.1 | 149.8 | 145.5 | -67.6 | -3.2 | 0 | 0 | 0 | 128.2 | | |
| 231 | E | 36 | Very low | 31.2 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | | | trans | 71.9 | 140 | 163.9 | -58.7 | -161.4 | -179.4 | 0 | 0 | 120.4 | | |
| 232 | Q | 32.8 | Very low | 30.8 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 62% | 0.617 | 74% | 0.739 | S | S | * | * | | | cis | -163.1 | 159.7 | -26.1 | -168.1 | 166.1 | -54.2 | 0 | 0 | 109.8 | | |
| 233 | F | 33.2 | Very low | 31 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | | | trans | 88.4 | 95 | 166 | -65.7 | -74.8 | 0 | 0 | 0 | 121.9 | | |
| 234 | K | 34.5 | Very low | 30.7 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | | | | 32.2 | 143.8 | 122.9 | -86 | -171.4 | 175.2 | -173.4 | 0 | 121.3 | D236 | K234-D236 HydrophobicContact CG-CB 4.48Š|
| 235 | P | 35.7 | Very low | 31 | Very low | 135 Ų | 135 | 146.6 Ų | 146.6 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | | | cis | -124 | 179.5 | 47.7 | 40.6 | -29.1 | 0 | 0 | 0 | 116.3 | | |
| 236 | D | 28.9 | Very low | 30.8 | Very low | 115 Ų | 115 | 148 Ų | 148 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | | | trans | -145.6 | 172.2 | -148 | -158.5 | -6.8 | 0 | 0 | 0 | 111.6 | K234 | K234-D236 HydrophobicContact CG-CB 4.48Š|
| 237 | L | 32.9 | Very low | 30.8 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | 84 | 106.1 | 163 | -67.6 | 152.3 | 0 | 0 | 0 | 120.6 | | |
| 238 | Q | 27 | Very low | 30.9 | Very low | 154 Ų | 154 | 150.2 Ų | 150.2 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | trans | -58.4 | 161.7 | 145.6 | -52.8 | 163.9 | -69.4 | 0 | 0 | 111.1 | | |
| 239 | Y | 27.9 | Very low | 30.9 | Very low | 191 Ų | 191 | 155.3 Ų | 155.3 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | | | | -178 | 153.6 | 103.3 | -111.5 | -90.2 | 0 | 0 | 0 | 113.1 | | |
| 240 | S | 27 | Very low | 31.2 | Very low | 80 Ų | 80 | 154.6 Ų | 154.6 | 56% | 0.559 | 77% | 0.771 | S | S | * | * | | | trans | -67.7 | 159.8 | 172 | 55 | 0 | 0 | 0 | 0 | 113.3 | | |
| 241 | H | 30.4 | Very low | 31.5 | Very low | 184 Ų | 184 | 155.7 Ų | 155.7 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | | | | -162.7 | 145.2 | 121.7 | -90.1 | -52.4 | 0 | 0 | 0 | 112.3 | | |
| 242 | Q | 27 | Very low | 31.7 | Very low | 185 Ų | 185 | 156 Ų | 156 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | | | trans | -72 | 145.1 | 166.5 | -62.7 | 170.1 | -9.6 | 0 | 0 | 109.6 | | |
| 243 | M | 29.8 | Very low | 31.9 | Very low | 186 Ų | 186 | 155.4 Ų | 155.4 | 92% | 0.916 | 77% | 0.766 | S | S | * | * | | | trans | -153.5 | 128 | 139.2 | -84.6 | -137 | -172.2 | 0 | 0 | 110.4 | | |
| 244 | T | 25.7 | Very low | 32.5 | Very low | 141 Ų | 141 | 152.3 Ų | 152.3 | 87% | 0.865 | 75% | 0.754 | S | S | * | * | | | trans | -79.5 | 136 | 168.7 | 41.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 245 | T | 32.3 | Very low | 33 | Very low | 124 Ų | 124 | 150.2 Ų | 150.2 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | | | trans | -139.1 | 115.1 | 162 | -35.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 246 | Q | 29 | Very low | 33.5 | Very low | 180 Ų | 180 | 148.4 Ų | 148.4 | 84% | 0.841 | 73% | 0.726 | S | S | * | * | | | trans | -59.1 | 134.8 | 161.9 | -63.6 | 173.8 | -6.6 | 0 | 0 | 108.5 | | |
| 247 | M | 27.8 | Very low | 34.2 | Very low | 162 Ų | 162 | 149.6 Ų | 149.6 | 80% | 0.798 | 73% | 0.728 | S | S | * | * | | | trans | -151 | 136.5 | 151.2 | -77.7 | -49.6 | -68.7 | 0 | 0 | 110.4 | | |
| 248 | D | 33.9 | Very low | 34.8 | Very low | 140 Ų | 140 | 147.6 Ų | 147.6 | 75% | 0.749 | 72% | 0.715 | S | S | * | * | | | trans | -24.9 | 145.5 | -171 | -69 | -61 | 0 | 0 | 0 | 122.7 | | |
| 249 | Y | 28.3 | Very low | 35.4 | Very low | 224 Ų | 224 | 149.6 Ų | 149.6 | 88% | 0.878 | 72% | 0.716 | S | S | * | * | | | trans | -55.3 | 127.5 | 161.2 | -99.4 | -100.7 | 0 | 0 | 0 | 111.4 | Q251 | Y249-Q251 PolarHBondContact O-N 3.19Š|
| 250 | P | 42.5 | Very low | 35.8 | Very low | 108 Ų | 108 | 147.5 Ų | 147.5 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | | | trans | -68 | 108 | 168.6 | 26.6 | -31.7 | 0 | 0 | 0 | 110.2 | W252 | P250-W252 PolarHBondContact O-N 3.13Š|
| 251 | Q | 39.6 | Very low | 36.1 | Very low | 164 Ų | 164 | 150.9 Ų | 150.9 | 77% | 0.766 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.8 | -5.8 | -178.1 | -154.8 | 173 | 13.4 | 0 | 0 | 116 | Y249 L253 H254 H255 | Y249-Q251 PolarHBondContact O-N 3.19Å; Q251-L253 PolarHBondContact O-N 3.17Å; Q251-H254 WeakPolarHBondContact O-CB 3.46Å; Q251-H254 PolarHBondContact O-N 2.88Å; Q251-H255 PolarHBondContact O-N 2.91Å |
| 252 | W | 39.4 | Very low | 36.3 | Very low | 181 Ų | 181 | 148 Ų | 148 | 69% | 0.686 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -65.6 | -32.8 | -177.8 | -177.7 | 66.6 | 0 | 0 | 0 | 114.1 | P250 H254 H255 Q256 | P250-W252 PolarHBondContact O-N 3.13Å; W252-H254 PolarHBondContact O-N 3.42Å; W252-H255 WeakPolarHBondContact O-CB 3.35Å; W252-H255 PolarHBondContact O-N 2.98Å; W252-H255 VanDerWaalsContact O-N 3.14Å; W252-Q256 PolarHBondContact O-N 2.72Å |
| 253 | L | 37.3 | Very low | 36.8 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 63% | 0.628 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -67.6 | -27.8 | 178 | -142.9 | 76.6 | 0 | 0 | 0 | 112.1 | Q251 Q257 | Q251-L253 PolarHBondContact O-N 3.17Å; L253-Q257 PolarHBondContact O-N 3.08Å |
| 254 | H | 44.9 | Very low | 37 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 53% | 0.528 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -72.8 | -34.8 | 173.5 | -138.8 | 86.7 | 0 | 0 | 0 | 111.5 | Q251 W252 Q256 Q257 Q258 | Q251-H254 WeakPolarHBondContact O-CB 3.46Å; Q251-H254 PolarHBondContact O-N 2.88Å; W252-H254 PolarHBondContact O-N 3.42Å; H254-Q256 VanDerWaalsContact C-N 3.35Å; H254-Q256 PolarHBondContact O-N 2.8Å; H254-Q257 PolarHBondContact O-N 3.23Å; H254-Q258 PolarHBondContact CD2-NE2 3.37Å; H254-Q258 WeakPolarHBondContact O-CB 3.49Å; H254-Q258 WeakPolarHBondContact O-CG 3.49Å; H254-Q258 PolarHBondContact O-N 3.48Å |
| 255 | H | 45.6 | Very low | 37.5 | Very low | 120 Ų | 120 | 144 Ų | 144 | 56% | 0.556 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -68.4 | -26.9 | 176.8 | -109.1 | 65.2 | 0 | 0 | 0 | 114.1 | Q251 W252 | Q251-H255 PolarHBondContact O-N 2.91Å; W252-H255 WeakPolarHBondContact O-CB 3.35Å; W252-H255 PolarHBondContact O-N 2.98Å; W252-H255 VanDerWaalsContact O-N 3.14Å |
| 256 | Q | 45.6 | Very low | 37.6 | Very low | 97 Ų | 97 | 147.2 Ų | 147.2 | 45% | 0.453 | 72% | 0.721 | S | S | . | * | H | α-helix | trans | -78.6 | -35 | 172.4 | -84.7 | -84.8 | -24.8 | 0 | 0 | 112.2 | W252 H254 | W252-Q256 PolarHBondContact O-N 2.72Å; H254-Q256 VanDerWaalsContact C-N 3.35Å; H254-Q256 PolarHBondContact O-N 2.8Å |
| 257 | Q | 45.1 | Very low | 37.7 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 65% | 0.65 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -77 | -29.2 | 175.9 | -72.2 | -176.2 | -2.8 | 0 | 0 | 113.4 | L253 H254 R259 L260 | L253-Q257 PolarHBondContact O-N 3.08Å; H254-Q257 PolarHBondContact O-N 3.23Å; Q257-R259 VanDerWaalsContact C-N 3.34Å; Q257-R259 PolarHBondContact O-N 3.16Å; Q257-L260 PolarHBondContact O-N 2.85Å |
| 258 | Q | 45.8 | Very low | 37.9 | Very low | 106 Ų | 106 | 146 Ų | 146 | 50% | 0.495 | 72% | 0.722 | S | S | . | * | H | α-helix | trans | -72 | -22.3 | 175 | -77.3 | -178.6 | -17.8 | 0 | 0 | 113.9 | H254 L260 Q261 | H254-Q258 PolarHBondContact CD2-NE2 3.37Å; H254-Q258 WeakPolarHBondContact O-CB 3.49Å; H254-Q258 WeakPolarHBondContact O-CG 3.49Å; H254-Q258 PolarHBondContact O-N 3.48Å; Q258-L260 PolarHBondContact O-N 3.01Å; Q258-Q261 PolarHBondContact O-N 2.95Å |
| 259 | R | 38.4 | Very low | 37.7 | Very low | 196 Ų | 196 | 145.8 Ų | 145.8 | 74% | 0.74 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 6.6 | 173.1 | -71.2 | -152.5 | -64.1 | -174.5 | -0 | 114.7 | Q257 | Q257-R259 VanDerWaalsContact C-N 3.34Å; Q257-R259 PolarHBondContact O-N 3.16Å |
| 260 | L | 37.4 | Very low | 37.9 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 12.8 | 172.7 | -73.2 | 165.3 | 0 | 0 | 0 | 113 | Q257 Q258 | Q257-L260 PolarHBondContact O-N 2.85Å; Q258-L260 PolarHBondContact O-N 3.01Å |
| 261 | Q | 32.8 | Very low | 37.4 | Very low | 151 Ų | 151 | 144.5 Ų | 144.5 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -83.1 | 129.5 | 166.1 | -73.1 | -160.3 | 3.6 | 0 | 0 | 111.3 | Q258 S263 | Q258-Q261 PolarHBondContact O-N 2.95Å; Q261-S263 PolarHBondContact O-N 3.47Å; Q261-S263 VanDerWaalsContact O-N 3.16Å |
| 262 | P | 34.4 | Very low | 36.9 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | | | trans | -78.1 | 95.7 | 171.5 | 31.7 | -32.1 | 0 | 0 | 0 | 109.6 | Q264 | P262-Q264 PolarHBondContact O-N 3.41Š|
| 263 | S | 36.6 | Very low | 36.5 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | | | trans | -68.6 | 120.7 | 164.1 | 30.7 | 0 | 0 | 0 | 0 | 109.2 | Q261 | Q261-S263 PolarHBondContact O-N 3.47Å; Q261-S263 VanDerWaalsContact O-N 3.16Å |
| 264 | Q | 35.6 | Very low | 36.3 | Very low | 185 Ų | 185 | 144.3 Ų | 144.3 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | | | trans | -62.3 | 133.9 | -178.2 | -63.5 | 175.5 | -74.2 | 0 | 0 | 110.8 | P262 Q266 | P262-Q264 PolarHBondContact O-N 3.41Å; Q264-Q266 PolarHBondContact O-N 3.16Å |
| 265 | P | 35.8 | Very low | 35.6 | Very low | 127 Ų | 127 | 147.3 Ų | 147.3 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | | | trans | -74.4 | 107.7 | 164.4 | 30.2 | -30.1 | 0 | 0 | 0 | 108.4 | | |
| 266 | Q | 34 | Very low | 34.8 | Very low | 192 Ų | 192 | 148.5 Ų | 148.5 | 90% | 0.897 | 76% | 0.757 | S | S | * | * | | | trans | -79.1 | 128.2 | 169.8 | -164.1 | 166 | 4.7 | 0 | 0 | 108.9 | Q264 | Q264-Q266 PolarHBondContact O-N 3.16Š|
| 267 | E | 30.3 | Very low | 34.1 | Very low | 179 Ų | 179 | 151.6 Ų | 151.6 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | trans | -69.3 | 126.5 | -172.8 | -56.3 | 173.1 | 135 | 0 | 0 | 111.9 | | |
| 268 | T | 32.4 | Very low | 33.4 | Very low | 137 Ų | 137 | 149.3 Ų | 149.3 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | | | trans | -145.4 | 102.1 | 144.2 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 269 | I | 31.1 | Very low | 32.7 | Very low | 137 Ų | 137 | 152 Ų | 152 | 70% | 0.703 | 79% | 0.788 | S | S | * | * | | | trans | -23.7 | 121.5 | 157 | -63 | 151.1 | 0 | 0 | 0 | 115.3 | | |
| 270 | N | 31.2 | Very low | 32.3 | Very low | 132 Ų | 132 | 151 Ų | 151 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | | 177.6 | 117.8 | 115 | -97.9 | -49.1 | 0 | 0 | 0 | 115.9 | | |
| 271 | Q | 32.6 | Very low | 32.1 | Very low | 173 Ų | 173 | 149.3 Ų | 149.3 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | | | trans | 58.2 | 137.7 | 138.3 | -57.2 | -112.5 | 13.6 | 0 | 0 | 122.1 | | |
| 272 | P | 28.8 | Very low | 32 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | | | trans | -102.8 | 145 | -179.3 | 38.5 | -31.5 | 0 | 0 | 0 | 113.8 | | |
| 273 | I | 31.1 | Very low | 31.8 | Very low | 167 Ų | 167 | 145 Ų | 145 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | | | trans | -131.8 | 128.5 | 159.4 | -66.6 | -175.4 | 0 | 0 | 0 | 110.5 | | |
| 274 | Q | 32.4 | Very low | 31.6 | Very low | 179 Ų | 179 | 151.3 Ų | 151.3 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | | | trans | -75.2 | 140.2 | 170.3 | -53.9 | 164.4 | 19.8 | 0 | 0 | 109.4 | | |
| 275 | Q | 31.3 | Very low | 31.4 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | | | trans | -154.2 | 120.4 | 140 | -121.3 | 167 | 3.9 | 0 | 0 | 113.6 | | |
| 276 | I | 27.7 | Very low | 31.1 | Very low | 145 Ų | 145 | 151.5 Ų | 151.5 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | | | trans | -84.5 | 122.4 | 166.9 | -63.1 | 160.3 | 0 | 0 | 0 | 107.1 | | |
| 277 | H | 31.1 | Very low | 31.1 | Very low | 163 Ų | 163 | 147.9 Ų | 147.9 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | -156.1 | 109.5 | 148.8 | -81 | -55.6 | 0 | 0 | 0 | 107.9 | | |
| 278 | S | 30.9 | Very low | 31 | Very low | 91 Ų | 91 | 147.3 Ų | 147.3 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | | 71.1 | 102.3 | 82.6 | -59.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 279 | L | 31.6 | Very low | 31 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | | | trans | -168.6 | 91.1 | 154.5 | -99.2 | 160.7 | 0 | 0 | 0 | 107.5 | | |
| 280 | H | 30.1 | Very low | 31 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | | | | 71 | 111.9 | 97.9 | -79.6 | -131.4 | 0 | 0 | 0 | 115.9 | | |
| 281 | S | 32.3 | Very low | 31 | Very low | 110 Ų | 110 | 146.8 Ų | 146.8 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -164.2 | 122.2 | 132.7 | -162.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 282 | S | 31.8 | Very low | 31.1 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | 48.9 | 124.3 | 156.7 | 58.1 | 0 | 0 | 0 | 0 | 120.8 | | |
| 283 | G | 30.2 | Very low | 31 | Very low | 66 Ų | 66 | 143.1 Ų | 143.1 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | | | cis | 172.9 | 175.3 | -2.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 284 | W | 30.9 | Very low | 31.1 | Very low | 248 Ų | 248 | 140.3 Ų | 140.3 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | | | trans | 80.7 | 149.9 | 172.7 | -55.4 | 108.3 | 0 | 0 | 0 | 119 | | |
| 285 | T | 31.9 | Very low | 31 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | -144.2 | 164.8 | -132.2 | 39.4 | 0 | 0 | 0 | 0 | 115.9 | | |
| 286 | F | 29.1 | Very low | 31.1 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 83% | 0.833 | 78% | 0.776 | S | S | * | * | | | trans | -59 | 169.1 | 177.7 | -92.6 | -94.2 | 0 | 0 | 0 | 116.7 | | |
| 287 | P | 34.4 | Very low | 31.4 | Very low | 117 Ų | 117 | 137 Ų | 137 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | | | | -125.6 | 125.7 | 107.7 | 35.5 | -29.9 | 0 | 0 | 0 | 111.3 | | |
| 288 | Q | 29.2 | Very low | 31.2 | Very low | 167 Ų | 167 | 134 Ų | 134 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | | | | 55.2 | 108.1 | 73.3 | -79.3 | -156.1 | -4.8 | 0 | 0 | 116.3 | | |
| 289 | N | 31.5 | Very low | 31.3 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | | | trans | -161.1 | 148.7 | 135.8 | -99.4 | -32.5 | 0 | 0 | 0 | 108.2 | | |
| 290 | T | 31.5 | Very low | 31.3 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 63% | 0.632 | 78% | 0.778 | S | S | * | * | | | cis | -170 | 130.5 | -30.1 | -97.7 | 0 | 0 | 0 | 0 | 106 | | |
| 291 | V | 30.1 | Very low | 31.6 | Very low | 136 Ų | 136 | 129.9 Ų | 129.9 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | trans | 38.2 | 124.7 | 147 | -172.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 292 | A | 34.5 | Very low | 31.6 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | | | | -161.7 | 156.2 | 73.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 293 | S | 27.9 | Very low | 31.7 | Very low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | | | trans | -118 | 142.4 | 172.6 | 175.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 294 | S | 33.6 | Very low | 31.8 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | trans | 176.8 | 119.6 | 155.2 | -78.9 | 0 | 0 | 0 | 0 | 105.9 | | |
| 295 | Q | 29.4 | Very low | 31.9 | Very low | 160 Ų | 160 | 129.3 Ų | 129.3 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | | 55.1 | 114.6 | 61.1 | -147 | 170.1 | 5.2 | 0 | 0 | 109.8 | | |
| 296 | V | 33.7 | Very low | 32 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 76% | 0.758 | 75% | 0.753 | S | S | * | * | | | | -175.3 | 132 | 97.1 | 149.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 297 | H | 32.9 | Very low | 32 | Very low | 146 Ų | 146 | 123.6 Ų | 123.6 | 68% | 0.676 | 75% | 0.747 | S | S | * | * | | | trans | 29.6 | 127.8 | 146.7 | -62.4 | -78.8 | 0 | 0 | 0 | 125 | | |
| 298 | S | 27.2 | Very low | 32 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | | | | 53.4 | 120.8 | 120.6 | -48.6 | 0 | 0 | 0 | 0 | 122 | | |
| 299 | S | 34.4 | Very low | 32.1 | Very low | 126 Ų | 126 | 126 Ų | 126 | 88% | 0.881 | 75% | 0.745 | S | S | * | * | | | | 169.5 | 149.8 | 107.6 | 45.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 300 | A | 29.9 | Very low | 32.2 | Very low | 91 Ų | 91 | 123 Ų | 123 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | | | trans | -106.4 | 162.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 301 | P | 37.6 | Very low | 32.1 | Very low | 125 Ų | 125 | 123.2 Ų | 123.2 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | | | | -150.6 | 133 | 120.6 | 33 | -14.2 | 0 | 0 | 0 | 117.3 | | |
| 302 | N | 32.9 | Very low | 32 | Very low | 137 Ų | 137 | 121.1 Ų | 121.1 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | | | | 53.9 | 144.8 | 121 | -118.8 | 5.6 | 0 | 0 | 0 | 125.2 | | |
| 303 | N | 32.9 | Very low | 31.8 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 61% | 0.61 | 73% | 0.734 | S | S | * | * | | | trans | 73.3 | 148.4 | 148.2 | -68.5 | -15.5 | 0 | 0 | 0 | 120.4 | | |
| 304 | Q | 31.8 | Very low | 32 | Very low | 147 Ų | 147 | 128.3 Ų | 128.3 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | | | cis | -171.6 | 167 | -20.3 | -118 | 177.1 | 51.2 | 0 | 0 | 109.4 | | |
| 305 | T | 33.2 | Very low | 32.1 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | | | trans | 63.4 | 157 | 160.6 | 48.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 306 | S | 34.1 | Very low | 32.1 | Very low | 92 Ų | 92 | 124 Ų | 124 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | | | cis | -156.8 | 127.6 | 6.6 | 134.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 307 | C | 28.4 | Very low | 31.8 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 70% | 0.696 | 73% | 0.727 | S | S | * | * | | | | 86.9 | 156.8 | 98.7 | -56.1 | 0 | 0 | 0 | 0 | 117.2 | | |
| 308 | Y | 35.2 | Very low | 31.8 | Very low | 197 Ų | 197 | 125.3 Ų | 125.3 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | | | trans | 80.1 | 107.5 | 174.9 | -61.8 | -82.3 | 0 | 0 | 0 | 116.6 | | |
| 309 | N | 31.6 | Very low | 31.9 | Very low | 137 Ų | 137 | 127 Ų | 127 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | | | | 82 | 135.3 | 70.7 | -78 | 12.7 | 0 | 0 | 0 | 112 | | |
| 310 | S | 32.9 | Very low | 31.8 | Very low | 94 Ų | 94 | 124.1 Ų | 124.1 | 66% | 0.657 | 73% | 0.729 | S | S | * | * | | | cis | -166.1 | 156.9 | -2.8 | -85.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 311 | S | 29.7 | Very low | 31.7 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | | | trans | 56.6 | 150 | 134.8 | -176.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 312 | S | 28.2 | Very low | 31.1 | Very low | 92 Ų | 92 | 130.3 Ų | 130.3 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | | | cis | -174.9 | -176.6 | -20.3 | -76 | 0 | 0 | 0 | 0 | 106.7 | | |
| 313 | Y | 29.4 | Very low | 31 | Very low | 211 Ų | 211 | 131.5 Ų | 131.5 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | | | trans | 80.3 | 95.8 | 162.2 | -72.1 | -79.2 | 0 | 0 | 0 | 119.8 | | |
| 314 | N | 33.8 | Very low | 30.6 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | | -94.2 | 146.7 | 128.7 | -167.6 | -2.7 | 0 | 0 | 0 | 106.3 | | |
| 315 | P | 35.2 | Very low | 30.6 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | | | | -158.8 | 172.8 | 101.9 | 41.4 | -21.9 | 0 | 0 | 0 | 117.7 | | |
| 316 | A | 28.3 | Very low | 30.7 | Very low | 78 Ų | 78 | 134.1 Ų | 134.1 | 65% | 0.645 | 75% | 0.746 | S | S | * | * | | | trans | 80.4 | 115.1 | 139.7 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 317 | N | 28.1 | Very low | 30.7 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | | | | 44.7 | 117.1 | 123.1 | -59.7 | -2.2 | 0 | 0 | 0 | 122.4 | | |
| 318 | N | 32.8 | Very low | 31.2 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | | | | -170.5 | 128.9 | 116.7 | -91.1 | -39.6 | 0 | 0 | 0 | 107.1 | | |
| 319 | V | 28.5 | Very low | 31 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | | | | 66.5 | 120.2 | 62.1 | -176.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 320 | G | 32.2 | Very low | 31.1 | Very low | 65 Ų | 65 | 132.6 Ų | 132.6 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | | | trans | 131.5 | 91.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 321 | E | 28.5 | Very low | 31 | Very low | 168 Ų | 168 | 131.8 Ų | 131.8 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | | | | 97.5 | 131.2 | 67.6 | -89.3 | -156.4 | 144.5 | 0 | 0 | 113.5 | | |
| 322 | F | 25.6 | Very low | 31.2 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | | | trans | 47.7 | 125.9 | 152.3 | -74 | -87.8 | 0 | 0 | 0 | 119.5 | | |
| 323 | M | 30.1 | Very low | 31.4 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | | | | -165 | 152.6 | 50.3 | -74.5 | -165.6 | 72.8 | 0 | 0 | 112.9 | | |
| 324 | F | 24.8 | Very low | 31.5 | Very low | 198 Ų | 198 | 129.7 Ų | 129.7 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | | | trans | -82.3 | 141.5 | 159.8 | -98.7 | -101 | 0 | 0 | 0 | 110.9 | | |
| 325 | T | 31.7 | Very low | 31.5 | Very low | 120 Ų | 120 | 130 Ų | 130 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | trans | -146.6 | 116.9 | 157.7 | -45.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 326 | V | 34.7 | Very low | 31.3 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | | | trans | -119.6 | 137 | 163.2 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 327 | P | 34.3 | Very low | 31.5 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | | | trans | -148.7 | 177.5 | 146.6 | 40.5 | -24.1 | 0 | 0 | 0 | 113.3 | | |
| 328 | P | 39.1 | Very low | 31.7 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | | | | -137.9 | 178 | -57.2 | 40.7 | -24.6 | 0 | 0 | 0 | 113.7 | | |
| 329 | T | 31.4 | Very low | 31.6 | Very low | 136 Ų | 136 | 131 Ų | 131 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | | | trans | -85.3 | 149.2 | 178 | -48 | 0 | 0 | 0 | 0 | 114.1 | | |
| 330 | V | 34.7 | Very low | 31.8 | Very low | 138 Ų | 138 | 130.3 Ų | 130.3 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | | | trans | -152.4 | 153.1 | 162.2 | -171.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 331 | A | 30.5 | Very low | 31.7 | Very low | 77 Ų | 77 | 130.5 Ų | 130.5 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | | | cis | -171.5 | 171.6 | -46.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 332 | N | 33.2 | Very low | 31.9 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | | | trans | 90.6 | 125.6 | 175.3 | -65.8 | -5.2 | 0 | 0 | 0 | 117.4 | | |
| 333 | I | 31.7 | Very low | 32 | Very low | 158 Ų | 158 | 127.5 Ų | 127.5 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | | | cis | 119.6 | 131.9 | 14 | -78.8 | 169.7 | 0 | 0 | 0 | 110 | | |
| 334 | G | 32.5 | Very low | 32.1 | Very low | 65 Ų | 65 | 125.4 Ų | 125.4 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | | | trans | 96.1 | 134.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 335 | D | 33.7 | Very low | 32.5 | Very low | 154 Ų | 154 | 123.9 Ų | 123.9 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | | | cis | -156.9 | 178.4 | -9.5 | -136.4 | -39.2 | 0 | 0 | 0 | 112.3 | | |
| 336 | T | 30.9 | Very low | 32.1 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | | | trans | -95 | 179.2 | -157.7 | 57.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 337 | S | 31.4 | Very low | 31.9 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | | | trans | 87 | 147.1 | 159.2 | 86.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 338 | S | 33.1 | Very low | 31.5 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | cis | -166.6 | 170 | -20.4 | 51.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 339 | Q | 31 | Very low | 31 | Very low | 170 Ų | 170 | 130.7 Ų | 130.7 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | trans | 80.9 | 111.7 | 164.7 | -61.9 | -61.5 | -19 | 0 | 0 | 120.1 | | |
| 340 | P | 32.1 | Very low | 30.7 | Very low | 122 Ų | 122 | 130 Ų | 130 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | | | trans | -95.3 | 164.6 | 161.2 | 38.4 | -31.7 | 0 | 0 | 0 | 112 | | |
| 341 | G | 30.9 | Very low | 30.5 | Very low | 69 Ų | 69 | 129 Ų | 129 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | | | trans | -169.6 | 117.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 342 | V | 32.7 | Very low | 30.5 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | | | trans | 59.1 | 95.6 | 142.5 | -164.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 343 | I | 27.9 | Very low | 30.2 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | | 73.4 | 128.2 | 80.2 | -65.8 | 170.7 | 0 | 0 | 0 | 113.6 | | |
| 344 | P | 32.7 | Very low | 29.9 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | | | trans | -91.5 | 157 | -172.4 | 37.2 | -36.8 | 0 | 0 | 0 | 113.9 | | |
| 345 | Q | 31.8 | Very low | 29.6 | Very low | 165 Ų | 165 | 132 Ų | 132 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | | | trans | -140.5 | 136.9 | 156.9 | -77.2 | -161.6 | -11.1 | 0 | 0 | 113.1 | | |
| 346 | S | 24.1 | Very low | 29.4 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | trans | -83.7 | 134.8 | 171.4 | 49.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 347 | Y | 30.7 | Very low | 29.7 | Very low | 206 Ų | 206 | 133.1 Ų | 133.1 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | | | trans | -137.5 | 136.2 | 154.6 | -81.1 | -74.8 | 0 | 0 | 0 | 112.3 | | |
| 348 | I | 24.7 | Very low | 29.5 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | | | trans | -82.9 | 161 | 173.3 | -64.9 | 159.1 | 0 | 0 | 0 | 108.4 | | |
| 349 | L | 28.4 | Very low | 29.4 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | | | trans | 145.8 | 99.4 | 147.2 | -77.4 | 162 | 0 | 0 | 0 | 109.5 | | |
| 350 | T | 25.9 | Very low | 29.4 | Very low | 121 Ų | 121 | 136 Ų | 136 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | | | | 77 | 147.8 | 101 | 32.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 351 | P | 31.5 | Very low | 29.5 | Very low | 117 Ų | 117 | 136 Ų | 136 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | | | trans | -89.4 | 166.6 | -161.6 | 37.6 | -37.6 | 0 | 0 | 0 | 112.9 | | |
| 352 | D | 30.6 | Very low | 29.3 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | | | trans | -146.5 | 149.7 | 158.6 | -133.8 | -26.2 | 0 | 0 | 0 | 114 | | |
| 353 | I | 25 | Very low | 29.2 | Very low | 158 Ų | 158 | 138 Ų | 138 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | | | trans | -124.2 | 115.4 | -173.8 | -63.9 | 168.7 | 0 | 0 | 0 | 108.8 | | |
| 354 | A | 27 | Very low | 29.3 | Very low | 91 Ų | 91 | 140.6 Ų | 140.6 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | trans | 176.9 | 154.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 355 | S | 26.4 | Very low | 29.2 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 66% | 0.657 | 76% | 0.756 | S | S | * | * | | | cis | -172.8 | 129.3 | -18 | -98.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 356 | F | 29.1 | Very low | 29 | Very low | 181 Ų | 181 | 139.2 Ų | 139.2 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | | | trans | 61.4 | 170.3 | 145 | -75 | -75 | 0 | 0 | 0 | 119.4 | | |
| 357 | P | 35.8 | Very low | 29.1 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | | | cis | -133.3 | 154.8 | 13.7 | 41.8 | -23.7 | 0 | 0 | 0 | 119.8 | | |
| 358 | Y | 28.4 | Very low | 29.1 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | | | trans | 42 | 128.8 | 141.4 | -103.8 | -110.6 | 0 | 0 | 0 | 121.1 | | |
| 359 | S | 31.6 | Very low | 29.2 | Very low | 94 Ų | 94 | 132.3 Ų | 132.3 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | | | | -170.5 | 140.9 | 66.6 | -64.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 360 | Q | 31.2 | Very low | 29.1 | Very low | 162 Ų | 162 | 131.6 Ų | 131.6 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | | | trans | 44.9 | 135.6 | 138.6 | -62 | 179.4 | -1.4 | 0 | 0 | 120.3 | | |
| 361 | T | 32.5 | Very low | 29 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | cis | -165.3 | 160 | 16.1 | 2.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 362 | S | 28.1 | Very low | 28.8 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | 11.7 | 148.1 | 154.3 | -70.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 363 | E | 30.8 | Very low | 28.6 | Very low | 142 Ų | 142 | 131.7 Ų | 131.7 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | | | cis | -164.4 | 160.1 | 7.7 | -130.2 | 177.2 | -108.9 | 0 | 0 | 112.4 | | |
| 364 | R | 29.9 | Very low | 28.7 | Very low | 207 Ų | 207 | 131.4 Ų | 131.4 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | | | trans | 66.8 | 105.2 | 155.7 | -64.3 | -171.7 | -153.9 | -153.6 | 3.5 | 123.8 | | |
| 365 | V | 29 | Very low | 28.7 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | | | | 69.3 | 129.4 | 114.5 | 174.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 366 | S | 27.9 | Very low | 28.8 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | | | trans | 83.2 | 122.4 | 165 | -67.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 367 | G | 26.3 | Very low | 28.6 | Very low | 74 Ų | 74 | 136.6 Ų | 136.6 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | | | trans | -80.2 | -161.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 368 | P | 31 | Very low | 28.2 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | | | cis | -139.2 | -160.6 | 29.4 | 43.3 | -24.5 | 0 | 0 | 0 | 115.2 | | |
| 369 | S | 26.3 | Very low | 28.4 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | 107 | 78.4 | 159.7 | -170.2 | 0 | 0 | 0 | 0 | 118.3 | | |
| 370 | T | 27.1 | Very low | 28.1 | Very low | 138 Ų | 138 | 139 Ų | 139 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | | | trans | -80.8 | 117.1 | 164.9 | -23.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 371 | Q | 24.1 | Very low | 28 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | -80.6 | 150.3 | 152.4 | -78.8 | -175.5 | -41.1 | 0 | 0 | 109.1 | | |
| 372 | P | 27.7 | Very low | 27.8 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | trans | -121.5 | 128.6 | 142.1 | 12.5 | 6.9 | 0 | 0 | 0 | 111.6 | | |
| 373 | V | 26 | Very low | 27.8 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 66% | 0.661 | 79% | 0.792 | S | S | * | * | | | trans | -76.4 | 145.8 | 160.7 | 174.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 374 | H | 27.3 | Very low | 27.5 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | | | | 170 | 133.3 | 125.7 | -98.4 | -93.1 | 0 | 0 | 0 | 114.4 | | |
| 375 | Q | 25.6 | Very low | 27.4 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | 44.8 | 111.6 | 149 | -69.1 | 174 | -8.1 | 0 | 0 | 121.4 | | |
| 376 | S | 29.1 | Very low | 27.4 | Very low | 119 Ų | 119 | 135 Ų | 135 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | | -154.3 | 116.3 | 119.1 | -82.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 377 | Q | 25.4 | Very low | 27.3 | Very low | 187 Ų | 187 | 135.6 Ų | 135.6 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | -76.7 | 125.7 | 169.7 | -64.1 | 177.8 | 7.7 | 0 | 0 | 108.4 | | |
| 378 | L | 27.8 | Very low | 27.4 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | | | trans | -113.9 | 125.4 | 165 | -86.3 | 165.1 | 0 | 0 | 0 | 109.2 | | |
| 379 | L | 31.2 | Very low | 27.4 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | | | trans | -65.8 | 151.4 | -165.7 | -83.4 | 63.6 | 0 | 0 | 0 | 112.9 | G381 | L379-G381 PolarHBondContact O-N 2.68Š|
| 380 | P | 26 | Very low | 27.6 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 100.8 | 167.9 | 30.2 | -32.9 | 0 | 0 | 0 | 109.9 | | |
| 381 | G | 28.8 | Very low | 27.9 | Very low | 70 Ų | 70 | 135.7 Ų | 135.7 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -178.8 | -13 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | L379 T383 | L379-G381 PolarHBondContact O-N 2.68Å; G381-T383 PolarHBondContact O-N 2.86Å |
| 382 | T | 28.8 | Very low | 28.4 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | | | trans | -86.8 | 99.2 | -176.9 | 45 | 0 | 0 | 0 | 0 | 112.3 | V384 | T382-V384 PolarHBondContact O-N 2.64Š|
| 383 | T | 27.7 | Very low | 29 | Very low | 124 Ų | 124 | 129 Ų | 129 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | | | trans | -65 | 127.3 | 168.4 | 35.6 | 0 | 0 | 0 | 0 | 110.7 | G381 L385 | G381-T383 PolarHBondContact O-N 2.86Å; T383-L385 PolarHBondContact O-N 3.37Å |
| 384 | V | 24.7 | Very low | 29.6 | Very low | 144 Ų | 144 | 130.4 Ų | 130.4 | 87% | 0.873 | 75% | 0.75 | S | S | * | * | | | trans | -64.9 | 107.1 | 173.9 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | T382 | T382-V384 PolarHBondContact O-N 2.64Š|
| 385 | L | 28.4 | Very low | 30.6 | Very low | 158 Ų | 158 | 126.5 Ų | 126.5 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -69 | 133.8 | 173.1 | -72.9 | 170 | 0 | 0 | 0 | 110.1 | T383 | T383-L385 PolarHBondContact O-N 3.37Š|
| 386 | Q | 27.8 | Very low | 32.1 | Very low | 153 Ų | 153 | 123 Ų | 123 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 149.6 | 175.6 | -69 | -178.5 | -9 | 0 | 0 | 110.8 | Q388 | Q386-Q388 PolarHBondContact O-N 2.8Š|
| 387 | P | 25.7 | Very low | 33.7 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 86% | 0.857 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 117 | 177.9 | 29.1 | -33.7 | 0 | 0 | 0 | 110 | | |
| 388 | Q | 29.4 | Very low | 35.4 | Very low | 151 Ų | 151 | 118.4 Ų | 118.4 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | | | trans | -122.6 | 123.4 | 177.8 | -69 | -174.9 | -0.6 | 0 | 0 | 110.7 | Q386 | Q386-Q388 PolarHBondContact O-N 2.8Š|
| 389 | V | 31.5 | Very low | 36.8 | Very low | 124 Ų | 124 | 114.3 Ų | 114.3 | 75% | 0.752 | 67% | 0.672 | S | S | * | * | | | trans | 64.6 | 106.2 | 168.4 | -165.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 390 | A | 30.3 | Very low | 38.1 | Very low | 91 Ų | 91 | 114.6 Ų | 114.6 | 75% | 0.752 | 67% | 0.667 | S | S | * | * | | | trans | -80.4 | 122.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | V392 | A390-V392 PolarHBondContact O-N 3.28Š|
| 391 | I | 32.2 | Very low | 39.7 | Very low | 92 Ų | 92 | 109.2 Ų | 109.2 | 47% | 0.472 | 64% | 0.635 | S | S | . | * | | | trans | -79.7 | 110.3 | 174.6 | -50.6 | 178.6 | 0 | 0 | 0 | 108.4 | T393 L412 | I391-T393 HydrophobicContact CG2-CG2 3.58Å; I391-T393 PolarHBondContact O-N 3.06Å; I391-L412 HydrophobicContact CD1-CD1 4.05Å |
| 392 | V | 36 | Very low | 41.3 | Very low | 127 Ų | 127 | 108.9 Ų | 108.9 | 77% | 0.77 | 62% | 0.616 | S | S | * | * | | | trans | -85 | 84.9 | 169.5 | -177.3 | 0 | 0 | 0 | 0 | 108.2 | A390 V394 | A390-V392 PolarHBondContact O-N 3.28Å; V392-V394 PolarHBondContact O-N 2.75Å |
| 393 | T | 39.5 | Very low | 42.8 | Very low | 28 Ų | 28 | 108.9 Ų | 108.9 | 17% | 0.172 | 61% | 0.61 | C | S | . | * | | | trans | -74.5 | 111.1 | 172.2 | 57.9 | 0 | 0 | 0 | 0 | 109.3 | I391 D395 I398 L399 I402 | I391-T393 HydrophobicContact CG2-CG2 3.58Å; I391-T393 PolarHBondContact O-N 3.06Å; T393-D395 PolarHBondContact O-N 3.4Å; T393-I398 HydrophobicContact CG2-CB 4.39Å; T393-I398 HydrophobicContact CG2-CG2 3.76Å; T393-L399 VanDerWaalsContact OG1-CD1 3.26Å; T393-L399 WeakPolarHBondContact OG1-CD1 3.32Å; T393-I402 HydrophobicContact CG2-CD1 3.79Å |
| 394 | V | 39.4 | Very low | 44.5 | Very low | 138 Ų | 138 | 106.9 Ų | 106.9 | 84% | 0.836 | 60% | 0.601 | S | S | * | * | | | trans | -74.2 | -17.1 | 177.4 | -149.1 | 0 | 0 | 0 | 0 | 112 | V392 | V392-V394 PolarHBondContact O-N 2.75Š|
| 395 | D | 46.5 | Very low | 45.6 | Very low | 70 Ų | 70 | 103 Ų | 103 | 37% | 0.374 | 59% | 0.59 | S | S | . | * | | | trans | -85.8 | 121.1 | 179.4 | -171.4 | -19.3 | 0 | 0 | 0 | 111.3 | T393 E397 I398 L399 | T393-D395 PolarHBondContact O-N 3.4Å; D395-E397 VanDerWaalsContact C-N 3.29Å; D395-E397 PolarHBondContact O-N 3.28Å; D395-E397 WeakPolarHBondContact OD1-CB 3.15Å; D395-E397 PolarHBondContact OD1-N 3.15Å; D395-I398 HydrophobicContact CB-CB 4.23Å; D395-I398 HydrophobicContact CB-CD1 3.89Å; D395-I398 HydrophobicContact CB-CG1 3.9Å; D395-I398 PolarHBondContact O-N 3.18Å; D395-L399 PolarHBondContact O-N 3.02Å; D395-L399 VanDerWaalsContact O-N 3.08Å |
| 396 | P | 58.3 | Low | 46.7 | Very low | 96 Ų | 96 | 99.4 Ų | 99.4 | 62% | 0.623 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.5 | -27.8 | 176.2 | 27.9 | -35.6 | 0 | 0 | 0 | 113.6 | K400 | P396-K400 WeakPolarHBondContact O-CB 3.4Å; P396-K400 PolarHBondContact O-N 2.84Å |
| 397 | E | 62.2 | Low | 47.6 | Very low | 133 Ų | 133 | 96.2 Ų | 96.2 | 62% | 0.621 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.3 | -45.7 | 176.9 | -70.6 | -81 | 118.7 | 0 | 0 | 110.6 | D395 K400 A401 | D395-E397 VanDerWaalsContact C-N 3.29Å; D395-E397 PolarHBondContact O-N 3.28Å; D395-E397 WeakPolarHBondContact OD1-CB 3.15Å; D395-E397 PolarHBondContact OD1-N 3.15Å; E397-K400 WeakPolarHBondContact O-CB 3.22Å; E397-K400 PolarHBondContact O-N 2.85Å; E397-A401 PolarHBondContact O-N 2.65Å |
| 398 | I | 61 | Low | 48.6 | Very low | 76 Ų | 76 | 94.5 Ų | 94.5 | 39% | 0.39 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.7 | -41.8 | 178.4 | -54.1 | 178.1 | 0 | 0 | 0 | 110.5 | T393 D395 K400 A401 I402 | T393-I398 HydrophobicContact CG2-CB 4.39Å; T393-I398 HydrophobicContact CG2-CG2 3.76Å; D395-I398 HydrophobicContact CB-CB 4.23Å; D395-I398 HydrophobicContact CB-CD1 3.89Å; D395-I398 HydrophobicContact CB-CG1 3.9Å; D395-I398 PolarHBondContact O-N 3.18Å; I398-K400 VanDerWaalsContact C-N 3.25Å; I398-K400 PolarHBondContact O-N 3.47Å; I398-A401 PolarHBondContact O-N 3.1Å; I398-I402 HydrophobicContact CG2-CD1 4Å; I398-I402 WeakPolarHBondContact O-CG1 3.1Å; I398-I402 PolarHBondContact O-N 3.02Å |
| 399 | L | 57.4 | Low | 49.3 | Very low | 83 Ų | 83 | 91.1 Ų | 91.1 | 44% | 0.435 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59 | -39.6 | 174.1 | -163 | 97.6 | 0 | 0 | 0 | 111 | T393 D395 I402 L403 | T393-L399 VanDerWaalsContact OG1-CD1 3.26Å; T393-L399 WeakPolarHBondContact OG1-CD1 3.32Å; D395-L399 PolarHBondContact O-N 3.02Å; D395-L399 VanDerWaalsContact O-N 3.08Å; L399-I402 PolarHBondContact O-N 2.85Å; L399-L403 HydrophobicContact CD2-CD1 3.88Å; L399-L403 HydrophobicContact CG-CD1 3.96Å; L399-L403 VanDerWaalsContact O-CB 3.31Å; L399-L403 WeakPolarHBondContact O-CB 3.49Å; L399-L403 WeakPolarHBondContact O-CG 3.23Å; L399-L403 PolarHBondContact O-N 2.81Å |
| 400 | K | 59.6 | Low | 50 | Low | 140 Ų | 140 | 92.4 Ų | 92.4 | 61% | 0.609 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.8 | -36.3 | 177.2 | -162.1 | -179.4 | -172.6 | -172.2 | 0 | 112.3 | P396 E397 I398 S404 | P396-K400 WeakPolarHBondContact O-CB 3.4Å; P396-K400 PolarHBondContact O-N 2.84Å; E397-K400 WeakPolarHBondContact O-CB 3.22Å; E397-K400 PolarHBondContact O-N 2.85Å; I398-K400 VanDerWaalsContact C-N 3.25Å; I398-K400 PolarHBondContact O-N 3.47Å; K400-S404 WeakPolarHBondContact O-CB 3.35Å; K400-S404 PolarHBondContact O-N 3.36Å; K400-S404 PolarHBondContact O-OG 3.22Å |
| 401 | A | 59.6 | Low | 50.5 | Low | 28 Ų | 28 | 91.7 Ų | 91.7 | 23% | 0.231 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -67.9 | -38.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E397 I398 S404 A406 F407 | E397-A401 PolarHBondContact O-N 2.65Å; I398-A401 PolarHBondContact O-N 3.1Å; A401-S404 WeakPolarHBondContact CA-OG 3.4Å; A401-S404 PolarHBondContact O-OG 2.83Å; A401-A406 PolarHBondContact O-N 3.39Å; A401-F407 HydrophobicContact CB-CB 4.44Å; A401-F407 HydrophobicContact CB-CD2 4.39Å; A401-F407 PolarHBondContact O-N 3.3Å |
| 402 | I | 60.5 | Low | 50.9 | Low | 62 Ų | 62 | 91.5 Ų | 91.5 | 32% | 0.318 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.6 | -46.3 | 174.1 | -67.4 | 166.9 | 0 | 0 | 0 | 110.6 | T393 I398 L399 G405 F407 | T393-I402 HydrophobicContact CG2-CD1 3.79Å; I398-I402 HydrophobicContact CG2-CD1 4Å; I398-I402 WeakPolarHBondContact O-CG1 3.1Å; I398-I402 PolarHBondContact O-N 3.02Å; L399-I402 PolarHBondContact O-N 2.85Å; I402-G405 PolarHBondContact O-N 2.77Å; I402-F407 HydrophobicContact CG1-CB 4.23Å; I402-F407 HydrophobicContact CG1-CG 4.47Å |
| 403 | L | 61.9 | Low | 50.8 | Low | 137 Ų | 137 | 91.3 Ų | 91.3 | 72% | 0.717 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -74.4 | -23.8 | -177.5 | -70 | 171.3 | 0 | 0 | 0 | 114.2 | L399 G405 | L399-L403 HydrophobicContact CD2-CD1 3.88Å; L399-L403 HydrophobicContact CG-CD1 3.96Å; L399-L403 VanDerWaalsContact O-CB 3.31Å; L399-L403 WeakPolarHBondContact O-CB 3.49Å; L399-L403 WeakPolarHBondContact O-CG 3.23Å; L399-L403 PolarHBondContact O-N 2.81Å; L403-G405 VanDerWaalsContact C-N 3.29Å |
| 404 | S | 62.7 | Low | 50.5 | Low | 82 Ų | 82 | 97.7 Ų | 97.7 | 57% | 0.573 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -3.5 | 174.9 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | K400 A401 A406 | K400-S404 WeakPolarHBondContact O-CB 3.35Å; K400-S404 PolarHBondContact O-N 3.36Å; K400-S404 PolarHBondContact O-OG 3.22Å; A401-S404 WeakPolarHBondContact CA-OG 3.4Å; A401-S404 PolarHBondContact O-OG 2.83Å; S404-A406 PolarHBondContact O-N 2.75Å; S404-A406 WeakPolarHBondContact OG-CB 3.03Å |
| 405 | G | 47.3 | Very low | 50 | Low | 62 Ų | 62 | 96.2 Ų | 96.2 | 64% | 0.639 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 2.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I402 L403 F407 | I402-G405 PolarHBondContact O-N 2.77Å; L403-G405 VanDerWaalsContact C-N 3.29Å; G405-F407 PolarHBondContact O-N 3.42Å |
| 406 | A | 52 | Low | 49.3 | Very low | 82 Ų | 82 | 98.4 Ų | 98.4 | 68% | 0.678 | 56% | 0.56 | S | S | * | * | | | trans | -68.2 | -24.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A401 S404 | A401-A406 PolarHBondContact O-N 3.39Å; S404-A406 PolarHBondContact O-N 2.75Å; S404-A406 WeakPolarHBondContact OG-CB 3.03Å |
| 407 | F | 45.9 | Very low | 47.9 | Very low | 87 Ų | 87 | 100.9 Ų | 100.9 | 38% | 0.382 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -91.8 | 110.3 | 175.9 | -148.3 | -81.6 | 0 | 0 | 0 | 111.4 | A401 I402 G405 T409 L412 | A401-F407 HydrophobicContact CB-CB 4.44Å; A401-F407 HydrophobicContact CB-CD2 4.39Å; A401-F407 PolarHBondContact O-N 3.3Å; I402-F407 HydrophobicContact CG1-CB 4.23Å; I402-F407 HydrophobicContact CG1-CG 4.47Å; G405-F407 PolarHBondContact O-N 3.42Å; F407-T409 PolarHBondContact O-N 3.07Å; F407-L412 HydrophobicContact CD1-CD1 4.12Å; F407-L412 HydrophobicContact CE1-CD1 3.55Å; F407-L412 HydrophobicContact CE1-CG 3.95Å; F407-L412 HydrophobicContact CZ-CD1 4.41Å |
| 408 | N | 46.8 | Very low | 46.4 | Very low | 96 Ų | 96 | 102.3 Ų | 102.3 | 51% | 0.513 | 58% | 0.577 | S | S | . | * | | | trans | -68.9 | 103.1 | 173.6 | -177.2 | 0.7 | 0 | 0 | 0 | 110.3 | Q410 A411 | N408-Q410 PolarHBondContact O-N 2.84Å; N408-Q410 VanDerWaalsContact O-N 3.17Å; N408-Q410 VanDerWaalsContact OD1-CB 3.26Å; N408-Q410 WeakPolarHBondContact OD1-CB 3.43Å; N408-Q410 WeakPolarHBondContact OD1-CG 3.2Å; N408-Q410 PolarHBondContact OD1-N 2.92Å; N408-A411 WeakPolarHBondContact O-CB 3.32Å; N408-A411 PolarHBondContact O-N 3.31Å |
| 409 | T | 44.1 | Very low | 44.8 | Very low | 80 Ų | 80 | 104.1 Ų | 104.1 | 49% | 0.491 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.1 | -19.6 | 179.3 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | F407 A411 L412 F413 | F407-T409 PolarHBondContact O-N 3.07Å; T409-A411 PolarHBondContact O-N 3.4Å; T409-L412 PolarHBondContact O-N 3.17Å; T409-F413 WeakPolarHBondContact O-CD2 3.34Å |
| 410 | Q | 46.1 | Very low | 43.4 | Very low | 151 Ų | 151 | 104.9 Ų | 104.9 | 71% | 0.706 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.6 | -21.1 | 173.2 | -55.3 | -175.9 | 1.2 | 0 | 0 | 112.8 | N408 F413 | N408-Q410 PolarHBondContact O-N 2.84Å; N408-Q410 VanDerWaalsContact O-N 3.17Å; N408-Q410 VanDerWaalsContact OD1-CB 3.26Å; N408-Q410 WeakPolarHBondContact OD1-CB 3.43Å; N408-Q410 WeakPolarHBondContact OD1-CG 3.2Å; N408-Q410 PolarHBondContact OD1-N 2.92Å; Q410-F413 CarbonylContact O-C 3.39Å; Q410-F413 PolarHBondContact O-N 3.47Å |
| 411 | A | 41.8 | Very low | 41.9 | Very low | 75 Ų | 75 | 103.5 Ų | 103.5 | 62% | 0.62 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -75 | -26.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N408 T409 F413 | N408-A411 WeakPolarHBondContact O-CB 3.32Å; N408-A411 PolarHBondContact O-N 3.31Å; T409-A411 PolarHBondContact O-N 3.4Å; A411-F413 VanDerWaalsContact C-N 3.34Å |
| 412 | L | 39.9 | Very low | 40.7 | Very low | 89 Ų | 89 | 108.1 Ų | 108.1 | 47% | 0.466 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -77.7 | -20.5 | 174.1 | -92.1 | 163 | 0 | 0 | 0 | 113 | I391 F407 T409 | I391-L412 HydrophobicContact CD1-CD1 4.05Å; F407-L412 HydrophobicContact CD1-CD1 4.12Å; F407-L412 HydrophobicContact CE1-CD1 3.55Å; F407-L412 HydrophobicContact CE1-CG 3.95Å; F407-L412 HydrophobicContact CZ-CD1 4.41Å; T409-L412 PolarHBondContact O-N 3.17Å |
| 413 | F | 34.9 | Very low | 39.2 | Very low | 123 Ų | 123 | 114.8 Ų | 114.8 | 54% | 0.539 | 67% | 0.673 | S | S | . | * | | | trans | -124.7 | 75.2 | -179.8 | -60 | -73.6 | 0 | 0 | 0 | 110.1 | T409 Q410 A411 S415 | T409-F413 WeakPolarHBondContact O-CD2 3.34Å; Q410-F413 CarbonylContact O-C 3.39Å; Q410-F413 PolarHBondContact O-N 3.47Å; A411-F413 VanDerWaalsContact C-N 3.34Å; F413-S415 PolarHBondContact O-N 2.91Å |
| 414 | Q | 33.4 | Very low | 37.9 | Very low | 161 Ų | 161 | 114.2 Ų | 114.2 | 75% | 0.752 | 68% | 0.678 | S | S | * | * | | | trans | -58.8 | 108.8 | 158.6 | -79.9 | -168.1 | 9.3 | 0 | 0 | 108 | V416 | Q414-V416 WeakPolarHBondContact O-CG2 3.42Å; Q414-V416 PolarHBondContact O-N 2.75Å |
| 415 | S | 29.1 | Very low | 36.3 | Very low | 107 Ų | 107 | 114 Ų | 114 | 75% | 0.748 | 69% | 0.689 | S | S | * | * | | | trans | -55.1 | 101.2 | 180 | -54.7 | 0 | 0 | 0 | 0 | 110.2 | F413 N417 | F413-S415 PolarHBondContact O-N 2.91Å; S415-N417 PolarHBondContact O-N 3.16Å |
| 416 | V | 30.7 | Very low | 35.4 | Very low | 116 Ų | 116 | 118.6 Ų | 118.6 | 70% | 0.703 | 70% | 0.697 | S | S | * | * | | | trans | -73.9 | 70 | 174 | -166.9 | 0 | 0 | 0 | 0 | 108.5 | Q414 M418 | Q414-V416 WeakPolarHBondContact O-CG2 3.42Å; Q414-V416 PolarHBondContact O-N 2.75Å; V416-M418 VanDerWaalsContact C-N 3.26Å; V416-M418 HydrophobicContact CG1-CE 3.6Å; V416-M418 HydrophobicContact CG1-CG 4.08Å; V416-M418 PolarHBondContact O-N 2.82Å |
| 417 | N | 30 | Very low | 34.1 | Very low | 148 Ų | 148 | 121.1 Ų | 121.1 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | | | trans | -78.8 | 78.9 | -174.4 | -151.7 | 10.7 | 0 | 0 | 0 | 108.3 | S415 S419 | S415-N417 PolarHBondContact O-N 3.16Å; N417-S419 PolarHBondContact O-N 3.48Å |
| 418 | M | 29.4 | Very low | 33.3 | Very low | 164 Ų | 164 | 126 Ų | 126 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | | | trans | -67.2 | 76 | -179.8 | -74.6 | -72.2 | 176 | 0 | 0 | 111 | V416 S420 | V416-M418 VanDerWaalsContact C-N 3.26Å; V416-M418 HydrophobicContact CG1-CE 3.6Å; V416-M418 HydrophobicContact CG1-CG 4.08Å; V416-M418 PolarHBondContact O-N 2.82Å; M418-S420 PolarHBondContact O-N 3Å |
| 419 | S | 28.6 | Very low | 32.2 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | | | trans | -72.4 | 106.3 | 166.9 | -171.8 | 0 | 0 | 0 | 0 | 109.1 | N417 | N417-S419 PolarHBondContact O-N 3.48Š|
| 420 | S | 27.7 | Very low | 31.4 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | | | trans | -68.8 | 137.9 | 173.5 | 54 | 0 | 0 | 0 | 0 | 111.5 | M418 | M418-S420 PolarHBondContact O-N 3Š|
| 421 | S | 28.3 | Very low | 30.5 | Very low | 112 Ų | 112 | 125.2 Ų | 125.2 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 64.8 | 81.5 | 162.2 | 62.2 | 0 | 0 | 0 | 0 | 119.4 | | |
| 422 | S | 33.1 | Very low | 29.8 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | | | | -168.3 | 131.2 | 121.3 | 54.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 423 | K | 29.6 | Very low | 29.3 | Very low | 203 Ų | 203 | 132.4 Ų | 132.4 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | | | trans | -90.8 | 166.9 | 164.3 | -94.1 | -175.4 | 176.3 | -177.3 | 0 | 108.9 | | |
| 424 | P | 34.4 | Very low | 29.1 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | | | cis | -129.2 | 165.7 | -22.9 | 36.1 | -20.2 | 0 | 0 | 0 | 112.8 | | |
| 425 | G | 28.7 | Very low | 29 | Very low | 79 Ų | 79 | 131.5 Ų | 131.5 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | | | trans | -163.7 | 115 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 426 | I | 28.3 | Very low | 29 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | | | trans | -96.1 | 153.1 | -177.8 | -49.5 | 167.6 | 0 | 0 | 0 | 108.2 | | |
| 427 | N | 25.3 | Very low | 29.1 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | trans | 69 | 110.4 | 178.6 | -68.6 | -14.5 | 0 | 0 | 0 | 117.2 | | |
| 428 | M | 28.4 | Very low | 29.3 | Very low | 189 Ų | 189 | 139.3 Ų | 139.3 | 93% | 0.931 | 80% | 0.801 | S | S | * | * | | | | -142.1 | 79.2 | 122.9 | -95 | -163 | -78.9 | 0 | 0 | 109.5 | | |
| 429 | T | 24.9 | Very low | 29.5 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | | | trans | -67.2 | 165.2 | 139 | 45.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 430 | S | 26.4 | Very low | 29.8 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | trans | 71.3 | 158.5 | 175.7 | 88.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 431 | S | 27.6 | Very low | 29.9 | Very low | 96 Ų | 96 | 142.7 Ų | 142.7 | 67% | 0.671 | 81% | 0.812 | S | S | * | * | | | cis | 177.2 | 154.4 | -22.9 | -91.8 | 0 | 0 | 0 | 0 | 102.5 | N433 | S431-N433 PolarHBondContact O-N 3.02Å; S431-N433 VanDerWaalsContact O-N 3.16Å |
| 432 | I | 28 | Very low | 30.2 | Very low | 148 Ų | 148 | 142.8 Ų | 142.8 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | | | trans | -16.2 | 111.6 | 156.1 | -59.8 | 160.3 | 0 | 0 | 0 | 113.2 | L434 | I432-L434 HydrophobicContact CG2-CD1 3.49Å; I432-L434 VanDerWaalsContact CG2-CD1 3.49Å; I432-L434 PolarHBondContact O-N 3.37Å |
| 433 | N | 28.8 | Very low | 29.9 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | | | trans | -71 | 93 | 168.4 | -81.1 | -58 | 0 | 0 | 0 | 109.2 | S431 | S431-N433 PolarHBondContact O-N 3.02Å; S431-N433 VanDerWaalsContact O-N 3.16Å |
| 434 | L | 30.5 | Very low | 30.1 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -95 | 145.3 | 154.8 | -106.6 | 73.9 | 0 | 0 | 0 | 109 | I432 T436 | I432-L434 HydrophobicContact CG2-CD1 3.49Å; I432-L434 VanDerWaalsContact CG2-CD1 3.49Å; I432-L434 PolarHBondContact O-N 3.37Å; L434-T436 PolarHBondContact O-N 2.93Å |
| 435 | P | 31.4 | Very low | 29.8 | Very low | 125 Ų | 125 | 142.2 Ų | 142.2 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 129 | -170 | 28.7 | -34.5 | 0 | 0 | 0 | 112.6 | Q437 | P435-Q437 PolarHBondContact O-N 3.48Š|
| 436 | T | 28.2 | Very low | 29.8 | Very low | 141 Ų | 141 | 143.5 Ų | 143.5 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 117.7 | 169.8 | 38.6 | 0 | 0 | 0 | 0 | 111.9 | L434 | L434-T436 PolarHBondContact O-N 2.93Š|
| 437 | Q | 33.3 | Very low | 29.9 | Very low | 191 Ų | 191 | 141.8 Ų | 141.8 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 153.9 | 148.8 | -83 | -169.9 | -12.9 | 0 | 0 | 110 | P435 | P435-Q437 PolarHBondContact O-N 3.48Š|
| 438 | K | 35.1 | Very low | 30.1 | Very low | 202 Ų | 202 | 141.1 Ų | 141.1 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 152.2 | -168 | -68 | 177.1 | 177.8 | 177.5 | 0 | 112.2 | | |
| 439 | P | 32.3 | Very low | 30.1 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 138 | 171.6 | 34 | -32.1 | 0 | 0 | 0 | 110.9 | | |
| 440 | D | 34.7 | Very low | 30.1 | Very low | 167 Ų | 167 | 139 Ų | 139 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | | | trans | -110.9 | 143.9 | 161.3 | -90.5 | -45 | 0 | 0 | 0 | 109.9 | | |
| 441 | N | 30.1 | Very low | 30.2 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | | | trans | -82.7 | 136.4 | -173 | -64.7 | -60.2 | 0 | 0 | 0 | 112.4 | | |
| 442 | S | 35.3 | Very low | 30.2 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | -155.3 | 127.5 | 138.2 | 47.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 443 | N | 26.9 | Very low | 30.4 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | | | trans | -73.8 | 133.8 | 165.1 | -69.3 | -35.3 | 0 | 0 | 0 | 108.8 | | |
| 444 | T | 33.3 | Very low | 30.6 | Very low | 136 Ų | 136 | 142.4 Ų | 142.4 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | | | trans | -155 | 148.1 | 135.2 | 5.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 445 | D | 28.5 | Very low | 30.5 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | | | trans | -60.3 | 172.6 | -176 | -60.3 | -84.8 | 0 | 0 | 0 | 116.5 | | |
| 446 | S | 29.6 | Very low | 30.6 | Very low | 105 Ų | 105 | 146 Ų | 146 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | trans | 90.2 | 113.7 | 135 | 67.1 | 0 | 0 | 0 | 0 | 120.5 | | |
| 447 | V | 29.2 | Very low | 30.8 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | | | trans | 76 | 122.8 | 138.1 | 179.5 | 0 | 0 | 0 | 0 | 118.4 | | |
| 448 | P | 30.6 | Very low | 30.9 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | trans | -85.5 | 143.2 | 171.1 | 35.3 | -32.7 | 0 | 0 | 0 | 111.4 | | |
| 449 | L | 27.9 | Very low | 31 | Very low | 158 Ų | 158 | 139 Ų | 139 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | | | trans | -145.5 | 133.5 | 165.2 | -106.9 | 159.6 | 0 | 0 | 0 | 112 | | |
| 450 | S | 25.2 | Very low | 31 | Very low | 96 Ų | 96 | 141.7 Ų | 141.7 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | | | trans | -62.7 | 166 | 174.4 | 48.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 451 | V | 28.3 | Very low | 31.1 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | | | trans | 159.2 | 101.7 | 133.4 | 157.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 452 | T | 27.4 | Very low | 31.3 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | | 77 | 114.8 | 94.2 | -48.6 | 0 | 0 | 0 | 0 | 116 | | |
| 453 | R | 31.5 | Very low | 31.1 | Very low | 242 Ų | 242 | 138.6 Ų | 138.6 | 91% | 0.913 | 76% | 0.762 | S | S | * | * | | | trans | -164.2 | 151.1 | 144.9 | -79.4 | -155.3 | 178.6 | 163.3 | 0.5 | 110.4 | | |
| 454 | T | 33.5 | Very low | 31.4 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 61% | 0.607 | 76% | 0.759 | S | S | * | * | | | cis | -169.1 | 119.3 | -28.3 | -63.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 455 | Y | 28.4 | Very low | 31.3 | Very low | 218 Ų | 218 | 136.5 Ų | 136.5 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | | | trans | 56.7 | 154.3 | 157.3 | -74 | -117.9 | 0 | 0 | 0 | 119.1 | | |
| 456 | C | 32.9 | Very low | 31.6 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | | | cis | -132.9 | 156.9 | 24.9 | -72.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 457 | Q | 33.1 | Very low | 31.9 | Very low | 170 Ų | 170 | 136 Ų | 136 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | | | trans | -87 | -169.4 | 170.8 | -111.6 | -171.2 | -18 | 0 | 0 | 112 | | |
| 458 | P | 35.4 | Very low | 32.1 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | | | cis | -123.3 | -173.4 | -6.9 | 31.9 | -8.6 | 0 | 0 | 0 | 112 | | |
| 459 | S | 36.6 | Very low | 32.3 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | | | cis | -156.4 | 154.4 | 28.7 | -49.3 | 0 | 0 | 0 | 0 | 113 | | |
| 460 | E | 33 | Very low | 32.4 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | | | trans | -100.8 | -165 | -179.5 | -132.1 | -160.7 | 140.1 | 0 | 0 | 110.2 | | |
| 461 | P | 35.5 | Very low | 32.9 | Very low | 78 Ų | 78 | 140.5 Ų | 140.5 | 51% | 0.506 | 77% | 0.772 | S | S | . | * | | | cis | -143.3 | -171.5 | -14 | 40.2 | -20 | 0 | 0 | 0 | 117 | | |
| 462 | Q | 34.8 | Very low | 33 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | 74.1 | 145.9 | 144.5 | -83.6 | 169.6 | 58.6 | 0 | 0 | 120.2 | | |
| 463 | N | 30.9 | Very low | 33.4 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | cis | -165.7 | -174.7 | -14.7 | -145 | -17.5 | 0 | 0 | 0 | 110.6 | | |
| 464 | V | 34.6 | Very low | 33.5 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | | | trans | 104.9 | 126.3 | 160.4 | -171.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 465 | V | 30.7 | Very low | 33.7 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -120.5 | 140.6 | -173.1 | 167.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 466 | V | 35.2 | Very low | 33.8 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | | | trans | -153.5 | 130.3 | 150 | -173.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 467 | P | 34.5 | Very low | 34.1 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 63% | 0.63 | 77% | 0.772 | S | S | * | * | | | trans | -118.8 | 178 | 169.6 | 40.9 | -30.5 | 0 | 0 | 0 | 114.7 | | |
| 468 | E | 33.1 | Very low | 34 | Very low | 185 Ų | 185 | 137.6 Ų | 137.6 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | | | trans | 76.9 | 125.7 | 162.8 | -57.6 | -167.5 | 170.2 | 0 | 0 | 121.8 | | |
| 469 | S | 35.2 | Very low | 34.1 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | | | | -172.9 | 143.6 | 129.5 | 28.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 470 | S | 29.7 | Very low | 34.1 | Very low | 120 Ų | 120 | 142 Ų | 142 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | trans | -137.1 | 121.7 | -168.3 | -56 | 0 | 0 | 0 | 0 | 112.5 | | |
| 471 | I | 36.6 | Very low | 34.2 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | trans | -153.4 | 116.3 | 170.9 | -40.2 | 176.6 | 0 | 0 | 0 | 107.1 | | |
| 472 | S | 30.9 | Very low | 34 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | | | | 52.2 | 140.4 | 83.7 | -148.1 | 0 | 0 | 0 | 0 | 114 | | |
| 473 | S | 35.8 | Very low | 33.9 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | cis | -159.5 | 167.2 | 16.8 | -25.9 | 0 | 0 | 0 | 0 | 113 | | |
| 474 | D | 32 | Very low | 33.9 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | -22.5 | 145.6 | 159.1 | -138.4 | -27.6 | 0 | 0 | 0 | 120.4 | | |
| 475 | T | 37.8 | Very low | 33.8 | Very low | 140 Ų | 140 | 144.2 Ų | 144.2 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | | | | 170 | 155 | 122.3 | 33.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 476 | K | 32.2 | Very low | 33.7 | Very low | 196 Ų | 196 | 143.8 Ų | 143.8 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | | | trans | -102 | 143.3 | 174.4 | -63.1 | 175.5 | 177.8 | 177 | 0 | 112.7 | | |
| 477 | K | 38.5 | Very low | 33.3 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | trans | 170.8 | 134.8 | 140.3 | -96 | 167.2 | 179.2 | -173.2 | 0 | 108.9 | | |
| 478 | E | 31.9 | Very low | 33.5 | Very low | 171 Ų | 171 | 143.3 Ų | 143.3 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | | | | 43.3 | 118.3 | 92.4 | -63.2 | 179.8 | 145.3 | 0 | 0 | 111.9 | | |
| 479 | D | 35.6 | Very low | 33.4 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | | -161.2 | -172.8 | 53.4 | -142.8 | -32.8 | 0 | 0 | 0 | 113.5 | | |
| 480 | K | 38.3 | Very low | 33.5 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | -80.2 | 150.6 | -177.2 | -39.7 | 118.5 | -167.8 | 127.3 | 0 | 113.1 | | |
| 481 | S | 33.2 | Very low | 33.6 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | | -178.9 | 134 | 111.4 | 63 | 0 | 0 | 0 | 0 | 115.3 | | |
| 482 | L | 31.8 | Very low | 33.6 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | | | trans | -15.2 | 166.5 | 155.5 | -61 | 167.6 | 0 | 0 | 0 | 121.6 | | |
| 483 | Q | 33.4 | Very low | 33.8 | Very low | 171 Ų | 171 | 145.1 Ų | 145.1 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | | | trans | 87 | 145.3 | 163 | -50.6 | -169.7 | 28.6 | 0 | 0 | 115.6 | | |
| 484 | N | 30.9 | Very low | 33.7 | Very low | 122 Ų | 122 | 151.6 Ų | 151.6 | 65% | 0.652 | 80% | 0.797 | S | S | * | * | | | cis | -172.2 | 169.8 | -23.4 | -102.7 | -29.1 | 0 | 0 | 0 | 106.3 | | |
| 485 | L | 31.6 | Very low | 33.7 | Very low | 168 Ų | 168 | 150.6 Ų | 150.6 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | | | trans | 69 | 148.2 | 164.3 | -60.9 | 130.4 | 0 | 0 | 0 | 115.4 | | |
| 486 | C | 29.7 | Very low | 33.5 | Very low | 111 Ų | 111 | 151.2 Ų | 151.2 | 75% | 0.75 | 80% | 0.798 | S | S | * | * | | | cis | -154.8 | 154.7 | -13.1 | -178.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 487 | C | 27.1 | Very low | 33.6 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 70% | 0.703 | 80% | 0.796 | S | S | * | * | | | trans | -70.3 | 166.6 | 171.6 | -49 | 0 | 0 | 0 | 0 | 112.4 | | |
| 488 | P | 38.3 | Very low | 33.3 | Very low | 122 Ų | 122 | 148.7 Ų | 148.7 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | | | trans | -114.8 | 140.3 | 132.2 | 33.9 | -28.4 | 0 | 0 | 0 | 111.5 | | |
| 489 | N | 29.9 | Very low | 33.2 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | | | trans | -93.5 | 145.4 | 162.7 | -74.5 | -40.9 | 0 | 0 | 0 | 108.3 | | |
| 490 | D | 38.5 | Very low | 33 | Very low | 170 Ų | 170 | 148.9 Ų | 148.9 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | | | trans | -120.3 | 150.3 | 153.5 | -86.4 | -50 | 0 | 0 | 0 | 110.2 | | |
| 491 | T | 32.5 | Very low | 32.8 | Very low | 124 Ų | 124 | 147 Ų | 147 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | | | trans | -118.9 | 175.5 | -155.8 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 492 | E | 35.8 | Very low | 32.7 | Very low | 181 Ų | 181 | 150 Ų | 150 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | trans | 101 | 129.1 | 173.8 | -54.7 | -166.4 | 140.4 | 0 | 0 | 113.8 | | |
| 493 | S | 34.2 | Very low | 32.8 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | cis | -142 | 154.3 | 22 | -72.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 494 | R | 34.1 | Very low | 32.8 | Very low | 241 Ų | 241 | 147.1 Ų | 147.1 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | | | trans | -36.8 | 150.5 | 169.9 | -69.5 | 162.3 | 163.6 | 169.6 | -7 | 115.1 | | |
| 495 | S | 32.2 | Very low | 33.2 | Very low | 122 Ų | 122 | 149 Ų | 149 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | | -162.4 | 163 | 57.6 | 46.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 496 | L | 33.5 | Very low | 33.5 | Very low | 154 Ų | 154 | 149.5 Ų | 149.5 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -101 | 159.4 | -160.9 | -69.2 | 157.5 | 0 | 0 | 0 | 114.4 | | |
| 497 | P | 35.6 | Very low | 33.8 | Very low | 124 Ų | 124 | 149.3 Ų | 149.3 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 133.2 | 161.7 | 32.5 | -32.3 | 0 | 0 | 0 | 110.7 | | |
| 498 | F | 31.4 | Very low | 34.2 | Very low | 200 Ų | 200 | 152.2 Ų | 152.2 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -85 | 133 | -178.3 | -103.1 | -90.7 | 0 | 0 | 0 | 113.3 | | |
| 499 | S | 29.7 | Very low | 34.1 | Very low | 100 Ų | 100 | 149.8 Ų | 149.8 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | | | trans | -131.9 | 116.2 | 164.3 | 148.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 500 | Y | 32.1 | Very low | 34.4 | Very low | 206 Ų | 206 | 149.7 Ų | 149.7 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | | | trans | 179.4 | 145.6 | 167.1 | -89.7 | -60.9 | 0 | 0 | 0 | 105.3 | | |
| 501 | N | 34.1 | Very low | 34.2 | Very low | 137 Ų | 137 | 149.7 Ų | 149.7 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | | | cis | -137.5 | 161 | 18.1 | -82.7 | -56.4 | 0 | 0 | 0 | 112.9 | | |
| 502 | K | 30.6 | Very low | 34.1 | Very low | 178 Ų | 178 | 151.8 Ų | 151.8 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | | | trans | -97.2 | 121.9 | 164.9 | -178.3 | -171 | -178.6 | -164 | 0 | 107.6 | | |
| 503 | T | 34.4 | Very low | 34.3 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 77% | 0.767 | 78% | 0.784 | S | S | * | * | | | trans | -130.8 | 120.5 | 168.6 | -48.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 504 | E | 33.4 | Very low | 34.2 | Very low | 142 Ų | 142 | 148 Ų | 148 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | | | trans | -76.4 | 136.4 | 169.8 | -62.8 | 171.8 | 175.5 | 0 | 0 | 108.2 | | |
| 505 | D | 37.7 | Very low | 34.1 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | | | trans | -143.9 | 145.7 | 149.2 | -135.6 | -26.5 | 0 | 0 | 0 | 111.5 | | |
| 506 | K | 39.1 | Very low | 34.4 | Very low | 178 Ų | 178 | 143.2 Ų | 143.2 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | | | trans | -106.9 | 129.4 | -163.2 | -65.1 | 168.3 | -179.5 | 167.8 | 0 | 110.8 | | |
| 507 | S | 36.7 | Very low | 34.4 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | trans | -170.4 | 123.8 | 135.7 | 22.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 508 | N | 35.2 | Very low | 34.5 | Very low | 165 Ų | 165 | 141.9 Ų | 141.9 | 88% | 0.882 | 76% | 0.755 | S | S | * | * | | | trans | 23.8 | 125 | 131.1 | -45.7 | -11.7 | 0 | 0 | 0 | 116.9 | | |
| 509 | G | 34.5 | Very low | 34.7 | Very low | 71 Ų | 71 | 135.1 Ų | 135.1 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | | | cis | 157.5 | -161.7 | 7.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 510 | N | 36.7 | Very low | 35 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | | | trans | 78.2 | 95.1 | 180 | -60.1 | -21.4 | 0 | 0 | 0 | 116.8 | | |
| 511 | Q | 35.5 | Very low | 35 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | | | | 65 | 137.8 | 124.6 | -65.1 | 167.1 | 47 | 0 | 0 | 118.3 | | |
| 512 | E | 29.6 | Very low | 35 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | | | cis | -179.8 | 163.9 | -22.9 | -115.3 | -129.8 | 109.2 | 0 | 0 | 103.4 | | |
| 513 | P | 40.4 | Very low | 35.1 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 62% | 0.623 | 74% | 0.743 | S | S | * | * | | | trans | -109.6 | -142.5 | -156.4 | 34.7 | -19.5 | 0 | 0 | 0 | 111.2 | | |
| 514 | I | 31.1 | Very low | 35.1 | Very low | 121 Ų | 121 | 135 Ų | 135 | 62% | 0.621 | 74% | 0.743 | S | S | * | * | | | trans | 78.5 | 130.5 | 169.7 | -46.9 | 152.9 | 0 | 0 | 0 | 112.5 | Y516 | I514-Y516 HydrophobicContact CG2-CD2 3.67Å; I514-Y516 HydrophobicContact CG2-CE1 4.32Å; I514-Y516 HydrophobicContact CG2-CE2 3.12Å; I514-Y516 HydrophobicContact CG2-CG 4.45Å |
| 515 | G | 33.7 | Very low | 34.9 | Very low | 68 Ų | 68 | 135.2 Ų | 135.2 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | | | cis | -160.2 | -155.4 | -4.7 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 516 | Y | 36.7 | Very low | 34.6 | Very low | 194 Ų | 194 | 133.2 Ų | 133.2 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | | | cis | -162.7 | 148.8 | 4.3 | -104.4 | -72.6 | 0 | 0 | 0 | 107.3 | I514 | I514-Y516 HydrophobicContact CG2-CD2 3.67Å; I514-Y516 HydrophobicContact CG2-CE1 4.32Å; I514-Y516 HydrophobicContact CG2-CE2 3.12Å; I514-Y516 HydrophobicContact CG2-CG 4.45Å |
| 517 | S | 35.4 | Very low | 34.3 | Very low | 91 Ų | 91 | 129.9 Ų | 129.9 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | | | trans | 57.6 | 145.5 | 135.8 | 84.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 518 | N | 37.5 | Very low | 34.1 | Very low | 159 Ų | 159 | 129.6 Ų | 129.6 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | | | cis | -144.9 | 170.3 | 3.2 | -67.4 | -75.5 | 0 | 0 | 0 | 106.7 | | |
| 519 | G | 35.8 | Very low | 34.1 | Very low | 57 Ų | 57 | 129.8 Ų | 129.8 | 59% | 0.588 | 75% | 0.746 | S | S | * | * | | | cis | 178 | 132.3 | -1.6 | 0 | 0 | 0 | 0 | 0 | 105.6 | | |
| 520 | L | 34.3 | Very low | 34.2 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | | | | 54.6 | 122 | 95.7 | -59.4 | 177.6 | 0 | 0 | 0 | 112.5 | | |
| 521 | Q | 32.2 | Very low | 34 | Very low | 176 Ų | 176 | 135 Ų | 135 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | cis | -146.7 | 170.3 | 35.1 | -78.2 | -163.7 | 0.1 | 0 | 0 | 115.4 | | |
| 522 | P | 35.5 | Very low | 34 | Very low | 105 Ų | 105 | 136 Ų | 136 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | | | trans | -103.8 | -173.3 | 179.5 | 30.5 | -12.9 | 0 | 0 | 0 | 113.2 | | |
| 523 | I | 31.3 | Very low | 34.3 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | | | trans | 144.7 | 133.5 | 135.2 | -74 | 164.6 | 0 | 0 | 0 | 114.5 | | |
| 524 | Q | 34.7 | Very low | 33.9 | Very low | 163 Ų | 163 | 139 Ų | 139 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | | | trans | 76 | 105.3 | 158.2 | -77.8 | 157.3 | 24.3 | 0 | 0 | 123.4 | | |
| 525 | N | 28.5 | Very low | 34.1 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | | | | 60.5 | 107.6 | 121.2 | -55.5 | -3.9 | 0 | 0 | 0 | 121.2 | | |
| 526 | S | 32.9 | Very low | 34.2 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | | 176.1 | 150.7 | 102.7 | 47.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 527 | S | 33.2 | Very low | 34.2 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | 57.3 | 112 | 158.8 | -144.6 | 0 | 0 | 0 | 0 | 122.7 | | |
| 528 | S | 30.6 | Very low | 34.2 | Very low | 101 Ų | 101 | 145.7 Ų | 145.7 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | | | trans | 47.5 | 110.6 | 135.3 | 65.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 529 | D | 36.6 | Very low | 33.9 | Very low | 169 Ų | 169 | 141 Ų | 141 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | | | | -155.4 | 156.7 | 121.6 | -130 | -29 | 0 | 0 | 0 | 113.5 | | |
| 530 | K | 36.2 | Very low | 34.1 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 151 | -178.7 | -79.3 | -179.1 | 177.9 | 176.3 | 0 | 112 | Q532 | K530-Q532 PolarHBondContact O-N 3.38Š|
| 531 | P | 33.4 | Very low | 34.4 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 125.4 | -172.4 | 29.3 | -35.1 | 0 | 0 | 0 | 112.9 | | |
| 532 | Q | 33.8 | Very low | 34.8 | Very low | 192 Ų | 192 | 138.5 Ų | 138.5 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 134.1 | 178.8 | -149 | 177.6 | 23.3 | 0 | 0 | 111.4 | K530 S534 | K530-Q532 PolarHBondContact O-N 3.38Å; Q532-S534 PolarHBondContact O-N 3.22Å |
| 533 | K | 36.3 | Very low | 35.2 | Very low | 205 Ų | 205 | 144 Ų | 144 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 130.4 | 177.5 | -79.3 | 176.8 | 173.4 | 175.1 | 0 | 111.4 | A535 | K533-A535 PolarHBondContact O-N 2.94Š|
| 534 | S | 33.1 | Very low | 35.7 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 116.4 | 172.1 | 53.6 | 0 | 0 | 0 | 0 | 111.9 | Q532 | Q532-S534 PolarHBondContact O-N 3.22Š|
| 535 | A | 35.3 | Very low | 36.2 | Very low | 86 Ų | 86 | 142.2 Ų | 142.2 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 153.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | K533 | K533-A535 PolarHBondContact O-N 2.94Š|
| 536 | P | 35.2 | Very low | 36.7 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 136 | 176.5 | -17.1 | 31.1 | 0 | 0 | 0 | 111.9 | I538 | P536-I538 PolarHBondContact O-N 3.36Š|
| 537 | R | 35.8 | Very low | 37.1 | Very low | 253 Ų | 253 | 147.6 Ų | 147.6 | 96% | 0.955 | 79% | 0.785 | S | S | * | * | | | trans | -68.1 | 115.5 | 175.8 | -83.5 | -179.5 | 170.8 | 163.8 | -2.6 | 111.2 | | |
| 538 | I | 36 | Very low | 37.6 | Very low | 153 Ų | 153 | 150.6 Ų | 150.6 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 139.1 | 167.8 | -64.8 | 171.2 | 0 | 0 | 0 | 109.2 | P536 | P536-I538 PolarHBondContact O-N 3.36Š|
| 539 | G | 32.1 | Very low | 37.8 | Very low | 62 Ų | 62 | 153.5 Ų | 153.5 | 64% | 0.639 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 159.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 540 | N | 39.1 | Very low | 37.8 | Very low | 163 Ų | 163 | 155.4 Ų | 155.4 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60 | 135.7 | -177.2 | -67.6 | -45.5 | 0 | 0 | 0 | 112.5 | | |
| 541 | P | 40.5 | Very low | 37.8 | Very low | 92 Ų | 92 | 152.5 Ų | 152.5 | 60% | 0.597 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 156.1 | 173.7 | 28.7 | -34.9 | 0 | 0 | 0 | 111.9 | | |
| 542 | P | 39.9 | Very low | 37.9 | Very low | 91 Ų | 91 | 153.1 Ų | 153.1 | 59% | 0.591 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 147 | 178.1 | 24.6 | -33.6 | 0 | 0 | 0 | 112.2 | T544 L545 | P542-T544 PolarHBondContact O-N 2.83Å; P542-L545 PolarHBondContact O-N 3.45Å |
| 543 | R | 43.8 | Very low | 38.2 | Very low | 220 Ų | 220 | 149 Ų | 149 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -0.5 | -167.3 | -154.3 | 172.7 | -173.6 | 151.8 | -1 | 115.3 | | |
| 544 | T | 42.2 | Very low | 38.1 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -16.4 | -175 | 42.1 | 0 | 0 | 0 | 0 | 114.5 | P542 R546 | P542-T544 PolarHBondContact O-N 2.83Å; T544-R546 PolarHBondContact O-N 3.34Å |
| 545 | L | 46.3 | Very low | 38.3 | Very low | 137 Ų | 137 | 145 Ų | 145 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | | | trans | -93.3 | 65.2 | 177.6 | -67.7 | 171.3 | 0 | 0 | 0 | 111.8 | P542 | P542-L545 PolarHBondContact O-N 3.45Š|
| 546 | R | 38.7 | Very low | 38.6 | Very low | 189 Ų | 189 | 146.4 Ų | 146.4 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -124.3 | 9.9 | 179.5 | -75.1 | -168.2 | 177.3 | -173.5 | -1.2 | 115.6 | T544 | T544-R546 PolarHBondContact O-N 3.34Š|
| 547 | F | 41.7 | Very low | 38.7 | Very low | 191 Ų | 191 | 144.4 Ų | 144.4 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -134.3 | 142.1 | 169.4 | -57.6 | -79.6 | 0 | 0 | 0 | 107.2 | | |
| 548 | L | 42.1 | Very low | 38.7 | Very low | 171 Ų | 171 | 138 Ų | 138 | 90% | 0.895 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 78.1 | 77.4 | -166.6 | -48.5 | 172.4 | 0 | 0 | 0 | 114.5 | | |
| 549 | D | 36.7 | Very low | 38.7 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | | | | 175.1 | 100.9 | 129.8 | -97.2 | -11 | 0 | 0 | 0 | 110.9 | | |
| 550 | K | 34.9 | Very low | 39.1 | Very low | 210 Ų | 210 | 141.6 Ų | 141.6 | 91% | 0.913 | 76% | 0.763 | S | S | * | * | | | trans | -153.2 | 94.3 | 161.7 | -73.8 | -158.3 | 177.4 | -171.3 | 0 | 110.4 | | |
| 551 | S | 37 | Very low | 39 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | | | trans | -91.9 | 162 | 158.4 | 42.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 552 | E | 35.6 | Very low | 38.8 | Very low | 146 Ų | 146 | 144.2 Ų | 144.2 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | | | trans | -132.6 | 139.6 | -148.8 | -170.6 | -163.6 | 158.4 | 0 | 0 | 114.1 | K576 | E552-K576 WeakPolarHBondContact OE1-CD 3.27Å; E552-K576 WeakPolarHBondContact OE1-CE 3.28Å; E552-K576 IonicContact OE1-NZ 2.72Å; E552-K576 PolarHBondContact OE1-NZ 3.25Å |
| 553 | S | 39.1 | Very low | 38.5 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | 170 | 154.3 | 158 | 40.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 554 | C | 35.4 | Very low | 38.2 | Very low | 94 Ų | 94 | 142 Ų | 142 | 64% | 0.635 | 77% | 0.768 | S | S | * | * | | | cis | -165.7 | 141 | -20.5 | -104.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 555 | E | 36.5 | Very low | 38 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | | | trans | 66.3 | 164.1 | 141.6 | -63 | -70.9 | 117.3 | 0 | 0 | 121.1 | | |
| 556 | P | 41.4 | Very low | 37.4 | Very low | 115 Ų | 115 | 145 Ų | 145 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | | | | -140.6 | 176.4 | -65.8 | 40.9 | -22.6 | 0 | 0 | 0 | 115.3 | | |
| 557 | G | 37.4 | Very low | 37.1 | Very low | 80 Ų | 80 | 139.8 Ų | 139.8 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | 168 | 146.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 558 | S | 36.7 | Very low | 36.9 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -85.4 | 171.9 | 179.4 | 46.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 559 | Q | 36.2 | Very low | 36.5 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | | | cis | -160.7 | -170.7 | 33.5 | -157.7 | 170 | -0 | 0 | 0 | 111.8 | | |
| 560 | M | 39.9 | Very low | 36.3 | Very low | 136 Ų | 136 | 132 Ų | 132 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | | | trans | -48.3 | 171.3 | -177.6 | -63.5 | 171.8 | -77.4 | 0 | 0 | 116.9 | | |
| 561 | E | 37.7 | Very low | 36.2 | Very low | 160 Ų | 160 | 126.1 Ų | 126.1 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | cis | -154.5 | -158.8 | 12.2 | -139.8 | 154.9 | -138.9 | 0 | 0 | 112.1 | | |
| 562 | D | 34.9 | Very low | 36 | Very low | 149 Ų | 149 | 130.3 Ų | 130.3 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | -97.1 | 173.5 | -153.9 | -72.1 | -55.9 | 0 | 0 | 0 | 120.3 | | |
| 563 | S | 34.4 | Very low | 35.9 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | | | trans | 98.9 | 107.8 | 145.5 | -67.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 564 | H | 38.6 | Very low | 35.9 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | | | trans | 47.1 | 96.3 | 135.8 | -54.4 | -68.9 | 0 | 0 | 0 | 121.2 | | |
| 565 | H | 36.8 | Very low | 36.4 | Very low | 198 Ų | 198 | 138.9 Ų | 138.9 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | | | trans | -151.4 | 149.9 | 133.4 | -86 | -57.5 | 0 | 0 | 0 | 110.9 | | |
| 566 | S | 34.6 | Very low | 36.6 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | -77.9 | 133.1 | -162.7 | -50.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 567 | G | 31.6 | Very low | 36.6 | Very low | 80 Ų | 80 | 139 Ų | 139 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 85.3 | 19.1 | 145 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 568 | L | 36.6 | Very low | 36.7 | Very low | 152 Ų | 152 | 143 Ų | 143 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | | | trans | -145.6 | 147.2 | 176.6 | -91.3 | 176.7 | 0 | 0 | 0 | 113.6 | | |
| 569 | T | 35.3 | Very low | 36.6 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | | | trans | 62.9 | 162.7 | 156.6 | 60.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 570 | G | 32.7 | Very low | 36.6 | Very low | 70 Ų | 70 | 140.4 Ų | 140.4 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | | | trans | 115 | 87.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R572 | G570-R572 PolarHBondContact O-N 3.01Š|
| 571 | G | 32.2 | Very low | 36.7 | Very low | 85 Ų | 85 | 138.1 Ų | 138.1 | 88% | 0.876 | 77% | 0.773 | S | S | * | * | | | trans | -64.6 | 127.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 572 | R | 32.4 | Very low | 36.6 | Very low | 216 Ų | 216 | 139.7 Ų | 139.7 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | | | trans | -135.8 | 134 | 164.8 | -98.1 | -176.8 | 171.3 | 175.8 | -0.8 | 109.3 | G570 | G570-R572 PolarHBondContact O-N 3.01Š|
| 573 | E | 33.1 | Very low | 36.7 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | trans | -76.2 | 148 | -171.2 | -170.3 | 176.2 | -157.9 | 0 | 0 | 112.3 | R575 | E573-R575 PolarHBondContact O-N 3.23Å; E573-R575 VanDerWaalsContact O-N 3.16Å |
| 574 | P | 39.7 | Very low | 36.7 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | | | trans | -67.6 | 111.9 | 175 | -16.7 | 31 | 0 | 0 | 0 | 111.2 | K576 | P574-K576 PolarHBondContact O-N 2.87Š|
| 575 | R | 44.8 | Very low | 36.3 | Very low | 231 Ų | 231 | 146.5 Ų | 146.5 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 132.8 | 175.8 | -70.2 | 176.2 | 174.4 | 160.7 | -3.5 | 111.1 | E573 | E573-R575 PolarHBondContact O-N 3.23Å; E573-R575 VanDerWaalsContact O-N 3.16Å |
| 576 | K | 42.2 | Very low | 36 | Very low | 95 Ų | 95 | 141.2 Ų | 141.2 | 41% | 0.413 | 77% | 0.769 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 132.6 | 174.3 | -63 | -169.9 | 173.9 | -143.5 | 0 | 111.7 | E552 P574 | E552-K576 WeakPolarHBondContact OE1-CD 3.27Å; E552-K576 WeakPolarHBondContact OE1-CE 3.28Å; E552-K576 IonicContact OE1-NZ 2.72Å; E552-K576 PolarHBondContact OE1-NZ 3.25Å; P574-K576 PolarHBondContact O-N 2.87Å |
| 577 | L | 41.4 | Very low | 35.8 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 128 | 164.8 | -71.8 | 171.1 | 0 | 0 | 0 | 109.1 | | |
| 578 | K | 39.4 | Very low | 36.1 | Very low | 166 Ų | 166 | 152.5 Ų | 152.5 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 133.8 | -178.6 | -71.5 | -172 | 174.5 | -175.6 | 0 | 111.2 | S580 | K578-S580 PolarHBondContact O-N 3.09Š|
| 579 | P | 34.9 | Very low | 35.7 | Very low | 131 Ų | 131 | 150 Ų | 150 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -66.6 | 2.5 | 176.3 | -22.6 | 34.1 | 0 | 0 | 0 | 116.1 | | |
| 580 | S | 36.5 | Very low | 35.8 | Very low | 87 Ų | 87 | 148.4 Ų | 148.4 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -93.3 | 11.1 | -172.5 | 64.5 | 0 | 0 | 0 | 0 | 114.8 | K578 | K578-S580 PolarHBondContact O-N 3.09Š|
| 581 | S | 40.6 | Very low | 35.9 | Very low | 89 Ų | 89 | 150.7 Ų | 150.7 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -90 | -3 | 179.7 | 52.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 582 | F | 36.5 | Very low | 36.1 | Very low | 193 Ų | 193 | 153.4 Ų | 153.4 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -125.5 | 58.7 | 176.2 | -69.2 | -75.5 | 0 | 0 | 0 | 112.5 | | |
| 583 | I | 36.3 | Very low | 36.2 | Very low | 123 Ų | 123 | 151.6 Ų | 151.6 | 63% | 0.631 | 77% | 0.765 | S | S | * | * | | | trans | -128.8 | 140.4 | 162.5 | -41.6 | -176.8 | 0 | 0 | 0 | 108.6 | | |
| 584 | F | 35 | Very low | 36 | Very low | 185 Ų | 185 | 148.5 Ų | 148.5 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | | | trans | 73.1 | 95.6 | 176.1 | -62.4 | -72.8 | 0 | 0 | 0 | 119 | | |
| 585 | R | 30.2 | Very low | 36.1 | Very low | 248 Ų | 248 | 147.8 Ų | 147.8 | 94% | 0.936 | 76% | 0.758 | S | S | * | * | | | | -133.4 | 78.4 | 120.5 | -161.8 | 175.3 | -170.7 | 172.7 | 4.5 | 111.8 | | |
| 586 | S | 29.9 | Very low | 35.6 | Very low | 87 Ų | 87 | 143 Ų | 143 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | | | trans | -87.7 | 159.8 | 159.5 | -57.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 587 | R | 31.3 | Very low | 35.1 | Very low | 233 Ų | 233 | 145.6 Ų | 145.6 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | | | trans | 77.6 | 129.6 | -170.4 | -48.6 | -176.2 | -72.7 | -161.7 | 1 | 112 | | |
| 588 | K | 37.3 | Very low | 34.8 | Very low | 208 Ų | 208 | 149.1 Ų | 149.1 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | | | cis | -130.7 | 160.1 | 30.9 | -71.3 | -168.9 | 171.6 | -170.9 | 0 | 115.2 | | |
| 589 | A | 28.8 | Very low | 34.4 | Very low | 98 Ų | 98 | 150.2 Ų | 150.2 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | trans | -82 | 145.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 590 | S | 36.7 | Very low | 34.2 | Very low | 107 Ų | 107 | 151 Ų | 151 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | -177.1 | 94.1 | 152.2 | -172.5 | 0 | 0 | 0 | 0 | 104.5 | | |
| 591 | T | 35.3 | Very low | 33.9 | Very low | 118 Ų | 118 | 155.3 Ų | 155.3 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | | | | 71.1 | 117.4 | 87.2 | -51.9 | 0 | 0 | 0 | 0 | 112 | | |
| 592 | D | 35.6 | Very low | 33.5 | Very low | 143 Ų | 143 | 156.9 Ų | 156.9 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | | | trans | 96.5 | 140.3 | 150.9 | -95.2 | -35.6 | 0 | 0 | 0 | 125.1 | | |
| 593 | E | 34.3 | Very low | 33.3 | Very low | 178 Ų | 178 | 154.1 Ų | 154.1 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | 58.8 | 113.5 | 158.1 | -56.5 | -144.5 | 120.2 | 0 | 0 | 122.2 | | |
| 594 | S | 30.4 | Very low | 33 | Very low | 108 Ų | 108 | 155.7 Ų | 155.7 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | -81.2 | -159.1 | 148.7 | -49.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 595 | P | 39.9 | Very low | 32.8 | Very low | 106 Ų | 106 | 156.2 Ų | 156.2 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | | | cis | -135.8 | -165.1 | -10.6 | 40.6 | -21.3 | 0 | 0 | 0 | 113.5 | | |
| 596 | N | 35.9 | Very low | 32.9 | Very low | 130 Ų | 130 | 152.3 Ų | 152.3 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | | | trans | 124.6 | 112.4 | 155.6 | -68.4 | -62.6 | 0 | 0 | 0 | 112.6 | | |
| 597 | L | 31.5 | Very low | 33.1 | Very low | 150 Ų | 150 | 151.6 Ų | 151.6 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | | 55.5 | 94.6 | 74.6 | -74.3 | 163 | 0 | 0 | 0 | 112.9 | | |
| 598 | R | 35.2 | Very low | 33.2 | Very low | 244 Ų | 244 | 150.9 Ų | 150.9 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | | -170.9 | 156.1 | 98 | -97.8 | 173.1 | -172.6 | -152.6 | 1.4 | 112.6 | | |
| 599 | K | 29.7 | Very low | 33 | Very low | 189 Ų | 189 | 146.1 Ų | 146.1 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | -75.9 | 165.1 | 170.4 | -58.8 | 173.4 | 179.7 | 178.7 | 0 | 110.1 | | |
| 600 | N | 32.3 | Very low | 33.4 | Very low | 147 Ų | 147 | 151.2 Ų | 151.2 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | trans | 148.4 | 105.1 | 150.3 | -74.1 | -1.5 | 0 | 0 | 0 | 106.3 | | |
| 601 | E | 29.2 | Very low | 33.2 | Very low | 177 Ų | 177 | 150.3 Ų | 150.3 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | | 43.9 | 97.9 | 78.9 | -68.3 | -172.4 | 171.8 | 0 | 0 | 113 | | |
| 602 | T | 32.6 | Very low | 33.2 | Very low | 123 Ų | 123 | 152.7 Ų | 152.7 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | | 177.1 | 148.6 | 108.2 | 25.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 603 | N | 32.8 | Very low | 33.2 | Very low | 134 Ų | 134 | 153.3 Ų | 153.3 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | | | trans | 49 | 120.8 | 146.2 | -59.5 | -8.2 | 0 | 0 | 0 | 120.1 | | |
| 604 | E | 29.4 | Very low | 33.3 | Very low | 156 Ų | 156 | 152 Ų | 152 | 73% | 0.729 | 80% | 0.797 | S | S | * | * | | | | 77.5 | 144 | 63.9 | -156.6 | -172.2 | -118 | 0 | 0 | 112.6 | | |
| 605 | Y | 29.7 | Very low | 33.4 | Very low | 196 Ų | 196 | 154.1 Ų | 154.1 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | trans | 85.2 | 143.6 | 176.7 | -82.9 | -97.1 | 0 | 0 | 0 | 121.1 | | |
| 606 | L | 33.4 | Very low | 33.3 | Very low | 167 Ų | 167 | 154.9 Ų | 154.9 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | 65.3 | 136.4 | 170.4 | -92.9 | 56.5 | 0 | 0 | 0 | 117.4 | | |
| 607 | G | 34.1 | Very low | 33.3 | Very low | 72 Ų | 72 | 154.6 Ų | 154.6 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | | | cis | -164.8 | 165.9 | 0.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 608 | K | 32.6 | Very low | 33.5 | Very low | 217 Ų | 217 | 154.7 Ų | 154.7 | 94% | 0.943 | 81% | 0.806 | S | S | * | * | | | trans | -94.8 | 121.1 | -176.5 | -60.1 | 172.2 | -178.3 | 174.7 | 0 | 111.6 | | |
| 609 | S | 33.7 | Very low | 33.6 | Very low | 109 Ų | 109 | 152.1 Ų | 152.1 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | | | trans | -158 | 99.9 | 154.1 | 48 | 0 | 0 | 0 | 0 | 108 | | |
| 610 | K | 36.9 | Very low | 34 | Very low | 204 Ų | 204 | 154.8 Ų | 154.8 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | | | | 59.6 | 105.8 | 90.4 | -85 | -160.9 | 172.1 | -171.5 | 0 | 113.5 | | |
| 611 | A | 33.3 | Very low | 34.9 | Very low | 89 Ų | 89 | 156.4 Ų | 156.4 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | | | trans | 46 | 107.4 | 142.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 612 | D | 35.1 | Very low | 35.5 | Very low | 168 Ų | 168 | 156.4 Ų | 156.4 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | | | trans | -136.5 | 139.9 | 130.9 | -92.8 | -44.2 | 0 | 0 | 0 | 109.4 | | |
| 613 | N | 34.4 | Very low | 36 | Very low | 156 Ų | 156 | 153.3 Ų | 153.3 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | | | trans | -82.7 | 127.1 | 179.1 | -64.7 | -51.3 | 0 | 0 | 0 | 109.4 | | |
| 614 | N | 36.6 | Very low | 37.4 | Very low | 151 Ų | 151 | 152.9 Ų | 152.9 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | | | trans | -144.1 | 109.5 | 153.7 | -92.9 | -47.3 | 0 | 0 | 0 | 108.9 | T616 | N614-T616 PolarHBondContact O-N 3.33Š|
| 615 | D | 32.9 | Very low | 38.4 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | | | trans | -82.4 | 79.4 | -172.8 | -156 | 2.7 | 0 | 0 | 0 | 109.9 | V617 | D615-V617 WeakPolarHBondContact OD1-CG2 3.41Š|
| 616 | T | 38.2 | Very low | 39.7 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | trans | -105 | 80.9 | 176 | 50.2 | 0 | 0 | 0 | 0 | 110.3 | N614 D618 | N614-T616 PolarHBondContact O-N 3.33Å; T616-D618 PolarHBondContact O-N 2.82Å |
| 617 | V | 34.8 | Very low | 41.3 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | | | trans | -76.1 | 56.8 | 174.2 | -169.3 | 0 | 0 | 0 | 0 | 110.6 | D615 | D615-V617 WeakPolarHBondContact OD1-CG2 3.41Š|
| 618 | D | 37.4 | Very low | 42.7 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | | | trans | -157.3 | 66.1 | 173.2 | -118.9 | -15.4 | 0 | 0 | 0 | 113.5 | T616 | T616-D618 PolarHBondContact O-N 2.82Š|
| 619 | Q | 37 | Very low | 44.4 | Very low | 191 Ų | 191 | 134.6 Ų | 134.6 | 89% | 0.893 | 72% | 0.722 | S | S | * | * | | | trans | -162 | 86.7 | 156.7 | -115.3 | 167.5 | 77.8 | 0 | 0 | 109.9 | Q621 | Q619-Q621 PolarHBondContact O-N 2.81Š|
| 620 | R | 38.1 | Very low | 45.9 | Very low | 245 Ų | 245 | 136.5 Ų | 136.5 | 93% | 0.925 | 71% | 0.713 | S | S | * | * | | | trans | -81.4 | 93.3 | 172 | -70.4 | -171.7 | -178.6 | -141.4 | 2.8 | 109.3 | E622 | R620-E622 PolarHBondContact O-N 2.96Š|
| 621 | Q | 50 | Low | 47.7 | Very low | 181 Ų | 181 | 130.2 Ų | 130.2 | 85% | 0.846 | 69% | 0.687 | S | S | * | * | | | trans | -59.2 | 122 | 172.8 | -167.7 | 162.2 | 19 | 0 | 0 | 110.1 | Q619 V623 | Q619-Q621 PolarHBondContact O-N 2.81Å; Q621-V623 PolarHBondContact O-N 3.14Å |
| 622 | E | 43.1 | Very low | 49.5 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 82% | 0.822 | 67% | 0.672 | S | S | * | * | | | trans | -61.8 | 128.8 | -178 | -67.2 | -172.5 | 166.4 | 0 | 0 | 110.9 | R620 S624 | R620-E622 PolarHBondContact O-N 2.96Å; E622-S624 PolarHBondContact O-N 3.01Å; E622-S624 VanDerWaalsContact O-N 3.11Å; E622-S624 PolarHBondContact O-OG 3.26Å |
| 623 | V | 43.5 | Very low | 51.2 | Low | 59 Ų | 59 | 124.8 Ų | 124.8 | 36% | 0.358 | 64% | 0.643 | S | S | . | * | | | trans | -83 | 95.2 | -174.6 | -161.6 | 0 | 0 | 0 | 0 | 108.3 | Q621 S625 A628 | Q621-V623 PolarHBondContact O-N 3.14Å; V623-S625 PolarHBondContact O-N 3.38Å; V623-A628 HydrophobicContact CG1-CB 3.52Å |
| 624 | S | 60.5 | Low | 53.1 | Low | 125 Ų | 125 | 124.6 Ų | 124.6 | 87% | 0.874 | 64% | 0.635 | S | S | * | * | | | trans | -63.9 | 1.6 | -167 | -38.7 | 0 | 0 | 0 | 0 | 116.4 | E622 | E622-S624 PolarHBondContact O-N 3.01Å; E622-S624 VanDerWaalsContact O-N 3.11Å; E622-S624 PolarHBondContact O-OG 3.26Å |
| 625 | S | 52.3 | Low | 54.7 | Low | 48 Ų | 48 | 126.3 Ų | 126.3 | 34% | 0.336 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -154.7 | 153.1 | 171.3 | 74.3 | 0 | 0 | 0 | 0 | 112.8 | V623 S627 A628 Y629 | V623-S625 PolarHBondContact O-N 3.38Å; S625-S627 PolarHBondContact O-N 2.97Å; S625-S627 PolarHBondContact OG-OG 2.72Å; S625-A628 PolarHBondContact O-N 3.3Å; S625-A628 VanDerWaalsContact O-N 3.15Å; S625-A628 WeakPolarHBondContact OG-CB 3.43Å; S625-A628 PolarHBondContact OG-N 3.02Å; S625-Y629 PolarHBondContact O-N 3.34Å |
| 626 | I | 55 | Low | 56.3 | Low | 133 Ų | 133 | 128.2 Ų | 128.2 | 68% | 0.682 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -57.5 | -34.7 | 170.5 | -78.8 | 170.1 | 0 | 0 | 0 | 111.7 | Y629 Y630 | I626-Y629 WeakPolarHBondContact O-CB 3.49Å; I626-Y629 PolarHBondContact O-N 2.77Å; I626-Y630 HydrophobicContact CG2-CD2 3.84Å; I626-Y630 HydrophobicContact CG2-CE2 3.83Å; I626-Y630 WeakPolarHBondContact O-CD2 3.41Å; I626-Y630 PolarHBondContact O-N 2.99Å |
| 627 | S | 67.4 | Low | 56.8 | Low | 83 Ų | 83 | 125.9 Ų | 125.9 | 58% | 0.58 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.2 | -40.8 | 176.3 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | S625 Y629 Y630 E631 | S625-S627 PolarHBondContact O-N 2.97Å; S625-S627 PolarHBondContact OG-OG 2.72Å; S627-Y629 VanDerWaalsContact C-N 3.35Å; S627-Y630 PolarHBondContact O-N 2.8Å; S627-E631 PolarHBondContact O-N 2.78Å |
| 628 | A | 64.5 | Low | 57.4 | Low | 40 Ų | 40 | 125.8 Ų | 125.8 | 33% | 0.331 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.8 | -34.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V623 S625 E631 Q632 | V623-A628 HydrophobicContact CG1-CB 3.52Å; S625-A628 PolarHBondContact O-N 3.3Å; S625-A628 VanDerWaalsContact O-N 3.15Å; S625-A628 WeakPolarHBondContact OG-CB 3.43Å; S625-A628 PolarHBondContact OG-N 3.02Å; A628-E631 PolarHBondContact O-N 3.46Å; A628-Q632 WeakPolarHBondContact O-CB 3.39Å; A628-Q632 PolarHBondContact O-N 3.27Å |
| 629 | Y | 67.1 | Low | 57.7 | Low | 119 Ų | 119 | 127.2 Ų | 127.2 | 47% | 0.467 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61 | -48.1 | 172.3 | 174 | -104.1 | 0 | 0 | 0 | 112 | S625 I626 S627 E631 Q632 L633 | S625-Y629 PolarHBondContact O-N 3.34Å; I626-Y629 WeakPolarHBondContact O-CB 3.49Å; I626-Y629 PolarHBondContact O-N 2.77Å; S627-Y629 VanDerWaalsContact C-N 3.35Å; Y629-E631 PolarHBondContact O-N 3.3Å; Y629-Q632 PolarHBondContact O-N 3.14Å; Y629-L633 HydrophobicContact CE1-CD1 4.13Å; Y629-L633 HydrophobicContact CE2-CD1 3.87Å; Y629-L633 WeakPolarHBondContact O-CB 3.28Å; Y629-L633 PolarHBondContact O-N 3.46Å |
| 630 | Y | 66 | Low | 57.8 | Low | 149 Ų | 149 | 122.4 Ų | 122.4 | 58% | 0.584 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.7 | -35.3 | 177.5 | -83.3 | -72.1 | 0 | 0 | 0 | 113.6 | I626 S627 L633 K634 | I626-Y630 HydrophobicContact CG2-CD2 3.84Å; I626-Y630 HydrophobicContact CG2-CE2 3.83Å; I626-Y630 WeakPolarHBondContact O-CD2 3.41Å; I626-Y630 PolarHBondContact O-N 2.99Å; S627-Y630 PolarHBondContact O-N 2.8Å; Y630-L633 PolarHBondContact O-N 3.37Å; Y630-K634 PolarHBondContact O-N 3.3Å |
| 631 | E | 74 | Confident | 58 | Low | 72 Ų | 72 | 117.3 Ų | 117.3 | 34% | 0.336 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.5 | -39.7 | 171.6 | -89.5 | -64.4 | 122.9 | 0 | 0 | 112.2 | S627 A628 Y629 K634 R635 | S627-E631 PolarHBondContact O-N 2.78Å; A628-E631 PolarHBondContact O-N 3.46Å; Y629-E631 PolarHBondContact O-N 3.3Å; E631-K634 PolarHBondContact O-N 3.47Å; E631-K634 WeakPolarHBondContact OE1-CD 3.26Å; E631-K634 IonicContact OE1-NZ 3.66Å; E631-K634 PolarHBondContact OE1-NZ 3.46Å; E631-R635 WeakPolarHBondContact O-CG 3.42Å; E631-R635 PolarHBondContact O-N 3.01Å; E631-R635 IonicContact OE2-CZ 2.85Å; E631-R635 IonicContact OE2-NE 3.63Å; E631-R635 IonicContact OE2-NH2 2.8Å; E631-R635 PolarHBondContact OE2-NH2 2.98Å |
| 632 | Q | 72 | Confident | 57.7 | Low | 88 Ų | 88 | 114.2 Ų | 114.2 | 41% | 0.411 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68 | -36.2 | 174.7 | -153.5 | 177.8 | 46.3 | 0 | 0 | 111.3 | A628 Y629 R635 R636 | A628-Q632 WeakPolarHBondContact O-CB 3.39Å; A628-Q632 PolarHBondContact O-N 3.27Å; Y629-Q632 PolarHBondContact O-N 3.14Å; Q632-R635 PolarHBondContact O-N 3.33Å; Q632-R636 WeakPolarHBondContact O-CG 3.27Å; Q632-R636 PolarHBondContact O-N 3.36Å |
| 633 | L | 70.1 | Confident | 57.3 | Low | 56 Ų | 56 | 108.4 Ų | 108.4 | 29% | 0.293 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63 | -45.5 | 173.5 | -130.9 | 81.4 | 0 | 0 | 0 | 111.9 | Y629 Y630 R635 R636 N637 | Y629-L633 HydrophobicContact CE1-CD1 4.13Å; Y629-L633 HydrophobicContact CE2-CD1 3.87Å; Y629-L633 WeakPolarHBondContact O-CB 3.28Å; Y629-L633 PolarHBondContact O-N 3.46Å; Y630-L633 PolarHBondContact O-N 3.37Å; L633-R635 VanDerWaalsContact C-N 3.27Å; L633-R635 PolarHBondContact O-N 3.22Å; L633-R636 PolarHBondContact O-N 3.44Å; L633-R636 VanDerWaalsContact O-N 3.12Å; L633-N637 VanDerWaalsContact O-CB 3.32Å; L633-N637 WeakPolarHBondContact O-CB 3.45Å; L633-N637 VanDerWaalsContact O-CG 3.31Å; L633-N637 PolarHBondContact O-N 3.4Å |
| 634 | K | 74.9 | Confident | 56.6 | Low | 152 Ų | 152 | 110.4 Ų | 110.4 | 66% | 0.661 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -55.1 | -41.5 | 173.8 | -92.7 | -179.7 | -172.8 | 165.7 | 0 | 112.3 | Y630 E631 R636 | Y630-K634 PolarHBondContact O-N 3.3Å; E631-K634 PolarHBondContact O-N 3.47Å; E631-K634 WeakPolarHBondContact OE1-CD 3.26Å; E631-K634 IonicContact OE1-NZ 3.66Å; E631-K634 PolarHBondContact OE1-NZ 3.46Å; K634-R636 VanDerWaalsContact C-N 3.31Å; K634-R636 PolarHBondContact O-N 2.88Å |
| 635 | R | 70.3 | Confident | 55.5 | Low | 186 Ų | 186 | 113.8 Ų | 113.8 | 70% | 0.702 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71.6 | -22.7 | -179.7 | -67.3 | 171.7 | -156 | 162.1 | 10.8 | 113.2 | E631 Q632 L633 | E631-R635 WeakPolarHBondContact O-CG 3.42Å; E631-R635 PolarHBondContact O-N 3.01Å; E631-R635 IonicContact OE2-CZ 2.85Å; E631-R635 IonicContact OE2-NE 3.63Å; E631-R635 IonicContact OE2-NH2 2.8Å; E631-R635 PolarHBondContact OE2-NH2 2.98Å; Q632-R635 PolarHBondContact O-N 3.33Å; L633-R635 VanDerWaalsContact C-N 3.27Å; L633-R635 PolarHBondContact O-N 3.22Å |
| 636 | R | 65.4 | Low | 54.7 | Low | 192 Ų | 192 | 119.8 Ų | 119.8 | 73% | 0.725 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -94.2 | -23.1 | 177.8 | -63.5 | -178.1 | 92.4 | 114.4 | 5 | 113.9 | Q632 L633 K634 S638 | Q632-R636 WeakPolarHBondContact O-CG 3.27Å; Q632-R636 PolarHBondContact O-N 3.36Å; L633-R636 PolarHBondContact O-N 3.44Å; L633-R636 VanDerWaalsContact O-N 3.12Å; K634-R636 VanDerWaalsContact C-N 3.31Å; K634-R636 PolarHBondContact O-N 2.88Å; R636-S638 PolarHBondContact O-N 2.79Å |
| 637 | N | 49.5 | Very low | 53.7 | Low | 73 Ų | 73 | 119.2 Ų | 119.2 | 39% | 0.39 | 61% | 0.608 | S | S | . | * | | | trans | -96.2 | 50.4 | -168.8 | -71.8 | -12.4 | 0 | 0 | 0 | 115.2 | L633 R639 | L633-N637 VanDerWaalsContact O-CB 3.32Å; L633-N637 WeakPolarHBondContact O-CB 3.45Å; L633-N637 VanDerWaalsContact O-CG 3.31Å; L633-N637 PolarHBondContact O-N 3.4Å; N637-R639 PolarHBondContact O-N 2.99Å |
| 638 | S | 47 | Very low | 52.1 | Low | 122 Ų | 122 | 120 Ų | 120 | 85% | 0.853 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -77.8 | 0.3 | 160.7 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | R636 | R636-S638 PolarHBondContact O-N 2.79Š|
| 639 | R | 44.9 | Very low | 50.5 | Low | 181 Ų | 181 | 122.4 Ų | 122.4 | 68% | 0.683 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -117.7 | 133.2 | 174.6 | -116.6 | -179.3 | 179.4 | -154.9 | 0.8 | 110.6 | N637 | N637-R639 PolarHBondContact O-N 2.99Š|
| 640 | P | 38.1 | Very low | 49 | Very low | 90 Ų | 90 | 122.5 Ų | 122.5 | 58% | 0.584 | 65% | 0.653 | S | S | * | * | | | trans | -66.7 | 138.4 | 171.5 | 28.6 | -33.9 | 0 | 0 | 0 | 110.3 | S642 A643 | P640-S642 PolarHBondContact O-N 3.47Å; P640-A643 PolarHBondContact O-N 2.83Å |
| 641 | L | 43 | Very low | 47.4 | Very low | 139 Ų | 139 | 123.3 Ų | 123.3 | 73% | 0.728 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -65.4 | -6.4 | -177 | -68.3 | 168.1 | 0 | 0 | 0 | 114.1 | A643 | L641-A643 PolarHBondContact O-N 3.07Š|
| 642 | S | 42.4 | Very low | 45.4 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -74.7 | 1.5 | 176.1 | 52.7 | 0 | 0 | 0 | 0 | 115.1 | P640 | P640-S642 PolarHBondContact O-N 3.47Š|
| 643 | A | 35.4 | Very low | 43.2 | Very low | 55 Ų | 55 | 134.1 Ų | 134.1 | 46% | 0.455 | 71% | 0.71 | S | S | . | * | G | 310 helix | trans | -116.1 | 3.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | P640 L641 K645 | P640-A643 PolarHBondContact O-N 2.83Å; L641-A643 PolarHBondContact O-N 3.07Å; A643-K645 PolarHBondContact O-N 3.22Å; A643-K645 VanDerWaalsContact O-N 3.1Å |
| 644 | C | 28.9 | Very low | 41.5 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | | | trans | -81.9 | 86.9 | 179.2 | -73.7 | 0 | 0 | 0 | 0 | 112.2 | L646 | C644-L646 PolarHBondContact O-N 2.81Š|
| 645 | K | 37.2 | Very low | 39.5 | Very low | 195 Ų | 195 | 135.5 Ų | 135.5 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | | | trans | -65.8 | 118.3 | 155.9 | -80.8 | -174.6 | 174.9 | -177.8 | 0 | 108.5 | A643 T647 | A643-K645 PolarHBondContact O-N 3.22Å; A643-K645 VanDerWaalsContact O-N 3.1Å; K645-T647 PolarHBondContact O-N 2.89Å |
| 646 | L | 35.4 | Very low | 37.7 | Very low | 174 Ų | 174 | 131.3 Ų | 131.3 | 91% | 0.911 | 74% | 0.743 | S | S | * | * | | | trans | -70.4 | 94.3 | 165.8 | -90.6 | 158.4 | 0 | 0 | 0 | 109.1 | C644 A648 | C644-L646 PolarHBondContact O-N 2.81Å; L646-A648 PolarHBondContact O-N 2.78Å |
| 647 | T | 33.8 | Very low | 36.1 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | | | trans | -72 | 105.3 | 163.2 | -55.3 | 0 | 0 | 0 | 0 | 107.7 | K645 A649 | K645-T647 PolarHBondContact O-N 2.89Å; T647-A649 PolarHBondContact O-N 2.74Å; T647-A649 VanDerWaalsContact O-N 3.13Å |
| 648 | A | 34.3 | Very low | 35.4 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -69 | 105.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | L646 T650 | L646-A648 PolarHBondContact O-N 2.78Å; A648-T650 PolarHBondContact O-N 3.46Å |
| 649 | A | 31.5 | Very low | 34.7 | Very low | 91 Ų | 91 | 130.1 Ų | 130.1 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | trans | -80.1 | 117.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | T647 | T647-A649 PolarHBondContact O-N 2.74Å; T647-A649 VanDerWaalsContact O-N 3.13Å |
| 650 | T | 35.6 | Very low | 34.3 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | | | trans | -150.7 | 117.8 | 154 | -48.9 | 0 | 0 | 0 | 0 | 108.8 | A648 | A648-T650 PolarHBondContact O-N 3.46Š|
| 651 | Q | 32.5 | Very low | 34 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | trans | 46.9 | 107.3 | 162.5 | -63.3 | 175.3 | 5.4 | 0 | 0 | 118.3 | | |
| 652 | F | 30.3 | Very low | 33.6 | Very low | 206 Ų | 206 | 132.4 Ų | 132.4 | 90% | 0.904 | 77% | 0.767 | S | S | * | * | | | | -166.1 | 130.5 | 105.6 | -97.4 | -70.2 | 0 | 0 | 0 | 108.4 | | |
| 653 | Q | 27.7 | Very low | 33 | Very low | 181 Ų | 181 | 133.1 Ų | 133.1 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | | | trans | -116.6 | 112.7 | -175.6 | 179.1 | -178.5 | 2.5 | 0 | 0 | 109.3 | | |
| 654 | P | 32.7 | Very low | 32.9 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -88 | 136 | 158.2 | -5.6 | 24.9 | 0 | 0 | 0 | 109.3 | | |
| 655 | P | 32.6 | Very low | 33 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 153.2 | 175.1 | 30.8 | -34.4 | 0 | 0 | 0 | 111 | | |
| 656 | A | 32.6 | Very low | 32.6 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 130.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 657 | D | 31.7 | Very low | 32.4 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | -151.5 | 112.4 | 151.2 | -140.7 | -14.8 | 0 | 0 | 0 | 110.1 | | |
| 658 | P | 36.2 | Very low | 32.3 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | | | trans | -101.1 | 78.1 | -174 | 37 | -32 | 0 | 0 | 0 | 112.3 | | |
| 659 | S | 30.6 | Very low | 32.1 | Very low | 89 Ų | 89 | 137.8 Ų | 137.8 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | | | trans | -155.7 | 156.5 | 162.2 | 66.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 660 | L | 36.6 | Very low | 32.2 | Very low | 145 Ų | 145 | 143.9 Ų | 143.9 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | trans | 75.7 | 112.2 | 176.3 | -46.1 | 176.3 | 0 | 0 | 0 | 114.5 | | |
| 661 | L | 33.1 | Very low | 31.9 | Very low | 139 Ų | 139 | 146.7 Ų | 146.7 | 73% | 0.728 | 79% | 0.792 | S | S | * | * | | | | 65.6 | 136.8 | 97.4 | -64.4 | 170.9 | 0 | 0 | 0 | 113.7 | | |
| 662 | K | 34.8 | Very low | 31.9 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | | | cis | -172.4 | 149.6 | -13.4 | -132.7 | -175.9 | -163.9 | 176.2 | 0 | 106.3 | | |
| 663 | T | 29.6 | Very low | 31.8 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | | | trans | 42.9 | 116.3 | 156.5 | 45.6 | 0 | 0 | 0 | 0 | 121.2 | | |
| 664 | S | 32.4 | Very low | 32 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -157.9 | 128.7 | 134.6 | -168.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 665 | E | 31 | Very low | 32.2 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -97 | 157.8 | -176.4 | -58.6 | 170.2 | 141.1 | 0 | 0 | 110.9 | | |
| 666 | F | 30 | Very low | 32 | Very low | 214 Ų | 214 | 138.7 Ų | 138.7 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | | | trans | -156.6 | 129.7 | 138.6 | -100.8 | -67.7 | 0 | 0 | 0 | 112.3 | | |
| 667 | S | 30.3 | Very low | 32 | Very low | 91 Ų | 91 | 140.2 Ų | 140.2 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | | | trans | -33.8 | 145 | 173.8 | -176.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 668 | S | 31.9 | Very low | 31.8 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | | | cis | 93.3 | 128.9 | 29.6 | 97 | 0 | 0 | 0 | 0 | 115.9 | | |
| 669 | N | 30.8 | Very low | 31.6 | Very low | 145 Ų | 145 | 143 Ų | 143 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | | | trans | 140.9 | 107.3 | 153.3 | -74.3 | -20.4 | 0 | 0 | 0 | 113.9 | | |
| 670 | F | 32.3 | Very low | 31.6 | Very low | 218 Ų | 218 | 143 Ų | 143 | 96% | 0.956 | 80% | 0.795 | S | S | * | * | | | | -174.9 | 131.8 | 120 | -109.9 | -75.5 | 0 | 0 | 0 | 109.9 | | |
| 671 | E | 30.2 | Very low | 31.4 | Very low | 180 Ų | 180 | 144.3 Ų | 144.3 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | | | trans | -132 | 157.6 | -163.7 | 178.2 | 171.5 | -179.3 | 0 | 0 | 111.5 | | |
| 672 | S | 31.4 | Very low | 31.5 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | 124.9 | 143.5 | 161.9 | -59.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 673 | S | 28.9 | Very low | 31.5 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | cis | -169 | 142.6 | -32.7 | -175 | 0 | 0 | 0 | 0 | 107.1 | | |
| 674 | P | 32.3 | Very low | 31.6 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | | | trans | -98.1 | 134.6 | -174.6 | 35.4 | -31.4 | 0 | 0 | 0 | 113.9 | | |
| 675 | V | 37.4 | Very low | 31.3 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | | | trans | -133.6 | 142.7 | 171.2 | -171.7 | 0 | 0 | 0 | 0 | 112 | | |
| 676 | N | 27.3 | Very low | 31.2 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 68% | 0.684 | 79% | 0.79 | S | S | * | * | | | trans | -114.1 | 139.7 | -166.7 | 137.5 | 59 | 0 | 0 | 0 | 111.7 | | |
| 677 | C | 32.6 | Very low | 31.2 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 88% | 0.878 | 79% | 0.785 | S | S | * | * | | | trans | -150.7 | 135.8 | 159.1 | -98.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 678 | R | 28.5 | Very low | 31.1 | Very low | 225 Ų | 225 | 145.9 Ų | 145.9 | 85% | 0.849 | 79% | 0.794 | S | S | * | * | | | trans | -90.1 | 174.5 | 174.5 | -57.1 | 172.7 | 162.4 | -175.8 | -5.5 | 110 | | |
| 679 | S | 30.8 | Very low | 30.9 | Very low | 107 Ų | 107 | 147.8 Ų | 147.8 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | cis | -172.1 | 160.1 | 8.3 | 10.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 680 | A | 30.8 | Very low | 30.7 | Very low | 89 Ų | 89 | 144.8 Ų | 144.8 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | | | trans | 62.4 | 122.3 | 149.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 681 | H | 32.6 | Very low | 30.4 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | | | | 70.1 | 136.1 | 72.3 | -80.2 | -21 | 0 | 0 | 0 | 114.4 | | |
| 682 | Q | 35.8 | Very low | 30.4 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | cis | -154.4 | 138.7 | 44.6 | -65.7 | 175.8 | 46.8 | 0 | 0 | 111.4 | | |
| 683 | L | 34 | Very low | 30.4 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | | | | 73.3 | 148.6 | 92.2 | -64.3 | 174.1 | 0 | 0 | 0 | 120.1 | | |
| 684 | T | 31.7 | Very low | 30.7 | Very low | 134 Ų | 134 | 140 Ų | 140 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | 110.5 | 112.4 | 165.5 | -46.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 685 | R | 27.8 | Very low | 30.6 | Very low | 239 Ų | 239 | 142.1 Ų | 142.1 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | cis | 101.2 | 125.6 | 36.7 | -173.3 | -173.2 | -174.7 | -163 | 1.7 | 111.6 | | |
| 686 | G | 27.1 | Very low | 30.2 | Very low | 62 Ų | 62 | 143.7 Ų | 143.7 | 64% | 0.639 | 79% | 0.786 | S | S | * | * | | | trans | 89.5 | 146.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 687 | Y | 30.8 | Very low | 30.4 | Very low | 214 Ų | 214 | 142.3 Ų | 142.3 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | cis | -144.4 | 158.2 | 18.1 | -77.2 | -99.9 | 0 | 0 | 0 | 112.9 | | |
| 688 | T | 27.2 | Very low | 30.2 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | -80.4 | 133.5 | 162.7 | 43.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 689 | V | 28.2 | Very low | 30.4 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | | | trans | -145.1 | 130.8 | 156.3 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 690 | A | 28 | Very low | 30.3 | Very low | 81 Ų | 81 | 137.7 Ų | 137.7 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | | | trans | 26.1 | 118.3 | 156 | 0 | 0 | 0 | 0 | 0 | 122.1 | S692 | A690-S692 PolarHBondContact O-N 2.93Š|
| 691 | S | 25 | Very low | 30.6 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | | -1.6 | 111.7 | 116.5 | 165.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 692 | S | 31.1 | Very low | 30.5 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -117.4 | 141.8 | 142.1 | 55.3 | 0 | 0 | 0 | 0 | 109 | A690 | A690-S692 PolarHBondContact O-N 2.93Š|
| 693 | K | 31.1 | Very low | 30.1 | Very low | 189 Ų | 189 | 137.8 Ų | 137.8 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | trans | -80.3 | 163.2 | -176.8 | -99.8 | -175.6 | 179.4 | 175.8 | 0 | 111.7 | | |
| 694 | P | 33.8 | Very low | 30.1 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | | | trans | -91.2 | 144.7 | -158.7 | 35.1 | -34.8 | 0 | 0 | 0 | 113.1 | | |
| 695 | D | 31.6 | Very low | 30 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | | | trans | -112.1 | 126.9 | 157.2 | -78.6 | -49.7 | 0 | 0 | 0 | 109.9 | | |
| 696 | H | 29.4 | Very low | 30.2 | Very low | 182 Ų | 182 | 134.8 Ų | 134.8 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | -77.6 | 147 | -179.2 | -71.6 | -96.5 | 0 | 0 | 0 | 111.3 | | |
| 697 | A | 30.4 | Very low | 30.3 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | | -177.6 | 126.6 | 110.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 698 | G | 28.2 | Very low | 30.5 | Very low | 74 Ų | 74 | 131.1 Ų | 131.1 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | | | trans | 68.4 | 114.1 | 147.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 699 | L | 33 | Very low | 30.7 | Very low | 179 Ų | 179 | 131.4 Ų | 131.4 | 94% | 0.937 | 79% | 0.785 | S | S | * | * | | | | -157.9 | 124.8 | 108.7 | -103.4 | 169.1 | 0 | 0 | 0 | 110.2 | | |
| 700 | S | 29.8 | Very low | 31.4 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | trans | -84.1 | 138 | -177.2 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 701 | T | 36 | Very low | 32.1 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | -137.6 | 101.3 | 160 | 41.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 702 | G | 30.7 | Very low | 33.3 | Very low | 69 Ų | 69 | 140 Ų | 140 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | 45.4 | 83.1 | 143.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | S704 | G702-S704 PolarHBondContact O-N 3.16Š|
| 703 | F | 28 | Very low | 34.2 | Very low | 217 Ų | 217 | 138.1 Ų | 138.1 | 95% | 0.952 | 77% | 0.769 | S | S | * | * | | | trans | -68.3 | 84.4 | 153.9 | -76 | -79.8 | 0 | 0 | 0 | 109.8 | | |
| 704 | S | 33.1 | Very low | 35.2 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | trans | -60 | 141.2 | 161.9 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | G702 E706 | G702-S704 PolarHBondContact O-N 3.16Å; S704-E706 PolarHBondContact O-N 3.43Å |
| 705 | K | 29.8 | Very low | 36.4 | Very low | 209 Ų | 209 | 130.6 Ų | 130.6 | 91% | 0.909 | 74% | 0.735 | S | S | * | * | | | trans | -70.4 | 77.9 | 168 | -76.2 | 177.2 | 174.7 | 173.9 | 0 | 108.9 | G707 | K705-G707 PolarHBondContact O-N 2.89Š|
| 706 | E | 31.1 | Very low | 37.8 | Very low | 144 Ų | 144 | 126.8 Ų | 126.8 | 67% | 0.673 | 72% | 0.722 | S | S | * | * | | | trans | -73.5 | 81 | 167.5 | -163.9 | 158.7 | -157.6 | 0 | 0 | 108.1 | S704 T708 | S704-E706 PolarHBondContact O-N 3.43Å; E706-T708 PolarHBondContact O-N 2.92Å |
| 707 | G | 31.1 | Very low | 39.4 | Very low | 61 Ų | 61 | 122.2 Ų | 122.2 | 63% | 0.629 | 70% | 0.702 | S | S | * | * | | | trans | -51.3 | 135.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | K705 H709 | K705-G707 PolarHBondContact O-N 2.89Å; G707-H709 PolarHBondContact O-N 2.95Å |
| 708 | T | 33.4 | Very low | 41.4 | Very low | 137 Ų | 137 | 118 Ų | 118 | 84% | 0.84 | 67% | 0.666 | S | S | * | * | | | trans | -54.9 | 77.2 | -158.1 | 47.3 | 0 | 0 | 0 | 0 | 114.8 | E706 L710 | E706-T708 PolarHBondContact O-N 2.92Å; T708-L710 PolarHBondContact O-N 2.95Å |
| 709 | H | 31.8 | Very low | 43.6 | Very low | 140 Ų | 140 | 118.1 Ų | 118.1 | 65% | 0.648 | 65% | 0.652 | S | S | * | * | | | trans | -77.7 | 77.1 | 162.1 | -164.7 | -61.4 | 0 | 0 | 0 | 105.9 | G707 R711 | G707-H709 PolarHBondContact O-N 2.95Å; H709-R711 VanDerWaalsContact C-N 3.27Å; H709-R711 PolarHBondContact O-N 3.33Å |
| 710 | L | 42.4 | Very low | 45.4 | Very low | 134 Ų | 134 | 115.2 Ų | 115.2 | 70% | 0.702 | 64% | 0.642 | S | S | * | * | | | trans | -49.3 | 99 | 167.9 | -96.2 | 162.5 | 0 | 0 | 0 | 106.9 | T708 E712 | T708-L710 PolarHBondContact O-N 2.95Å; L710-E712 PolarHBondContact O-N 3.48Å |
| 711 | R | 44.2 | Very low | 47.3 | Very low | 190 Ų | 190 | 113 Ų | 113 | 72% | 0.717 | 63% | 0.629 | S | S | * | * | | | trans | -51.4 | 127.9 | 169.2 | -79.3 | -83.1 | -179.6 | 164.5 | -1.8 | 105.1 | H709 T713 | H709-R711 VanDerWaalsContact C-N 3.27Å; H709-R711 PolarHBondContact O-N 3.33Å; R711-T713 PolarHBondContact O-N 2.83Å; R711-T713 PolarHBondContact O-OG1 3.28Å; R711-T713 VanDerWaalsContact O-OG1 3.1Å |
| 712 | E | 49.4 | Very low | 48.9 | Very low | 189 Ų | 189 | 111.5 Ų | 111.5 | 88% | 0.883 | 61% | 0.614 | S | S | * | * | | | trans | -66.1 | 78.7 | -179.4 | -169.3 | 170.1 | -155.8 | 0 | 0 | 108.2 | L710 D714 | L710-E712 PolarHBondContact O-N 3.48Å; E712-D714 PolarHBondContact O-N 3.28Å |
| 713 | T | 50.4 | Low | 50.9 | Low | 78 Ų | 78 | 113.1 Ų | 113.1 | 48% | 0.479 | 60% | 0.599 | S | S | . | * | | | trans | -76.6 | 112.8 | -173.8 | -61.7 | 0 | 0 | 0 | 0 | 107.1 | R711 P715 | R711-T713 PolarHBondContact O-N 2.83Å; R711-T713 PolarHBondContact O-OG1 3.28Å; R711-T713 VanDerWaalsContact O-OG1 3.1Å; T713-P715 VanDerWaalsContact O-N 3.14Å |
| 714 | D | 51.4 | Low | 53.1 | Low | 85 Ų | 85 | 105.4 Ų | 105.4 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | | | trans | -45.5 | 120.1 | 177.6 | 174.1 | -3 | 0 | 0 | 0 | 110 | E712 S716 I717 | E712-D714 PolarHBondContact O-N 3.28Å; D714-S716 PolarHBondContact O-N 3.17Å; D714-S716 WeakPolarHBondContact OD1-CB 3.44Å; D714-S716 PolarHBondContact OD1-N 3.22Å; D714-I717 HydrophobicContact CB-CD1 3.96Å; D714-I717 HydrophobicContact CB-CG1 4.01Å; D714-I717 PolarHBondContact O-N 3.02Å |
| 715 | P | 58.9 | Low | 55.1 | Low | 44 Ų | 44 | 107.4 Ų | 107.4 | 29% | 0.286 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.7 | -11.1 | -177.3 | 25.1 | -34.6 | 0 | 0 | 0 | 113.2 | T713 I717 | T713-P715 VanDerWaalsContact O-N 3.14Å; P715-I717 VanDerWaalsContact C-N 3.32Å |
| 716 | S | 61.3 | Low | 57.2 | Low | 89 Ų | 89 | 100.2 Ų | 100.2 | 62% | 0.622 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -23.7 | 168.6 | -173.4 | 0 | 0 | 0 | 0 | 114.3 | D714 | D714-S716 PolarHBondContact O-N 3.17Å; D714-S716 WeakPolarHBondContact OD1-CB 3.44Å; D714-S716 PolarHBondContact OD1-N 3.22Å |
| 717 | I | 62.7 | Low | 59.2 | Low | 85 Ų | 85 | 101 Ų | 101 | 44% | 0.436 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -18.4 | -173.1 | -35.7 | 176.3 | 0 | 0 | 0 | 111.4 | D714 P715 | D714-I717 HydrophobicContact CB-CD1 3.96Å; D714-I717 HydrophobicContact CB-CG1 4.01Å; D714-I717 PolarHBondContact O-N 3.02Å; P715-I717 VanDerWaalsContact C-N 3.32Å |
| 718 | M | 72.3 | Confident | 61.3 | Low | 12 Ų | 12 | 103.5 Ų | 103.5 | 6% | 0.059 | 54% | 0.535 | C | S | . | . | | | trans | -68 | 130 | -176.5 | -172.3 | 154.1 | 56.9 | 0 | 0 | 112.5 | E722 R723 Q726 | M718-E722 HydrophobicContact CG-CB 3.38Å; M718-E722 HydrophobicContact SD-CB 3.89Å; M718-R723 HydrophobicContact CB-CG 4.49Å; M718-R723 HydrophobicContact CE-CB 4.46Å; M718-R723 HydrophobicContact CE-CG 3.51Å; M718-R723 HydrophobicContact CG-CG 4.11Å; M718-R723 PolarHBondContact O-NE 2.76Å; M718-R723 PolarHBondContact O-NH2 2.9Å; M718-R723 HydrophobicContact SD-CG 4.39Å; M718-Q726 HydrophobicContact CE-CG 4.47Å; M718-Q726 VanDerWaalsContact SD-CD 3.51Å; M718-Q726 HydrophobicContact SD-CG 4.09Å; M718-Q726 PolarHBondContact SD-NE2 2.87Å |
| 719 | T | 75.1 | Confident | 63.4 | Low | 75 Ų | 75 | 102.3 Ų | 102.3 | 46% | 0.46 | 52% | 0.523 | S | S | . | . | | | trans | -63.6 | 161.2 | 176.9 | 63.8 | 0 | 0 | 0 | 0 | 111.6 | A721 E722 R723 | T719-A721 PolarHBondContact O-N 3.38Å; T719-E722 VanDerWaalsContact CB-OE2 3.3Å; T719-E722 WeakPolarHBondContact CB-OE2 3.49Å; T719-E722 WeakPolarHBondContact CG2-OE2 3.45Å; T719-E722 PolarHBondContact N-OE2 3.26Å; T719-E722 PolarHBondContact O-N 3.5Å; T719-E722 WeakPolarHBondContact OG1-CB 3.46Å; T719-E722 VanDerWaalsContact OG1-CD 3.26Å; T719-E722 VanDerWaalsContact OG1-CG 3.26Å; T719-E722 WeakPolarHBondContact OG1-CG 3.49Å; T719-E722 PolarHBondContact OG1-N 3.11Å; T719-E722 PolarHBondContact OG1-OE2 2.85Å; T719-R723 PolarHBondContact O-N 3.2Å |
| 720 | V | 70.5 | Confident | 65.2 | Low | 119 Ų | 119 | 97.3 Ų | 97.3 | 72% | 0.721 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.1 | -38.4 | 176.7 | -179.9 | 0 | 0 | 0 | 0 | 111 | R723 A724 | V720-R723 PolarHBondContact O-N 2.96Å; V720-A724 WeakPolarHBondContact O-CB 3.41Å; V720-A724 PolarHBondContact O-N 3.16Å |
| 721 | A | 70.6 | Confident | 66.4 | Low | 64 Ų | 64 | 96.6 Ų | 96.6 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | T719 A724 K725 | T719-A721 PolarHBondContact O-N 3.38Å; A721-A724 PolarHBondContact O-N 3.14Å; A721-K725 WeakPolarHBondContact O-CG 3.48Å; A721-K725 PolarHBondContact O-N 3.2Å |
| 722 | E | 69.2 | Low | 67.4 | Low | 96 Ų | 96 | 92 Ų | 92 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68 | -38.9 | 174.3 | -72.5 | 163 | 133.9 | 0 | 0 | 112 | M718 T719 A724 K725 Q726 | M718-E722 HydrophobicContact CG-CB 3.38Å; M718-E722 HydrophobicContact SD-CB 3.89Å; T719-E722 VanDerWaalsContact CB-OE2 3.3Å; T719-E722 WeakPolarHBondContact CB-OE2 3.49Å; T719-E722 WeakPolarHBondContact CG2-OE2 3.45Å; T719-E722 PolarHBondContact N-OE2 3.26Å; T719-E722 PolarHBondContact O-N 3.5Å; T719-E722 WeakPolarHBondContact OG1-CB 3.46Å; T719-E722 VanDerWaalsContact OG1-CD 3.26Å; T719-E722 VanDerWaalsContact OG1-CG 3.26Å; T719-E722 WeakPolarHBondContact OG1-CG 3.49Å; T719-E722 PolarHBondContact OG1-N 3.11Å; T719-E722 PolarHBondContact OG1-OE2 2.85Å; E722-A724 PolarHBondContact O-N 2.88Å; E722-K725 PolarHBondContact O-N 3.49Å; E722-Q726 PolarHBondContact O-N 3.41Å |
| 723 | R | 72.7 | Confident | 67.8 | Low | 103 Ų | 103 | 86.3 Ų | 86.3 | 39% | 0.389 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.2 | -46.5 | 171.7 | -99.7 | 178.4 | -84.6 | -167.4 | -9.5 | 111.8 | M718 T719 V720 Q726 W727 | M718-R723 HydrophobicContact CB-CG 4.49Å; M718-R723 HydrophobicContact CE-CB 4.46Å; M718-R723 HydrophobicContact CE-CG 3.51Å; M718-R723 HydrophobicContact CG-CG 4.11Å; M718-R723 PolarHBondContact O-NE 2.76Å; M718-R723 PolarHBondContact O-NH2 2.9Å; M718-R723 HydrophobicContact SD-CG 4.39Å; T719-R723 PolarHBondContact O-N 3.2Å; V720-R723 PolarHBondContact O-N 2.96Å; R723-Q726 PolarHBondContact O-N 3Å; R723-W727 WeakPolarHBondContact O-CB 3.39Å; R723-W727 PolarHBondContact O-N 3.36Å |
| 724 | A | 73.3 | Confident | 67.7 | Low | 55 Ų | 55 | 85.7 Ų | 85.7 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V720 A721 E722 W727 L728 | V720-A724 WeakPolarHBondContact O-CB 3.41Å; V720-A724 PolarHBondContact O-N 3.16Å; A721-A724 PolarHBondContact O-N 3.14Å; E722-A724 PolarHBondContact O-N 2.88Å; A724-W727 PolarHBondContact O-N 3.4Å; A724-L728 WeakPolarHBondContact O-CB 3.3Å; A724-L728 PolarHBondContact O-N 2.96Å |
| 725 | K | 75 | Confident | 67.5 | Low | 146 Ų | 146 | 90.3 Ų | 90.3 | 64% | 0.635 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.6 | -45.8 | 174.9 | -76 | 178.4 | 178.4 | -177.1 | 0 | 112.5 | A721 E722 W727 L728 L729 | A721-K725 WeakPolarHBondContact O-CG 3.48Å; A721-K725 PolarHBondContact O-N 3.2Å; E722-K725 PolarHBondContact O-N 3.49Å; K725-W727 VanDerWaalsContact C-N 3.34Å; K725-W727 PolarHBondContact O-N 3.35Å; K725-L728 PolarHBondContact O-N 3.25Å; K725-L729 WeakPolarHBondContact O-CB 3.43Å; K725-L729 VanDerWaalsContact O-CG 3.3Å; K725-L729 WeakPolarHBondContact O-CG 3.47Å; K725-L729 PolarHBondContact O-N 3.45Å |
| 726 | Q | 73.6 | Confident | 66.7 | Low | 58 Ų | 58 | 99.3 Ų | 99.3 | 27% | 0.271 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 176.2 | -75.1 | -162.3 | 4.4 | 0 | 0 | 111.9 | M718 E722 R723 L729 A730 | M718-Q726 HydrophobicContact CE-CG 4.47Å; M718-Q726 VanDerWaalsContact SD-CD 3.51Å; M718-Q726 HydrophobicContact SD-CG 4.09Å; M718-Q726 PolarHBondContact SD-NE2 2.87Å; E722-Q726 PolarHBondContact O-N 3.41Å; R723-Q726 PolarHBondContact O-N 3Å; Q726-L729 PolarHBondContact O-N 2.93Å; Q726-A730 WeakPolarHBondContact O-CB 3.38Å; Q726-A730 PolarHBondContact O-N 2.86Å |
| 727 | W | 74.1 | Confident | 65.9 | Low | 162 Ų | 162 | 100 Ų | 100 | 61% | 0.614 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.1 | -45.5 | 174.3 | -177.4 | 84.1 | 0 | 0 | 0 | 111.7 | R723 A724 K725 L729 A730 Q731 | R723-W727 WeakPolarHBondContact O-CB 3.39Å; R723-W727 PolarHBondContact O-N 3.36Å; A724-W727 PolarHBondContact O-N 3.4Å; K725-W727 VanDerWaalsContact C-N 3.34Å; K725-W727 PolarHBondContact O-N 3.35Å; W727-L729 VanDerWaalsContact C-N 3.34Å; W727-L729 PolarHBondContact O-N 2.96Å; W727-A730 WeakPolarHBondContact O-CB 3.38Å; W727-A730 PolarHBondContact O-N 2.84Å; W727-A730 VanDerWaalsContact O-N 3.16Å; W727-Q731 HydrophobicContact CD2-CG 4.18Å; W727-Q731 HydrophobicContact CE3-CG 4.32Å; W727-Q731 HydrophobicContact CH2-CG 4.23Å; W727-Q731 HydrophobicContact CZ2-CG 4.08Å; W727-Q731 HydrophobicContact CZ3-CG 4.35Å; W727-Q731 WeakPolarHBondContact O-CG 3.43Å; W727-Q731 PolarHBondContact O-N 3.36Å |
| 728 | L | 75.7 | Confident | 65.3 | Low | 112 Ų | 112 | 102 Ų | 102 | 59% | 0.586 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.3 | -35.5 | 177.2 | -164.4 | 71.4 | 0 | 0 | 0 | 112.6 | A724 K725 Q731 S732 | A724-L728 WeakPolarHBondContact O-CB 3.3Å; A724-L728 PolarHBondContact O-N 2.96Å; K725-L728 PolarHBondContact O-N 3.25Å; L728-Q731 PolarHBondContact O-N 2.64Å; L728-S732 WeakPolarHBondContact O-CB 3.47Å; L728-S732 PolarHBondContact O-N 3.4Å; L728-S732 PolarHBondContact O-OG 3.08Å |
| 729 | L | 75.8 | Confident | 64 | Low | 113 Ų | 113 | 108.7 Ų | 108.7 | 59% | 0.592 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.5 | -36.3 | 172.4 | -73.7 | 167.3 | 0 | 0 | 0 | 112 | K725 Q726 W727 S732 S733 | K725-L729 WeakPolarHBondContact O-CB 3.43Å; K725-L729 VanDerWaalsContact O-CG 3.3Å; K725-L729 WeakPolarHBondContact O-CG 3.47Å; K725-L729 PolarHBondContact O-N 3.45Å; Q726-L729 PolarHBondContact O-N 2.93Å; W727-L729 VanDerWaalsContact C-N 3.34Å; W727-L729 PolarHBondContact O-N 2.96Å; L729-S732 WeakPolarHBondContact CA-OG 3.41Å; L729-S732 PolarHBondContact O-OG 3.42Å; L729-S733 VanDerWaalsContact O-CB 3.27Å; L729-S733 WeakPolarHBondContact O-CB 3.5Å; L729-S733 PolarHBondContact O-N 3.41Å; L729-S733 PolarHBondContact O-OG 2.93Å |
| 730 | A | 70.3 | Confident | 62.5 | Low | 35 Ų | 35 | 113.5 Ų | 113.5 | 29% | 0.289 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.2 | -39.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q726 W727 S733 | Q726-A730 WeakPolarHBondContact O-CB 3.38Å; Q726-A730 PolarHBondContact O-N 2.86Å; W727-A730 WeakPolarHBondContact O-CB 3.38Å; W727-A730 PolarHBondContact O-N 2.84Å; W727-A730 VanDerWaalsContact O-N 3.16Å; A730-S733 PolarHBondContact O-OG 3.22Å |
| 731 | Q | 67.8 | Low | 61.1 | Low | 119 Ų | 119 | 114.4 Ų | 114.4 | 56% | 0.556 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.8 | -45.1 | 173.9 | -64.2 | -62.5 | -15.7 | 0 | 0 | 112.1 | W727 L728 | W727-Q731 HydrophobicContact CD2-CG 4.18Å; W727-Q731 HydrophobicContact CE3-CG 4.32Å; W727-Q731 HydrophobicContact CH2-CG 4.23Å; W727-Q731 HydrophobicContact CZ2-CG 4.08Å; W727-Q731 HydrophobicContact CZ3-CG 4.35Å; W727-Q731 WeakPolarHBondContact O-CG 3.43Å; W727-Q731 PolarHBondContact O-N 3.36Å; L728-Q731 PolarHBondContact O-N 2.64Å |
| 732 | S | 64.7 | Low | 59.8 | Low | 92 Ų | 92 | 116.8 Ų | 116.8 | 64% | 0.643 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -76.7 | -21.2 | -176.4 | 51.7 | 0 | 0 | 0 | 0 | 114.7 | L728 L729 G734 | L728-S732 WeakPolarHBondContact O-CB 3.47Å; L728-S732 PolarHBondContact O-N 3.4Å; L728-S732 PolarHBondContact O-OG 3.08Å; L729-S732 WeakPolarHBondContact CA-OG 3.41Å; L729-S732 PolarHBondContact O-OG 3.42Å; S732-G734 VanDerWaalsContact C-N 3.33Å |
| 733 | S | 58.7 | Low | 58.6 | Low | 70 Ų | 70 | 118.2 Ų | 118.2 | 49% | 0.49 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.2 | -3.3 | 177.7 | 53.7 | 0 | 0 | 0 | 0 | 114.7 | L729 A730 Y735 | L729-S733 VanDerWaalsContact O-CB 3.27Å; L729-S733 WeakPolarHBondContact O-CB 3.5Å; L729-S733 PolarHBondContact O-N 3.41Å; L729-S733 PolarHBondContact O-OG 2.93Å; A730-S733 PolarHBondContact O-OG 3.22Å; S733-Y735 PolarHBondContact O-N 3.34Å |
| 734 | G | 49.1 | Very low | 57.1 | Low | 65 Ų | 65 | 114.9 Ų | 114.9 | 67% | 0.67 | 59% | 0.59 | S | S | * | * | | | trans | 69.6 | -8.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | S732 R736 | S732-G734 VanDerWaalsContact C-N 3.33Å; G734-R736 PolarHBondContact O-N 3.2Å |
| 735 | Y | 45.8 | Very low | 55.4 | Low | 183 Ų | 183 | 116 Ų | 116 | 72% | 0.718 | 61% | 0.606 | S | S | * | * | | | trans | -76.8 | 99.1 | 173.6 | -87.4 | -97.1 | 0 | 0 | 0 | 110.1 | S733 E737 | S733-Y735 PolarHBondContact O-N 3.34Å; Y735-E737 PolarHBondContact O-N 3.03Å |
| 736 | R | 42.7 | Very low | 53.9 | Low | 233 Ų | 233 | 117.6 Ų | 117.6 | 88% | 0.879 | 61% | 0.614 | S | S | * | * | | | trans | -68 | 72.9 | 161.7 | -71.7 | -163.8 | 180 | -142.2 | 3.3 | 110.1 | G734 T738 | G734-R736 PolarHBondContact O-N 3.2Å; R736-T738 PolarHBondContact O-N 2.98Å; R736-T738 PolarHBondContact O-OG1 2.87Å; R736-T738 VanDerWaalsContact O-OG1 3.09Å |
| 737 | E | 44.7 | Very low | 52.5 | Low | 104 Ų | 104 | 118.5 Ų | 118.5 | 49% | 0.486 | 62% | 0.619 | S | S | . | * | | | trans | -80.6 | 69.3 | 172.2 | -170.4 | 143.4 | -170.2 | 0 | 0 | 110.2 | Y735 Q739 R740 | Y735-E737 PolarHBondContact O-N 3.03Å; E737-Q739 PolarHBondContact O-N 2.97Å; E737-R740 HydrophobicContact CG-CG 4.29Å; E737-R740 IonicContact OE1-CZ 3.64Å; E737-R740 IonicContact OE1-NE 2.81Å; E737-R740 PolarHBondContact OE1-NE 3.2Å; E737-R740 IonicContact OE1-NH2 3.65Å |
| 738 | T | 49.3 | Very low | 51 | Low | 127 Ų | 127 | 115.8 Ų | 115.8 | 78% | 0.779 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 14.1 | -173.2 | -23.5 | 0 | 0 | 0 | 0 | 114.9 | R736 | R736-T738 PolarHBondContact O-N 2.98Å; R736-T738 PolarHBondContact O-OG1 2.87Å; R736-T738 VanDerWaalsContact O-OG1 3.09Å |
| 739 | Q | 45.7 | Very low | 49.3 | Very low | 152 Ų | 152 | 116.9 Ų | 116.9 | 71% | 0.71 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132 | -2.7 | -163.5 | -65.7 | -164.4 | 0.6 | 0 | 0 | 116.9 | E737 | E737-Q739 PolarHBondContact O-N 2.97Š|
| 740 | R | 43.9 | Very low | 48 | Very low | 176 Ų | 176 | 117.5 Ų | 117.5 | 66% | 0.664 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -113 | -4.8 | -173.8 | -64.8 | -159.5 | -166.8 | -139.9 | 3.3 | 118 | E737 | E737-R740 HydrophobicContact CG-CG 4.29Å; E737-R740 IonicContact OE1-CZ 3.64Å; E737-R740 IonicContact OE1-NE 2.81Å; E737-R740 PolarHBondContact OE1-NE 3.2Å; E737-R740 IonicContact OE1-NH2 3.65Å |
| 741 | Y | 39.5 | Very low | 47 | Very low | 137 Ų | 137 | 120.7 Ų | 120.7 | 54% | 0.537 | 63% | 0.634 | S | S | . | * | | | trans | -105 | 63.8 | 176.5 | -61.4 | -71.9 | 0 | 0 | 0 | 111.9 | | |
| 742 | S | 43.3 | Very low | 46.1 | Very low | 114 Ų | 114 | 118.8 Ų | 118.8 | 80% | 0.797 | 63% | 0.631 | S | S | * | * | | | trans | -138.2 | 32 | -174.3 | -137.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 743 | T | 43.9 | Very low | 45.2 | Very low | 127 Ų | 127 | 120.2 Ų | 120.2 | 78% | 0.779 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -132.5 | -4.8 | -178.6 | 50.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 744 | S | 41.3 | Very low | 44.4 | Very low | 33 Ų | 33 | 119.8 Ų | 119.8 | 23% | 0.231 | 63% | 0.628 | C | S | . | * | | | trans | -104.1 | 109.4 | 174 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | F746 | S744-F746 PolarHBondContact O-N 2.71Š|
| 745 | G | 38.6 | Very low | 44.3 | Very low | 78 Ų | 78 | 125.2 Ų | 125.2 | 80% | 0.804 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 42.6 | -180 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 746 | F | 44.4 | Very low | 44.5 | Very low | 180 Ų | 180 | 123.8 Ų | 123.8 | 79% | 0.789 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136 | 9.6 | -179.2 | -69.7 | -76 | 0 | 0 | 0 | 112.6 | S744 | S744-F746 PolarHBondContact O-N 2.71Š|
| 747 | I | 43.5 | Very low | 45 | Very low | 77 Ų | 77 | 117.3 Ų | 117.3 | 40% | 0.395 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -84.1 | 119 | 159.5 | -51.3 | 176.1 | 0 | 0 | 0 | 104.8 | Q749 V752 | I747-Q749 PolarHBondContact O-N 3.28Å; I747-Q749 VanDerWaalsContact O-N 3.14Å; I747-V752 HydrophobicContact CG2-CG2 3.53Å |
| 748 | D | 41.6 | Very low | 45.4 | Very low | 104 Ų | 104 | 114.7 Ų | 114.7 | 56% | 0.556 | 61% | 0.614 | S | S | * | * | | | trans | -56.5 | 121.9 | 171 | -69.6 | -43 | 0 | 0 | 0 | 107.5 | D750 L751 | D748-D750 HydrophobicContact CB-CB 4.36Å; D748-D750 PolarHBondContact O-N 3.49Å; D748-L751 HydrophobicContact CB-CB 4.43Å; D748-L751 HydrophobicContact CB-CD1 4.2Å; D748-L751 HydrophobicContact CB-CG 4.23Å; D748-L751 WeakPolarHBondContact O-CB 3.37Å; D748-L751 PolarHBondContact O-N 3.05Å |
| 749 | Q | 41.5 | Very low | 45.7 | Very low | 135 Ų | 135 | 111.6 Ų | 111.6 | 63% | 0.631 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -55.6 | -36.6 | 178 | -138 | 77.3 | 47.8 | 0 | 0 | 109.7 | I747 L751 V752 D753 | I747-Q749 PolarHBondContact O-N 3.28Å; I747-Q749 VanDerWaalsContact O-N 3.14Å; Q749-L751 PolarHBondContact O-N 2.92Å; Q749-L751 VanDerWaalsContact O-N 3.16Å; Q749-V752 WeakPolarHBondContact O-CA 3.4Å; Q749-V752 PolarHBondContact O-N 2.93Å; Q749-D753 PolarHBondContact O-N 3.2Å |
| 750 | D | 47.1 | Very low | 46.1 | Very low | 127 Ų | 127 | 108.1 Ų | 108.1 | 68% | 0.679 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -50 | -32.2 | 170.9 | -50.6 | 6.6 | 0 | 0 | 0 | 113.8 | D748 C754 | D748-D750 HydrophobicContact CB-CB 4.36Å; D748-D750 PolarHBondContact O-N 3.49Å; D750-C754 PolarHBondContact O-SG 3.31Å |
| 751 | L | 50.4 | Low | 46.6 | Very low | 101 Ų | 101 | 105.7 Ų | 105.7 | 53% | 0.529 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -85.4 | -18.7 | 176.2 | -76.1 | 171.9 | 0 | 0 | 0 | 113.5 | D748 Q749 | D748-L751 HydrophobicContact CB-CB 4.43Å; D748-L751 HydrophobicContact CB-CD1 4.2Å; D748-L751 HydrophobicContact CB-CG 4.23Å; D748-L751 WeakPolarHBondContact O-CB 3.37Å; D748-L751 PolarHBondContact O-N 3.05Å; Q749-L751 PolarHBondContact O-N 2.92Å; Q749-L751 VanDerWaalsContact O-N 3.16Å |
| 752 | V | 47.5 | Very low | 47.4 | Very low | 80 Ų | 80 | 102.2 Ų | 102.2 | 49% | 0.485 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -87.6 | -32.4 | 176.5 | -175.2 | 0 | 0 | 0 | 0 | 111 | I747 Q749 C754 | I747-V752 HydrophobicContact CG2-CG2 3.53Å; Q749-V752 WeakPolarHBondContact O-CA 3.4Å; Q749-V752 PolarHBondContact O-N 2.93Å; V752-C754 PolarHBondContact O-N 3.39Å |
| 753 | D | 47.6 | Very low | 48 | Very low | 121 Ų | 121 | 102.2 Ų | 102.2 | 65% | 0.647 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -77.3 | -9.9 | 173.5 | -69 | -23.9 | 0 | 0 | 0 | 112.7 | Q749 Q755 | Q749-D753 PolarHBondContact O-N 3.2Å; D753-Q755 PolarHBondContact O-N 2.89Å |
| 754 | C | 41 | Very low | 48.8 | Very low | 61 Ų | 61 | 99.6 Ų | 99.6 | 41% | 0.412 | 54% | 0.538 | S | S | . | . | | | trans | -73.9 | 66.1 | 169.7 | -75.7 | 0 | 0 | 0 | 0 | 112.6 | D750 V752 D756 L757 | D750-C754 PolarHBondContact O-SG 3.31Å; V752-C754 PolarHBondContact O-N 3.39Å; C754-D756 PolarHBondContact O-N 3.17Å; C754-L757 HydrophobicContact CB-CD1 4.09Å; C754-L757 HydrophobicContact CB-CG 3.94Å; C754-L757 PolarHBondContact O-N 3.05Å |
| 755 | Q | 47.3 | Very low | 49.9 | Very low | 179 Ų | 179 | 103.5 Ų | 103.5 | 84% | 0.836 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -15.7 | 167.9 | -67.7 | -179.4 | 15.3 | 0 | 0 | 112.6 | D753 | D753-Q755 PolarHBondContact O-N 2.89Š|
| 756 | D | 50.3 | Low | 50.6 | Low | 153 Ų | 153 | 105.4 Ų | 105.4 | 82% | 0.818 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 31.4 | 175.4 | -65.7 | -34.8 | 0 | 0 | 0 | 113.5 | C754 V758 | C754-D756 PolarHBondContact O-N 3.17Å; D756-V758 PolarHBondContact O-N 3.42Å |
| 757 | L | 53.4 | Low | 51.2 | Low | 97 Ų | 97 | 104.3 Ų | 104.3 | 51% | 0.508 | 54% | 0.535 | S | S | . | . | | | trans | -70.9 | 78.2 | 167 | -90.1 | 167.7 | 0 | 0 | 0 | 110.7 | C754 | C754-L757 HydrophobicContact CB-CD1 4.09Å; C754-L757 HydrophobicContact CB-CG 3.94Å; C754-L757 PolarHBondContact O-N 3.05Å |
| 758 | V | 53 | Low | 51.7 | Low | 50 Ų | 50 | 105.1 Ų | 105.1 | 30% | 0.303 | 54% | 0.541 | S | S | . | . | | | trans | -48.5 | 126.7 | 166.8 | -178 | 0 | 0 | 0 | 0 | 108.4 | D756 D762 R763 M766 | D756-V758 PolarHBondContact O-N 3.42Å; V758-D762 HydrophobicContact CG1-CB 3.54Å; V758-R763 HydrophobicContact CB-CG 3.8Å; V758-R763 HydrophobicContact CG1-CG 3.72Å; V758-R763 PolarHBondContact O-NE 3.04Å; V758-R763 PolarHBondContact O-NH2 3.29Å; V758-M766 HydrophobicContact CG1-CE 4.39Å |
| 759 | P | 55.1 | Low | 52.2 | Low | 62 Ų | 62 | 105.3 Ų | 105.3 | 40% | 0.403 | 54% | 0.54 | S | S | . | . | | | trans | -49.1 | 154 | 178.1 | -29.6 | 35.2 | 0 | 0 | 0 | 112.4 | E761 D762 R763 | P759-E761 WeakPolarHBondContact CB-OE2 3.26Å; P759-E761 PolarHBondContact O-N 3.05Å; P759-D762 HydrophobicContact CB-CB 4.34Å; P759-D762 PolarHBondContact O-N 3.15Å; P759-D762 VanDerWaalsContact O-N 3.14Å; P759-R763 PolarHBondContact O-N 3.06Å |
| 760 | V | 53.6 | Low | 52.5 | Low | 79 Ų | 79 | 100.8 Ų | 100.8 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.5 | -37.3 | 177.8 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | D762 R763 V764 | V760-D762 PolarHBondContact O-N 3.3Å; V760-R763 PolarHBondContact O-N 2.81Å; V760-V764 HydrophobicContact CG1-CG2 4.26Å; V760-V764 WeakPolarHBondContact O-CB 3.48Å; V760-V764 VanDerWaalsContact O-CG2 3.26Å; V760-V764 WeakPolarHBondContact O-CG2 3.26Å; V760-V764 PolarHBondContact O-N 2.76Å |
| 761 | E | 55.6 | Low | 52.6 | Low | 124 Ų | 124 | 97.3 Ų | 97.3 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.8 | -41.2 | 177.8 | -58.7 | 66.6 | -145.8 | 0 | 0 | 111.5 | P759 K765 | P759-E761 WeakPolarHBondContact CB-OE2 3.26Å; P759-E761 PolarHBondContact O-N 3.05Å; E761-K765 VanDerWaalsContact O-CG 3.28Å; E761-K765 WeakPolarHBondContact O-CG 3.17Å; E761-K765 PolarHBondContact O-N 3Å |
| 762 | D | 55.6 | Low | 52.4 | Low | 64 Ų | 64 | 95.2 Ų | 95.2 | 34% | 0.342 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -82.9 | -26.3 | 178.7 | -70 | -22.1 | 0 | 0 | 0 | 112.2 | V758 P759 V760 K765 M766 | V758-D762 HydrophobicContact CG1-CB 3.54Å; P759-D762 HydrophobicContact CB-CB 4.34Å; P759-D762 PolarHBondContact O-N 3.15Å; P759-D762 VanDerWaalsContact O-N 3.14Å; V760-D762 PolarHBondContact O-N 3.3Å; D762-K765 IonicContact OD1-NZ 2.85Å; D762-K765 PolarHBondContact OD1-NZ 3.21Å; D762-M766 WeakPolarHBondContact O-CB 3.47Å; D762-M766 WeakPolarHBondContact O-CG 3.48Å; D762-M766 PolarHBondContact O-N 2.68Å |
| 763 | R | 56.3 | Low | 52.4 | Low | 114 Ų | 114 | 96.7 Ų | 96.7 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.1 | -40.8 | 167.4 | -75.2 | -177.2 | -70.6 | -157.8 | -4 | 111.8 | V758 P759 V760 M766 F767 | V758-R763 HydrophobicContact CB-CG 3.8Å; V758-R763 HydrophobicContact CG1-CG 3.72Å; V758-R763 PolarHBondContact O-NE 3.04Å; V758-R763 PolarHBondContact O-NH2 3.29Å; P759-R763 PolarHBondContact O-N 3.06Å; V760-R763 PolarHBondContact O-N 2.81Å; R763-M766 PolarHBondContact O-N 3.19Å; R763-F767 VanDerWaalsContact O-CB 3.28Å; R763-F767 WeakPolarHBondContact O-CB 3.34Å; R763-F767 PolarHBondContact O-N 2.95Å |
| 764 | V | 61 | Low | 52.3 | Low | 72 Ų | 72 | 93.8 Ų | 93.8 | 44% | 0.436 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 172.8 | 169.8 | 0 | 0 | 0 | 0 | 109.5 | V760 M766 F767 D768 | V760-V764 HydrophobicContact CG1-CG2 4.26Å; V760-V764 WeakPolarHBondContact O-CB 3.48Å; V760-V764 VanDerWaalsContact O-CG2 3.26Å; V760-V764 WeakPolarHBondContact O-CG2 3.26Å; V760-V764 PolarHBondContact O-N 2.76Å; V764-M766 PolarHBondContact O-N 3.45Å; V764-F767 CarbonylContact O-C 3.54Å; V764-F767 PolarHBondContact O-N 3.43Å; V764-D768 WeakPolarHBondContact CG1-OD2 3.43Å; V764-D768 WeakPolarHBondContact O-CB 3.31Å; V764-D768 VanDerWaalsContact O-CG 3.26Å; V764-D768 PolarHBondContact O-N 3.41Å |
| 765 | K | 62.7 | Low | 52.5 | Low | 115 Ų | 115 | 99 Ų | 99 | 50% | 0.5 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57.7 | -44.6 | 171.3 | -74 | 173.4 | -158.8 | 154.5 | 0 | 113 | E761 D762 F767 D768 I769 | E761-K765 VanDerWaalsContact O-CG 3.28Å; E761-K765 WeakPolarHBondContact O-CG 3.17Å; E761-K765 PolarHBondContact O-N 3Å; D762-K765 IonicContact OD1-NZ 2.85Å; D762-K765 PolarHBondContact OD1-NZ 3.21Å; K765-F767 VanDerWaalsContact C-N 3.27Å; K765-F767 PolarHBondContact O-N 3.49Å; K765-D768 PolarHBondContact O-N 2.82Å; K765-I769 VanDerWaalsContact O-CB 3.23Å; K765-I769 WeakPolarHBondContact O-CB 3.35Å; K765-I769 WeakPolarHBondContact O-CD1 3.46Å; K765-I769 WeakPolarHBondContact O-CG1 3.26Å; K765-I769 PolarHBondContact O-N 2.95Å |
| 766 | M | 55 | Low | 52.2 | Low | 119 Ų | 119 | 97 Ų | 97 | 59% | 0.586 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.3 | -30.4 | 176.4 | -75.3 | -155.9 | -50.9 | 0 | 0 | 112.4 | V758 D762 R763 V764 G770 | V758-M766 HydrophobicContact CG1-CE 4.39Å; D762-M766 WeakPolarHBondContact O-CB 3.47Å; D762-M766 WeakPolarHBondContact O-CG 3.48Å; D762-M766 PolarHBondContact O-N 2.68Å; R763-M766 PolarHBondContact O-N 3.19Å; V764-M766 PolarHBondContact O-N 3.45Å; M766-G770 PolarHBondContact O-N 3.36Å |
| 767 | F | 56.4 | Low | 51.6 | Low | 157 Ų | 157 | 94.8 Ų | 94.8 | 69% | 0.689 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -74.9 | -39.6 | 175.5 | -160.6 | -92.3 | 0 | 0 | 0 | 111.7 | R763 V764 K765 G770 A771 | R763-F767 VanDerWaalsContact O-CB 3.28Å; R763-F767 WeakPolarHBondContact O-CB 3.34Å; R763-F767 PolarHBondContact O-N 2.95Å; V764-F767 CarbonylContact O-C 3.54Å; V764-F767 PolarHBondContact O-N 3.43Å; K765-F767 VanDerWaalsContact C-N 3.27Å; K765-F767 PolarHBondContact O-N 3.49Å; F767-G770 CarbonylContact O-C 3.59Å; F767-G770 PolarHBondContact O-N 3.1Å; F767-A771 VanDerWaalsContact O-CB 3.27Å; F767-A771 WeakPolarHBondContact O-CB 3.2Å; F767-A771 PolarHBondContact O-N 3.27Å |
| 768 | D | 53 | Low | 51 | Low | 94 Ų | 94 | 99.3 Ų | 99.3 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.3 | -37.6 | 174 | -68 | -23.7 | 0 | 0 | 0 | 111.2 | V764 K765 S772 | V764-D768 WeakPolarHBondContact CG1-OD2 3.43Å; V764-D768 WeakPolarHBondContact O-CB 3.31Å; V764-D768 VanDerWaalsContact O-CG 3.26Å; V764-D768 PolarHBondContact O-N 3.41Å; K765-D768 PolarHBondContact O-N 2.82Å; D768-S772 WeakPolarHBondContact O-CB 3.21Å; D768-S772 PolarHBondContact O-N 3.21Å; D768-S772 PolarHBondContact O-OG 2.83Å |
| 769 | I | 52.6 | Low | 50.5 | Low | 107 Ų | 107 | 105.6 Ų | 105.6 | 55% | 0.549 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.6 | -40.3 | 169.1 | -68.6 | 163 | 0 | 0 | 0 | 109.7 | K765 S772 L773 | K765-I769 VanDerWaalsContact O-CB 3.23Å; K765-I769 WeakPolarHBondContact O-CB 3.35Å; K765-I769 WeakPolarHBondContact O-CD1 3.46Å; K765-I769 WeakPolarHBondContact O-CG1 3.26Å; K765-I769 PolarHBondContact O-N 2.95Å; I769-S772 WeakPolarHBondContact CA-OG 3.46Å; I769-S772 PolarHBondContact O-OG 3.3Å; I769-L773 WeakPolarHBondContact O-CB 3.35Å; I769-L773 PolarHBondContact O-N 3.38Å |
| 770 | G | 49.1 | Very low | 49.4 | Very low | 41 Ų | 41 | 108 Ų | 108 | 42% | 0.423 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.5 | -39.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | M766 F767 G774 | M766-G770 PolarHBondContact O-N 3.36Å; F767-G770 CarbonylContact O-C 3.59Å; F767-G770 PolarHBondContact O-N 3.1Å; G770-G774 PolarHBondContact O-N 2.73Å |
| 771 | A | 48.7 | Very low | 48.8 | Very low | 53 Ų | 53 | 109 Ų | 109 | 44% | 0.438 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -74.9 | -40.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F767 G774 Q775 | F767-A771 VanDerWaalsContact O-CB 3.27Å; F767-A771 WeakPolarHBondContact O-CB 3.2Å; F767-A771 PolarHBondContact O-N 3.27Å; A771-G774 PolarHBondContact O-N 2.88Å; A771-Q775 PolarHBondContact O-N 2.97Å; A771-Q775 VanDerWaalsContact O-N 3.15Å |
| 772 | S | 46.1 | Very low | 48 | Very low | 58 Ų | 58 | 110.4 Ų | 110.4 | 41% | 0.406 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -71.5 | -34.6 | 173 | 59.3 | 0 | 0 | 0 | 0 | 112.2 | D768 I769 G774 Q775 Q776 | D768-S772 WeakPolarHBondContact O-CB 3.21Å; D768-S772 PolarHBondContact O-N 3.21Å; D768-S772 PolarHBondContact O-OG 2.83Å; I769-S772 WeakPolarHBondContact CA-OG 3.46Å; I769-S772 PolarHBondContact O-OG 3.3Å; S772-G774 VanDerWaalsContact C-N 3.32Å; S772-Q775 CarbonylContact O-C 3.54Å; S772-Q775 PolarHBondContact O-N 2.8Å; S772-Q776 VanDerWaalsContact O-CB 3.32Å; S772-Q776 WeakPolarHBondContact O-CB 3.49Å; S772-Q776 WeakPolarHBondContact O-CG 3.43Å; S772-Q776 PolarHBondContact O-N 3.31Å |
| 773 | L | 47.8 | Very low | 47.5 | Very low | 110 Ų | 110 | 113 Ų | 113 | 58% | 0.576 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.5 | -38.9 | 169.1 | -169.6 | 68.3 | 0 | 0 | 0 | 110.8 | I769 Q775 Q776 T777 | I769-L773 WeakPolarHBondContact O-CB 3.35Å; I769-L773 PolarHBondContact O-N 3.38Å; L773-Q775 PolarHBondContact O-N 3.2Å; L773-Q776 PolarHBondContact O-N 2.85Å; L773-T777 WeakPolarHBondContact O-CB 3.4Å; L773-T777 PolarHBondContact O-N 2.9Å; L773-T777 PolarHBondContact O-OG1 3.2Å |
| 774 | G | 44.7 | Very low | 47.2 | Very low | 60 Ų | 60 | 116.4 Ų | 116.4 | 62% | 0.619 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -59.2 | -27.1 | 172 | 0 | 0 | 0 | 0 | 0 | 114.7 | G770 A771 S772 | G770-G774 PolarHBondContact O-N 2.73Å; A771-G774 PolarHBondContact O-N 2.88Å; S772-G774 VanDerWaalsContact C-N 3.32Å |
| 775 | Q | 45.4 | Very low | 46.7 | Very low | 170 Ų | 170 | 115.6 Ų | 115.6 | 79% | 0.794 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -105.4 | -15.6 | 176.4 | -63.6 | -162.1 | 11.3 | 0 | 0 | 114.8 | A771 S772 L773 | A771-Q775 PolarHBondContact O-N 2.97Å; A771-Q775 VanDerWaalsContact O-N 3.15Å; S772-Q775 CarbonylContact O-C 3.54Å; S772-Q775 PolarHBondContact O-N 2.8Å; L773-Q775 PolarHBondContact O-N 3.2Å |
| 776 | Q | 40.8 | Very low | 46 | Very low | 137 Ų | 137 | 116.7 Ų | 116.7 | 64% | 0.64 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -91.6 | -12.1 | 173.5 | -73.6 | -161.6 | -1.3 | 0 | 0 | 114.1 | S772 L773 E778 K779 | S772-Q776 VanDerWaalsContact O-CB 3.32Å; S772-Q776 WeakPolarHBondContact O-CB 3.49Å; S772-Q776 WeakPolarHBondContact O-CG 3.43Å; S772-Q776 PolarHBondContact O-N 3.31Å; L773-Q776 PolarHBondContact O-N 2.85Å; Q776-E778 PolarHBondContact O-N 3.39Å; Q776-K779 PolarHBondContact O-N 3.24Å |
| 777 | T | 37.1 | Very low | 45.8 | Very low | 107 Ų | 107 | 116.8 Ų | 116.8 | 66% | 0.656 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -11.3 | -179.1 | -64.7 | 0 | 0 | 0 | 0 | 113.9 | L773 | L773-T777 WeakPolarHBondContact O-CB 3.4Å; L773-T777 PolarHBondContact O-N 2.9Å; L773-T777 PolarHBondContact O-OG1 3.2Å |
| 778 | E | 42.3 | Very low | 45.7 | Very low | 192 Ų | 192 | 114.8 Ų | 114.8 | 90% | 0.897 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 0.8 | 171.8 | -130.3 | 179.7 | -163.4 | 0 | 0 | 115.1 | Q776 | Q776-E778 PolarHBondContact O-N 3.39Š|
| 779 | K | 41.5 | Very low | 45.8 | Very low | 183 Ų | 183 | 117.2 Ų | 117.2 | 80% | 0.796 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -132.1 | 71.1 | 172.8 | -71.5 | -167.2 | 178.4 | -178.4 | 0 | 112.5 | Q776 P781 | Q776-K779 PolarHBondContact O-N 3.24Å; K779-P781 WeakPolarHBondContact O-CD 3.3Å |
| 780 | S | 32.7 | Very low | 45.7 | Very low | 113 Ų | 113 | 117.3 Ų | 117.3 | 79% | 0.79 | 64% | 0.637 | S | S | * | * | | | trans | -44.1 | 121.1 | 175.3 | 156.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 781 | P | 39.6 | Very low | 45.8 | Very low | 98 Ų | 98 | 119.6 Ų | 119.6 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | | | trans | -118.4 | 110.2 | 154.3 | 16.7 | 7.6 | 0 | 0 | 0 | 110.9 | K779 V783 | K779-P781 WeakPolarHBondContact O-CD 3.3Å; P781-V783 PolarHBondContact O-N 3.43Å; P781-V783 VanDerWaalsContact O-N 3.08Å |
| 782 | E | 39 | Very low | 46.2 | Very low | 155 Ų | 155 | 123.6 Ų | 123.6 | 72% | 0.724 | 65% | 0.653 | S | S | * | * | | | trans | 60.4 | 23.8 | 140.2 | -152.7 | 141.8 | -146.4 | 0 | 0 | 122.1 | K784 S785 | E782-K784 PolarHBondContact O-N 3.49Å; E782-K784 VanDerWaalsContact O-N 3.13Å; E782-S785 PolarHBondContact O-OG 3.44Å |
| 783 | V | 46.5 | Very low | 46.6 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 71% | 0.709 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -75.5 | 5.1 | 170.3 | -165.4 | 0 | 0 | 0 | 0 | 113.5 | P781 | P781-V783 PolarHBondContact O-N 3.43Å; P781-V783 VanDerWaalsContact O-N 3.08Å |
| 784 | K | 48.5 | Very low | 46.8 | Very low | 187 Ų | 187 | 133.2 Ų | 133.2 | 81% | 0.813 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -88.6 | -22.1 | -178 | -72.5 | -177.9 | 179.9 | 173.2 | 0 | 114.4 | E782 Q788 | E782-K784 PolarHBondContact O-N 3.49Å; E782-K784 VanDerWaalsContact O-N 3.13Å; K784-Q788 WeakPolarHBondContact O-CB 3.36Å |
| 785 | S | 52 | Low | 46.7 | Very low | 55 Ų | 55 | 138.7 Ų | 138.7 | 39% | 0.385 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -74.3 | -50.2 | 178.9 | 47.8 | 0 | 0 | 0 | 0 | 111.3 | E782 L787 Q788 E789 | E782-S785 PolarHBondContact O-OG 3.44Å; S785-L787 PolarHBondContact O-N 2.85Å; S785-Q788 CarbonylContact O-C 3.55Å; S785-Q788 WeakPolarHBondContact O-CA 3.16Å; S785-Q788 WeakPolarHBondContact O-CB 3.3Å; S785-Q788 PolarHBondContact O-N 2.99Å; S785-E789 PolarHBondContact O-N 3.34Å |
| 786 | E | 47.3 | Very low | 46.3 | Very low | 137 Ų | 137 | 136 Ų | 136 | 64% | 0.64 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -65.1 | -39.2 | -173.4 | -154.8 | 171.6 | -152.9 | 0 | 0 | 113 | Q788 E789 L790 | E786-Q788 VanDerWaalsContact C-N 3.34Å; E786-E789 PolarHBondContact O-N 3.15Å; E786-L790 PolarHBondContact O-N 3.14Å |
| 787 | L | 51.2 | Low | 46.3 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 64% | 0.639 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -69.4 | -31.7 | 173 | -158.9 | 77.7 | 0 | 0 | 0 | 112.3 | S785 C791 | S785-L787 PolarHBondContact O-N 2.85Å; L787-C791 WeakPolarHBondContact O-CB 3.43Å; L787-C791 PolarHBondContact O-N 2.88Å; L787-C791 VanDerWaalsContact O-N 3.07Å; L787-C791 PolarHBondContact O-SG 2.77Å |
| 788 | Q | 53.1 | Low | 46.2 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 54% | 0.537 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -74.6 | -33.7 | 176.9 | -167.2 | 177.6 | 55.6 | 0 | 0 | 111.9 | K784 S785 E786 K792 | K784-Q788 WeakPolarHBondContact O-CB 3.36Å; S785-Q788 CarbonylContact O-C 3.55Å; S785-Q788 WeakPolarHBondContact O-CA 3.16Å; S785-Q788 WeakPolarHBondContact O-CB 3.3Å; S785-Q788 PolarHBondContact O-N 2.99Å; E786-Q788 VanDerWaalsContact C-N 3.34Å; Q788-K792 WeakPolarHBondContact O-CG 3.25Å; Q788-K792 PolarHBondContact O-N 3.06Å; Q788-K792 VanDerWaalsContact O-N 3.09Å |
| 789 | E | 56.2 | Low | 45.9 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 67% | 0.673 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -66.7 | -45.3 | 170.4 | -70.6 | -148.5 | 144.7 | 0 | 0 | 111.8 | S785 E786 C791 K792 K793 | S785-E789 PolarHBondContact O-N 3.34Å; E786-E789 PolarHBondContact O-N 3.15Å; E789-C791 VanDerWaalsContact C-N 3.3Å; E789-C791 PolarHBondContact O-N 2.96Å; E789-K792 PolarHBondContact O-N 3.45Å; E789-K792 VanDerWaalsContact O-N 3.11Å; E789-K793 VanDerWaalsContact O-CB 3.29Å; E789-K793 WeakPolarHBondContact O-CB 3.41Å; E789-K793 PolarHBondContact O-N 3.05Å |
| 790 | L | 51.2 | Low | 45.7 | Very low | 110 Ų | 110 | 138 Ų | 138 | 58% | 0.576 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -61.7 | -36.1 | 176.6 | -81 | 164 | 0 | 0 | 0 | 112.9 | E786 K793 | E786-L790 PolarHBondContact O-N 3.14Å; L790-K793 PolarHBondContact O-N 3.27Å |
| 791 | C | 51.3 | Low | 45.9 | Very low | 89 Ų | 89 | 139.7 Ų | 139.7 | 60% | 0.601 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -68.6 | -35.2 | 172.8 | -74.5 | 0 | 0 | 0 | 0 | 113.2 | L787 E789 | L787-C791 WeakPolarHBondContact O-CB 3.43Å; L787-C791 PolarHBondContact O-N 2.88Å; L787-C791 VanDerWaalsContact O-N 3.07Å; L787-C791 PolarHBondContact O-SG 2.77Å; E789-C791 VanDerWaalsContact C-N 3.3Å; E789-C791 PolarHBondContact O-N 2.96Å |
| 792 | K | 56.6 | Low | 45.7 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 60% | 0.596 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -73.3 | -35.1 | 173.9 | -73.7 | 171.2 | 179.2 | 172 | 0 | 112.3 | Q788 E789 K794 Q795 | Q788-K792 WeakPolarHBondContact O-CG 3.25Å; Q788-K792 PolarHBondContact O-N 3.06Å; Q788-K792 VanDerWaalsContact O-N 3.09Å; E789-K792 PolarHBondContact O-N 3.45Å; E789-K792 VanDerWaalsContact O-N 3.11Å; K792-K794 PolarHBondContact O-N 3.3Å; K792-Q795 PolarHBondContact O-N 2.88Å; K792-Q795 VanDerWaalsContact O-N 3.14Å |
| 793 | K | 54.4 | Low | 45.5 | Very low | 174 Ų | 174 | 141.4 Ų | 141.4 | 76% | 0.757 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -71.4 | -10.8 | -176.2 | -159.1 | 166 | -174.6 | 171.8 | 0 | 114.3 | E789 L790 | E789-K793 VanDerWaalsContact O-CB 3.29Å; E789-K793 WeakPolarHBondContact O-CB 3.41Å; E789-K793 PolarHBondContact O-N 3.05Å; L790-K793 PolarHBondContact O-N 3.27Å |
| 794 | K | 51.9 | Low | 44.9 | Very low | 196 Ų | 196 | 144.4 Ų | 144.4 | 85% | 0.852 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 0.1 | 170.6 | -79.3 | -161.3 | 173.7 | -173.6 | 0 | 115.3 | K792 V796 | K792-K794 PolarHBondContact O-N 3.3Å; K794-V796 PolarHBondContact O-N 2.88Å |
| 795 | Q | 42.2 | Very low | 44.1 | Very low | 175 Ų | 175 | 144.8 Ų | 144.8 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | | | trans | -97.8 | 73.8 | 169.7 | -74.9 | -168.4 | -12.5 | 0 | 0 | 111.5 | K792 | K792-Q795 PolarHBondContact O-N 2.88Å; K792-Q795 VanDerWaalsContact O-N 3.14Å |
| 796 | V | 36.6 | Very low | 43.5 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 68% | 0.679 | 73% | 0.733 | S | S | * | * | | | trans | -131.1 | 102.9 | 169.2 | -176 | 0 | 0 | 0 | 0 | 110.7 | K794 | K794-V796 PolarHBondContact O-N 2.88Š|
| 797 | K | 40.6 | Very low | 42.9 | Very low | 192 Ų | 192 | 147.7 Ų | 147.7 | 84% | 0.835 | 74% | 0.742 | S | S | * | * | | | trans | 39.2 | 103.7 | 153.3 | -60.8 | -174.7 | 176.2 | -173.5 | 0 | 118.3 | | |
| 798 | F | 35.5 | Very low | 42.3 | Very low | 218 Ų | 218 | 147.8 Ų | 147.8 | 96% | 0.956 | 75% | 0.753 | S | S | * | * | | | | -111.5 | 139.8 | 128.4 | -94 | -89.3 | 0 | 0 | 0 | 108.7 | | |
| 799 | G | 37 | Very low | 41.3 | Very low | 72 Ų | 72 | 147.4 Ų | 147.4 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | | | trans | -80.3 | 153.9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 800 | E | 35.4 | Very low | 40.2 | Very low | 180 Ų | 180 | 146.4 Ų | 146.4 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | | | trans | -12.3 | 130.1 | 159.4 | -63.9 | 160 | 156.5 | 0 | 0 | 117.2 | | |
| 801 | N | 38.4 | Very low | 39.5 | Very low | 148 Ų | 148 | 150.6 Ų | 150.6 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | | -165.1 | 101.9 | 123.2 | -98.8 | -45.6 | 0 | 0 | 0 | 112.4 | | |
| 802 | N | 35.1 | Very low | 38.4 | Very low | 137 Ų | 137 | 151.3 Ų | 151.3 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | trans | 59.5 | 139.4 | 142.4 | -67.8 | -62.8 | 0 | 0 | 0 | 123.4 | | |
| 803 | L | 34.4 | Very low | 37.3 | Very low | 152 Ų | 152 | 150.4 Ų | 150.4 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | | | trans | 90.4 | 107.6 | 156.1 | -64.9 | 141.1 | 0 | 0 | 0 | 120.2 | | |
| 804 | Q | 34.9 | Very low | 36.1 | Very low | 180 Ų | 180 | 148.8 Ų | 148.8 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | | | trans | 68.1 | 87.1 | 147.3 | -79.1 | 161.5 | -45.2 | 0 | 0 | 121.3 | | |
| 805 | K | 31.9 | Very low | 35.2 | Very low | 196 Ų | 196 | 146.1 Ų | 146.1 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | | | trans | -51 | 164.7 | 130.4 | -82.1 | -175.6 | 178.3 | -178.9 | 0 | 111.6 | | |
| 806 | P | 38.8 | Very low | 34.8 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | | | cis | -148.4 | -176.5 | 32.6 | 46.8 | -27.1 | 0 | 0 | 0 | 118.8 | | |
| 807 | D | 34.3 | Very low | 34.5 | Very low | 153 Ų | 153 | 145 Ų | 145 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | 60.5 | 86.4 | 149.7 | -54.8 | -25.1 | 0 | 0 | 0 | 121.6 | | |
| 808 | S | 39.1 | Very low | 34.2 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | | | | -145 | 140 | 124.2 | 51.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 809 | S | 31.3 | Very low | 33.9 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | -82.1 | 150.6 | -169.8 | 52.5 | 0 | 0 | 0 | 0 | 112.9 | K811 | S809-K811 PolarHBondContact O-N 2.63Š|
| 810 | P | 34.3 | Very low | 33.5 | Very low | 124 Ų | 124 | 141 Ų | 141 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | | | trans | -74.6 | 103.4 | -178.1 | 30.1 | -33.8 | 0 | 0 | 0 | 110.2 | S812 | P810-S812 PolarHBondContact O-N 3.04Š|
| 811 | K | 35.1 | Very low | 33.3 | Very low | 198 Ų | 198 | 137.5 Ų | 137.5 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | | | trans | -71.4 | 95.8 | 166.3 | -120.4 | 172.8 | -175.6 | 171.6 | 0 | 108.5 | S809 T813 | S809-K811 PolarHBondContact O-N 2.63Å; K811-T813 VanDerWaalsContact C-N 3.28Å; K811-T813 PolarHBondContact O-N 3.3Å |
| 812 | S | 30 | Very low | 32.8 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | trans | -66.4 | 87.1 | 170.1 | 47.3 | 0 | 0 | 0 | 0 | 109.9 | P810 N814 | P810-S812 PolarHBondContact O-N 3.04Å; S812-N814 VanDerWaalsContact C-N 3.27Å; S812-N814 PolarHBondContact O-N 3.12Å |
| 813 | T | 33.4 | Very low | 32.5 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | | | trans | -65.9 | 96.7 | 159.1 | 40.7 | 0 | 0 | 0 | 0 | 107.4 | K811 L815 | K811-T813 VanDerWaalsContact C-N 3.28Å; K811-T813 PolarHBondContact O-N 3.3Å; T813-L815 PolarHBondContact O-N 3.47Å |
| 814 | N | 29.1 | Very low | 32.2 | Very low | 140 Ų | 140 | 132 Ų | 132 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | | | trans | -48.1 | 98.4 | 149.5 | -87.1 | -70.8 | 0 | 0 | 0 | 106.9 | S812 T816 | S812-N814 VanDerWaalsContact C-N 3.27Å; S812-N814 PolarHBondContact O-N 3.12Å; N814-T816 HydrophobicContact CB-CG2 4.45Å; N814-T816 PolarHBondContact O-N 3.33Å |
| 815 | L | 32.3 | Very low | 32 | Very low | 139 Ų | 139 | 130.7 Ų | 130.7 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | | | trans | -72.2 | 79.9 | 156 | -72.7 | 178.7 | 0 | 0 | 0 | 105.5 | T813 | T813-L815 PolarHBondContact O-N 3.47Š|
| 816 | T | 34.1 | Very low | 31.9 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 60% | 0.595 | 74% | 0.743 | S | S | * | * | | | trans | -40.1 | 148.3 | 165 | 40.4 | 0 | 0 | 0 | 0 | 110 | N814 K818 | N814-T816 HydrophobicContact CB-CG2 4.45Å; N814-T816 PolarHBondContact O-N 3.33Å; T816-K818 VanDerWaalsContact C-N 3.28Å; T816-K818 PolarHBondContact O-N 2.86Å |
| 817 | N | 29.4 | Very low | 31.5 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 89% | 0.893 | 75% | 0.752 | S | S | * | * | | | trans | -46.4 | 92.2 | 172 | -61.3 | -38.7 | 0 | 0 | 0 | 110.3 | S819 | N817-S819 PolarHBondContact O-N 2.96Š|
| 818 | K | 35.1 | Very low | 31.4 | Very low | 165 Ų | 165 | 131.6 Ų | 131.6 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | | | trans | -77.3 | 81.7 | 169.3 | -69.4 | -168.5 | -177.1 | -177.3 | 0 | 105.7 | T816 V820 | T816-K818 VanDerWaalsContact C-N 3.28Å; T816-K818 PolarHBondContact O-N 2.86Å; K818-V820 PolarHBondContact O-N 3.07Å |
| 819 | S | 29.8 | Very low | 30.8 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | | | trans | -28.3 | 112.3 | 156.7 | 167.4 | 0 | 0 | 0 | 0 | 108.3 | N817 T821 | N817-S819 PolarHBondContact O-N 2.96Å; S819-T821 PolarHBondContact O-N 3.49Å |
| 820 | V | 28.7 | Very low | 31 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | | | trans | -69.2 | 87.5 | 162.9 | 179 | 0 | 0 | 0 | 0 | 104.4 | K818 S822 | K818-V820 PolarHBondContact O-N 3.07Å; V820-S822 PolarHBondContact O-N 3.23Å |
| 821 | T | 30.3 | Very low | 30.9 | Very low | 105 Ų | 105 | 137 Ų | 137 | 64% | 0.644 | 75% | 0.745 | S | S | * | * | | | trans | -52.2 | 115.6 | 176.2 | -55.6 | 0 | 0 | 0 | 0 | 106.8 | S819 V823 | S819-T821 PolarHBondContact O-N 3.49Å; T821-V823 PolarHBondContact O-N 3.13Å |
| 822 | S | 28.5 | Very low | 30.7 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | | | trans | -51.5 | 114.4 | 174.3 | 50.9 | 0 | 0 | 0 | 0 | 107.9 | V820 T824 | V820-S822 PolarHBondContact O-N 3.23Å; S822-T824 PolarHBondContact O-N 2.98Å; S822-T824 PolarHBondContact O-OG1 3.06Å |
| 823 | V | 27.8 | Very low | 31 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 78% | 0.782 | 75% | 0.749 | S | S | * | * | | | trans | -71.8 | 83.5 | 170.3 | -179.9 | 0 | 0 | 0 | 0 | 106.2 | T821 L825 | T821-V823 PolarHBondContact O-N 3.13Å; V823-L825 HydrophobicContact CG1-CD2 4.49Å; V823-L825 PolarHBondContact O-N 3.28Å |
| 824 | T | 29 | Very low | 30.8 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 63% | 0.632 | 74% | 0.743 | S | S | * | * | | | trans | -61.3 | 106.9 | 166.7 | -31.5 | 0 | 0 | 0 | 0 | 105.6 | S822 Q826 | S822-T824 PolarHBondContact O-N 2.98Å; S822-T824 PolarHBondContact O-OG1 3.06Å; T824-Q826 PolarHBondContact O-N 3.34Å |
| 825 | L | 29.6 | Very low | 31 | Very low | 152 Ų | 152 | 137 Ų | 137 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | | | trans | -65.6 | 87.2 | 166.9 | -72.8 | 176.9 | 0 | 0 | 0 | 107.1 | V823 N827 | V823-L825 HydrophobicContact CG1-CD2 4.49Å; V823-L825 PolarHBondContact O-N 3.28Å; L825-N827 PolarHBondContact O-N 3.18Å |
| 826 | Q | 31.2 | Very low | 31.2 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | | | trans | -59.9 | 109.4 | 166.9 | -66.9 | -174.7 | 5.3 | 0 | 0 | 106.3 | T824 L828 | T824-Q826 PolarHBondContact O-N 3.34Å; Q826-L828 PolarHBondContact O-N 3.08Å |
| 827 | N | 29.5 | Very low | 31.2 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | | | trans | -63.4 | 86.6 | 164.2 | -87.7 | -22.9 | 0 | 0 | 0 | 107.4 | L825 R829 | L825-N827 PolarHBondContact O-N 3.18Å; N827-R829 PolarHBondContact O-N 2.64Å; N827-R829 VanDerWaalsContact O-N 3.14Å |
| 828 | L | 32 | Very low | 31.4 | Very low | 153 Ų | 153 | 143.8 Ų | 143.8 | 80% | 0.801 | 76% | 0.755 | S | S | * | * | | | trans | -51.4 | 121.2 | 164.4 | -76.4 | 167.2 | 0 | 0 | 0 | 106.7 | Q826 P830 | Q826-L828 PolarHBondContact O-N 3.08Å; L828-P830 VanDerWaalsContact O-CD 3.3Å; L828-P830 WeakPolarHBondContact O-CD 3.39Å |
| 829 | R | 27.4 | Very low | 31.2 | Very low | 219 Ų | 219 | 143.5 Ų | 143.5 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | | | trans | -106.3 | 95.7 | -177.4 | -178.3 | -173.5 | -170.6 | 171.3 | 3 | 107.9 | N827 | N827-R829 PolarHBondContact O-N 2.64Å; N827-R829 VanDerWaalsContact O-N 3.14Å |
| 830 | P | 35.4 | Very low | 31.3 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | | | trans | -75.6 | 138.5 | 168.8 | -9.4 | 28.1 | 0 | 0 | 0 | 109 | L828 | L828-P830 VanDerWaalsContact O-CD 3.3Å; L828-P830 WeakPolarHBondContact O-CD 3.39Å |
| 831 | N | 31.3 | Very low | 31.4 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | | | trans | -76.7 | 154 | -170.1 | -67.7 | -63.4 | 0 | 0 | 0 | 114.1 | | |
| 832 | H | 31.8 | Very low | 31.7 | Very low | 181 Ų | 181 | 144 Ų | 144 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | | | trans | 4.8 | 112.2 | 151.9 | -71.8 | -94.9 | 0 | 0 | 0 | 118.9 | | |
| 833 | V | 34.4 | Very low | 31.7 | Very low | 135 Ų | 135 | 146 Ų | 146 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -148.9 | 123.9 | 138.2 | -168.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 834 | N | 30.4 | Very low | 32 | Very low | 113 Ų | 113 | 147.1 Ų | 147.1 | 60% | 0.604 | 77% | 0.768 | S | S | * | * | | | trans | 50 | 115.1 | 163.5 | -91.6 | -61.9 | 0 | 0 | 0 | 122.4 | | |
| 835 | P | 32.5 | Very low | 32.2 | Very low | 130 Ų | 130 | 149.4 Ų | 149.4 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | | | trans | -92.1 | 113.5 | 146.4 | 33.5 | -24.6 | 0 | 0 | 0 | 110.7 | | |
| 836 | R | 36 | Very low | 32.1 | Very low | 220 Ų | 220 | 153.3 Ų | 153.3 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | | | trans | -121.7 | 116 | 168.9 | -79.9 | -172 | 176.5 | 178.4 | -2.8 | 112 | | |
| 837 | R | 34.6 | Very low | 32.2 | Very low | 216 Ų | 216 | 154 Ų | 154 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | | | trans | -78.9 | 164 | 177.4 | -140.4 | -177.6 | -170.8 | 157.6 | 1.6 | 110.9 | | |
| 838 | P | 34.7 | Very low | 32.3 | Very low | 111 Ų | 111 | 153.8 Ų | 153.8 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | | | | -125.2 | 138 | 112.1 | 5.4 | 15.5 | 0 | 0 | 0 | 111.4 | | |
| 839 | H | 30.6 | Very low | 32.1 | Very low | 159 Ų | 159 | 155.9 Ų | 155.9 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | | | | 59.3 | 128.6 | 75.1 | -59 | -69 | 0 | 0 | 0 | 112.3 | | |
| 840 | S | 31.2 | Very low | 32.2 | Very low | 108 Ų | 108 | 152.7 Ų | 152.7 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | cis | -156.9 | 159.4 | 3.5 | 52.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 841 | S | 31.3 | Very low | 31.8 | Very low | 100 Ų | 100 | 152.3 Ų | 152.3 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | trans | -49.7 | 152.6 | 161.6 | 48.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 842 | V | 36.2 | Very low | 31.7 | Very low | 140 Ų | 140 | 152.8 Ų | 152.8 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | | | | -147 | 143.3 | 125.3 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 843 | N | 28 | Very low | 31.6 | Very low | 133 Ų | 133 | 153 Ų | 153 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | trans | -68.5 | 171.5 | 177.8 | -53.3 | -70.3 | 0 | 0 | 0 | 113.8 | | |
| 844 | L | 35.5 | Very low | 31.2 | Very low | 152 Ų | 152 | 153.4 Ų | 153.4 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | | | | -166.4 | 109.4 | 114.6 | -81 | -167 | 0 | 0 | 0 | 111.5 | | |
| 845 | H | 33.5 | Very low | 31.1 | Very low | 151 Ų | 151 | 151.6 Ų | 151.6 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | trans | 50.3 | 104.2 | 139.9 | -55.6 | 91 | 0 | 0 | 0 | 122.8 | | |
| 846 | R | 26.6 | Very low | 30.9 | Very low | 235 Ų | 235 | 152.6 Ų | 152.6 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | | | | 28.5 | 105.2 | 113.1 | -166.7 | -172.8 | -136.7 | -157.4 | 5.7 | 116.9 | | |
| 847 | I | 33.7 | Very low | 30.7 | Very low | 171 Ų | 171 | 150 Ų | 150 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | | | trans | -117.1 | 135.3 | 148.2 | -63 | -178.8 | 0 | 0 | 0 | 107.8 | | |
| 848 | K | 31.3 | Very low | 30.3 | Very low | 152 Ų | 152 | 147.4 Ų | 147.4 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | | | trans | -57.2 | 144.3 | -169 | -84.5 | 175 | 154.5 | -165.8 | 0 | 114.2 | E850 | K848-E850 WeakPolarHBondContact CD-OE1 3.32Å; K848-E850 WeakPolarHBondContact CE-OE1 3.38Å; K848-E850 IonicContact NZ-OE1 2.65Å; K848-E850 PolarHBondContact NZ-OE1 2.9Å |
| 849 | Q | 28.3 | Very low | 30.3 | Very low | 198 Ų | 198 | 147.4 Ų | 147.4 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | | | trans | -68 | 135.1 | 140 | -69.8 | 169.7 | -81.5 | 0 | 0 | 108 | | |
| 850 | E | 28.9 | Very low | 30.3 | Very low | 152 Ų | 152 | 144.9 Ų | 144.9 | 71% | 0.71 | 80% | 0.801 | S | S | * | * | | | trans | -135.2 | 147 | 162 | -141.4 | 146.8 | -118.1 | 0 | 0 | 108.2 | K848 | K848-E850 WeakPolarHBondContact CD-OE1 3.32Å; K848-E850 WeakPolarHBondContact CE-OE1 3.38Å; K848-E850 IonicContact NZ-OE1 2.65Å; K848-E850 PolarHBondContact NZ-OE1 2.9Å |
| 851 | S | 27.2 | Very low | 30.3 | Very low | 112 Ų | 112 | 146.8 Ų | 146.8 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | trans | -95.4 | 169.6 | -151.7 | 47.7 | 0 | 0 | 0 | 0 | 114.8 | Q853 | S851-Q853 PolarHBondContact O-N 3.15Š|
| 852 | V | 28.2 | Very low | 30.5 | Very low | 139 Ų | 139 | 151.3 Ų | 151.3 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | | | trans | -36.5 | 127.2 | 168.3 | -179.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 853 | Q | 30.7 | Very low | 30.3 | Very low | 187 Ų | 187 | 149 Ų | 149 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | -150.9 | 136.4 | 144.4 | -124.8 | 172.9 | 24.4 | 0 | 0 | 112.6 | S851 | S851-Q853 PolarHBondContact O-N 3.15Š|
| 854 | T | 26.9 | Very low | 30.4 | Very low | 143 Ų | 143 | 147.7 Ų | 147.7 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | | | trans | -63.3 | 137.3 | 175.1 | 16.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 855 | G | 28.2 | Very low | 30.3 | Very low | 74 Ų | 74 | 149.5 Ų | 149.5 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | | | trans | -175.9 | 95.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I857 | G855-I857 PolarHBondContact O-N 3.13Š|
| 856 | V | 27.6 | Very low | 30 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 92% | 0.915 | 80% | 0.8 | S | S | * | * | | | trans | -83.7 | 98.9 | -177.8 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 857 | I | 31.1 | Very low | 30.4 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | trans | -143.9 | 115.1 | 160.9 | -54.4 | -177.8 | 0 | 0 | 0 | 111 | G855 | G855-I857 PolarHBondContact O-N 3.13Š|
| 858 | Q | 27.5 | Very low | 30.2 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | | | trans | -94.6 | 172.6 | 157.1 | -87.8 | -171 | 16 | 0 | 0 | 109.2 | | |
| 859 | P | 34.4 | Very low | 30.3 | Very low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | | | cis | -135.2 | 167 | -32.6 | 36.1 | -20.4 | 0 | 0 | 0 | 113 | | |
| 860 | A | 29.8 | Very low | 30.6 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | | | trans | -163.5 | 133.7 | 151.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 861 | I | 31.3 | Very low | 30.7 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | | | trans | -112.7 | 137.5 | -175.8 | -60.3 | 164.1 | 0 | 0 | 0 | 110.4 | | |
| 862 | K | 35.3 | Very low | 31 | Very low | 195 Ų | 195 | 136 Ų | 136 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | | | trans | -175.6 | 98.5 | 136.6 | -99.7 | 153.8 | -171.8 | 178.1 | 0 | 114.6 | | |
| 863 | T | 33.1 | Very low | 31.1 | Very low | 91 Ų | 91 | 135 Ų | 135 | 56% | 0.558 | 79% | 0.793 | S | S | * | * | | | | 14.8 | 141.7 | 129.6 | 54.8 | 0 | 0 | 0 | 0 | 119.1 | | |
| 864 | S | 30.5 | Very low | 31.2 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | cis | -172 | -176.4 | 46.5 | 53.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 865 | Q | 32.5 | Very low | 31.3 | Very low | 191 Ų | 191 | 137 Ų | 137 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | cis | -147.3 | 175.7 | 11.7 | -52.6 | 175.8 | 21.2 | 0 | 0 | 110.6 | | |
| 866 | G | 28 | Very low | 31.5 | Very low | 67 Ų | 67 | 141.2 Ų | 141.2 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | | | trans | 138.4 | 114.9 | 147 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 867 | V | 33.7 | Very low | 31.6 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | | | trans | 76.9 | 140.2 | 165.3 | -165.4 | 0 | 0 | 0 | 0 | 117.1 | | |
| 868 | N | 29.2 | Very low | 31.5 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | -154.6 | 123.4 | -152.7 | -174.8 | 3.3 | 0 | 0 | 0 | 111.8 | | |
| 869 | I | 33.6 | Very low | 31.8 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -142.6 | 141 | 168.9 | -59.8 | -176.3 | 0 | 0 | 0 | 108.5 | | |
| 870 | V | 34.8 | Very low | 31.6 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | | | trans | -103.8 | 134.7 | -150.6 | 177.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 871 | N | 30.8 | Very low | 31.4 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | -91.6 | 145.7 | 164.6 | -76.4 | -35.1 | 0 | 0 | 0 | 111.3 | | |
| 872 | S | 33.6 | Very low | 31.4 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | -107.3 | 126 | 173.7 | 47.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 873 | S | 31 | Very low | 31.3 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | | | trans | -105.4 | 123.3 | -178.1 | -48.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 874 | L | 32.6 | Very low | 31.3 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | | | trans | -96 | 119.1 | 166.5 | -108.6 | 156.6 | 0 | 0 | 0 | 109.2 | | |
| 875 | K | 29.5 | Very low | 31.8 | Very low | 203 Ų | 203 | 139.6 Ų | 139.6 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -71.9 | 128.2 | 175 | -70.5 | 176.5 | 175.2 | 178.3 | 0 | 109.7 | | |
| 876 | I | 31.5 | Very low | 32 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | | | trans | -125.1 | 130.5 | 155.5 | -58.1 | -179.5 | 0 | 0 | 0 | 106.8 | | |
| 877 | A | 30.3 | Very low | 32.6 | Very low | 73 Ų | 73 | 138.1 Ų | 138.1 | 60% | 0.603 | 79% | 0.79 | S | S | * | * | | | trans | -72.6 | 156.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V879 | A877-V879 VanDerWaalsContact C-N 3.33Å; A877-V879 PolarHBondContact O-N 3.3Å |
| 878 | P | 28.8 | Very low | 33.9 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | trans | -74.4 | 85.5 | 175.5 | 31.9 | -34.7 | 0 | 0 | 0 | 110.4 | K880 | P878-K880 PolarHBondContact O-N 3.25Š|
| 879 | V | 34 | Very low | 35.6 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | | | trans | -71.4 | 112.6 | 168.5 | -179.7 | 0 | 0 | 0 | 0 | 108 | A877 G881 | A877-V879 VanDerWaalsContact C-N 3.33Å; A877-V879 PolarHBondContact O-N 3.3Å; V879-G881 PolarHBondContact O-N 3.11Å |
| 880 | K | 29.1 | Very low | 37.3 | Very low | 207 Ų | 207 | 133.4 Ų | 133.4 | 90% | 0.9 | 76% | 0.755 | S | S | * | * | | | trans | -64.3 | 122.3 | 170.8 | -73.4 | 179.9 | 175.3 | 179.4 | 0 | 109.3 | P878 | P878-K880 PolarHBondContact O-N 3.25Š|
| 881 | G | 26.2 | Very low | 39 | Very low | 62 Ų | 62 | 131.5 Ų | 131.5 | 64% | 0.639 | 74% | 0.744 | S | S | * | * | | | trans | 114.1 | 159.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | V879 | V879-G881 PolarHBondContact O-N 3.11Š|
| 882 | V | 32.2 | Very low | 41.2 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | | | trans | 77.9 | 90 | 171.9 | -164 | 0 | 0 | 0 | 0 | 116.8 | | |
| 883 | Q | 32.3 | Very low | 43.4 | Very low | 164 Ų | 164 | 131.9 Ų | 131.9 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | | | trans | 55.5 | 105.1 | 141.9 | -65.5 | 178.7 | -7.7 | 0 | 0 | 119.5 | S885 | Q883-S885 PolarHBondContact O-N 3.33Š|
| 884 | Q | 33.7 | Very low | 45.7 | Very low | 201 Ų | 201 | 129 Ų | 129 | 94% | 0.939 | 70% | 0.701 | S | S | * | * | | | trans | -57.8 | 118.3 | 152.1 | -67.6 | 167.9 | -25.4 | 0 | 0 | 109.5 | | |
| 885 | S | 39.8 | Very low | 47.8 | Very low | 100 Ų | 100 | 126.4 Ų | 126.4 | 70% | 0.699 | 69% | 0.687 | S | S | * | * | | | trans | -130 | 138 | 163.3 | 53.5 | 0 | 0 | 0 | 0 | 108.5 | Q883 G887 | Q883-S885 PolarHBondContact O-N 3.33Å; S885-G887 PolarHBondContact O-N 2.99Å |
| 886 | N | 37.8 | Very low | 50 | Low | 182 Ų | 182 | 122.9 Ų | 122.9 | 97% | 0.973 | 68% | 0.678 | S | S | * | * | | | trans | -78.2 | 52.7 | -171.2 | -65.6 | -33 | 0 | 0 | 0 | 112.3 | | |
| 887 | G | 41 | Very low | 52.2 | Low | 45 Ų | 45 | 119.6 Ų | 119.6 | 46% | 0.464 | 66% | 0.659 | S | S | . | * | | | trans | -91.9 | 129.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S885 E889 | S885-G887 PolarHBondContact O-N 2.99Å; G887-E889 PolarHBondContact O-N 2.91Å |
| 888 | D | 61.3 | Low | 54.9 | Low | 96 Ų | 96 | 119.6 Ų | 119.6 | 51% | 0.513 | 65% | 0.645 | S | S | . | * | | | trans | -45.7 | 127.9 | 172 | 180 | 1.8 | 0 | 0 | 0 | 110.4 | L890 T891 | D888-L890 PolarHBondContact O-N 3.49Å; D888-L890 VanDerWaalsContact O-N 3.09Å; D888-L890 PolarHBondContact OD1-N 3.48Å; D888-T891 WeakPolarHBondContact O-CA 3.43Å; D888-T891 WeakPolarHBondContact O-CB 3.36Å; D888-T891 PolarHBondContact O-N 2.97Å; D888-T891 PolarHBondContact O-OG1 3.04Å |
| 889 | E | 64.2 | Low | 57.2 | Low | 160 Ų | 160 | 121 Ų | 121 | 75% | 0.748 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -55.9 | -30.7 | -177.1 | -65.8 | -170.1 | 163.9 | 0 | 0 | 111.7 | G887 T891 R892 | G887-E889 PolarHBondContact O-N 2.91Å; E889-T891 PolarHBondContact O-N 3.27Å; E889-R892 PolarHBondContact O-N 3.27Å; E889-R892 VanDerWaalsContact O-N 3.15Å |
| 890 | L | 69.4 | Low | 59.2 | Low | 86 Ų | 86 | 118.5 Ų | 118.5 | 45% | 0.45 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -58.4 | -33.7 | 172.8 | -62 | 176.6 | 0 | 0 | 0 | 112 | D888 R892 L893 K898 | D888-L890 PolarHBondContact O-N 3.49Å; D888-L890 VanDerWaalsContact O-N 3.09Å; D888-L890 PolarHBondContact OD1-N 3.48Å; L890-R892 VanDerWaalsContact C-N 3.3Å; L890-R892 PolarHBondContact O-N 3.29Å; L890-L893 PolarHBondContact O-N 2.84Å; L890-K898 WeakPolarHBondContact O-CE 3.23Å; L890-K898 PolarHBondContact O-NZ 3.24Å; L890-K898 VanDerWaalsContact O-NZ 3.09Å |
| 891 | T | 70.7 | Confident | 61.6 | Low | 82 Ų | 82 | 111.8 Ų | 111.8 | 50% | 0.503 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.1 | -31.3 | 179.7 | -49 | 0 | 0 | 0 | 0 | 112.2 | D888 E889 L893 | D888-T891 WeakPolarHBondContact O-CA 3.43Å; D888-T891 WeakPolarHBondContact O-CB 3.36Å; D888-T891 PolarHBondContact O-N 2.97Å; D888-T891 PolarHBondContact O-OG1 3.04Å; E889-T891 PolarHBondContact O-N 3.27Å; T891-L893 VanDerWaalsContact C-N 3.31Å; T891-L893 PolarHBondContact O-N 3.23Å |
| 892 | R | 76.2 | Confident | 63.8 | Low | 219 Ų | 219 | 115.7 Ų | 115.7 | 83% | 0.826 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -75.1 | -19 | 179.2 | -61.9 | -172.1 | 67 | 169 | 2.3 | 113.7 | E889 L890 | E889-R892 PolarHBondContact O-N 3.27Å; E889-R892 VanDerWaalsContact O-N 3.15Å; L890-R892 VanDerWaalsContact C-N 3.3Å; L890-R892 PolarHBondContact O-N 3.29Å |
| 893 | L | 79.4 | Confident | 65.7 | Low | 47 Ų | 47 | 112 Ų | 112 | 25% | 0.246 | 57% | 0.574 | C | S | . | * | S | Bend | trans | -81.7 | 135.4 | -179 | -63.3 | 176.9 | 0 | 0 | 0 | 111.8 | L890 T891 E897 K898 L901 | L890-L893 PolarHBondContact O-N 2.84Å; T891-L893 VanDerWaalsContact C-N 3.31Å; T891-L893 PolarHBondContact O-N 3.23Å; L893-E897 HydrophobicContact CB-CB 4.06Å; L893-E897 HydrophobicContact CD2-CB 4.16Å; L893-K898 HydrophobicContact CB-CG 4.07Å; L893-K898 WeakPolarHBondContact O-CE 3.3Å; L893-K898 PolarHBondContact O-NZ 3.45Å; L893-K898 VanDerWaalsContact O-NZ 3.13Å; L893-L901 HydrophobicContact CD1-CD1 3.42Å; L893-L901 VanDerWaalsContact CD1-CD1 3.42Å |
| 894 | S | 79.9 | Confident | 67.4 | Low | 55 Ų | 55 | 108.8 Ų | 108.8 | 39% | 0.385 | 56% | 0.56 | S | S | . | * | | | trans | -59.8 | 158.7 | 170.2 | 69 | 0 | 0 | 0 | 0 | 111.5 | N896 E897 K898 | S894-N896 PolarHBondContact O-N 3.42Å; S894-N896 VanDerWaalsContact O-N 3.14Å; S894-E897 WeakPolarHBondContact CB-OE2 3.43Å; S894-E897 PolarHBondContact N-OE2 3.19Å; S894-E897 PolarHBondContact O-N 2.86Å; S894-E897 VanDerWaalsContact O-N 3.12Å; S894-E897 VanDerWaalsContact OG-CD 3.31Å; S894-E897 WeakPolarHBondContact OG-CG 3.39Å; S894-E897 PolarHBondContact OG-N 3.31Å; S894-E897 PolarHBondContact OG-OE2 3Å; S894-K898 WeakPolarHBondContact O-CG 3.35Å; S894-K898 PolarHBondContact O-N 3.46Å |
| 895 | L | 77.2 | Confident | 68.7 | Low | 117 Ų | 117 | 107.8 Ų | 107.8 | 61% | 0.613 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.7 | -27.5 | 177.8 | -164.5 | 145.7 | 0 | 0 | 0 | 112.2 | R899 | L895-R899 HydrophobicContact CD2-CG 4.46Å; L895-R899 WeakPolarHBondContact O-CG 3.42Å; L895-R899 PolarHBondContact O-N 2.91Å; L895-R899 VanDerWaalsContact O-N 3.13Å |
| 896 | N | 75.5 | Confident | 69.5 | Low | 128 Ų | 128 | 109.4 Ų | 109.4 | 68% | 0.684 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -75.6 | -40.3 | 176.5 | -153.9 | 33.9 | 0 | 0 | 0 | 112.2 | S894 R899 S900 | S894-N896 PolarHBondContact O-N 3.42Å; S894-N896 VanDerWaalsContact O-N 3.14Å; N896-R899 PolarHBondContact O-N 2.97Å; N896-S900 WeakPolarHBondContact O-CB 3.47Å; N896-S900 PolarHBondContact O-N 2.8Å |
| 897 | E | 77.1 | Confident | 70.4 | Confident | 93 Ų | 93 | 106.3 Ų | 106.3 | 44% | 0.435 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66 | -41.2 | 173.9 | -71.7 | 159.8 | 129.9 | 0 | 0 | 111.7 | L893 S894 R899 S900 L901 | L893-E897 HydrophobicContact CB-CB 4.06Å; L893-E897 HydrophobicContact CD2-CB 4.16Å; S894-E897 WeakPolarHBondContact CB-OE2 3.43Å; S894-E897 PolarHBondContact N-OE2 3.19Å; S894-E897 PolarHBondContact O-N 2.86Å; S894-E897 VanDerWaalsContact O-N 3.12Å; S894-E897 VanDerWaalsContact OG-CD 3.31Å; S894-E897 WeakPolarHBondContact OG-CG 3.39Å; S894-E897 PolarHBondContact OG-N 3.31Å; S894-E897 PolarHBondContact OG-OE2 3Å; E897-R899 VanDerWaalsContact C-N 3.34Å; E897-R899 PolarHBondContact O-N 2.84Å; E897-S900 WeakPolarHBondContact O-CB 3.26Å; E897-S900 PolarHBondContact O-N 3.19Å; E897-S900 VanDerWaalsContact O-N 3.13Å; E897-L901 PolarHBondContact O-N 3.04Å |
| 898 | K | 87.2 | Confident | 71.1 | Confident | 72 Ų | 72 | 110.1 Ų | 110.1 | 31% | 0.313 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -56.2 | -46.8 | 171.9 | -72.8 | 169.2 | 174.8 | 159.7 | 0 | 111.8 | L890 L893 S894 F902 | L890-K898 WeakPolarHBondContact O-CE 3.23Å; L890-K898 PolarHBondContact O-NZ 3.24Å; L890-K898 VanDerWaalsContact O-NZ 3.09Å; L893-K898 HydrophobicContact CB-CG 4.07Å; L893-K898 WeakPolarHBondContact O-CE 3.3Å; L893-K898 PolarHBondContact O-NZ 3.45Å; L893-K898 VanDerWaalsContact O-NZ 3.13Å; S894-K898 WeakPolarHBondContact O-CG 3.35Å; S894-K898 PolarHBondContact O-N 3.46Å; K898-F902 WeakPolarHBondContact O-CB 3.44Å; K898-F902 PolarHBondContact O-N 3.03Å |
| 899 | R | 77.2 | Confident | 70.5 | Confident | 164 Ų | 164 | 107.8 Ų | 107.8 | 62% | 0.619 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.9 | -38.1 | 174.7 | -80.1 | -179.8 | 170.3 | 176.2 | -1.1 | 112.6 | L895 N896 E897 S903 | L895-R899 HydrophobicContact CD2-CG 4.46Å; L895-R899 WeakPolarHBondContact O-CG 3.42Å; L895-R899 PolarHBondContact O-N 2.91Å; L895-R899 VanDerWaalsContact O-N 3.13Å; N896-R899 PolarHBondContact O-N 2.97Å; E897-R899 VanDerWaalsContact C-N 3.34Å; E897-R899 PolarHBondContact O-N 2.84Å; R899-S903 VanDerWaalsContact O-CB 3.32Å; R899-S903 WeakPolarHBondContact O-CB 3.41Å; R899-S903 PolarHBondContact O-N 2.86Å; R899-S903 PolarHBondContact O-OG 3.13Å |
| 900 | S | 76.1 | Confident | 69.8 | Low | 73 Ų | 73 | 106.6 Ų | 106.6 | 51% | 0.51 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -51.7 | 176.4 | -168.1 | 0 | 0 | 0 | 0 | 111.2 | N896 E897 F902 S903 Q904 | N896-S900 WeakPolarHBondContact O-CB 3.47Å; N896-S900 PolarHBondContact O-N 2.8Å; E897-S900 WeakPolarHBondContact O-CB 3.26Å; E897-S900 PolarHBondContact O-N 3.19Å; E897-S900 VanDerWaalsContact O-N 3.13Å; S900-F902 VanDerWaalsContact C-N 3.34Å; S900-F902 PolarHBondContact O-N 2.96Å; S900-S903 PolarHBondContact O-N 2.87Å; S900-Q904 VanDerWaalsContact O-CB 3.32Å; S900-Q904 WeakPolarHBondContact O-CB 3.39Å; S900-Q904 PolarHBondContact O-N 3.46Å |
| 901 | L | 78.9 | Confident | 68.7 | Low | 66 Ų | 66 | 108.8 Ų | 108.8 | 35% | 0.346 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.4 | -41.5 | 177.3 | -71.6 | 177.2 | 0 | 0 | 0 | 112.8 | L893 E897 Q904 R905 | L893-L901 HydrophobicContact CD1-CD1 3.42Å; L893-L901 VanDerWaalsContact CD1-CD1 3.42Å; E897-L901 PolarHBondContact O-N 3.04Å; L901-Q904 PolarHBondContact O-N 3.1Å; L901-R905 WeakPolarHBondContact O-CG 3.49Å; L901-R905 PolarHBondContact O-N 3.42Å |
| 902 | F | 73.8 | Confident | 67.4 | Low | 144 Ų | 144 | 109.9 Ų | 109.9 | 63% | 0.632 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.3 | -45.8 | 176.2 | -172.3 | -94.9 | 0 | 0 | 0 | 111.5 | K898 S900 Q904 R905 F906 | K898-F902 WeakPolarHBondContact O-CB 3.44Å; K898-F902 PolarHBondContact O-N 3.03Å; S900-F902 VanDerWaalsContact C-N 3.34Å; S900-F902 PolarHBondContact O-N 2.96Å; F902-Q904 VanDerWaalsContact C-N 3.32Å; F902-Q904 PolarHBondContact O-N 2.98Å; F902-R905 PolarHBondContact O-N 2.92Å; F902-F906 HydrophobicContact CE1-CD2 4.19Å; F902-F906 HydrophobicContact CZ-CD2 4.26Å; F902-F906 HydrophobicContact CZ-CE2 4.38Å; F902-F906 PolarHBondContact O-N 3.08Å; F902-F906 VanDerWaalsContact O-N 3.14Å |
| 903 | S | 71.9 | Confident | 65.7 | Low | 57 Ų | 57 | 106.3 Ų | 106.3 | 40% | 0.399 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -34.4 | 177.7 | -55.3 | 0 | 0 | 0 | 0 | 112.5 | R899 S900 Q907 | R899-S903 VanDerWaalsContact O-CB 3.32Å; R899-S903 WeakPolarHBondContact O-CB 3.41Å; R899-S903 PolarHBondContact O-N 2.86Å; R899-S903 PolarHBondContact O-OG 3.13Å; S900-S903 PolarHBondContact O-N 2.87Å; S903-Q907 WeakPolarHBondContact O-CG 3.46Å; S903-Q907 PolarHBondContact O-N 2.8Å; S903-Q907 PolarHBondContact O-NE2 3.37Å; S903-Q907 VanDerWaalsContact O-NE2 3.13Å |
| 904 | Q | 67.2 | Low | 63.7 | Low | 97 Ų | 97 | 108.3 Ų | 108.3 | 45% | 0.453 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -71.5 | -45.5 | 178.6 | -165.9 | 174.6 | 28.7 | 0 | 0 | 111.3 | S900 L901 F902 F906 Q907 Q908 | S900-Q904 VanDerWaalsContact O-CB 3.32Å; S900-Q904 WeakPolarHBondContact O-CB 3.39Å; S900-Q904 PolarHBondContact O-N 3.46Å; L901-Q904 PolarHBondContact O-N 3.1Å; F902-Q904 VanDerWaalsContact C-N 3.32Å; F902-Q904 PolarHBondContact O-N 2.98Å; Q904-F906 VanDerWaalsContact C-N 3.31Å; Q904-F906 PolarHBondContact O-N 2.92Å; Q904-Q907 PolarHBondContact O-N 2.73Å; Q904-Q908 VanDerWaalsContact O-CB 3.31Å; Q904-Q908 WeakPolarHBondContact O-CB 3.5Å; Q904-Q908 PolarHBondContact O-N 3.13Å |
| 905 | R | 61.4 | Low | 61.5 | Low | 180 Ų | 180 | 113.2 Ų | 113.2 | 68% | 0.679 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.7 | -39.2 | 174.1 | -70.5 | -169.4 | -155.7 | -167.4 | 7.8 | 112.3 | L901 F902 Q907 Q908 G909 | L901-R905 WeakPolarHBondContact O-CG 3.49Å; L901-R905 PolarHBondContact O-N 3.42Å; F902-R905 PolarHBondContact O-N 2.92Å; R905-Q907 VanDerWaalsContact C-N 3.32Å; R905-Q907 PolarHBondContact O-N 2.8Å; R905-Q908 PolarHBondContact O-N 3.13Å; R905-G909 PolarHBondContact O-N 3.01Å |
| 906 | F | 57.1 | Low | 59.7 | Low | 135 Ų | 135 | 115.6 Ų | 115.6 | 59% | 0.592 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.5 | -36.5 | 178.4 | -130.8 | -87 | 0 | 0 | 0 | 112.3 | F902 Q904 | F902-F906 HydrophobicContact CE1-CD2 4.19Å; F902-F906 HydrophobicContact CZ-CD2 4.26Å; F902-F906 HydrophobicContact CZ-CE2 4.38Å; F902-F906 PolarHBondContact O-N 3.08Å; F902-F906 VanDerWaalsContact O-N 3.14Å; Q904-F906 VanDerWaalsContact C-N 3.31Å; Q904-F906 PolarHBondContact O-N 2.92Å |
| 907 | Q | 55.6 | Low | 57.6 | Low | 117 Ų | 117 | 115.9 Ų | 115.9 | 55% | 0.547 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -76.1 | -41.1 | 174.9 | -72.2 | 174.2 | 75.7 | 0 | 0 | 112.4 | S903 Q904 R905 G909 Q910 Q911 | S903-Q907 WeakPolarHBondContact O-CG 3.46Å; S903-Q907 PolarHBondContact O-N 2.8Å; S903-Q907 PolarHBondContact O-NE2 3.37Å; S903-Q907 VanDerWaalsContact O-NE2 3.13Å; Q904-Q907 PolarHBondContact O-N 2.73Å; R905-Q907 VanDerWaalsContact C-N 3.32Å; R905-Q907 PolarHBondContact O-N 2.8Å; Q907-G909 VanDerWaalsContact C-N 3.31Å; Q907-G909 PolarHBondContact O-N 3.09Å; Q907-Q910 PolarHBondContact O-N 3.09Å; Q907-Q910 VanDerWaalsContact O-N 3.07Å; Q907-Q911 WeakPolarHBondContact O-CG 3.48Å; Q907-Q911 PolarHBondContact O-N 2.89Å |
| 908 | Q | 56.3 | Low | 55.6 | Low | 125 Ų | 125 | 120.1 Ų | 120.1 | 58% | 0.584 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.3 | -34 | 178.9 | -155.4 | 172.5 | 30.5 | 0 | 0 | 111.8 | Q904 R905 Q910 Q911 S912 | Q904-Q908 VanDerWaalsContact O-CB 3.31Å; Q904-Q908 WeakPolarHBondContact O-CB 3.5Å; Q904-Q908 PolarHBondContact O-N 3.13Å; R905-Q908 PolarHBondContact O-N 3.13Å; Q908-Q910 VanDerWaalsContact C-N 3.28Å; Q908-Q910 PolarHBondContact O-N 3.33Å; Q908-Q911 PolarHBondContact O-N 2.77Å; Q908-S912 WeakPolarHBondContact O-CB 3.39Å; Q908-S912 PolarHBondContact O-N 3.28Å |
| 909 | G | 48.3 | Very low | 52.9 | Low | 47 Ų | 47 | 121 Ų | 121 | 49% | 0.485 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.7 | -25 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R905 Q907 | R905-G909 PolarHBondContact O-N 3.01Å; Q907-G909 VanDerWaalsContact C-N 3.31Å; Q907-G909 PolarHBondContact O-N 3.09Å |
| 910 | Q | 49.3 | Very low | 50.9 | Low | 135 Ų | 135 | 120.1 Ų | 120.1 | 63% | 0.631 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -85 | -38.7 | 170.7 | -67.1 | -158.9 | -2.7 | 0 | 0 | 112.2 | Q907 Q908 S912 L913 | Q907-Q910 PolarHBondContact O-N 3.09Å; Q907-Q910 VanDerWaalsContact O-N 3.07Å; Q908-Q910 VanDerWaalsContact C-N 3.28Å; Q908-Q910 PolarHBondContact O-N 3.33Å; Q910-S912 VanDerWaalsContact C-N 3.34Å; Q910-S912 PolarHBondContact O-N 3.41Å; Q910-L913 PolarHBondContact O-N 3.15Å |
| 911 | Q | 46 | Very low | 49.1 | Very low | 132 Ų | 132 | 122.3 Ų | 122.3 | 62% | 0.617 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -73.1 | -23.4 | 179.4 | -66.8 | -178.8 | 15.5 | 0 | 0 | 113.5 | Q907 Q908 L913 T914 | Q907-Q911 WeakPolarHBondContact O-CG 3.48Å; Q907-Q911 PolarHBondContact O-N 2.89Å; Q908-Q911 PolarHBondContact O-N 2.77Å; Q911-L913 PolarHBondContact O-N 3.09Å; Q911-L913 VanDerWaalsContact O-N 3.16Å; Q911-T914 WeakPolarHBondContact CA-OG1 3.31Å; Q911-T914 PolarHBondContact O-N 3.19Å; Q911-T914 PolarHBondContact O-OG1 3.31Å |
| 912 | S | 43.8 | Very low | 47 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -5.9 | 171.1 | -171.8 | 0 | 0 | 0 | 0 | 113.8 | Q908 Q910 | Q908-S912 WeakPolarHBondContact O-CB 3.39Å; Q908-S912 PolarHBondContact O-N 3.28Å; Q910-S912 VanDerWaalsContact C-N 3.34Å; Q910-S912 PolarHBondContact O-N 3.41Å |
| 913 | L | 41 | Very low | 45.1 | Very low | 144 Ų | 144 | 126.1 Ų | 126.1 | 75% | 0.754 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -1 | 174.8 | -75.7 | 163.3 | 0 | 0 | 0 | 113 | Q910 Q911 | Q910-L913 PolarHBondContact O-N 3.15Å; Q911-L913 PolarHBondContact O-N 3.09Å; Q911-L913 VanDerWaalsContact O-N 3.16Å |
| 914 | T | 36.5 | Very low | 43.3 | Very low | 89 Ų | 89 | 128.8 Ų | 128.8 | 55% | 0.546 | 68% | 0.684 | S | S | . | * | | | trans | -108.5 | 72.8 | -172.2 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | Q911 | Q911-T914 WeakPolarHBondContact CA-OG1 3.31Å; Q911-T914 PolarHBondContact O-N 3.19Å; Q911-T914 PolarHBondContact O-OG1 3.31Å |
| 915 | N | 35.2 | Very low | 42 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 85% | 0.85 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -121.8 | 18.9 | 159.8 | -92.4 | -26.6 | 0 | 0 | 0 | 112.5 | | |
| 916 | K | 39.2 | Very low | 40.8 | Very low | 166 Ų | 166 | 135.6 Ų | 135.6 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -138.8 | 133 | 164.9 | -72.9 | -172.7 | 175.8 | -179.4 | 0 | 109.4 | F918 | K916-F918 PolarHBondContact O-N 2.83Š|
| 917 | P | 31 | Very low | 40 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 88% | 0.877 | 72% | 0.724 | S | S | * | * | | | trans | -72.3 | 112.9 | 176.6 | 29.4 | -32.7 | 0 | 0 | 0 | 109.4 | S919 | P917-S919 PolarHBondContact O-N 3.29Š|
| 918 | F | 34.9 | Very low | 39.1 | Very low | 181 Ų | 181 | 137 Ų | 137 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | | | trans | -81.4 | 117.1 | 171.7 | -89.7 | -84 | 0 | 0 | 0 | 110.1 | K916 | K916-F918 PolarHBondContact O-N 2.83Š|
| 919 | S | 31.2 | Very low | 38.2 | Very low | 90 Ų | 90 | 142.2 Ų | 142.2 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | | | trans | -55.2 | 133.4 | 176 | -178.6 | 0 | 0 | 0 | 0 | 112 | P917 T921 | P917-S919 PolarHBondContact O-N 3.29Å; S919-T921 VanDerWaalsContact C-N 3.27Å; S919-T921 PolarHBondContact O-N 3.12Å; S919-T921 PolarHBondContact OG-OG1 3.24Å; S919-T921 VanDerWaalsContact OG-OG1 3.12Å |
| 920 | V | 35.5 | Very low | 37.9 | Very low | 146 Ų | 146 | 151 Ų | 151 | 89% | 0.885 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 65.6 | -177 | -171.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 921 | T | 37.1 | Very low | 37.7 | Very low | 119 Ų | 119 | 154.4 Ų | 154.4 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.2 | 2.2 | -178.7 | 43.5 | 0 | 0 | 0 | 0 | 115.8 | S919 | S919-T921 VanDerWaalsContact C-N 3.27Å; S919-T921 PolarHBondContact O-N 3.12Å; S919-T921 PolarHBondContact OG-OG1 3.24Å; S919-T921 VanDerWaalsContact OG-OG1 3.12Å |
| 922 | T | 34.2 | Very low | 38.3 | Very low | 125 Ų | 125 | 154.3 Ų | 154.3 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -127 | 127.6 | -172.3 | -23.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 923 | E | 35.5 | Very low | 38.9 | Very low | 165 Ų | 165 | 157.2 Ų | 157.2 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | | | trans | -18.1 | 139.4 | 172.6 | -79.3 | -72.1 | 123.1 | 0 | 0 | 116.9 | K925 | E923-K925 PolarHBondContact O-N 3.05Š|
| 924 | P | 34.1 | Very low | 39.6 | Very low | 113 Ų | 113 | 154.9 Ų | 154.9 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -62 | 97.1 | 179.5 | 27.6 | -34.7 | 0 | 0 | 0 | 110.4 | R926 | P924-R926 PolarHBondContact O-N 3.04Š|
| 925 | K | 39.1 | Very low | 41.3 | Very low | 192 Ų | 192 | 156.8 Ų | 156.8 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | | | trans | -57.1 | 106.2 | -177.8 | -140.1 | 171 | -169.4 | 171.1 | 0 | 108.2 | E923 V927 | E923-K925 PolarHBondContact O-N 3.05Å; K925-V927 PolarHBondContact O-N 3.21Å |
| 926 | R | 36.1 | Very low | 43.1 | Very low | 229 Ų | 229 | 152.3 Ų | 152.3 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | | | trans | -41.9 | 127.9 | 178.4 | -72.7 | 177.5 | 173.9 | 138.4 | -0.4 | 108.6 | P924 I928 | P924-R926 PolarHBondContact O-N 3.04Å; R926-I928 PolarHBondContact O-N 3.13Å |
| 927 | V | 40.2 | Very low | 44.8 | Very low | 140 Ų | 140 | 151.4 Ų | 151.4 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | | | trans | -66.2 | 87.4 | 167.4 | 179.5 | 0 | 0 | 0 | 0 | 106.3 | K925 R929 | K925-V927 PolarHBondContact O-N 3.21Å; V927-R929 VanDerWaalsContact C-N 3.34Å; V927-R929 PolarHBondContact O-N 2.9Å |
| 928 | I | 35.9 | Very low | 47 | Very low | 142 Ų | 142 | 150 Ų | 150 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | | | trans | -58.6 | 106.2 | 166.4 | -63.5 | 171.6 | 0 | 0 | 0 | 103.8 | R926 R930 | R926-I928 PolarHBondContact O-N 3.13Å; I928-R930 VanDerWaalsContact C-N 3.29Å; I928-R930 PolarHBondContact O-N 2.71Å |
| 929 | R | 38.7 | Very low | 49 | Very low | 234 Ų | 234 | 145 Ų | 145 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | | | trans | -49.2 | 103.9 | 163.6 | -82.6 | 178.6 | 160.1 | -179.7 | -7.4 | 105.3 | V927 K931 | V927-R929 VanDerWaalsContact C-N 3.34Å; V927-R929 PolarHBondContact O-N 2.9Å; R929-K931 PolarHBondContact O-N 2.87Å; R929-K931 VanDerWaalsContact O-N 3.09Å |
| 930 | R | 42 | Very low | 51.4 | Low | 230 Ų | 230 | 145.2 Ų | 145.2 | 87% | 0.868 | 73% | 0.728 | S | S | * | * | | | trans | -53.8 | 123.6 | 169.8 | -75.6 | -179.4 | 170.5 | 173.4 | -3.9 | 104.4 | I928 T932 | I928-R930 VanDerWaalsContact C-N 3.29Å; I928-R930 PolarHBondContact O-N 2.71Å; R930-T932 PolarHBondContact O-N 3.18Å |
| 931 | K | 44.2 | Very low | 53.4 | Low | 208 Ų | 208 | 140.9 Ų | 140.9 | 90% | 0.904 | 71% | 0.708 | S | S | * | * | | | trans | -52.3 | 112.4 | 166.4 | -74.1 | -173.3 | 174.9 | -173.9 | 0 | 105.1 | R929 Q933 | R929-K931 PolarHBondContact O-N 2.87Å; R929-K931 VanDerWaalsContact O-N 3.09Å; K931-Q933 PolarHBondContact O-N 2.97Å |
| 932 | T | 58.1 | Low | 55.3 | Low | 129 Ų | 129 | 141 Ų | 141 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 134.3 | 162.6 | 40 | 0 | 0 | 0 | 0 | 105.7 | R930 | R930-T932 PolarHBondContact O-N 3.18Š|
| 933 | Q | 56.4 | Low | 57.5 | Low | 166 Ų | 166 | 137.2 Ų | 137.2 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 138.5 | 169.8 | -72.4 | -76.9 | 9.5 | 0 | 0 | 107.6 | K931 I935 | K931-Q933 PolarHBondContact O-N 2.97Å; Q933-I935 PolarHBondContact O-N 3.14Å |
| 934 | P | 56.1 | Low | 59.4 | Low | 94 Ų | 94 | 133.5 Ų | 133.5 | 61% | 0.61 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -55 | 128.1 | 169.8 | 25.8 | -32.6 | 0 | 0 | 0 | 107.3 | T936 | P934-T936 PolarHBondContact O-N 3.44Å; P934-T936 VanDerWaalsContact O-N 3.08Å |
| 935 | I | 71.8 | Confident | 61.4 | Low | 130 Ų | 130 | 130.7 Ų | 130.7 | 67% | 0.667 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 118.2 | 177.4 | -61.4 | 174.4 | 0 | 0 | 0 | 106.4 | Q933 D939 L940 | Q933-I935 PolarHBondContact O-N 3.14Å; I935-D939 HydrophobicContact CG2-CB 3.85Å; I935-L940 HydrophobicContact CG2-CD1 3.78Å |
| 936 | T | 73.9 | Confident | 63.3 | Low | 64 Ų | 64 | 126.9 Ų | 126.9 | 39% | 0.393 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -79.8 | 162.2 | -177.5 | 64.2 | 0 | 0 | 0 | 0 | 110.5 | P934 D938 D939 L940 | P934-T936 PolarHBondContact O-N 3.44Å; P934-T936 VanDerWaalsContact O-N 3.08Å; T936-D938 PolarHBondContact O-N 3.48Å; T936-D939 WeakPolarHBondContact CB-OD2 3.45Å; T936-D939 PolarHBondContact N-OD2 2.96Å; T936-D939 PolarHBondContact O-N 3.22Å; T936-D939 VanDerWaalsContact O-N 3.13Å; T936-D939 PolarHBondContact OG1-N 3.14Å; T936-D939 VanDerWaalsContact OG1-N 3.15Å; T936-D939 PolarHBondContact OG1-OD2 3.43Å; T936-L940 PolarHBondContact O-N 3.12Å; T936-L940 VanDerWaalsContact O-N 3.11Å |
| 937 | L | 75.1 | Confident | 65.3 | Low | 147 Ų | 147 | 120 Ų | 120 | 77% | 0.77 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -57 | -34.8 | 170.3 | -87.5 | 159.1 | 0 | 0 | 0 | 111.4 | L940 A941 | L937-L940 PolarHBondContact O-N 3.34Å; L937-A941 WeakPolarHBondContact O-CB 3.45Å; L937-A941 PolarHBondContact O-N 2.78Å |
| 938 | D | 77.1 | Confident | 66.9 | Low | 107 Ų | 107 | 116.7 Ų | 116.7 | 57% | 0.572 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66 | -37.5 | 175.9 | -61.1 | -18.3 | 0 | 0 | 0 | 112.6 | T936 K942 | T936-D938 PolarHBondContact O-N 3.48Å; D938-K942 WeakPolarHBondContact O-CB 3.15Å; D938-K942 WeakPolarHBondContact O-CD 3.21Å; D938-K942 VanDerWaalsContact O-CG 3.26Å; D938-K942 WeakPolarHBondContact O-CG 2.71Å; D938-K942 PolarHBondContact O-N 2.61Å |
| 939 | D | 77.3 | Confident | 68.7 | Low | 76 Ų | 76 | 112.4 Ų | 112.4 | 41% | 0.406 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.2 | -40.3 | 174.9 | -61.8 | -50.5 | 0 | 0 | 0 | 110.8 | I935 T936 A943 | I935-D939 HydrophobicContact CG2-CB 3.85Å; T936-D939 WeakPolarHBondContact CB-OD2 3.45Å; T936-D939 PolarHBondContact N-OD2 2.96Å; T936-D939 PolarHBondContact O-N 3.22Å; T936-D939 VanDerWaalsContact O-N 3.13Å; T936-D939 PolarHBondContact OG1-N 3.14Å; T936-D939 VanDerWaalsContact OG1-N 3.15Å; T936-D939 PolarHBondContact OG1-OD2 3.43Å; D939-A943 WeakPolarHBondContact O-CB 3.19Å; D939-A943 PolarHBondContact O-N 3.48Å |
| 940 | L | 80.1 | Confident | 70.5 | Confident | 93 Ų | 93 | 110.2 Ų | 110.2 | 49% | 0.487 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.9 | -43.2 | 175.8 | -131.4 | 83.8 | 0 | 0 | 0 | 111.7 | I935 T936 L937 A943 N944 | I935-L940 HydrophobicContact CG2-CD1 3.78Å; T936-L940 PolarHBondContact O-N 3.12Å; T936-L940 VanDerWaalsContact O-N 3.11Å; L937-L940 PolarHBondContact O-N 3.34Å; L940-A943 PolarHBondContact O-N 2.8Å; L940-N944 WeakPolarHBondContact O-CB 3.32Å; L940-N944 VanDerWaalsContact O-CG 3.28Å; L940-N944 PolarHBondContact O-N 2.89Å; L940-N944 PolarHBondContact O-ND2 3.07Å |
| 941 | A | 78 | Confident | 71.7 | Confident | 55 Ų | 55 | 108.3 Ų | 108.3 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.8 | -46.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L937 A943 N944 Q945 | L937-A941 WeakPolarHBondContact O-CB 3.45Å; L937-A941 PolarHBondContact O-N 2.78Å; A941-A943 PolarHBondContact O-N 2.77Å; A941-N944 PolarHBondContact O-N 3.13Å; A941-Q945 WeakPolarHBondContact O-CB 3.46Å; A941-Q945 PolarHBondContact O-N 3.07Å |
| 942 | K | 78.3 | Confident | 72.6 | Confident | 122 Ų | 122 | 106.3 Ų | 106.3 | 53% | 0.53 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 174.9 | -74.2 | 166.9 | -175.1 | 161.8 | 0 | 112.6 | D938 Q945 L946 | D938-K942 WeakPolarHBondContact O-CB 3.15Å; D938-K942 WeakPolarHBondContact O-CD 3.21Å; D938-K942 VanDerWaalsContact O-CG 3.26Å; D938-K942 WeakPolarHBondContact O-CG 2.71Å; D938-K942 PolarHBondContact O-N 2.61Å; K942-Q945 PolarHBondContact O-N 2.81Å; K942-L946 WeakPolarHBondContact O-CB 3.49Å; K942-L946 WeakPolarHBondContact O-CG 3.35Å; K942-L946 PolarHBondContact O-N 3.22Å |
| 943 | A | 79.4 | Confident | 72.3 | Confident | 46 Ų | 46 | 103.6 Ų | 103.6 | 38% | 0.38 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D939 L940 A941 L946 I947 | D939-A943 WeakPolarHBondContact O-CB 3.19Å; D939-A943 PolarHBondContact O-N 3.48Å; L940-A943 PolarHBondContact O-N 2.8Å; A941-A943 PolarHBondContact O-N 2.77Å; A943-L946 PolarHBondContact O-N 3.36Å; A943-I947 WeakPolarHBondContact O-CD1 3.31Å; A943-I947 VanDerWaalsContact O-CG1 3.23Å; A943-I947 WeakPolarHBondContact O-CG1 3.32Å; A943-I947 PolarHBondContact O-N 2.84Å |
| 944 | N | 76.4 | Confident | 72.2 | Confident | 86 Ų | 86 | 103 Ų | 103 | 46% | 0.46 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 176.7 | -72 | -16.5 | 0 | 0 | 0 | 112.1 | L940 A941 I947 L948 | L940-N944 WeakPolarHBondContact O-CB 3.32Å; L940-N944 VanDerWaalsContact O-CG 3.28Å; L940-N944 PolarHBondContact O-N 2.89Å; L940-N944 PolarHBondContact O-ND2 3.07Å; A941-N944 PolarHBondContact O-N 3.13Å; N944-I947 PolarHBondContact O-N 3.45Å; N944-L948 VanDerWaalsContact O-CG 3.3Å; N944-L948 WeakPolarHBondContact O-CG 3.4Å; N944-L948 PolarHBondContact O-N 3.41Å |
| 945 | Q | 75.9 | Confident | 72 | Confident | 55 Ų | 55 | 104.9 Ų | 104.9 | 26% | 0.257 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 176.1 | -166 | 166.2 | 19.5 | 0 | 0 | 111.3 | A941 K942 I947 L948 E949 L956 | A941-Q945 WeakPolarHBondContact O-CB 3.46Å; A941-Q945 PolarHBondContact O-N 3.07Å; K942-Q945 PolarHBondContact O-N 2.81Å; Q945-I947 VanDerWaalsContact C-N 3.26Å; Q945-I947 PolarHBondContact O-N 3.23Å; Q945-L948 PolarHBondContact O-N 3.39Å; Q945-L948 VanDerWaalsContact O-N 3.13Å; Q945-E949 WeakPolarHBondContact O-CB 3.48Å; Q945-E949 VanDerWaalsContact O-CG 3.31Å; Q945-E949 WeakPolarHBondContact O-CG 3.43Å; Q945-E949 PolarHBondContact O-N 3Å; Q945-L956 PolarHBondContact NE2-O 3.41Å |
| 946 | L | 77.8 | Confident | 71.2 | Confident | 111 Ų | 111 | 102.7 Ų | 102.7 | 58% | 0.581 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.5 | -33.5 | 174.8 | -76.3 | 167.7 | 0 | 0 | 0 | 113.4 | K942 A943 K950 | K942-L946 WeakPolarHBondContact O-CB 3.49Å; K942-L946 WeakPolarHBondContact O-CG 3.35Å; K942-L946 PolarHBondContact O-N 3.22Å; A943-L946 PolarHBondContact O-N 3.36Å; L946-K950 PolarHBondContact O-N 3.41Å |
| 947 | I | 78.5 | Confident | 70.2 | Confident | 86 Ų | 86 | 107.3 Ų | 107.3 | 44% | 0.441 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.4 | -47.7 | 174.7 | -72.1 | 165.2 | 0 | 0 | 0 | 110.3 | A943 N944 Q945 K950 Y951 | A943-I947 WeakPolarHBondContact O-CD1 3.31Å; A943-I947 VanDerWaalsContact O-CG1 3.23Å; A943-I947 WeakPolarHBondContact O-CG1 3.32Å; A943-I947 PolarHBondContact O-N 2.84Å; N944-I947 PolarHBondContact O-N 3.45Å; Q945-I947 VanDerWaalsContact C-N 3.26Å; Q945-I947 PolarHBondContact O-N 3.23Å; I947-K950 WeakPolarHBondContact O-CB 3.5Å; I947-K950 PolarHBondContact O-N 2.95Å; I947-Y951 HydrophobicContact CG2-CD2 3.72Å; I947-Y951 HydrophobicContact CG2-CE2 3.78Å; I947-Y951 VanDerWaalsContact O-CD2 3.25Å; I947-Y951 WeakPolarHBondContact O-CD2 3.49Å; I947-Y951 PolarHBondContact O-N 2.93Å |
| 948 | L | 74 | Confident | 68.8 | Low | 70 Ų | 70 | 102.4 Ų | 102.4 | 37% | 0.366 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 179.7 | -69 | 167.6 | 0 | 0 | 0 | 112.1 | N944 Q945 K950 Y951 Y952 L956 | N944-L948 VanDerWaalsContact O-CG 3.3Å; N944-L948 WeakPolarHBondContact O-CG 3.4Å; N944-L948 PolarHBondContact O-N 3.41Å; Q945-L948 PolarHBondContact O-N 3.39Å; Q945-L948 VanDerWaalsContact O-N 3.13Å; L948-K950 VanDerWaalsContact C-N 3.32Å; L948-K950 PolarHBondContact O-N 3.42Å; L948-Y951 PolarHBondContact O-N 3.35Å; L948-Y952 HydrophobicContact CB-CD2 4.49Å; L948-Y952 HydrophobicContact CD2-CD2 4.09Å; L948-Y952 HydrophobicContact CD2-CE2 3.8Å; L948-Y952 WeakPolarHBondContact O-CB 3.49Å; L948-Y952 WeakPolarHBondContact O-CD2 3.4Å; L948-Y952 PolarHBondContact O-N 2.9Å; L948-L956 HydrophobicContact CB-CD1 3.62Å; L948-L956 HydrophobicContact CD1-CD1 3.74Å; L948-L956 HydrophobicContact CG-CD1 4.22Å |
| 949 | E | 73.8 | Confident | 67.6 | Low | 52 Ų | 52 | 103 Ų | 103 | 24% | 0.243 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 172.4 | -73.8 | -179.1 | 169.6 | 0 | 0 | 111.9 | Q945 G953 H955 | Q945-E949 WeakPolarHBondContact O-CB 3.48Å; Q945-E949 VanDerWaalsContact O-CG 3.31Å; Q945-E949 WeakPolarHBondContact O-CG 3.43Å; Q945-E949 PolarHBondContact O-N 3Å; E949-G953 WeakPolarHBondContact O-CA 3.37Å; E949-G953 PolarHBondContact O-N 3.34Å; E949-H955 IonicContact OE1-CD2 3.12Å; E949-H955 PolarHBondContact OE1-CD2 3.43Å; E949-H955 IonicContact OE1-CG 3.84Å; E949-H955 IonicContact OE1-NE2 3.94Å |
| 950 | K | 75.8 | Confident | 65.8 | Low | 188 Ų | 188 | 108.1 Ų | 108.1 | 82% | 0.817 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.2 | -37.9 | 174.2 | -94.4 | -168.2 | 172.9 | -170.6 | 0 | 113.5 | L946 I947 L948 | L946-K950 PolarHBondContact O-N 3.41Å; I947-K950 WeakPolarHBondContact O-CB 3.5Å; I947-K950 PolarHBondContact O-N 2.95Å; L948-K950 VanDerWaalsContact C-N 3.32Å; L948-K950 PolarHBondContact O-N 3.42Å |
| 951 | Y | 68.3 | Low | 63.6 | Low | 189 Ų | 189 | 105.9 Ų | 105.9 | 74% | 0.741 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -82.5 | -36.4 | -176.7 | -84.2 | -68.1 | 0 | 0 | 0 | 113.7 | I947 L948 | I947-Y951 HydrophobicContact CG2-CD2 3.72Å; I947-Y951 HydrophobicContact CG2-CE2 3.78Å; I947-Y951 VanDerWaalsContact O-CD2 3.25Å; I947-Y951 WeakPolarHBondContact O-CD2 3.49Å; I947-Y951 PolarHBondContact O-N 2.93Å; L948-Y951 PolarHBondContact O-N 3.35Å |
| 952 | Y | 63.2 | Low | 61.7 | Low | 167 Ų | 167 | 108 Ų | 108 | 66% | 0.655 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -101.6 | -8.1 | -175.2 | -69.4 | -76.3 | 0 | 0 | 0 | 114 | L948 K954 | L948-Y952 HydrophobicContact CB-CD2 4.49Å; L948-Y952 HydrophobicContact CD2-CD2 4.09Å; L948-Y952 HydrophobicContact CD2-CE2 3.8Å; L948-Y952 WeakPolarHBondContact O-CB 3.49Å; L948-Y952 WeakPolarHBondContact O-CD2 3.4Å; L948-Y952 PolarHBondContact O-N 2.9Å; Y952-K954 PolarHBondContact O-N 3.46Å |
| 953 | G | 50.4 | Low | 59.7 | Low | 72 Ų | 72 | 109.3 Ų | 109.3 | 74% | 0.742 | 58% | 0.578 | S | S | * | * | S | Bend | trans | 62.6 | 11.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E949 | E949-G953 WeakPolarHBondContact O-CA 3.37Å; E949-G953 PolarHBondContact O-N 3.34Å |
| 954 | K | 54.1 | Low | 57.8 | Low | 154 Ų | 154 | 115.8 Ų | 115.8 | 67% | 0.67 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -122.4 | 126.4 | 179.6 | -67.6 | -174.9 | -179.7 | -173.4 | 0 | 107.6 | Y952 L956 | Y952-K954 PolarHBondContact O-N 3.46Å; K954-L956 PolarHBondContact O-N 3.21Å |
| 955 | H | 53.6 | Low | 55.7 | Low | 133 Ų | 133 | 115 Ų | 115 | 62% | 0.616 | 61% | 0.609 | S | S | * | * | | | trans | -54.1 | 107.1 | 162.6 | -177.2 | -106 | 0 | 0 | 0 | 107 | E949 E957 | E949-H955 IonicContact OE1-CD2 3.12Å; E949-H955 PolarHBondContact OE1-CD2 3.43Å; E949-H955 IonicContact OE1-CG 3.84Å; E949-H955 IonicContact OE1-NE2 3.94Å; H955-E957 PolarHBondContact O-N 3.16Å |
| 956 | L | 54.1 | Low | 53.9 | Low | 83 Ų | 83 | 120.4 Ų | 120.4 | 44% | 0.435 | 64% | 0.64 | S | S | . | * | | | trans | -73 | 91.4 | 170.9 | -82.4 | 174.8 | 0 | 0 | 0 | 105.7 | Q945 L948 K954 S958 | Q945-L956 PolarHBondContact NE2-O 3.41Å; L948-L956 HydrophobicContact CB-CD1 3.62Å; L948-L956 HydrophobicContact CD1-CD1 3.74Å; L948-L956 HydrophobicContact CG-CD1 4.22Å; K954-L956 PolarHBondContact O-N 3.21Å; L956-S958 PolarHBondContact O-N 3.2Å; L956-S958 VanDerWaalsContact O-N 3.08Å |
| 957 | E | 52.2 | Low | 52.2 | Low | 162 Ų | 162 | 123 Ų | 123 | 76% | 0.757 | 65% | 0.649 | S | S | * | * | | | trans | -50.9 | 116 | 177.7 | -163.9 | 151.6 | -143.7 | 0 | 0 | 108.5 | H955 | H955-E957 PolarHBondContact O-N 3.16Š|
| 958 | S | 46.4 | Very low | 50.2 | Low | 44 Ų | 44 | 126.8 Ų | 126.8 | 31% | 0.308 | 67% | 0.665 | S | S | . | * | | | trans | -56.3 | 133.6 | -174.9 | 176.3 | 0 | 0 | 0 | 0 | 109 | L956 F960 G961 | L956-S958 PolarHBondContact O-N 3.2Å; L956-S958 VanDerWaalsContact O-N 3.08Å; S958-F960 PolarHBondContact O-N 3.24Å; S958-F960 PolarHBondContact OG-N 2.91Å; S958-G961 PolarHBondContact O-N 2.89Å |
| 959 | P | 51.2 | Low | 48.5 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 77% | 0.773 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -6.5 | 172.4 | 26.8 | -33.9 | 0 | 0 | 0 | 112.7 | | |
| 960 | F | 40.2 | Very low | 46.8 | Very low | 183 Ų | 183 | 133.5 Ų | 133.5 | 80% | 0.803 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | 40.5 | 169.3 | -56.5 | -74.7 | 0 | 0 | 0 | 111.5 | S958 S962 | S958-F960 PolarHBondContact O-N 3.24Å; S958-F960 PolarHBondContact OG-N 2.91Å; F960-S962 PolarHBondContact O-N 3.12Å |
| 961 | G | 33.9 | Very low | 45 | Very low | 46 Ų | 46 | 134.2 Ų | 134.2 | 47% | 0.474 | 71% | 0.714 | S | S | . | * | | | trans | -53.1 | 119.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S958 V963 | S958-G961 PolarHBondContact O-N 2.89Å; G961-V963 PolarHBondContact O-N 3.49Å |
| 962 | S | 37.3 | Very low | 43.3 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | | | trans | -60.6 | 111.6 | -170.9 | -171.5 | 0 | 0 | 0 | 0 | 111.2 | F960 K964 | F960-S962 PolarHBondContact O-N 3.12Å; S962-K964 PolarHBondContact O-N 3.24Å |
| 963 | V | 36.2 | Very low | 42.1 | Very low | 149 Ų | 149 | 129.9 Ų | 129.9 | 90% | 0.903 | 72% | 0.721 | S | S | * | * | | | trans | -67.1 | 84.8 | 167.7 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | G961 | G961-V963 PolarHBondContact O-N 3.49Š|
| 964 | K | 39.6 | Very low | 41.6 | Very low | 182 Ų | 182 | 134.1 Ų | 134.1 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | | | trans | -115.3 | 109.8 | 157.9 | -80.7 | -164.1 | 169.5 | -167.9 | 0 | 106.7 | S962 | S962-K964 PolarHBondContact O-N 3.24Š|
| 965 | G | 32.2 | Very low | 40.5 | Very low | 69 Ų | 69 | 135.4 Ų | 135.4 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | | | trans | -64.3 | 136.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 966 | D | 39.2 | Very low | 39.8 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 90% | 0.904 | 74% | 0.735 | S | S | * | * | | | trans | -128.7 | 149.2 | 139.6 | -86.9 | -45.1 | 0 | 0 | 0 | 105.9 | | |
| 967 | E | 41.7 | Very low | 38.7 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | | | trans | -89.1 | 164.5 | -158 | -50.9 | 175.9 | 147.1 | 0 | 0 | 113.3 | | |
| 968 | Q | 36.3 | Very low | 38 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | | | trans | 62.8 | 102 | 158.5 | -63.4 | 171.3 | 58.8 | 0 | 0 | 117.2 | | |
| 969 | D | 38.7 | Very low | 37.3 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | | | | -151.8 | 141.9 | 107 | -115.5 | -28.1 | 0 | 0 | 0 | 112.9 | | |
| 970 | S | 37.6 | Very low | 36.7 | Very low | 100 Ų | 100 | 146.1 Ų | 146.1 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | trans | -94 | 117 | -168.9 | -179.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 971 | F | 39.2 | Very low | 36.4 | Very low | 203 Ų | 203 | 142.3 Ų | 142.3 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | | | trans | -137.2 | 87.2 | 154.1 | -78.6 | -74.6 | 0 | 0 | 0 | 109.4 | | |
| 972 | G | 32.2 | Very low | 36.6 | Very low | 63 Ų | 63 | 145.3 Ų | 145.3 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | | | trans | -70 | 137.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 973 | F | 37.6 | Very low | 36.7 | Very low | 202 Ų | 202 | 146.7 Ų | 146.7 | 89% | 0.886 | 79% | 0.785 | S | S | * | * | | | trans | -129.9 | 143.8 | 149.4 | -84.7 | -80.4 | 0 | 0 | 0 | 108.5 | | |
| 974 | H | 40 | Very low | 36.7 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | | | trans | -62.3 | 136.5 | -154.2 | -76.9 | -85.9 | 0 | 0 | 0 | 115.5 | Y976 | H974-Y976 HydrophobicContact CB-CD2 3.93Å; H974-Y976 HydrophobicContact CB-CE2 3.94Å; H974-Y976 PolarHBondContact O-N 2.95Å |
| 975 | E | 31.6 | Very low | 36.6 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | trans | -55.6 | 101.2 | 151.3 | -174.7 | 166.7 | -137.5 | 0 | 0 | 108.6 | | |
| 976 | Y | 37.8 | Very low | 36.6 | Very low | 191 Ų | 191 | 146.1 Ų | 146.1 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | | | trans | -99.5 | 105.9 | 166.3 | -92.9 | -79.9 | 0 | 0 | 0 | 108.3 | H974 S978 | H974-Y976 HydrophobicContact CB-CD2 3.93Å; H974-Y976 HydrophobicContact CB-CE2 3.94Å; H974-Y976 PolarHBondContact O-N 2.95Å; Y976-S978 PolarHBondContact O-N 3.45Å |
| 977 | D | 32.3 | Very low | 36.5 | Very low | 150 Ų | 150 | 146.7 Ų | 146.7 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | | | trans | -54.5 | 90 | 158.8 | -78.5 | -50.1 | 0 | 0 | 0 | 109.6 | | |
| 978 | S | 36.7 | Very low | 36.2 | Very low | 87 Ų | 87 | 150.2 Ų | 150.2 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | | | trans | -112.7 | 96.4 | 176 | -78.4 | 0 | 0 | 0 | 0 | 109.9 | Y976 I980 | Y976-S978 PolarHBondContact O-N 3.45Å; S978-I980 PolarHBondContact O-N 2.65Å |
| 979 | Q | 32.1 | Very low | 36.1 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -59.8 | 95.7 | 179.5 | -58 | 173.9 | 9.9 | 0 | 0 | 111.5 | | |
| 980 | I | 37.7 | Very low | 36 | Very low | 155 Ų | 155 | 151.2 Ų | 151.2 | 80% | 0.795 | 80% | 0.795 | S | S | * | * | | | trans | -129.7 | 68.4 | 167.9 | -56.8 | 177.3 | 0 | 0 | 0 | 106 | S978 | S978-I980 PolarHBondContact O-N 2.65Š|
| 981 | S | 35.4 | Very low | 36 | Very low | 102 Ų | 102 | 157.3 Ų | 157.3 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | | | | 62.6 | 80.2 | 78.6 | -159.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 982 | T | 38.3 | Very low | 35.9 | Very low | 110 Ų | 110 | 155.6 Ų | 155.6 | 68% | 0.675 | 80% | 0.804 | S | S | * | * | | | trans | -67.4 | 122.2 | 167.4 | 40.1 | 0 | 0 | 0 | 0 | 111 | E984 | T982-E984 VanDerWaalsContact C-N 3.32Å; T982-E984 PolarHBondContact O-N 3.34Å |
| 983 | P | 38.5 | Very low | 36.1 | Very low | 129 Ų | 129 | 161.2 Ų | 161.2 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | 20.7 | -177.9 | 36.2 | -36.5 | 0 | 0 | 0 | 114.8 | | |
| 984 | E | 36 | Very low | 36.3 | Very low | 195 Ų | 195 | 158.9 Ų | 158.9 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | 3.7 | -177.4 | -70.1 | -163.1 | 136.3 | 0 | 0 | 115.8 | T982 | T982-E984 VanDerWaalsContact C-N 3.32Å; T982-E984 PolarHBondContact O-N 3.34Å |
| 985 | A | 37.3 | Very low | 36 | Very low | 89 Ų | 89 | 156.1 Ų | 156.1 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -108.9 | 1.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 986 | S | 33.4 | Very low | 36.1 | Very low | 105 Ų | 105 | 152.6 Ų | 152.6 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | trans | -126.8 | 60 | -169 | -160.1 | 0 | 0 | 0 | 0 | 114 | | |
| 987 | L | 35.5 | Very low | 36.2 | Very low | 180 Ų | 180 | 150.1 Ų | 150.1 | 94% | 0.942 | 80% | 0.804 | S | S | * | * | | | trans | -126.4 | 52 | 161.3 | -83 | 175.3 | 0 | 0 | 0 | 111.2 | | |
| 988 | R | 37 | Very low | 36.9 | Very low | 238 Ų | 238 | 150 Ų | 150 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -129.1 | 141.3 | 156.8 | -84.1 | -179.9 | 163.9 | 178.1 | -5.7 | 107.3 | | |
| 989 | S | 33.3 | Very low | 37.1 | Very low | 123 Ų | 123 | 158.2 Ų | 158.2 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | | | trans | 77.2 | 71.6 | -173 | -156.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 990 | R | 36.6 | Very low | 37.3 | Very low | 229 Ų | 229 | 157 Ų | 157 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | | | trans | -144 | 157.3 | 133.2 | -82 | -162.8 | -99 | -154.3 | -3.6 | 107.1 | | |
| 991 | Y | 38.2 | Very low | 37.3 | Very low | 228 Ų | 228 | 157.1 Ų | 157.1 | 89% | 0.894 | 83% | 0.83 | S | S | * | * | | | trans | 73.5 | 68 | -167.7 | -48.6 | -71.2 | 0 | 0 | 0 | 115.1 | | |
| 992 | N | 36.6 | Very low | 37.4 | Very low | 166 Ų | 166 | 160.1 Ų | 160.1 | 89% | 0.888 | 84% | 0.837 | S | S | * | * | | | trans | -149.6 | 57.7 | 154.9 | -149.2 | 30.4 | 0 | 0 | 0 | 110.8 | | |
| 993 | E | 36.4 | Very low | 37.3 | Very low | 181 Ų | 181 | 163.1 Ų | 163.1 | 85% | 0.846 | 85% | 0.847 | S | S | * | * | | | trans | -160.4 | 150.6 | 171.5 | -109.5 | 164 | -159.1 | 0 | 0 | 107.4 | | |
| 994 | N | 41.3 | Very low | 37.3 | Very low | 154 Ų | 154 | 165.2 Ų | 165.2 | 82% | 0.824 | 85% | 0.847 | S | S | * | * | | | trans | 70.3 | 72.9 | -161.6 | -52.7 | -9.7 | 0 | 0 | 0 | 112.3 | | |
| 995 | S | 33.8 | Very low | 37.3 | Very low | 102 Ų | 102 | 163.2 Ų | 163.2 | 71% | 0.713 | 84% | 0.843 | S | S | * | * | | | | 56.5 | 113.9 | 58.4 | 81.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 996 | S | 34.9 | Very low | 37.4 | Very low | 106 Ų | 106 | 168.5 Ų | 168.5 | 74% | 0.741 | 85% | 0.85 | S | S | * | * | | | trans | 79.8 | 145.3 | 157.7 | 79.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 997 | L | 39.4 | Very low | 37.7 | Very low | 140 Ų | 140 | 173.4 Ų | 173.4 | 73% | 0.733 | 86% | 0.859 | S | S | * | * | | | trans | 81.4 | 105.7 | 166.2 | -83.3 | 67.9 | 0 | 0 | 0 | 120.3 | | |
| 998 | I | 45.9 | Very low | 37.8 | Very low | 147 Ų | 147 | 172.8 Ų | 172.8 | 75% | 0.754 | 85% | 0.852 | S | S | * | * | | | | 65.9 | 126.1 | 127.7 | -56.8 | 164 | 0 | 0 | 0 | 116.4 | | |
| 999 | E | 40.7 | Very low | 37.9 | Very low | 260 Ų | 260 | 166.9 Ų | 166.9 | 100% | 1.215 | 85% | 0.848 | S | S | * | * | | | cis | -138.9 | 0 | 16.2 | -159.8 | 167.5 | -166.3 | 0 | 0 | 111.3 | | |