| 1 | M | 40.7 | Very low | 65.1 | Low | 242 Ų | 242 | 131.7 Ų | 131.7 | 100% | 1.192 | 68% | 0.684 | S | S | * | * | | | | 0 | 142.5 | 0 | -68.5 | 140 | 71.2 | 0 | 0 | 107.8 | | |
| 2 | A | 50.7 | Low | 65.7 | Low | 82 Ų | 82 | 128.8 Ų | 128.8 | 68% | 0.678 | 67% | 0.67 | S | S | * | * | | | trans | -80.1 | 128.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | H4 | A2-H4 PolarHBondContact O-N 3.34Å; A2-H4 VanDerWaalsContact O-N 3.14Å |
| 3 | Q | 60.8 | Low | 65.9 | Low | 165 Ų | 165 | 131.8 Ų | 131.8 | 77% | 0.771 | 68% | 0.675 | S | S | * | * | | | trans | -77.8 | 97 | 172.9 | -177.7 | 177.1 | -31.5 | 0 | 0 | 108.3 | D5 | Q3-D5 PolarHBondContact NE2-OD1 3.24Å; Q3-D5 PolarHBondContact O-N 3.05Å |
| 4 | H | 62.6 | Low | 65.2 | Low | 146 Ų | 146 | 131 Ų | 131 | 68% | 0.676 | 69% | 0.687 | S | S | * | * | | | trans | -81.3 | 110.2 | 165.5 | -75.7 | -92.5 | 0 | 0 | 0 | 108 | A2 F6 | A2-H4 PolarHBondContact O-N 3.34Å; A2-H4 VanDerWaalsContact O-N 3.14Å; H4-F6 HydrophobicContact CB-CE2 4.4Å; H4-F6 WeakPolarHBondContact O-CD2 3.47Å; H4-F6 PolarHBondContact O-N 2.77Å |
| 5 | D | 71.3 | Confident | 64.8 | Low | 111 Ų | 111 | 129.7 Ų | 129.7 | 59% | 0.594 | 69% | 0.687 | S | S | * | * | | | trans | -68 | 112.5 | 169.4 | -71 | -33.5 | 0 | 0 | 0 | 108.5 | Q3 V7 | Q3-D5 PolarHBondContact NE2-OD1 3.24Å; Q3-D5 PolarHBondContact O-N 3.05Å; D5-V7 HydrophobicContact CB-CG2 4.22Å; D5-V7 PolarHBondContact O-N 3.05Å |
| 6 | F | 68.4 | Low | 64 | Low | 202 Ų | 202 | 129.1 Ų | 129.1 | 89% | 0.886 | 69% | 0.692 | S | S | * | * | | | trans | -74.3 | 36.9 | 178 | -84.7 | -93.1 | 0 | 0 | 0 | 112.6 | H4 P8 | H4-F6 HydrophobicContact CB-CE2 4.4Å; H4-F6 WeakPolarHBondContact O-CD2 3.47Å; H4-F6 PolarHBondContact O-N 2.77Å; F6-P8 WeakPolarHBondContact O-CD 3.28Å |
| 7 | V | 73.5 | Confident | 63.5 | Low | 57 Ų | 57 | 131.2 Ų | 131.2 | 35% | 0.345 | 70% | 0.697 | S | S | . | * | | | trans | -78.1 | 121.3 | 174.9 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | D5 L11 N12 | D5-V7 HydrophobicContact CB-CG2 4.22Å; D5-V7 PolarHBondContact O-N 3.05Å; V7-L11 HydrophobicContact CG1-CB 3.78Å; V7-L11 HydrophobicContact CG1-CD2 4.41Å; V7-L11 HydrophobicContact CG1-CG 4.18Å; V7-L11 WeakPolarHBondContact CG1-O 3.47Å; V7-N12 PolarHBondContact O-ND2 2.76Å |
| 8 | P | 73.1 | Confident | 62.4 | Low | 60 Ų | 60 | 130.1 Ų | 130.1 | 39% | 0.39 | 70% | 0.699 | S | S | . | * | | | trans | -54.7 | 147 | 175.8 | -26.5 | 35.6 | 0 | 0 | 0 | 111.5 | F6 W10 L11 N12 | F6-P8 WeakPolarHBondContact O-CD 3.28Å; P8-W10 HydrophobicContact CB-CD2 4.27Å; P8-W10 HydrophobicContact CB-CG 4.25Å; P8-W10 HydrophobicContact CB-CZ2 4.26Å; P8-W10 VanDerWaalsContact CB-NE1 3.3Å; P8-W10 HydrophobicContact CG-CZ2 4.27Å; P8-W10 PolarHBondContact O-N 2.85Å; P8-L11 PolarHBondContact O-N 3.06Å; P8-N12 PolarHBondContact O-N 3.13Å |
| 9 | A | 67.3 | Low | 61.1 | Low | 95 Ų | 95 | 128.4 Ų | 128.4 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -57.5 | -25.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 10 | W | 72.6 | Confident | 60.4 | Low | 213 Ų | 213 | 132.3 Ų | 132.3 | 81% | 0.807 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -78.3 | -13.6 | 175.7 | 58.4 | -100 | 0 | 0 | 0 | 114.7 | P8 | P8-W10 HydrophobicContact CB-CD2 4.27Å; P8-W10 HydrophobicContact CB-CG 4.25Å; P8-W10 HydrophobicContact CB-CZ2 4.26Å; P8-W10 VanDerWaalsContact CB-NE1 3.3Å; P8-W10 HydrophobicContact CG-CZ2 4.27Å; P8-W10 PolarHBondContact O-N 2.85Å |
| 11 | L | 74.6 | Confident | 59.4 | Low | 76 Ų | 76 | 131.2 Ų | 131.2 | 40% | 0.398 | 72% | 0.717 | S | S | . | * | G | 310 helix | trans | -109 | 5.6 | 179.8 | -164 | 65.9 | 0 | 0 | 0 | 112.4 | V7 P8 F13 | V7-L11 HydrophobicContact CG1-CB 3.78Å; V7-L11 HydrophobicContact CG1-CD2 4.41Å; V7-L11 HydrophobicContact CG1-CG 4.18Å; V7-L11 WeakPolarHBondContact CG1-O 3.47Å; P8-L11 PolarHBondContact O-N 3.06Å; L11-F13 HydrophobicContact CD1-CE2 3.91Å; L11-F13 WeakPolarHBondContact O-CD2 3.36Å; L11-F13 PolarHBondContact O-N 2.8Å |
| 12 | N | 72.4 | Confident | 59.3 | Low | 97 Ų | 97 | 125.7 Ų | 125.7 | 52% | 0.519 | 70% | 0.699 | S | S | . | * | | | trans | -78.3 | 84.3 | 179.5 | -109.2 | -50.1 | 0 | 0 | 0 | 111.6 | V7 P8 S14 | V7-N12 PolarHBondContact O-ND2 2.76Å; P8-N12 PolarHBondContact O-N 3.13Å; N12-S14 PolarHBondContact O-N 2.83Å |
| 13 | F | 69 | Low | 58.6 | Low | 167 Ų | 167 | 126.4 Ų | 126.4 | 73% | 0.732 | 71% | 0.705 | S | S | * | * | | | trans | -68 | 118.7 | 167.3 | -64.1 | -79.8 | 0 | 0 | 0 | 109.8 | L11 T15 | L11-F13 HydrophobicContact CD1-CE2 3.91Å; L11-F13 WeakPolarHBondContact O-CD2 3.36Å; L11-F13 PolarHBondContact O-N 2.8Å; F13-T15 PolarHBondContact O-N 2.81Å |
| 14 | S | 56.5 | Low | 57.5 | Low | 121 Ų | 121 | 123 Ų | 123 | 85% | 0.846 | 71% | 0.705 | S | S | * | * | | | trans | -58.5 | 97.1 | -177.8 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | N12 P16 | N12-S14 PolarHBondContact O-N 2.83Å; S14-P16 WeakPolarHBondContact O-CD 3.43Å; S14-P16 VanDerWaalsContact O-N 3.15Å |
| 15 | T | 59 | Low | 56.1 | Low | 112 Ų | 112 | 124.1 Ų | 124.1 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | | | trans | -56.7 | 116.3 | 176.5 | -46.5 | 0 | 0 | 0 | 0 | 109.9 | F13 Q17 | F13-T15 PolarHBondContact O-N 2.81Å; T15-Q17 PolarHBondContact O-N 2.87Å |
| 16 | P | 51.5 | Low | 54.5 | Low | 119 Ų | 119 | 126.2 Ų | 126.2 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | | | trans | -66.4 | 113.6 | -176.5 | 25.7 | -33.1 | 0 | 0 | 0 | 109.7 | S14 | S14-P16 WeakPolarHBondContact O-CD 3.43Å; S14-P16 VanDerWaalsContact O-N 3.15Å |
| 17 | Q | 55.6 | Low | 52.9 | Low | 165 Ų | 165 | 122.3 Ų | 122.3 | 77% | 0.771 | 72% | 0.715 | S | S | * | * | | | trans | -61.2 | 134.1 | 176.5 | -71.4 | -67.2 | -47.5 | 0 | 0 | 109.9 | T15 A19 | T15-Q17 PolarHBondContact O-N 2.87Å; Q17-A19 PolarHBondContact O-N 3.26Å |
| 18 | P | 43.8 | Very low | 51.3 | Low | 112 Ų | 112 | 127.6 Ų | 127.6 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | trans | -65.7 | 109.6 | 179.4 | 26.3 | -33.3 | 0 | 0 | 0 | 109.8 | K20 | P18-K20 PolarHBondContact O-N 2.98Å; P18-K20 VanDerWaalsContact O-N 3.1Å |
| 19 | A | 37.7 | Very low | 49.5 | Very low | 98 Ų | 98 | 134 Ų | 134 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | | | trans | -64.2 | 111.5 | -179 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q17 S21 | Q17-A19 PolarHBondContact O-N 3.26Å; A19-S21 PolarHBondContact O-N 2.68Å |
| 20 | K | 47.7 | Very low | 47.7 | Very low | 205 Ų | 205 | 133 Ų | 133 | 89% | 0.891 | 76% | 0.757 | S | S | * | * | | | trans | -70.4 | 109.1 | 169.2 | -72.1 | -179.6 | 177 | 177.8 | 0 | 108.9 | P18 | P18-K20 PolarHBondContact O-N 2.98Å; P18-K20 VanDerWaalsContact O-N 3.1Å |
| 21 | S | 38.2 | Very low | 45.8 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 127.9 | 169.5 | 42 | 0 | 0 | 0 | 0 | 110.5 | A19 A23 | A19-S21 PolarHBondContact O-N 2.68Å; S21-A23 PolarHBondContact O-N 3.43Å |
| 22 | P | 39.7 | Very low | 44.6 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 118.8 | 162.3 | 30.2 | -29.8 | 0 | 0 | 0 | 108.2 | | |
| 23 | A | 34.9 | Very low | 42.8 | Very low | 96 Ų | 96 | 137 Ų | 137 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 150.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | S21 | S21-A23 PolarHBondContact O-N 3.43Š|
| 24 | A | 38.3 | Very low | 41.6 | Very low | 94 Ų | 94 | 138 Ų | 138 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 144 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 25 | N | 32.6 | Very low | 40.5 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | | | trans | -139.9 | 126.2 | 156.9 | -119.9 | -112.2 | 0 | 0 | 0 | 109.3 | | |
| 26 | L | 38.2 | Very low | 39.3 | Very low | 156 Ų | 156 | 145.1 Ų | 145.1 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | | | trans | -112.7 | 108.7 | 179.9 | 167.4 | 79.2 | 0 | 0 | 0 | 106.3 | | |
| 27 | D | 34.8 | Very low | 38.5 | Very low | 120 Ų | 120 | 146.6 Ų | 146.6 | 64% | 0.642 | 80% | 0.796 | S | S | * | * | | | trans | -168.5 | 114 | 144.7 | -103.6 | -34.6 | 0 | 0 | 0 | 114.7 | | |
| 28 | K | 40.3 | Very low | 37.8 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | | | | 47.9 | 121.3 | 127.9 | -67.1 | -176.1 | -164.6 | 100 | 0 | 122.5 | | |
| 29 | Q | 34.1 | Very low | 37.9 | Very low | 195 Ų | 195 | 149.1 Ų | 149.1 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | | | trans | 84.3 | 140.5 | 135.9 | -63.4 | -68.9 | -6.3 | 0 | 0 | 120.7 | | |
| 30 | G | 30.7 | Very low | 38.3 | Very low | 74 Ų | 74 | 150.3 Ų | 150.3 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | | | trans | 135.2 | 113.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 31 | E | 31.8 | Very low | 38.1 | Very low | 189 Ų | 189 | 145 Ų | 145 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -98.3 | -172 | 172.1 | -136 | -140.4 | 153.4 | 0 | 0 | 110.7 | | |
| 32 | P | 51.1 | Low | 38.3 | Very low | 80 Ų | 80 | 146 Ų | 146 | 52% | 0.519 | 80% | 0.799 | S | S | . | * | | | | -121.9 | 152.7 | -123.4 | 36.7 | -17.6 | 0 | 0 | 0 | 114.2 | | |
| 33 | H | 33.3 | Very low | 38.3 | Very low | 199 Ų | 199 | 144.7 Ų | 144.7 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | | | trans | -131.1 | 124.7 | 164.8 | -96.1 | 26.7 | 0 | 0 | 0 | 111.7 | | |
| 34 | H | 43.2 | Very low | 38.9 | Very low | 189 Ų | 189 | 151 Ų | 151 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | | | trans | -75.9 | 131.1 | 170.5 | -64.3 | -81.3 | 0 | 0 | 0 | 110.1 | | |
| 35 | H | 34.4 | Very low | 39.2 | Very low | 174 Ų | 174 | 155.9 Ų | 155.9 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | | | trans | -135.8 | 147.5 | 148.5 | -158.1 | -81.3 | 0 | 0 | 0 | 110.6 | | |
| 36 | R | 34 | Very low | 40 | Very low | 208 Ų | 208 | 159 Ų | 159 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -60.2 | 151.4 | 174.2 | -58.8 | 179 | 169 | -177.8 | -2.7 | 110.2 | | |
| 37 | D | 34 | Very low | 40.2 | Very low | 150 Ų | 150 | 160.1 Ų | 160.1 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | | -152 | 155.4 | 65 | -95.3 | -39.9 | 0 | 0 | 0 | 117.1 | | |
| 38 | A | 42 | Very low | 40.5 | Very low | 92 Ų | 92 | 160.5 Ų | 160.5 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | | | trans | -98.1 | 118.8 | -171 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 39 | R | 45.3 | Very low | 40.9 | Very low | 239 Ų | 239 | 158.2 Ų | 158.2 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | | | trans | -142.3 | 112.6 | 153.4 | -59.7 | -171.5 | -153.2 | -165.9 | 8.3 | 109.5 | A41 | R39-A41 PolarHBondContact O-N 2.71Š|
| 40 | P | 46.7 | Very low | 41.7 | Very low | 122 Ų | 122 | 153.3 Ų | 153.3 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | trans | -68.8 | 104.5 | 165.9 | 28.4 | -31.4 | 0 | 0 | 0 | 108.2 | V42 | P40-V42 PolarHBondContact O-N 2.93Š|
| 41 | A | 41.8 | Very low | 42.4 | Very low | 93 Ų | 93 | 157.4 Ų | 157.4 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | -61.4 | 120.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | R39 S43 | R39-A41 PolarHBondContact O-N 2.71Å; A41-S43 PolarHBondContact O-N 3.18Å |
| 42 | V | 43.7 | Very low | 43.3 | Very low | 132 Ų | 132 | 151.5 Ų | 151.5 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | | | trans | -73.2 | 76.7 | 178.7 | -176 | 0 | 0 | 0 | 0 | 109.1 | P40 R44 | P40-V42 PolarHBondContact O-N 2.93Å; V42-R44 HydrophobicContact CG1-CG 4.43Å; V42-R44 PolarHBondContact O-N 2.82Å |
| 43 | S | 38.9 | Very low | 43.3 | Very low | 100 Ų | 100 | 156.6 Ų | 156.6 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | | | trans | -62.1 | 103 | 165.7 | -176.8 | 0 | 0 | 0 | 0 | 107.5 | A41 R45 | A41-S43 PolarHBondContact O-N 3.18Å; S43-R45 PolarHBondContact O-N 3.38Å |
| 44 | R | 47.7 | Very low | 43.6 | Very low | 228 Ų | 228 | 157.2 Ų | 157.2 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -71.1 | 61.6 | 167.1 | -71 | -173 | 174.3 | -170.1 | -1.6 | 109.3 | V42 R46 | V42-R44 HydrophobicContact CG1-CG 4.43Å; V42-R44 PolarHBondContact O-N 2.82Å; R44-R46 PolarHBondContact O-N 3.29Å |
| 45 | R | 44 | Very low | 43.8 | Very low | 196 Ų | 196 | 155.4 Ų | 155.4 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | | | trans | -59.7 | 103.9 | 170.6 | -172.4 | 179.3 | -164.2 | -98.3 | 3.1 | 106.5 | S43 H47 | S43-R45 PolarHBondContact O-N 3.38Å; R45-H47 PolarHBondContact O-N 3.29Å |
| 46 | R | 49.8 | Very low | 44.3 | Very low | 234 Ų | 234 | 154.9 Ų | 154.9 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | trans | -52.4 | 116 | 176.8 | -74.2 | 175.7 | 169.3 | -102.4 | 4 | 108 | R44 N48 | R44-R46 PolarHBondContact O-N 3.29Å; R46-N48 PolarHBondContact O-N 3.49Å; R46-N48 VanDerWaalsContact O-N 3.08Å |
| 47 | H | 42.2 | Very low | 44.3 | Very low | 180 Ų | 180 | 148 Ų | 148 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | | | trans | -70 | 105.3 | 177.2 | -56.7 | -85.2 | 0 | 0 | 0 | 107.7 | R45 S49 | R45-H47 PolarHBondContact O-N 3.29Å; H47-S49 PolarHBondContact O-N 3.37Å |
| 48 | N | 41.7 | Very low | 44.8 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 69% | 0.69 | 79% | 0.791 | S | S | * | * | | | trans | -81.7 | 109.8 | 166.9 | -174.8 | 30.2 | 0 | 0 | 0 | 108.1 | R46 S50 | R46-N48 PolarHBondContact O-N 3.49Å; R46-N48 VanDerWaalsContact O-N 3.08Å; N48-S50 PolarHBondContact ND2-OG 3.25Å; N48-S50 PolarHBondContact O-N 2.86Å |
| 49 | S | 49.4 | Very low | 44.7 | Very low | 119 Ų | 119 | 149.4 Ų | 149.4 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 70.1 | -173.7 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | H47 | H47-S49 PolarHBondContact O-N 3.37Š|
| 50 | S | 50.3 | Low | 44.3 | Very low | 92 Ų | 92 | 149.2 Ų | 149.2 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.5 | -2.9 | 176.4 | 71.9 | 0 | 0 | 0 | 0 | 116 | N48 | N48-S50 PolarHBondContact ND2-OG 3.25Å; N48-S50 PolarHBondContact O-N 2.86Å |
| 51 | D | 45.6 | Very low | 44 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | | | trans | -113.1 | 57.9 | -161.8 | -153.4 | 22.2 | 0 | 0 | 0 | 111.3 | | |
| 52 | G | 50.5 | Low | 44.1 | Very low | 65 Ų | 65 | 149.1 Ų | 149.1 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | | | trans | -137.2 | 8.7 | -162.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 53 | F | 50.1 | Low | 43.8 | Very low | 188 Ų | 188 | 148 Ų | 148 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -131.5 | 154.4 | 174.8 | -80.8 | -92.7 | 0 | 0 | 0 | 110.4 | | |
| 54 | F | 41.3 | Very low | 43.6 | Very low | 212 Ų | 212 | 146.8 Ų | 146.8 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | | | trans | 69 | 49.1 | -174.3 | -46.7 | -69.7 | 0 | 0 | 0 | 116.3 | | |
| 55 | N | 46.4 | Very low | 43.3 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | | | trans | -113.2 | 107.5 | 144.4 | -172.3 | 1 | 0 | 0 | 0 | 109.7 | | |
| 56 | N | 44.5 | Very low | 42.8 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | | | trans | -152.1 | 108.5 | 156.4 | -103 | -31.8 | 0 | 0 | 0 | 107.7 | | |
| 57 | G | 35.1 | Very low | 41.9 | Very low | 63 Ų | 63 | 138 Ų | 138 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | | | trans | -71.6 | 162.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 58 | S | 43.5 | Very low | 41.6 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | -59.9 | 137.2 | 173.4 | 178.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 59 | L | 39.9 | Very low | 41.3 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | | | | -179.1 | 136.2 | 123.7 | -96.4 | 162.1 | 0 | 0 | 0 | 113.4 | | |
| 60 | R | 37.4 | Very low | 40.9 | Very low | 234 Ų | 234 | 139.3 Ų | 139.3 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | trans | 64.9 | 114.2 | 152.9 | -173 | 179.8 | -73.6 | -104.6 | 3.6 | 119.5 | | |
| 61 | A | 40.2 | Very low | 40.3 | Very low | 87 Ų | 87 | 140.4 Ų | 140.4 | 72% | 0.719 | 81% | 0.806 | S | S | * | * | | | trans | -86.2 | 168.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 62 | P | 43.8 | Very low | 40.4 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | | -145.7 | -175 | 74.7 | 41.3 | -22.9 | 0 | 0 | 0 | 116.1 | | |
| 63 | A | 38.5 | Very low | 39.9 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | | | trans | -29.8 | 143.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 64 | G | 34.1 | Very low | 39.5 | Very low | 75 Ų | 75 | 141.8 Ų | 141.8 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | 167.1 | 135.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 65 | D | 41 | Very low | 39.4 | Very low | 177 Ų | 177 | 141 Ų | 141 | 95% | 0.947 | 80% | 0.795 | S | S | * | * | | | trans | -73.6 | 142.4 | 179.4 | -58.4 | -79.6 | 0 | 0 | 0 | 112.8 | | |
| 66 | G | 32.8 | Very low | 39.6 | Very low | 60 Ų | 60 | 140.7 Ų | 140.7 | 62% | 0.619 | 79% | 0.788 | S | S | * | * | | | trans | 154.9 | 109.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 67 | W | 32.2 | Very low | 39 | Very low | 236 Ų | 236 | 139.6 Ų | 139.6 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | | | trans | 74.4 | 125.7 | 139.7 | -60.9 | 100.3 | 0 | 0 | 0 | 122.5 | | |
| 68 | Q | 34.7 | Very low | 39.3 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | | | trans | 72.4 | 90.6 | 146 | -63.3 | 178.1 | 41.8 | 0 | 0 | 119.3 | | |
| 69 | Q | 35.6 | Very low | 39.4 | Very low | 177 Ų | 177 | 142.6 Ų | 142.6 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | | | trans | -68.3 | 129.4 | 144.7 | -74 | -74.8 | -67.2 | 0 | 0 | 109.9 | S71 | Q69-S71 PolarHBondContact O-N 2.81Š|
| 70 | P | 42.7 | Very low | 39.2 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | trans | -82.2 | 105.9 | 168.3 | 31.2 | -30.8 | 0 | 0 | 0 | 110.4 | L72 | P70-L72 PolarHBondContact O-N 3.1Š|
| 71 | S | 37.3 | Very low | 39.4 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | | | trans | -59.3 | 121.1 | 179.6 | -54.7 | 0 | 0 | 0 | 0 | 112.2 | Q69 | Q69-S71 PolarHBondContact O-N 2.81Š|
| 72 | L | 47.4 | Very low | 39.4 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | trans | -72.2 | 130.9 | 175.7 | -69.8 | 174.4 | 0 | 0 | 0 | 111.1 | P70 L74 | P70-L72 PolarHBondContact O-N 3.1Å; L72-L74 PolarHBondContact O-N 2.64Å |
| 73 | L | 40.3 | Very low | 39.2 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | | | trans | -74.5 | 83 | 177.3 | -86.5 | 158.8 | 0 | 0 | 0 | 111.6 | R75 | L73-R75 HydrophobicContact CD2-CG 4.33Å; L73-R75 PolarHBondContact O-N 2.95Å |
| 74 | L | 41.7 | Very low | 39.2 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 71% | 0.707 | 78% | 0.777 | S | S | * | * | | | trans | -79 | 86.9 | 157.8 | -97.8 | 65.6 | 0 | 0 | 0 | 109.1 | L72 | L72-L74 PolarHBondContact O-N 2.64Š|
| 75 | R | 39.3 | Very low | 39.9 | Very low | 194 Ų | 194 | 141.3 Ų | 141.3 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | | | trans | -88.2 | 100.1 | 160.6 | -73.5 | -169.7 | -179.7 | -85.2 | -2 | 108.7 | L73 | L73-R75 HydrophobicContact CD2-CG 4.33Å; L73-R75 PolarHBondContact O-N 2.95Å |
| 76 | H | 49 | Very low | 39.5 | Very low | 144 Ų | 144 | 136.7 Ų | 136.7 | 67% | 0.667 | 78% | 0.775 | S | S | * | * | | | trans | -88.5 | 101 | 162.1 | -73 | -97 | 0 | 0 | 0 | 108 | S78 | H76-S78 PolarHBondContact O-N 3.37Š|
| 77 | D | 32.8 | Very low | 39.7 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | | | trans | -79.4 | 69.9 | 169.5 | -68.4 | -33.6 | 0 | 0 | 0 | 109.4 | V79 | D77-V79 PolarHBondContact O-N 2.88Š|
| 78 | S | 41.7 | Very low | 40 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | | | trans | -81.9 | 100.9 | 170.2 | -67.1 | 0 | 0 | 0 | 0 | 109.5 | H76 D80 | H76-S78 PolarHBondContact O-N 3.37Å; S78-D80 VanDerWaalsContact C-N 3.35Å; S78-D80 PolarHBondContact O-N 2.96Å; S78-D80 VanDerWaalsContact O-N 3.07Å |
| 79 | V | 44.9 | Very low | 39.8 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | | | trans | -80.2 | 78.3 | 174.5 | -73.7 | 0 | 0 | 0 | 0 | 111.7 | D77 | D77-V79 PolarHBondContact O-N 2.88Š|
| 80 | D | 35.5 | Very low | 39.7 | Very low | 151 Ų | 151 | 126.6 Ų | 126.6 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | | | trans | -88 | 119.1 | 162.7 | -169.9 | -4.8 | 0 | 0 | 0 | 109.3 | S78 G82 | S78-D80 VanDerWaalsContact C-N 3.35Å; S78-D80 PolarHBondContact O-N 2.96Å; S78-D80 VanDerWaalsContact O-N 3.07Å; D80-G82 PolarHBondContact OD1-N 2.96Å |
| 81 | S | 41.6 | Very low | 39.5 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | | | trans | -120.5 | 48.5 | -174.7 | -68.1 | 0 | 0 | 0 | 0 | 112 | V83 | S81-V83 PolarHBondContact O-N 3.07Å; S81-V83 VanDerWaalsContact O-N 3.1Å |
| 82 | G | 40.8 | Very low | 39.3 | Very low | 67 Ų | 67 | 129 Ų | 129 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | | | trans | -59.5 | 106.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D80 A84 | D80-G82 PolarHBondContact OD1-N 2.96Å; G82-A84 PolarHBondContact O-N 3.11Å |
| 83 | V | 40 | Very low | 38.4 | Very low | 135 Ų | 135 | 125 Ų | 125 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -76.8 | 101.1 | -179.5 | 51.8 | 0 | 0 | 0 | 0 | 112.2 | S81 K85 | S81-V83 PolarHBondContact O-N 3.07Å; S81-V83 VanDerWaalsContact O-N 3.1Å; V83-K85 PolarHBondContact O-N 2.95Å |
| 84 | A | 37.1 | Very low | 38 | Very low | 106 Ų | 106 | 121.5 Ų | 121.5 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | | | trans | -75 | 103.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G82 | G82-A84 PolarHBondContact O-N 3.11Š|
| 85 | K | 49.7 | Very low | 37.7 | Very low | 198 Ų | 198 | 120 Ų | 120 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | | | trans | -109.4 | 117.3 | 169 | -165.3 | 174.1 | -177.8 | -179.5 | 0 | 109.1 | V83 | V83-K85 PolarHBondContact O-N 2.95Š|
| 86 | G | 33.6 | Very low | 37.4 | Very low | 79 Ų | 79 | 115.4 Ų | 115.4 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | | | trans | -72.8 | 143.3 | -160.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 87 | G | 35.5 | Very low | 36.6 | Very low | 82 Ų | 82 | 119.1 Ų | 119.1 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | -103 | 144.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 88 | H | 38.1 | Very low | 36.8 | Very low | 189 Ų | 189 | 121 Ų | 121 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | | | trans | -107.1 | 129.8 | 179.1 | 45.5 | -90.3 | 0 | 0 | 0 | 110 | | |
| 89 | G | 32.3 | Very low | 36.3 | Very low | 81 Ų | 81 | 123.3 Ų | 123.3 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | | | trans | 156.5 | 108.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 90 | G | 33.4 | Very low | 36 | Very low | 75 Ų | 75 | 121.2 Ų | 121.2 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | -102.5 | 156.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 91 | L | 37.2 | Very low | 36.6 | Very low | 181 Ų | 181 | 120 Ų | 120 | 95% | 0.948 | 80% | 0.796 | S | S | * | * | | | trans | -165.1 | 162.8 | 138.1 | -103.9 | 169.5 | 0 | 0 | 0 | 110.7 | | |
| 92 | A | 32.6 | Very low | 36.1 | Very low | 97 Ų | 97 | 120.8 Ų | 120.8 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | | | trans | -42.4 | 154.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 93 | G | 29.7 | Very low | 35.7 | Very low | 76 Ų | 76 | 127.7 Ų | 127.7 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | | | | 138.8 | 97.3 | 114.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 94 | G | 31.3 | Very low | 35.7 | Very low | 74 Ų | 74 | 129.2 Ų | 129.2 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | | | trans | 67.9 | 166.1 | 150.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 95 | S | 35.5 | Very low | 35.3 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | cis | 177.1 | 135.9 | -29.6 | 41.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 96 | C | 33.4 | Very low | 34.5 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | | | trans | 63.7 | 160.1 | 161.7 | -61.3 | 0 | 0 | 0 | 0 | 117 | | |
| 97 | W | 31.4 | Very low | 35.3 | Very low | 223 Ų | 223 | 124.5 Ų | 124.5 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | cis | -120.3 | -176.4 | -10.4 | -57.9 | 84.9 | 0 | 0 | 0 | 107.5 | | |
| 98 | K | 36.9 | Very low | 35.3 | Very low | 181 Ų | 181 | 132.1 Ų | 132.1 | 79% | 0.787 | 79% | 0.789 | S | S | * | * | | | cis | -162.2 | 167.7 | 19.6 | -155.4 | 172.1 | -175.8 | -56.3 | 0 | 109.9 | | |
| 99 | E | 32.5 | Very low | 34.9 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | trans | -89.3 | 153.1 | -165 | -49.6 | 91.7 | 148 | 0 | 0 | 117 | | |
| 100 | A | 36.9 | Very low | 34.7 | Very low | 94 Ų | 94 | 127 Ų | 127 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | | | trans | -143.1 | 153.2 | 151.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 101 | P | 49.5 | Very low | 34.6 | Very low | 124 Ų | 124 | 128 Ų | 128 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | | | trans | -100.8 | 140.4 | -145.4 | 35.8 | -35.7 | 0 | 0 | 0 | 117.7 | | |
| 102 | N | 30.1 | Very low | 34.6 | Very low | 123 Ų | 123 | 128 Ų | 128 | 66% | 0.658 | 78% | 0.783 | S | S | * | * | | | | 26.3 | 129.1 | 129.4 | -160 | 35.9 | 0 | 0 | 0 | 119.8 | | |
| 103 | W | 32.3 | Very low | 34.8 | Very low | 212 Ų | 212 | 131.3 Ų | 131.3 | 80% | 0.803 | 79% | 0.787 | S | S | * | * | | | | -168.3 | 152 | 116.8 | -94.5 | 110.4 | 0 | 0 | 0 | 111.9 | | |
| 104 | H | 39.5 | Very low | 34.9 | Very low | 168 Ų | 168 | 130.5 Ų | 130.5 | 78% | 0.778 | 78% | 0.778 | S | S | * | * | | | trans | 69.6 | 94.8 | 166.9 | -49.9 | -54.3 | 0 | 0 | 0 | 120.3 | | |
| 105 | G | 30.4 | Very low | 35.3 | Very low | 83 Ų | 83 | 135.4 Ų | 135.4 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | | | | 103.4 | 93.7 | 117.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 106 | A | 32 | Very low | 35.4 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | | | trans | -109.3 | 177.8 | 150.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 107 | P | 49.8 | Very low | 35.7 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | | | cis | -137.4 | -162.4 | 2.3 | 37.2 | -15.2 | 0 | 0 | 0 | 114.4 | | |
| 108 | R | 35.6 | Very low | 36 | Very low | 242 Ų | 242 | 140.7 Ų | 140.7 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | | | trans | 81.6 | 141.2 | 171.7 | -46.9 | 168.3 | -169.8 | -96.1 | 1.2 | 115.3 | | |
| 109 | G | 29.2 | Very low | 35.8 | Very low | 83 Ų | 83 | 135.1 Ų | 135.1 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | | | cis | 140.9 | 122.2 | -19 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 110 | G | 29.5 | Very low | 36 | Very low | 78 Ų | 78 | 139.8 Ų | 139.8 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | 102.7 | 156 | 160.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 111 | A | 31.7 | Very low | 36.2 | Very low | 97 Ų | 97 | 143.4 Ų | 143.4 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | | | trans | 60 | 117.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 112 | Q | 36.1 | Very low | 36.3 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | | | | 64.4 | 111.1 | 69.3 | -70 | -172.7 | -2.9 | 0 | 0 | 114.1 | | |
| 113 | D | 36.3 | Very low | 37 | Very low | 165 Ų | 165 | 146.1 Ų | 146.1 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | | | | -164.3 | 161.3 | 118.9 | -102.1 | -27.3 | 0 | 0 | 0 | 110.1 | | |
| 114 | G | 32.7 | Very low | 37.3 | Very low | 59 Ų | 59 | 147.7 Ų | 147.7 | 61% | 0.608 | 81% | 0.81 | S | S | * | * | | | trans | -171.1 | 153.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 115 | H | 39.2 | Very low | 36.8 | Very low | 178 Ų | 178 | 143.7 Ų | 143.7 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | | | trans | -138.3 | 137.9 | 176.4 | -73.2 | -55.1 | 0 | 0 | 0 | 112.3 | | |
| 116 | H | 38.8 | Very low | 36.9 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | | | trans | -97.3 | 145.5 | 171.3 | -73.2 | 36.5 | 0 | 0 | 0 | 110.2 | | |
| 117 | H | 38.8 | Very low | 36.9 | Very low | 187 Ų | 187 | 143 Ų | 143 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | | | trans | -136.1 | 137 | 154.6 | -77.5 | -67.8 | 0 | 0 | 0 | 112.9 | | |
| 118 | Q | 38 | Very low | 36.3 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | | | trans | -80.6 | 167.2 | 172 | -54.3 | -89.3 | -20 | 0 | 0 | 108.9 | | |
| 119 | G | 33.5 | Very low | 36.5 | Very low | 64 Ų | 64 | 144.5 Ų | 144.5 | 66% | 0.66 | 82% | 0.821 | S | S | * | * | | | cis | 143.2 | 169 | -0.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 120 | R | 36.4 | Very low | 36.9 | Very low | 249 Ų | 249 | 147.7 Ų | 147.7 | 94% | 0.94 | 82% | 0.818 | S | S | * | * | | | trans | 81.6 | 155.1 | 169.8 | -57.4 | -173.9 | 174 | -83.8 | -3.9 | 120 | | |
| 121 | H | 41.1 | Very low | 37.4 | Very low | 169 Ų | 169 | 155.3 Ų | 155.3 | 78% | 0.782 | 82% | 0.822 | S | S | * | * | | | trans | -146.9 | 132.7 | -173.8 | 168.6 | -6.1 | 0 | 0 | 0 | 108.4 | | |
| 122 | P | 51.1 | Low | 37.7 | Very low | 120 Ų | 120 | 160.2 Ų | 160.2 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | | | trans | -103.5 | 162.4 | 172.9 | 37.3 | -31.6 | 0 | 0 | 0 | 112.8 | | |
| 123 | K | 45.9 | Very low | 37.7 | Very low | 185 Ų | 185 | 154.7 Ų | 154.7 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | -136.9 | 127.9 | -154.3 | -162.1 | 176.5 | -171.8 | 175.9 | 0 | 115.4 | | |
| 124 | R | 37.8 | Very low | 38.2 | Very low | 245 Ų | 245 | 151.3 Ų | 151.3 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | | | trans | 73 | 143.5 | 156.4 | -96.5 | -178.5 | 170.3 | -105.6 | -0.6 | 121.7 | | |
| 125 | G | 29.9 | Very low | 38.9 | Very low | 84 Ų | 84 | 155.2 Ų | 155.2 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | | | trans | 109.7 | 126.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 126 | G | 32 | Very low | 39 | Very low | 86 Ų | 86 | 158.6 Ų | 158.6 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | | | cis | 165.4 | 129.7 | -11 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 127 | G | 31.5 | Very low | 39.1 | Very low | 78 Ų | 78 | 157 Ų | 157 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | | | trans | 170.9 | 145.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 128 | D | 37.4 | Very low | 38.9 | Very low | 158 Ų | 158 | 158.7 Ų | 158.7 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | | | trans | -63.9 | 135 | -172.4 | -70.4 | -97.1 | 0 | 0 | 0 | 116.6 | | |
| 129 | R | 40.2 | Very low | 38.8 | Very low | 221 Ų | 221 | 157 Ų | 157 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | | | | -174.2 | 145.1 | 97.5 | -97.5 | 171.7 | -168.1 | 157.5 | 6 | 113.6 | | |
| 130 | D | 38.2 | Very low | 38.9 | Very low | 150 Ų | 150 | 157 Ų | 157 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | | | trans | 52.9 | 116.9 | 155.5 | -53.7 | -45.4 | 0 | 0 | 0 | 121 | | |
| 131 | R | 40 | Very low | 39.1 | Very low | 237 Ų | 237 | 152 Ų | 152 | 89% | 0.894 | 81% | 0.812 | S | S | * | * | | | trans | -87.6 | 167.9 | 159.6 | -80.7 | 177.7 | 167.2 | 169.1 | -5.7 | 110.4 | | |
| 132 | Q | 36.8 | Very low | 38.9 | Very low | 201 Ų | 201 | 152.9 Ų | 152.9 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | | | trans | 73.8 | 151 | -179.8 | -47.5 | 173.9 | 72.6 | 0 | 0 | 112.3 | | |
| 133 | G | 36.7 | Very low | 38.4 | Very low | 66 Ų | 66 | 154.7 Ų | 154.7 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | | | cis | 175.5 | 139.8 | -2.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | H135 | G133-H135 PolarHBondContact O-N 2.93Š|
| 134 | G | 46.2 | Very low | 38.6 | Very low | 93 Ų | 93 | 151.9 Ų | 151.9 | 96% | 0.959 | 81% | 0.812 | S | S | * | * | | | trans | -72.1 | 90.5 | -169 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 135 | H | 46.5 | Very low | 38.6 | Very low | 142 Ų | 142 | 151.9 Ų | 151.9 | 66% | 0.657 | 81% | 0.812 | S | S | * | * | | | trans | -141.8 | 101.8 | 173.7 | -161.6 | 50.1 | 0 | 0 | 0 | 114.4 | G133 Q137 | G133-H135 PolarHBondContact O-N 2.93Å; H135-Q137 PolarHBondContact NE2-NE2 2.92Å; H135-Q137 VanDerWaalsContact NE2-NE2 3.11Å |
| 136 | R | 41.7 | Very low | 39.2 | Very low | 248 Ų | 248 | 157.6 Ų | 157.6 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | | | trans | -132.1 | 92.2 | 155.9 | -68.1 | -174 | 179 | -167 | 0.1 | 107.1 | | |
| 137 | Q | 41.7 | Very low | 39.3 | Very low | 138 Ų | 138 | 157 Ų | 157 | 65% | 0.645 | 81% | 0.808 | S | S | * | * | | | | 59.2 | 97.6 | 79.2 | -70.4 | -73.8 | 2.5 | 0 | 0 | 114.2 | H135 | H135-Q137 PolarHBondContact NE2-NE2 2.92Å; H135-Q137 VanDerWaalsContact NE2-NE2 3.11Å |
| 138 | R | 34.8 | Very low | 39.3 | Very low | 223 Ų | 223 | 159.8 Ų | 159.8 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | | | trans | -155.3 | 100.7 | 138.2 | -150.4 | 168.6 | -169.5 | -170.7 | 1.8 | 114.4 | | |
| 139 | N | 34.7 | Very low | 39.3 | Very low | 140 Ų | 140 | 157.8 Ų | 157.8 | 75% | 0.749 | 81% | 0.807 | S | S | * | * | | | trans | 64.2 | 91.5 | 143.7 | -56.7 | 21.5 | 0 | 0 | 0 | 119.6 | | |
| 140 | G | 36.4 | Very low | 38.9 | Very low | 64 Ų | 64 | 157.7 Ų | 157.7 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | | | trans | -103 | 124.3 | 149.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F142 | G140-F142 PolarHBondContact O-N 2.81Š|
| 141 | N | 39.7 | Very low | 38.6 | Very low | 143 Ų | 143 | 158 Ų | 158 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | | | trans | -86.4 | 94.2 | -176.3 | -178.5 | 93.5 | 0 | 0 | 0 | 111.8 | | |
| 142 | F | 38.6 | Very low | 38.4 | Very low | 188 Ų | 188 | 152.5 Ų | 152.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -80.9 | 149.8 | 174.9 | -82.1 | -91.7 | 0 | 0 | 0 | 113.2 | G140 | G140-F142 PolarHBondContact O-N 2.81Š|
| 143 | H | 40.2 | Very low | 38.4 | Very low | 158 Ų | 158 | 152.3 Ų | 152.3 | 73% | 0.731 | 79% | 0.79 | S | S | * | * | | | trans | -126.2 | 111.7 | 161.3 | -75.9 | -5.3 | 0 | 0 | 0 | 108.5 | | |
| 144 | P | 49.5 | Very low | 38.5 | Very low | 126 Ų | 126 | 158.3 Ų | 158.3 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -77.5 | 131.1 | 174.8 | 31 | -32.3 | 0 | 0 | 0 | 110.2 | | |
| 145 | R | 37.8 | Very low | 38.4 | Very low | 245 Ų | 245 | 159.9 Ų | 159.9 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | | | trans | -116.8 | 135.7 | 154.7 | -67.5 | -166.2 | -167.2 | -125.2 | 3 | 108.4 | | |
| 146 | K | 42.5 | Very low | 37.8 | Very low | 204 Ų | 204 | 159.7 Ų | 159.7 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | | | trans | -64.5 | 137.6 | -173.4 | -64 | 171 | 176.4 | 178.4 | 0 | 110.4 | | |
| 147 | G | 33.3 | Very low | 37.6 | Very low | 74 Ų | 74 | 154.7 Ų | 154.7 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | | | trans | -74.2 | 159.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 148 | T | 33.3 | Very low | 37.8 | Very low | 137 Ų | 137 | 156.8 Ų | 156.8 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | | | trans | -132 | 116.8 | 172.6 | 48.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 149 | S | 36.8 | Very low | 38 | Very low | 115 Ų | 115 | 155.6 Ų | 155.6 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -77.9 | 140.1 | 175 | 44.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 150 | Y | 31.2 | Very low | 38.1 | Very low | 220 Ų | 220 | 157.7 Ų | 157.7 | 86% | 0.863 | 79% | 0.789 | S | S | * | * | | | trans | -147 | 161.6 | 157.3 | -119.5 | -83.2 | 0 | 0 | 0 | 111.6 | | |
| 151 | Q | 33.1 | Very low | 38.4 | Very low | 157 Ų | 157 | 162.3 Ų | 162.3 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | trans | -69.6 | 139.7 | -155 | -63.1 | -178 | -82.3 | 0 | 0 | 116.8 | | |
| 152 | D | 34.4 | Very low | 38.3 | Very low | 120 Ų | 120 | 158.8 Ų | 158.8 | 64% | 0.642 | 80% | 0.797 | S | S | * | * | | | | 13.9 | 114.6 | 114.2 | 169.9 | 37 | 0 | 0 | 0 | 117.1 | | |
| 153 | K | 37.7 | Very low | 38.3 | Very low | 197 Ų | 197 | 157.7 Ų | 157.7 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | | | trans | -150.6 | 124.7 | 137.9 | -68.1 | -160.2 | 178.1 | -172.2 | 0 | 110.6 | | |
| 154 | F | 38.1 | Very low | 38.9 | Very low | 192 Ų | 192 | 156.6 Ų | 156.6 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | | | trans | -79.7 | 161.9 | 150.7 | -72.7 | -86.8 | 0 | 0 | 0 | 110 | | |
| 155 | P | 45.3 | Very low | 38.5 | Very low | 126 Ų | 126 | 157.9 Ų | 157.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | | -134.7 | 151.2 | 103.6 | 37.8 | -29.5 | 0 | 0 | 0 | 114.8 | | |
| 156 | N | 32.1 | Very low | 38.9 | Very low | 139 Ų | 139 | 154.7 Ų | 154.7 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | -65.2 | 133.3 | 161.9 | 164.2 | 15.7 | 0 | 0 | 0 | 110.8 | E158 | N156-E158 PolarHBondContact OD1-N 3.15Å; N156-E158 VanDerWaalsContact OD1-N 3.13Å |
| 157 | E | 39.3 | Very low | 39.2 | Very low | 143 Ų | 143 | 152.3 Ų | 152.3 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | | | trans | -146.5 | 100.4 | 142.3 | -145.3 | -178.7 | 177.4 | 0 | 0 | 112.8 | R159 | E157-R159 HydrophobicContact CG-CG 4.39Å; E157-R159 PolarHBondContact O-N 3.08Å; E157-R159 WeakPolarHBondContact OE1-CD 3.43Å; E157-R159 IonicContact OE1-CZ 2.7Å; E157-R159 IonicContact OE1-NE 3.59Å; E157-R159 IonicContact OE1-NH1 3.69Å; E157-R159 PolarHBondContact OE1-NH1 2.65Å |
| 158 | E | 44.3 | Very low | 39.8 | Very low | 181 Ų | 181 | 156 Ų | 156 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | trans | -84.1 | 95.7 | 168.8 | -178.1 | -177.1 | -151.5 | 0 | 0 | 110.5 | N156 | N156-E158 PolarHBondContact OD1-N 3.15Å; N156-E158 VanDerWaalsContact OD1-N 3.13Å |
| 159 | R | 39.1 | Very low | 40.3 | Very low | 198 Ų | 198 | 158.6 Ų | 158.6 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | | | trans | -144.9 | 106.5 | 173.8 | -75.5 | -167.6 | 170.3 | 137.7 | -3.6 | 115.3 | E157 | E157-R159 HydrophobicContact CG-CG 4.39Å; E157-R159 PolarHBondContact O-N 3.08Å; E157-R159 WeakPolarHBondContact OE1-CD 3.43Å; E157-R159 IonicContact OE1-CZ 2.7Å; E157-R159 IonicContact OE1-NE 3.59Å; E157-R159 IonicContact OE1-NH1 3.69Å; E157-R159 PolarHBondContact OE1-NH1 2.65Å |
| 160 | K | 37.2 | Very low | 40.7 | Very low | 184 Ų | 184 | 158.3 Ų | 158.3 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | | | trans | 58.9 | 117.9 | 144.2 | -62.6 | -156.7 | 169.5 | -154.3 | 0 | 121 | | |
| 161 | D | 43.7 | Very low | 41.7 | Very low | 161 Ų | 161 | 157.2 Ų | 157.2 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | | | | 38.4 | 85.2 | 123.9 | -48.6 | -52.9 | 0 | 0 | 0 | 117 | | |
| 162 | G | 36.2 | Very low | 42.5 | Very low | 70 Ų | 70 | 157.8 Ų | 157.8 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | trans | -146.2 | 46.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 163 | K | 39.6 | Very low | 43.6 | Very low | 165 Ų | 165 | 158.4 Ų | 158.4 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | | | trans | 61.4 | 113.3 | 151.8 | -164.3 | 179.7 | -176.9 | -179.5 | 0 | 119.5 | D165 | K163-D165 PolarHBondContact O-N 2.83Š|
| 164 | D | 52.7 | Low | 44.5 | Very low | 135 Ų | 135 | 158.2 Ų | 158.2 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | trans | 19.4 | 48 | 147.6 | 33.3 | -75.7 | 0 | 0 | 0 | 122 | K166 | D164-K166 PolarHBondContact O-N 2.82Š|
| 165 | D | 41.4 | Very low | 45.3 | Very low | 153 Ų | 153 | 154.5 Ų | 154.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -69.7 | 77 | 165.1 | -93.6 | -26 | 0 | 0 | 0 | 111.9 | K163 L167 | K163-D165 PolarHBondContact O-N 2.83Å; D165-L167 PolarHBondContact O-N 3.22Å; D165-L167 VanDerWaalsContact O-N 3.16Å |
| 166 | K | 45.6 | Very low | 45.4 | Very low | 178 Ų | 178 | 153.9 Ų | 153.9 | 77% | 0.774 | 78% | 0.777 | S | S | * | * | | | trans | -61.6 | 112.7 | 160.7 | -74.3 | -172.7 | 175.7 | -173.9 | 0 | 108.4 | D164 N168 | D164-K166 PolarHBondContact O-N 2.82Å; K166-N168 PolarHBondContact O-N 3.42Å; K166-N168 PolarHBondContact O-ND2 2.87Å; K166-N168 VanDerWaalsContact O-ND2 3.11Å |
| 167 | L | 49.4 | Very low | 46.3 | Very low | 153 Ų | 153 | 155.6 Ų | 155.6 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | | | trans | -62.1 | 103.1 | 171.5 | -69.5 | 177.1 | 0 | 0 | 0 | 109.6 | D165 F169 | D165-L167 PolarHBondContact O-N 3.22Å; D165-L167 VanDerWaalsContact O-N 3.16Å; L167-F169 VanDerWaalsContact C-N 3.27Å; L167-F169 PolarHBondContact O-N 3.36Å |
| 168 | N | 44.9 | Very low | 46.4 | Very low | 151 Ų | 151 | 155.8 Ų | 155.8 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | | | trans | -69.8 | 83.3 | 176.3 | -65.8 | -80.9 | 0 | 0 | 0 | 109.6 | K166 V170 | K166-N168 PolarHBondContact O-N 3.42Å; K166-N168 PolarHBondContact O-ND2 2.87Å; K166-N168 VanDerWaalsContact O-ND2 3.11Å; N168-V170 PolarHBondContact O-N 2.8Å |
| 169 | F | 43.7 | Very low | 47.1 | Very low | 193 Ų | 193 | 152 Ų | 152 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | | | trans | -64.3 | 130.9 | 154 | -95.3 | -86.1 | 0 | 0 | 0 | 108.2 | L167 E171 | L167-F169 VanDerWaalsContact C-N 3.27Å; L167-F169 PolarHBondContact O-N 3.36Å; F169-E171 PolarHBondContact O-N 3.24Å |
| 170 | V | 44.8 | Very low | 47.2 | Very low | 108 Ų | 108 | 150.7 Ų | 150.7 | 66% | 0.655 | 79% | 0.785 | S | S | * | * | | | trans | -71.1 | 97.6 | -177.4 | 171.6 | 0 | 0 | 0 | 0 | 108.6 | N168 E172 | N168-V170 PolarHBondContact O-N 2.8Å; V170-E172 HydrophobicContact CG1-CB 3.42Å; V170-E172 VanDerWaalsContact CG1-CB 3.42Å; V170-E172 PolarHBondContact O-N 3.34Å; V170-E172 VanDerWaalsContact O-N 3.08Å |
| 171 | E | 52.6 | Low | 47.8 | Very low | 198 Ų | 198 | 147.6 Ų | 147.6 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | | | trans | -81.7 | 67.6 | 167.6 | -168.3 | 166.2 | -146.8 | 0 | 0 | 109.2 | F169 | F169-E171 PolarHBondContact O-N 3.24Š|
| 172 | E | 51.3 | Low | 47.5 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | -142.9 | 115.4 | 179.9 | -159.3 | 175.3 | -142.1 | 0 | 0 | 104.4 | V170 | V170-E172 HydrophobicContact CG1-CB 3.42Å; V170-E172 VanDerWaalsContact CG1-CB 3.42Å; V170-E172 PolarHBondContact O-N 3.34Å; V170-E172 VanDerWaalsContact O-N 3.08Å |
| 173 | D | 57.3 | Low | 47.5 | Very low | 133 Ų | 133 | 146.6 Ų | 146.6 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | S | Bend | cis | -135.7 | 112.1 | 18.4 | 167.8 | 27.3 | 0 | 0 | 0 | 110.9 | | |
| 174 | F | 55.5 | Low | 47.4 | Very low | 193 Ų | 193 | 149 Ų | 149 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | trans | -138.6 | 118.8 | 159.4 | -78.5 | -74 | 0 | 0 | 0 | 108.8 | S176 | F174-S176 PolarHBondContact O-N 3.41Š|
| 175 | P | 54.9 | Low | 46.9 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | | | trans | -72 | 95.3 | 177.2 | 27.8 | -33.5 | 0 | 0 | 0 | 110.2 | L177 | P175-L177 PolarHBondContact O-N 3.02Š|
| 176 | S | 48.4 | Very low | 46.5 | Very low | 112 Ų | 112 | 144.9 Ų | 144.9 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | trans | -67.7 | 97.1 | 179.8 | 43.5 | 0 | 0 | 0 | 0 | 111.4 | F174 N178 | F174-S176 PolarHBondContact O-N 3.41Å; S176-N178 PolarHBondContact O-N 3.43Å |
| 177 | L | 49.6 | Very low | 46.3 | Very low | 175 Ų | 175 | 143 Ų | 143 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | | | trans | -70.5 | 80.2 | 170.2 | -82.6 | 168.5 | 0 | 0 | 0 | 110.6 | P175 | P175-L177 PolarHBondContact O-N 3.02Š|
| 178 | N | 42 | Very low | 45.6 | Very low | 148 Ų | 148 | 144 Ų | 144 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | -127.7 | 113.7 | 162.2 | -124.9 | 8 | 0 | 0 | 0 | 108.9 | S176 | S176-N178 PolarHBondContact O-N 3.43Š|
| 179 | P | 59.1 | Low | 45.5 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 66% | 0.662 | 80% | 0.803 | S | S | * | * | | | trans | -74.9 | 164.6 | 166.5 | 35.7 | -34.7 | 0 | 0 | 0 | 109.8 | | |
| 180 | E | 42.1 | Very low | 45.2 | Very low | 169 Ų | 169 | 146.7 Ų | 146.7 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | | | trans | 68.3 | 148.6 | 170.1 | -49.2 | -163.6 | 117.4 | 0 | 0 | 116.7 | | |
| 181 | T | 49.4 | Very low | 44.9 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 73% | 0.73 | 81% | 0.81 | S | S | * | * | | | cis | -153.1 | 127.4 | -35.7 | 28 | 0 | 0 | 0 | 0 | 107.7 | | |
| 182 | T | 37.6 | Very low | 44 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | | | trans | -164.6 | 130 | 153.9 | -83.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 183 | G | 35.7 | Very low | 43.4 | Very low | 57 Ų | 57 | 140.8 Ų | 140.8 | 59% | 0.588 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 97.3 | 49.6 | 148.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 184 | K | 38.1 | Very low | 42.9 | Very low | 216 Ų | 216 | 139.9 Ų | 139.9 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | | | | -179.3 | 155.4 | 122.2 | -91.5 | 142.2 | -155.9 | 165 | 0 | 112.9 | | |
| 185 | S | 41.5 | Very low | 42.9 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | | | trans | -82.4 | 136.1 | -170.6 | 44.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 186 | G | 33.8 | Very low | 42.2 | Very low | 74 Ų | 74 | 136.7 Ų | 136.7 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | | | trans | -160.1 | 104.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q188 | G186-Q188 PolarHBondContact O-N 2.87Š|
| 187 | T | 40.7 | Very low | 42 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | | | trans | -70.4 | 118.8 | -172.4 | -51.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 188 | Q | 35.4 | Very low | 42.2 | Very low | 173 Ų | 173 | 132 Ų | 132 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | | | trans | -152.3 | 146.3 | 135 | -78.1 | -144.6 | -4 | 0 | 0 | 110.4 | G186 | G186-Q188 PolarHBondContact O-N 2.87Š|
| 189 | M | 42.7 | Very low | 42.6 | Very low | 181 Ų | 181 | 136.7 Ų | 136.7 | 89% | 0.892 | 78% | 0.777 | S | S | * | * | | | trans | -92.6 | 137.5 | 178.9 | -56.1 | -172 | 82.3 | 0 | 0 | 111.3 | | |
| 190 | R | 37.4 | Very low | 42.7 | Very low | 220 Ų | 220 | 137.8 Ų | 137.8 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | | | trans | -151.9 | 145.4 | 155.3 | -151.1 | 163 | -63.2 | -146.7 | 2.5 | 109.6 | V192 | R190-V192 PolarHBondContact O-N 2.98Š|
| 191 | T | 37.6 | Very low | 43 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -65 | 129.1 | 179.7 | 45.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 192 | V | 34.8 | Very low | 43.6 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 130.5 | 167.3 | 175.4 | 0 | 0 | 0 | 0 | 108.7 | R190 | R190-V192 PolarHBondContact O-N 2.98Š|
| 193 | A | 38.1 | Very low | 44.4 | Very low | 77 Ų | 77 | 133 Ų | 133 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 153.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 194 | P | 47.5 | Very low | 45 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 74% | 0.74 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 165.2 | 177.5 | -23 | 34.6 | 0 | 0 | 0 | 113.2 | A196 | P194-A196 VanDerWaalsContact C-N 3.29Å; P194-A196 PolarHBondContact O-N 2.95Å |
| 195 | H | 54.4 | Low | 45.5 | Very low | 183 Ų | 183 | 130.2 Ų | 130.2 | 85% | 0.847 | 75% | 0.75 | S | S | * | * | | | trans | -71.8 | 77.3 | -175.2 | -56.8 | -86.8 | 0 | 0 | 0 | 112.3 | G197 | H195-G197 PolarHBondContact O-N 2.78Å; H195-G197 VanDerWaalsContact O-N 3.08Å |
| 196 | A | 39.9 | Very low | 46.1 | Very low | 56 Ų | 56 | 132.9 Ų | 132.9 | 46% | 0.463 | 75% | 0.745 | S | S | . | * | | | trans | -60.9 | 110.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P194 E200 | P194-A196 VanDerWaalsContact C-N 3.29Å; P194-A196 PolarHBondContact O-N 2.95Å; A196-E200 VanDerWaalsContact CA-OE2 3.31Å; A196-E200 WeakPolarHBondContact CA-OE2 3.19Å; A196-E200 HydrophobicContact CB-CB 4.24Å |
| 197 | G | 45.6 | Very low | 47.1 | Very low | 44 Ų | 44 | 137.5 Ų | 137.5 | 45% | 0.454 | 75% | 0.747 | S | S | . | * | | | trans | -67.6 | 163.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | H195 W199 E200 | H195-G197 PolarHBondContact O-N 2.78Å; H195-G197 VanDerWaalsContact O-N 3.08Å; G197-W199 PolarHBondContact O-N 2.91Å; G197-E200 WeakPolarHBondContact O-CB 3.35Å; G197-E200 PolarHBondContact O-N 2.84Å |
| 198 | V | 52.8 | Low | 47.4 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -19.5 | 179.6 | 176.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 199 | W | 51.1 | Low | 48.2 | Very low | 245 Ų | 245 | 137.5 Ų | 137.5 | 93% | 0.928 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -12.3 | 178.2 | -63.3 | 98.8 | 0 | 0 | 0 | 115.1 | G197 N201 | G197-W199 PolarHBondContact O-N 2.91Å; W199-N201 VanDerWaalsContact C-N 3.25Å; W199-N201 PolarHBondContact O-N 3.33Å |
| 200 | E | 59.6 | Low | 48.5 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 59% | 0.589 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -77.1 | -8.3 | -173.3 | -155.6 | -178.4 | 112.1 | 0 | 0 | 113.7 | A196 G197 P202 | A196-E200 VanDerWaalsContact CA-OE2 3.31Å; A196-E200 WeakPolarHBondContact CA-OE2 3.19Å; A196-E200 HydrophobicContact CB-CB 4.24Å; G197-E200 WeakPolarHBondContact O-CB 3.35Å; G197-E200 PolarHBondContact O-N 2.84Å; E200-P202 WeakPolarHBondContact O-CD 3.38Å |
| 201 | N | 48.8 | Very low | 49.3 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 60% | 0.604 | 74% | 0.74 | S | S | * | * | | | trans | -118.2 | 86.5 | 172 | -91.7 | -97.1 | 0 | 0 | 0 | 111.3 | W199 | W199-N201 VanDerWaalsContact C-N 3.25Å; W199-N201 PolarHBondContact O-N 3.33Å |
| 202 | P | 62.1 | Low | 49.9 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | | | trans | -54.5 | 140.7 | 155.7 | 26.2 | -34.3 | 0 | 0 | 0 | 108.8 | E200 V204 | E200-P202 WeakPolarHBondContact O-CD 3.38Å; P202-V204 PolarHBondContact O-N 3.48Å |
| 203 | P | 55.3 | Low | 51.3 | Low | 129 Ų | 129 | 133.9 Ų | 133.9 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | | | trans | -58.1 | 112.1 | -165.3 | 20.1 | -32.7 | 0 | 0 | 0 | 112.2 | S205 | P203-S205 PolarHBondContact O-N 3.27Š|
| 204 | V | 46.8 | Very low | 52.4 | Low | 96 Ų | 96 | 135.9 Ų | 135.9 | 58% | 0.582 | 74% | 0.738 | S | S | * | * | | | trans | -51.4 | 125.3 | -175.2 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | P202 K206 | P202-V204 PolarHBondContact O-N 3.48Å; V204-K206 HydrophobicContact CG1-CB 4.32Å; V204-K206 HydrophobicContact CG1-CD 4.27Å; V204-K206 HydrophobicContact CG1-CG 4.15Å; V204-K206 PolarHBondContact O-N 3.43Å |
| 205 | S | 50 | Low | 53.1 | Low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | | | trans | -68.7 | 18.6 | -167.5 | 54.8 | 0 | 0 | 0 | 0 | 116.3 | P203 Q207 | P203-S205 PolarHBondContact O-N 3.27Å; S205-Q207 PolarHBondContact O-N 3.22Å |
| 206 | K | 53.6 | Low | 53.1 | Low | 183 Ų | 183 | 137.6 Ų | 137.6 | 80% | 0.796 | 74% | 0.737 | S | S | * | * | | | trans | -96 | 69.5 | -174 | -68.3 | -178.9 | -179.9 | 173.9 | 0 | 112.6 | V204 | V204-K206 HydrophobicContact CG1-CB 4.32Å; V204-K206 HydrophobicContact CG1-CD 4.27Å; V204-K206 HydrophobicContact CG1-CG 4.15Å; V204-K206 PolarHBondContact O-N 3.43Å |
| 207 | Q | 54.5 | Low | 54 | Low | 170 Ų | 170 | 143.1 Ų | 143.1 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | | | trans | 49.4 | 105.1 | 155.6 | -60.5 | -167.8 | -6.7 | 0 | 0 | 119.2 | S205 | S205-Q207 PolarHBondContact O-N 3.22Š|
| 208 | M | 46.4 | Very low | 54.2 | Low | 186 Ų | 186 | 146.4 Ų | 146.4 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | | | | -126 | 121.1 | 117.6 | -70.6 | -166.3 | 79.7 | 0 | 0 | 109.1 | S210 | M208-S210 PolarHBondContact O-N 3.45Š|
| 209 | V | 52.6 | Low | 53.8 | Low | 126 Ų | 126 | 142.9 Ų | 142.9 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | | | trans | -74.9 | 74.5 | 171.9 | -76.5 | 0 | 0 | 0 | 0 | 109.9 | K211 | V209-K211 PolarHBondContact O-N 2.94Š|
| 210 | S | 49.3 | Very low | 53.7 | Low | 105 Ų | 105 | 141.4 Ų | 141.4 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | | | trans | -56.1 | 114.4 | 169 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | M208 M212 | M208-S210 PolarHBondContact O-N 3.45Å; S210-M212 PolarHBondContact O-N 3.39Å |
| 211 | K | 54.1 | Low | 53.3 | Low | 189 Ų | 189 | 143.1 Ų | 143.1 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | | | trans | -75.8 | 67.9 | 179.5 | -69.2 | -179.7 | 175.3 | 174.5 | 0 | 109.4 | V209 L213 | V209-K211 PolarHBondContact O-N 2.94Å; K211-L213 WeakPolarHBondContact O-CD1 3.48Å; K211-L213 PolarHBondContact O-N 3.39Å; K211-L213 VanDerWaalsContact O-N 3.13Å |
| 212 | M | 51.1 | Low | 53.2 | Low | 152 Ų | 152 | 144.9 Ų | 144.9 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | | | trans | -58 | 115.2 | 168.3 | -166.8 | -174.2 | -59 | 0 | 0 | 107.4 | S210 V214 | S210-M212 PolarHBondContact O-N 3.39Å; M212-V214 PolarHBondContact O-N 2.79Å |
| 213 | L | 63.8 | Low | 52.3 | Low | 155 Ų | 155 | 145.3 Ų | 145.3 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | trans | -69.5 | 89.1 | 172.2 | -86.7 | 75.2 | 0 | 0 | 0 | 107.4 | K211 I215 | K211-L213 WeakPolarHBondContact O-CD1 3.48Å; K211-L213 PolarHBondContact O-N 3.39Å; K211-L213 VanDerWaalsContact O-N 3.13Å; L213-I215 PolarHBondContact O-N 2.94Å |
| 214 | V | 61.2 | Low | 51.4 | Low | 118 Ų | 118 | 142.2 Ų | 142.2 | 72% | 0.715 | 77% | 0.765 | S | S | * | * | | | trans | -61.4 | 105.1 | 172.7 | -175 | 0 | 0 | 0 | 0 | 106.9 | M212 K216 | M212-V214 PolarHBondContact O-N 2.79Å; V214-K216 PolarHBondContact O-N 3.48Å |
| 215 | I | 61.1 | Low | 51 | Low | 159 Ų | 159 | 144.2 Ų | 144.2 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | | | trans | -69.3 | 83.3 | 170.2 | -57.1 | 178.6 | 0 | 0 | 0 | 106.2 | L213 K217 | L213-I215 PolarHBondContact O-N 2.94Å; I215-K217 VanDerWaalsContact C-N 3.28Å; I215-K217 PolarHBondContact O-N 3.32Å |
| 216 | K | 55.2 | Low | 50.4 | Low | 174 Ų | 174 | 142.9 Ų | 142.9 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | | | trans | -62.4 | 96.4 | 172.1 | -179.9 | 172 | 179.9 | 173.6 | 0 | 106.6 | V214 V218 | V214-K216 PolarHBondContact O-N 3.48Å; K216-V218 VanDerWaalsContact C-N 3.28Å; K216-V218 PolarHBondContact O-N 3.5Å |
| 217 | K | 59.3 | Low | 49.5 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | trans | -60.6 | 96.6 | 172 | -177.3 | -100.1 | 179.7 | 176.4 | 0 | 107.2 | I215 S219 | I215-K217 VanDerWaalsContact C-N 3.28Å; I215-K217 PolarHBondContact O-N 3.32Å; K217-S219 PolarHBondContact O-N 2.97Å |
| 218 | V | 50 | Low | 48.7 | Very low | 112 Ų | 112 | 142 Ų | 142 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | | | trans | -59 | 124.4 | 163 | -70.5 | 0 | 0 | 0 | 0 | 106.7 | K216 K220 | K216-V218 VanDerWaalsContact C-N 3.28Å; K216-V218 PolarHBondContact O-N 3.5Å; V218-K220 PolarHBondContact O-N 3.37Å |
| 219 | S | 43.1 | Very low | 48.2 | Very low | 73 Ų | 73 | 137.7 Ų | 137.7 | 51% | 0.51 | 78% | 0.777 | S | S | . | * | | | trans | -57.4 | 119 | 158.8 | 21 | 0 | 0 | 0 | 0 | 106.2 | K217 E221 | K217-S219 PolarHBondContact O-N 2.97Å; S219-E221 PolarHBondContact O-N 3.14Å |
| 220 | K | 49.3 | Very low | 47.7 | Very low | 214 Ų | 214 | 135 Ų | 135 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | | | trans | -76 | 79.4 | 171.2 | -174.2 | 176.4 | 176.3 | 177.6 | 0 | 107.5 | V218 | V218-K220 PolarHBondContact O-N 3.37Š|
| 221 | E | 52.5 | Low | 47.1 | Very low | 162 Ų | 162 | 140 Ų | 140 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | | | trans | -128.6 | 124.9 | 178.7 | -169.9 | 176.2 | 151.8 | 0 | 0 | 105.8 | S219 | S219-E221 PolarHBondContact O-N 3.14Š|
| 222 | D | 45.8 | Very low | 46.3 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 29.7 | 93.9 | -170.9 | -134.3 | -15.6 | 0 | 0 | 0 | 120.2 | | |
| 223 | A | 44.3 | Very low | 45.4 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | | | trans | -148.6 | 54 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 224 | G | 35.3 | Very low | 43.9 | Very low | 64 Ų | 64 | 132.5 Ų | 132.5 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | | | trans | -99.3 | -26 | -159.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 225 | T | 38.7 | Very low | 42.6 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | | | trans | -148.3 | 86.7 | -164.7 | 29.1 | 0 | 0 | 0 | 0 | 114 | | |
| 226 | A | 38 | Very low | 41.4 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | | | trans | -166.2 | 54.2 | 155 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 227 | F | 34.1 | Very low | 40.6 | Very low | 217 Ų | 217 | 128.7 Ų | 128.7 | 95% | 0.952 | 80% | 0.795 | S | S | * | * | | | trans | -113.1 | 90.3 | 148.2 | -117.1 | -75.2 | 0 | 0 | 0 | 107.5 | A229 | F227-A229 PolarHBondContact O-N 3.29Š|
| 228 | S | 37.3 | Very low | 39.8 | Very low | 119 Ų | 119 | 126 Ų | 126 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | -77 | 91.2 | -177 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 229 | A | 36.8 | Very low | 39.2 | Very low | 95 Ų | 95 | 126.4 Ų | 126.4 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | -76.9 | 116.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | F227 | F227-A229 PolarHBondContact O-N 3.29Š|
| 230 | G | 40.5 | Very low | 38.7 | Very low | 69 Ų | 69 | 130.6 Ų | 130.6 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | | | trans | -82.1 | 124.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 231 | F | 37.3 | Very low | 37.9 | Very low | 211 Ų | 211 | 123 Ų | 123 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | | | trans | -133 | 136.1 | 154.3 | -84.9 | -84.2 | 0 | 0 | 0 | 108.9 | | |
| 232 | A | 37.1 | Very low | 36.8 | Very low | 94 Ų | 94 | 120.7 Ų | 120.7 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | | | trans | -90.7 | 150.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 233 | T | 33 | Very low | 36.5 | Very low | 144 Ų | 144 | 123.2 Ų | 123.2 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | -163.1 | 155.8 | 146.3 | -78 | 0 | 0 | 0 | 0 | 108.4 | | |
| 234 | A | 32.8 | Very low | 36.4 | Very low | 99 Ų | 99 | 122.5 Ų | 122.5 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -60 | 151.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 235 | G | 33.3 | Very low | 36.9 | Very low | 72 Ų | 72 | 124.9 Ų | 124.9 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | trans | -107 | 179.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 236 | T | 35 | Very low | 36.8 | Very low | 150 Ų | 150 | 126 Ų | 126 | 92% | 0.92 | 80% | 0.801 | S | S | * | * | | | trans | -137.3 | 167.1 | 174.7 | 42.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 237 | L | 38.8 | Very low | 36.7 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 141.2 | -162.3 | -171.2 | 76.5 | 0 | 0 | 0 | 113.9 | | |
| 238 | P | 43.1 | Very low | 36.9 | Very low | 117 Ų | 117 | 121 Ų | 121 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 139 | 152.6 | 34.4 | -29.6 | 0 | 0 | 0 | 111.3 | | |
| 239 | T | 37.4 | Very low | 37 | Very low | 120 Ų | 120 | 121 Ų | 121 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 139.1 | -168.4 | 51.1 | 0 | 0 | 0 | 0 | 115 | | |
| 240 | N | 32.6 | Very low | 37 | Very low | 160 Ų | 160 | 121.9 Ų | 121.9 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | | | trans | 18.1 | 125.4 | 138.2 | -166.7 | 14.6 | 0 | 0 | 0 | 118.3 | | |
| 241 | G | 31.5 | Very low | 37.4 | Very low | 55 Ų | 55 | 124.8 Ų | 124.8 | 57% | 0.567 | 80% | 0.798 | S | S | * | * | | | cis | 159 | -149.4 | 1.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 242 | S | 30.1 | Very low | 37.4 | Very low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | 65.3 | 141.4 | -161 | 83.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 243 | K | 38.7 | Very low | 38.5 | Very low | 202 Ų | 202 | 128.6 Ų | 128.6 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | | | cis | -130.2 | 162.6 | 16.1 | -52 | 171.1 | -169.7 | 178.6 | 0 | 109.8 | | |
| 244 | A | 42.7 | Very low | 38.9 | Very low | 94 Ų | 94 | 128 Ų | 128 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | | | trans | -125.7 | -176.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 245 | P | 46.5 | Very low | 39.5 | Very low | 114 Ų | 114 | 131 Ų | 131 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | | | | -128.6 | 174.9 | -69.3 | 39.2 | -26.9 | 0 | 0 | 0 | 112.1 | | |
| 246 | L | 35.5 | Very low | 40.3 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | | | trans | -173.5 | 143 | 148 | -102.5 | 152.9 | 0 | 0 | 0 | 111.7 | | |
| 247 | T | 37.5 | Very low | 40.5 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | | | trans | 33.7 | 116.6 | 158 | -32.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 248 | G | 38 | Very low | 40.7 | Very low | 75 Ų | 75 | 134.6 Ų | 134.6 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | cis | 93 | 123.6 | 46 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 249 | S | 38.9 | Very low | 40.6 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | cis | -143.9 | 166.8 | 8.2 | 63.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 250 | S | 36.7 | Very low | 40.3 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | trans | -134.8 | 135.5 | 176 | -178.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 251 | V | 49.5 | Very low | 40.6 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | | | trans | -125.1 | 118 | -178.6 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 252 | Y | 37.8 | Very low | 40.9 | Very low | 194 Ų | 194 | 135.2 Ų | 135.2 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | | | trans | -62.8 | 139.1 | 177.8 | -103.4 | -116.3 | 0 | 0 | 0 | 112.8 | | |
| 253 | K | 58.7 | Low | 41.4 | Very low | 192 Ų | 192 | 134.9 Ų | 134.9 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | -162.8 | 110.5 | 139.3 | 49.4 | -163.6 | 176.9 | -169.5 | 0 | 111 | | |
| 254 | N | 41.6 | Very low | 41.1 | Very low | 130 Ų | 130 | 132 Ų | 132 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | | | trans | -76.7 | 133.9 | 175.3 | -62 | -54.7 | 0 | 0 | 0 | 110 | | |
| 255 | L | 45.7 | Very low | 41.1 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | | | trans | -122.3 | 114 | 166 | -71.4 | 178.2 | 0 | 0 | 0 | 109 | | |
| 256 | V | 49.6 | Very low | 40.5 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 124.4 | -179.3 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | K258 | V256-K258 PolarHBondContact O-N 2.75Š|
| 257 | P | 39.3 | Very low | 40.4 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 124.7 | 172.5 | -20.9 | 33.6 | 0 | 0 | 0 | 111 | | |
| 258 | K | 43.6 | Very low | 40 | Very low | 197 Ų | 197 | 138 Ų | 138 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 121.9 | 179.3 | -159.1 | 174.8 | -171.8 | 177.6 | 0 | 109 | V256 | V256-K258 PolarHBondContact O-N 2.75Š|
| 259 | P | 40.8 | Very low | 39.7 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 140.4 | 179.9 | 29.9 | -34 | 0 | 0 | 0 | 110.9 | | |
| 260 | A | 32.2 | Very low | 39.8 | Very low | 99 Ų | 99 | 149 Ų | 149 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -140.3 | 148.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 261 | V | 37.6 | Very low | 39.8 | Very low | 143 Ų | 143 | 147.9 Ų | 147.9 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | | | trans | -86.9 | 142.2 | -171.7 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 262 | A | 37.5 | Very low | 39 | Very low | 95 Ų | 95 | 145.7 Ų | 145.7 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | | | trans | -98.8 | 137.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 263 | P | 42.3 | Very low | 38.6 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 69% | 0.688 | 81% | 0.809 | S | S | * | * | | | trans | -133.9 | 154.5 | 150.5 | 37.5 | -25.8 | 0 | 0 | 0 | 114.5 | | |
| 264 | T | 31.4 | Very low | 37.8 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | | | trans | 68.1 | 138.5 | 155.9 | 44.6 | 0 | 0 | 0 | 0 | 120.7 | | |
| 265 | K | 42.1 | Very low | 37.7 | Very low | 204 Ų | 204 | 141.7 Ų | 141.7 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | | | trans | -87.5 | 158.8 | -176.7 | -53.6 | 162.7 | -179.5 | 173.9 | 0 | 111.1 | | |
| 266 | S | 34.8 | Very low | 37.6 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | | | trans | -140 | 158.5 | 146.7 | 64.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 267 | T | 33.2 | Very low | 37 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | | | trans | -125.6 | 127.8 | -172.3 | -64.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 268 | Q | 29.5 | Very low | 37 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | | | trans | -160.2 | 127.1 | 147 | -155.4 | 160 | -105.3 | 0 | 0 | 112.9 | K270 | Q268-K270 HydrophobicContact CG-CG 4.43Š|
| 269 | W | 30.9 | Very low | 36.6 | Very low | 253 Ų | 253 | 140.1 Ų | 140.1 | 96% | 0.958 | 80% | 0.802 | S | S | * | * | | | trans | -129.8 | 146.1 | 154.5 | -84.2 | 84.2 | 0 | 0 | 0 | 108.4 | | |
| 270 | K | 41.8 | Very low | 36.1 | Very low | 172 Ų | 172 | 137.2 Ų | 137.2 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | -142.7 | 150.2 | -177.6 | -83.7 | -93.8 | -167.6 | 172.2 | 0 | 106.2 | Q268 | Q268-K270 HydrophobicContact CG-CG 4.43Š|
| 271 | A | 37.1 | Very low | 36.5 | Very low | 91 Ų | 91 | 141 Ų | 141 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | cis | -165.2 | 168.6 | -9.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 272 | G | 31.3 | Very low | 36.4 | Very low | 82 Ų | 82 | 142.6 Ų | 142.6 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | 109.5 | 126.9 | 151.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 273 | G | 29.2 | Very low | 36.4 | Very low | 67 Ų | 67 | 146.2 Ų | 146.2 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | cis | 164.4 | 178.8 | -8.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 274 | R | 42.8 | Very low | 36.8 | Very low | 223 Ų | 223 | 147.3 Ų | 147.3 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | | | trans | 68.6 | 140.6 | 160.6 | 95.5 | 174.6 | -141.4 | -90.6 | -2.2 | 116.5 | | |
| 275 | E | 38.8 | Very low | 36.7 | Very low | 143 Ų | 143 | 143.5 Ų | 143.5 | 67% | 0.668 | 80% | 0.797 | S | S | * | * | | | cis | -146.9 | 127.6 | 2.2 | -63.3 | 171.1 | -126.5 | 0 | 0 | 108.3 | | |
| 276 | I | 43.2 | Very low | 36.5 | Very low | 152 Ų | 152 | 144.4 Ų | 144.4 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | | | | 64.8 | 108.1 | 93.9 | -56.1 | 162.4 | 0 | 0 | 0 | 117.2 | | |
| 277 | T | 36.8 | Very low | 36.3 | Very low | 116 Ų | 116 | 144.7 Ų | 144.7 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | | | | -167.3 | 126.2 | 127.5 | 24.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 278 | K | 41.2 | Very low | 36.7 | Very low | 189 Ų | 189 | 143.2 Ų | 143.2 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | trans | 33.4 | 142.9 | 134.8 | -53 | 166.7 | -172.5 | 173.7 | 0 | 120.1 | | |
| 279 | S | 33.7 | Very low | 36.9 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | | | cis | 173 | 158.9 | -10.9 | 46.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 280 | G | 31.8 | Very low | 37.2 | Very low | 67 Ų | 67 | 138.8 Ų | 138.8 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | | | cis | 155.7 | 134.6 | -4.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 281 | L | 39.7 | Very low | 36.9 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 94% | 0.937 | 79% | 0.785 | S | S | * | * | | | trans | 68.5 | 125.3 | 178.7 | -51.6 | 176.1 | 0 | 0 | 0 | 116.3 | | |
| 282 | H | 35 | Very low | 36.5 | Very low | 175 Ų | 175 | 138.5 Ų | 138.5 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | | -158.9 | 175.2 | 65.9 | 70.4 | -81.1 | 0 | 0 | 0 | 114.5 | | |
| 283 | M | 37.9 | Very low | 37.8 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | | | trans | -146.9 | 158.7 | 169.2 | -80 | -70.9 | 174.9 | 0 | 0 | 105.8 | | |
| 284 | P | 50.2 | Low | 37.9 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | | | cis | -135.8 | -171.1 | 40.8 | 36.6 | -14.8 | 0 | 0 | 0 | 113.6 | | |
| 285 | G | 30.4 | Very low | 37.6 | Very low | 61 Ų | 61 | 137.1 Ų | 137.1 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | | | cis | 154.5 | -160.4 | -5.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 286 | R | 36.6 | Very low | 37.3 | Very low | 223 Ų | 223 | 135.2 Ų | 135.2 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | | | trans | 81.4 | 114.6 | -179.4 | -45.6 | -157.3 | 74.7 | 155.1 | 7.6 | 114.8 | | |
| 287 | D | 32.4 | Very low | 36.7 | Very low | 130 Ų | 130 | 133 Ų | 133 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | | | | 95.1 | 135.1 | 76.5 | -65.2 | -16 | 0 | 0 | 0 | 110.1 | | |
| 288 | S | 39.7 | Very low | 36.5 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | cis | -160.2 | 147.3 | -6.2 | -172.9 | 0 | 0 | 0 | 0 | 113 | | |
| 289 | V | 34.6 | Very low | 36.8 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | | | trans | 16.7 | 128.7 | 150.8 | -172.9 | 0 | 0 | 0 | 0 | 122.4 | | |
| 290 | F | 38 | Very low | 36.6 | Very low | 193 Ų | 193 | 133.3 Ų | 133.3 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | 6.5 | 138.9 | 142.3 | -98.2 | -109.1 | 0 | 0 | 0 | 120.8 | | |
| 291 | T | 34.1 | Very low | 36.8 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 91% | 0.908 | 80% | 0.801 | S | S | * | * | | | trans | -168.1 | 162.2 | 131 | 22.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 292 | S | 29.3 | Very low | 37.2 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | trans | -163.9 | 164.5 | 173.3 | -172.6 | 0 | 0 | 0 | 0 | 106.5 | | |
| 293 | P | 59.1 | Low | 37 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | | | cis | -129.7 | -153.3 | -1.5 | 22.6 | 4.7 | 0 | 0 | 0 | 112.9 | | |
| 294 | V | 30.7 | Very low | 36.6 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | trans | 117.3 | 118.4 | 142.9 | 176.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 295 | S | 36.2 | Very low | 35.8 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | 42.8 | 110 | 145.3 | -57.8 | 0 | 0 | 0 | 0 | 126 | | |
| 296 | A | 32.3 | Very low | 36.4 | Very low | 104 Ų | 104 | 129 Ų | 129 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | | 50.5 | 131.6 | 109.6 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 297 | A | 30.1 | Very low | 36.2 | Very low | 104 Ų | 104 | 127 Ų | 127 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -153.7 | 152.4 | 147.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 298 | K | 33.4 | Very low | 36.2 | Very low | 201 Ų | 201 | 127.6 Ų | 127.6 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -123.6 | -176 | 164 | -95.8 | -175.4 | 178.9 | 179.3 | 0 | 106.4 | | |
| 299 | P | 47.3 | Very low | 35.7 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | cis | -139.6 | -179.2 | 8 | 44.1 | -27 | 0 | 0 | 0 | 116.3 | | |
| 300 | S | 30.4 | Very low | 35.6 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -170.9 | 135.7 | 134.6 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 301 | T | 34.4 | Very low | 35.3 | Very low | 135 Ų | 135 | 127.2 Ų | 127.2 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | | | trans | -134.6 | 172.5 | 162.5 | 61.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 302 | P | 48.8 | Very low | 35.2 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | | | | -153.7 | -161.8 | 87.7 | 38.3 | -16.3 | 0 | 0 | 0 | 114.6 | | |
| 303 | V | 30.6 | Very low | 35.6 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | | | trans | 77 | 119.4 | 176.5 | -173.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 304 | S | 30.7 | Very low | 34.8 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | cis | -156.8 | -177.4 | -10.7 | -158.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 305 | A | 32.5 | Very low | 35.4 | Very low | 80 Ų | 80 | 134.8 Ų | 134.8 | 66% | 0.661 | 78% | 0.779 | S | S | * | * | | | trans | -129.8 | -175.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 306 | P | 43.1 | Very low | 35.4 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | | | cis | -114.4 | -172.1 | 44 | 4.1 | 22.1 | 0 | 0 | 0 | 112.1 | | |
| 307 | Q | 32.7 | Very low | 35.6 | Very low | 180 Ų | 180 | 136.4 Ų | 136.4 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | | | cis | -174 | 175.6 | -24.4 | -104.6 | 177.2 | -1.1 | 0 | 0 | 105.9 | | |
| 308 | H | 32.2 | Very low | 36.6 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 67% | 0.667 | 78% | 0.78 | S | S | * | * | | | cis | -153.1 | 139.9 | 1.6 | -172.3 | -147.2 | 0 | 0 | 0 | 108.6 | | |
| 309 | N | 28.8 | Very low | 37.3 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 68% | 0.684 | 78% | 0.775 | S | S | * | * | | | trans | 51.4 | 144.7 | 154.1 | -80.6 | 5 | 0 | 0 | 0 | 121.8 | | |
| 310 | T | 33.4 | Very low | 37.9 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 66% | 0.663 | 77% | 0.771 | S | S | * | * | | | cis | -141.7 | 140.8 | 8.9 | 45 | 0 | 0 | 0 | 0 | 113.7 | | |
| 311 | Q | 30.3 | Very low | 38.8 | Very low | 178 Ų | 178 | 134 Ų | 134 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | trans | 60.3 | 132.5 | 141.2 | -62 | -176.3 | 21.3 | 0 | 0 | 123.3 | | |
| 312 | K | 32.3 | Very low | 39.5 | Very low | 197 Ų | 197 | 134.9 Ų | 134.9 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | | | trans | 75.1 | 80.4 | 146.1 | -109.8 | 175.2 | 178.7 | 177.8 | 0 | 121 | | |
| 313 | E | 37.4 | Very low | 39.7 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | 16.4 | 119.9 | 130.3 | -175.2 | 173.2 | -144.2 | 0 | 0 | 120 | | |
| 314 | H | 42.8 | Very low | 40.9 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | | | | -165.9 | 164.2 | 123.7 | -100.8 | -51 | 0 | 0 | 0 | 110.1 | | |
| 315 | P | 44.6 | Very low | 41.8 | Very low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | trans | -77.4 | 153.9 | -161.5 | 30.1 | -36.8 | 0 | 0 | 0 | 115.1 | S317 | P315-S317 PolarHBondContact O-N 2.88Š|
| 316 | S | 34.2 | Very low | 42.6 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | | | trans | -61.2 | 126.4 | 174.7 | -51.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 317 | S | 36.4 | Very low | 42.6 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | | | trans | -110.4 | 148.9 | 159.5 | -171 | 0 | 0 | 0 | 0 | 109.5 | P315 | P315-S317 PolarHBondContact O-N 2.88Š|
| 318 | T | 52.4 | Low | 43.8 | Very low | 128 Ų | 128 | 140 Ų | 140 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -84.9 | 118.3 | -174.8 | 179.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 319 | T | 48 | Very low | 44.8 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | | | trans | 178.5 | 141.7 | 146.9 | 16.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 320 | P | 60.5 | Low | 46.3 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | | | trans | -75.5 | 144.2 | 170.5 | 31.8 | -33.6 | 0 | 0 | 0 | 110.9 | I322 | P320-I322 PolarHBondContact O-N 3.18Š|
| 321 | P | 48.5 | Very low | 47.3 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | | | trans | -68.8 | 124.1 | 172.8 | 28.7 | -33.1 | 0 | 0 | 0 | 110.2 | D323 | P321-D323 PolarHBondContact O-N 2.93Š|
| 322 | I | 49.2 | Very low | 48.4 | Very low | 152 Ų | 152 | 145.6 Ų | 145.6 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | | | trans | -82.5 | 110.7 | 173.6 | -65.1 | 176.6 | 0 | 0 | 0 | 108.6 | P320 I324 | P320-I322 PolarHBondContact O-N 3.18Å; I322-I324 PolarHBondContact O-N 3.46Å |
| 323 | D | 54.1 | Low | 49.6 | Very low | 153 Ų | 153 | 148 Ų | 148 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -75.2 | 111.1 | 178.6 | -149.5 | -7.3 | 0 | 0 | 0 | 110 | P321 A325 | P321-D323 PolarHBondContact O-N 2.93Å; D323-A325 PolarHBondContact O-N 2.9Å |
| 324 | I | 54.1 | Low | 50.9 | Low | 155 Ų | 155 | 151.6 Ų | 151.6 | 80% | 0.795 | 80% | 0.804 | S | S | * | * | | | trans | -83.7 | 63.2 | -173.5 | -47.3 | -177.8 | 0 | 0 | 0 | 110.4 | I322 | I322-I324 PolarHBondContact O-N 3.46Š|
| 325 | A | 50.2 | Low | 52 | Low | 76 Ų | 76 | 146.1 Ų | 146.1 | 63% | 0.628 | 79% | 0.794 | S | S | * | * | | | trans | -71.1 | 127.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | D323 S327 | D323-A325 PolarHBondContact O-N 2.9Å; A325-S327 PolarHBondContact O-N 3.04Å |
| 326 | P | 48.6 | Very low | 52.9 | Low | 121 Ų | 121 | 146.9 Ų | 146.9 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | | | trans | -71.6 | 91.7 | -179.4 | 28.2 | -34.3 | 0 | 0 | 0 | 110.9 | R328 | P326-R328 PolarHBondContact O-N 3.21Å; P326-R328 VanDerWaalsContact O-N 3.11Å |
| 327 | S | 43.7 | Very low | 54.1 | Low | 94 Ų | 94 | 145.2 Ų | 145.2 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | | | trans | -55.3 | 115.3 | 177.6 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | A325 L329 | A325-S327 PolarHBondContact O-N 3.04Å; S327-L329 PolarHBondContact O-N 3.39Å |
| 328 | R | 58.6 | Low | 55.7 | Low | 245 Ų | 245 | 149.4 Ų | 149.4 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | | | trans | -75.3 | 70.1 | 177.7 | -75.3 | -175.2 | 165.1 | -162.4 | -3.3 | 110.6 | P326 K330 | P326-R328 PolarHBondContact O-N 3.21Å; P326-R328 VanDerWaalsContact O-N 3.11Å; R328-K330 PolarHBondContact O-N 3.2Å |
| 329 | L | 52.9 | Low | 56.6 | Low | 153 Ų | 153 | 150.4 Ų | 150.4 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | | | trans | -59.4 | 107.9 | 174 | -67.1 | -178.1 | 0 | 0 | 0 | 109.7 | S327 L331 | S327-L329 PolarHBondContact O-N 3.39Å; L329-L331 PolarHBondContact O-N 2.92Å |
| 330 | K | 60.2 | Low | 57.7 | Low | 191 Ų | 191 | 147.7 Ų | 147.7 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | | | trans | -71.5 | 91.2 | -175.1 | -174.7 | -178.1 | -177 | -179.7 | 0 | 109.1 | R328 M332 | R328-K330 PolarHBondContact O-N 3.2Å; K330-M332 PolarHBondContact O-N 3.07Å |
| 331 | L | 53.5 | Low | 58.5 | Low | 165 Ų | 165 | 148.5 Ų | 148.5 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | | | trans | -52.9 | 101.3 | -179.8 | -171.8 | 77.8 | 0 | 0 | 0 | 110.4 | L329 R333 | L329-L331 PolarHBondContact O-N 2.92Å; L331-R333 PolarHBondContact O-N 3.42Å |
| 332 | M | 54.8 | Low | 60.1 | Low | 166 Ų | 166 | 148.7 Ų | 148.7 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | | | trans | -65.4 | 123 | 174.4 | -69.3 | 179.2 | 67.1 | 0 | 0 | 107.6 | K330 R334 | K330-M332 PolarHBondContact O-N 3.07Å; M332-R334 PolarHBondContact O-N 3.17Å |
| 333 | R | 57.8 | Low | 61.7 | Low | 247 Ų | 247 | 147 Ų | 147 | 93% | 0.932 | 73% | 0.732 | S | S | * | * | | | trans | -57.4 | 110.4 | 172.3 | -79.5 | -173.2 | -84.6 | -166.3 | -5.3 | 107.5 | L331 | L331-R333 PolarHBondContact O-N 3.42Š|
| 334 | R | 64.1 | Low | 62.9 | Low | 245 Ų | 245 | 149.1 Ų | 149.1 | 93% | 0.925 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 143.2 | 168.4 | -71.5 | -171.6 | 174 | -166.7 | -2.1 | 107.9 | M332 | M332-R334 PolarHBondContact O-N 3.17Š|
| 335 | G | 66.1 | Low | 63.9 | Low | 57 Ų | 57 | 145.6 Ų | 145.6 | 59% | 0.588 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 171 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | D337 | G335-D337 PolarHBondContact O-N 3.38Š|
| 336 | P | 62.7 | Low | 64.8 | Low | 130 Ų | 130 | 147.1 Ų | 147.1 | 84% | 0.844 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -51.3 | 132.4 | 174.8 | 23.9 | -34 | 0 | 0 | 0 | 109.9 | R338 | P336-R338 PolarHBondContact O-N 3.06Å; P336-R338 VanDerWaalsContact O-N 3.13Å |
| 337 | D | 60.3 | Low | 66.3 | Low | 95 Ų | 95 | 149.2 Ų | 149.2 | 51% | 0.508 | 71% | 0.708 | S | S | . | * | | | trans | -67.9 | 113.9 | -172.8 | -172.4 | -2.2 | 0 | 0 | 0 | 110 | G335 K339 S340 | G335-D337 PolarHBondContact O-N 3.38Å; D337-K339 PolarHBondContact O-N 3.12Å; D337-K339 VanDerWaalsContact O-N 3.08Å; D337-K339 WeakPolarHBondContact OD1-CB 3.38Å; D337-K339 VanDerWaalsContact OD1-CG 3.28Å; D337-K339 WeakPolarHBondContact OD1-CG 3.07Å; D337-K339 PolarHBondContact OD1-N 3Å; D337-S340 VanDerWaalsContact O-CB 3.29Å; D337-S340 WeakPolarHBondContact O-CB 3.31Å; D337-S340 PolarHBondContact O-N 2.99Å; D337-S340 PolarHBondContact O-OG 3.47Å |
| 338 | R | 69 | Low | 67.4 | Low | 203 Ų | 203 | 151.2 Ų | 151.2 | 77% | 0.766 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -22 | 175.9 | -80.8 | -179.2 | 160.6 | 177.7 | -7.1 | 112.8 | P336 S340 E341 F342 | P336-R338 PolarHBondContact O-N 3.06Å; P336-R338 VanDerWaalsContact O-N 3.13Å; R338-S340 PolarHBondContact O-N 2.96Å; R338-E341 WeakPolarHBondContact O-CB 3.28Å; R338-E341 PolarHBondContact O-N 2.84Å; R338-E341 VanDerWaalsContact O-N 3.12Å; R338-F342 PolarHBondContact O-N 3.11Å |
| 339 | K | 70.9 | Confident | 67.5 | Low | 149 Ų | 149 | 147.4 Ų | 147.4 | 65% | 0.648 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -62.1 | -28.2 | 171.6 | -60.6 | 178.5 | -178.8 | -163.8 | 0 | 112.3 | D337 L343 | D337-K339 PolarHBondContact O-N 3.12Å; D337-K339 VanDerWaalsContact O-N 3.08Å; D337-K339 WeakPolarHBondContact OD1-CB 3.38Å; D337-K339 VanDerWaalsContact OD1-CG 3.28Å; D337-K339 WeakPolarHBondContact OD1-CG 3.07Å; D337-K339 PolarHBondContact OD1-N 3Å; K339-L343 WeakPolarHBondContact O-CB 3.45Å; K339-L343 VanDerWaalsContact O-CG 3.23Å; K339-L343 WeakPolarHBondContact O-CG 3.42Å; K339-L343 PolarHBondContact O-N 3.32Å |
| 340 | S | 72.8 | Confident | 67.6 | Low | 68 Ų | 68 | 143.2 Ų | 143.2 | 48% | 0.476 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -74.7 | -23.1 | 175.7 | 71 | 0 | 0 | 0 | 0 | 113.7 | D337 R338 R344 | D337-S340 VanDerWaalsContact O-CB 3.29Å; D337-S340 WeakPolarHBondContact O-CB 3.31Å; D337-S340 PolarHBondContact O-N 2.99Å; D337-S340 PolarHBondContact O-OG 3.47Å; R338-S340 PolarHBondContact O-N 2.96Å; S340-R344 WeakPolarHBondContact O-CG 3.22Å; S340-R344 PolarHBondContact O-N 3Å |
| 341 | E | 77.3 | Confident | 67.4 | Low | 124 Ų | 124 | 140.3 Ų | 140.3 | 58% | 0.579 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -75.2 | -48.9 | 172.7 | 180 | 175.5 | -150.5 | 0 | 0 | 110.2 | R338 L343 R344 T345 | R338-E341 WeakPolarHBondContact O-CB 3.28Å; R338-E341 PolarHBondContact O-N 2.84Å; R338-E341 VanDerWaalsContact O-N 3.12Å; E341-L343 VanDerWaalsContact C-N 3.34Å; E341-L343 PolarHBondContact O-N 2.71Å; E341-R344 WeakPolarHBondContact O-CA 3.43Å; E341-R344 WeakPolarHBondContact O-CB 3.24Å; E341-R344 PolarHBondContact O-N 3.29Å; E341-T345 PolarHBondContact O-N 3.05Å |
| 342 | F | 81.1 | Confident | 66.8 | Low | 134 Ų | 134 | 136 Ų | 136 | 59% | 0.588 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -61 | -39.3 | 175.1 | -169.9 | -97.4 | 0 | 0 | 0 | 112.8 | R338 R344 T345 L346 | R338-F342 PolarHBondContact O-N 3.11Å; F342-R344 PolarHBondContact O-N 3.28Å; F342-T345 PolarHBondContact O-N 2.79Å; F342-T345 PolarHBondContact O-OG1 3.27Å; F342-L346 WeakPolarHBondContact O-CB 3.46Å; F342-L346 PolarHBondContact O-N 3.02Å; F342-L346 VanDerWaalsContact O-N 3.09Å |
| 343 | L | 82.6 | Confident | 66.2 | Low | 115 Ų | 115 | 136.3 Ų | 136.3 | 60% | 0.602 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -74.8 | -5.2 | 173.4 | -68.6 | 173.1 | 0 | 0 | 0 | 114.1 | K339 E341 | K339-L343 WeakPolarHBondContact O-CB 3.45Å; K339-L343 VanDerWaalsContact O-CG 3.23Å; K339-L343 WeakPolarHBondContact O-CG 3.42Å; K339-L343 PolarHBondContact O-N 3.32Å; E341-L343 VanDerWaalsContact C-N 3.34Å; E341-L343 PolarHBondContact O-N 2.71Å |
| 344 | R | 79.1 | Confident | 65.6 | Low | 199 Ų | 199 | 132.5 Ų | 132.5 | 75% | 0.751 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -90 | -48.6 | 167.8 | -76 | -79.4 | 179.3 | 113.5 | 1.7 | 110.6 | S340 E341 F342 L346 K347 D348 | S340-R344 WeakPolarHBondContact O-CG 3.22Å; S340-R344 PolarHBondContact O-N 3Å; E341-R344 WeakPolarHBondContact O-CA 3.43Å; E341-R344 WeakPolarHBondContact O-CB 3.24Å; E341-R344 PolarHBondContact O-N 3.29Å; F342-R344 PolarHBondContact O-N 3.28Å; R344-L346 PolarHBondContact O-N 2.84Å; R344-K347 PolarHBondContact O-N 2.97Å; R344-D348 PolarHBondContact O-N 2.77Å |
| 345 | T | 75 | Confident | 64.4 | Low | 81 Ų | 81 | 127 Ų | 127 | 50% | 0.497 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -58.8 | -48.3 | 178.3 | 54.8 | 0 | 0 | 0 | 0 | 111.2 | E341 F342 K347 D348 E349 | E341-T345 PolarHBondContact O-N 3.05Å; F342-T345 PolarHBondContact O-N 2.79Å; F342-T345 PolarHBondContact O-OG1 3.27Å; T345-K347 PolarHBondContact O-N 3.34Å; T345-D348 PolarHBondContact O-N 2.69Å; T345-D348 VanDerWaalsContact O-N 3.16Å; T345-E349 PolarHBondContact O-N 2.93Å |
| 346 | L | 70.7 | Confident | 63.1 | Low | 107 Ų | 107 | 130.7 Ų | 130.7 | 56% | 0.56 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -65.3 | -3.5 | 177.7 | -150.5 | 82.4 | 0 | 0 | 0 | 114.4 | F342 R344 | F342-L346 WeakPolarHBondContact O-CB 3.46Å; F342-L346 PolarHBondContact O-N 3.02Å; F342-L346 VanDerWaalsContact O-N 3.09Å; R344-L346 PolarHBondContact O-N 2.84Å |
| 347 | K | 78.6 | Confident | 61.6 | Low | 165 Ų | 165 | 130.3 Ų | 130.3 | 72% | 0.717 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -114.9 | -21.4 | 177.7 | -173.8 | 161.8 | -177 | 165.4 | 0 | 113.3 | R344 T345 | R344-K347 PolarHBondContact O-N 2.97Å; T345-K347 PolarHBondContact O-N 3.34Å |
| 348 | D | 66.3 | Low | 60.3 | Low | 137 Ų | 137 | 131.1 Ų | 131.1 | 73% | 0.733 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -74.9 | -35.1 | 172.8 | -136.2 | 29.6 | 0 | 0 | 0 | 110.7 | R344 T345 G350 T351 | R344-D348 PolarHBondContact O-N 2.77Å; T345-D348 PolarHBondContact O-N 2.69Å; T345-D348 VanDerWaalsContact O-N 3.16Å; D348-G350 PolarHBondContact O-N 3.18Å; D348-T351 PolarHBondContact O-N 2.87Å |
| 349 | E | 61.8 | Low | 58.5 | Low | 164 Ų | 164 | 126.6 Ų | 126.6 | 77% | 0.766 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -13 | 176.5 | -158.9 | 172.1 | 165.7 | 0 | 0 | 113.7 | T345 | T345-E349 PolarHBondContact O-N 2.93Š|
| 350 | G | 56 | Low | 57 | Low | 65 Ų | 65 | 125.9 Ų | 125.9 | 67% | 0.67 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 6.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116 | D348 | D348-G350 PolarHBondContact O-N 3.18Š|
| 351 | T | 54.2 | Low | 55 | Low | 131 Ų | 131 | 125.6 Ų | 125.6 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -145.8 | 28.5 | -177.1 | -41.6 | 0 | 0 | 0 | 0 | 113.9 | D348 | D348-T351 PolarHBondContact O-N 2.87Š|
| 352 | G | 42.5 | Very low | 53 | Low | 73 Ų | 73 | 126 Ų | 126 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | | | trans | -89.6 | 96.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 353 | E | 41 | Very low | 50.8 | Low | 174 Ų | 174 | 125.3 Ų | 125.3 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | | | trans | -68 | 151 | 167.6 | -79.8 | -168 | 135.8 | 0 | 0 | 112.4 | T355 | E353-T355 PolarHBondContact O-N 3.43Å; E353-T355 PolarHBondContact O-OG1 3.5Å |
| 354 | L | 45.5 | Very low | 48.4 | Very low | 167 Ų | 167 | 123.8 Ų | 123.8 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | | | trans | -53.2 | 93.1 | 177.1 | -176.8 | 76.1 | 0 | 0 | 0 | 112.2 | | |
| 355 | T | 38.2 | Very low | 46.3 | Very low | 128 Ų | 128 | 124 Ų | 124 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | -111.4 | 93 | 179 | 34.4 | 0 | 0 | 0 | 0 | 111 | E353 S357 | E353-T355 PolarHBondContact O-N 3.43Å; E353-T355 PolarHBondContact O-OG1 3.5Å; T355-S357 PolarHBondContact O-N 3.17Å |
| 356 | T | 39.4 | Very low | 44.3 | Very low | 136 Ų | 136 | 123 Ų | 123 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | | | trans | -60.5 | 119.1 | 173.7 | 45.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 357 | S | 30.8 | Very low | 42.5 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | | | trans | -144.4 | 143.8 | 161.8 | 61.5 | 0 | 0 | 0 | 0 | 110.1 | T355 | T355-S357 PolarHBondContact O-N 3.17Š|
| 358 | S | 33.9 | Very low | 40.2 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | trans | -122.4 | 131.8 | -156.6 | 56.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 359 | S | 30.6 | Very low | 38.6 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | trans | 66.6 | 148.7 | 156.9 | -141.8 | 0 | 0 | 0 | 0 | 116 | G361 | S359-G361 PolarHBondContact OG-N 3.1Å; S359-G361 VanDerWaalsContact OG-N 3.16Å |
| 360 | P | 39.1 | Very low | 37.3 | Very low | 134 Ų | 134 | 121.6 Ų | 121.6 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | | | | -124.1 | 148.9 | 75.8 | 37.4 | -30.9 | 0 | 0 | 0 | 113.3 | | |
| 361 | G | 31.9 | Very low | 36.4 | Very low | 62 Ų | 62 | 124.5 Ų | 124.5 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | | | trans | -108.9 | 155 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S359 | S359-G361 PolarHBondContact OG-N 3.1Å; S359-G361 VanDerWaalsContact OG-N 3.16Å |
| 362 | T | 34.9 | Very low | 35.4 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | | | trans | -133 | 104.3 | 167.9 | 51.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 363 | S | 34.8 | Very low | 35.1 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | | | trans | 42.3 | 113.4 | 130.1 | 60.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 364 | G | 32.2 | Very low | 35.1 | Very low | 82 Ų | 82 | 125.8 Ų | 125.8 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | -177.1 | 98.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 365 | E | 35.1 | Very low | 34.6 | Very low | 203 Ų | 203 | 124.5 Ų | 124.5 | 95% | 0.949 | 79% | 0.791 | S | S | * | * | | | trans | -87 | 165.8 | 167.6 | -62.5 | 170.3 | 111.3 | 0 | 0 | 109.5 | | |
| 366 | G | 33.8 | Very low | 34.2 | Very low | 62 Ų | 62 | 127.5 Ų | 127.5 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | | | trans | 123.7 | 97.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 367 | E | 31.4 | Very low | 34.4 | Very low | 180 Ų | 180 | 125.1 Ų | 125.1 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | | | trans | 24.9 | 107.4 | 136.8 | 61.7 | -138.6 | 84.3 | 0 | 0 | 123 | | |
| 368 | S | 31 | Very low | 34.6 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | | | | 52.2 | 120.9 | 128.7 | 65.7 | 0 | 0 | 0 | 0 | 122.6 | | |
| 369 | S | 32.3 | Very low | 34.9 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 88% | 0.881 | 78% | 0.777 | S | S | * | * | | | | -157.7 | 137.8 | 117.6 | -94.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 370 | T | 34.8 | Very low | 35.1 | Very low | 128 Ų | 128 | 129 Ų | 129 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | -75.2 | 158.1 | 170.8 | -13.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 371 | P | 36.6 | Very low | 35 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | | | | -134.4 | 159 | 86.5 | 37.4 | -26.2 | 0 | 0 | 0 | 114.8 | | |
| 372 | E | 33.7 | Very low | 35.2 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 58% | 0.584 | 77% | 0.766 | S | S | * | * | | | trans | -81.4 | 159.3 | 172.4 | -136.2 | -176.4 | -133.3 | 0 | 0 | 110.5 | K374 | E372-K374 HydrophobicContact CG-CG 4.28Å; E372-K374 WeakPolarHBondContact OE1-CE 3.31Å; E372-K374 IonicContact OE1-NZ 2.65Å; E372-K374 PolarHBondContact OE1-NZ 3.2Å; E372-K374 WeakPolarHBondContact OE2-CG 3.45Å; E372-K374 IonicContact OE2-NZ 3.96Å; E372-K374 PolarHBondContact OE2-NZ 2.87Å |
| 373 | P | 36.7 | Very low | 35.2 | Very low | 128 Ų | 128 | 135 Ų | 135 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | | | | -139 | 157.5 | 86.5 | 37.1 | -23.6 | 0 | 0 | 0 | 115.3 | | |
| 374 | K | 40.1 | Very low | 35.8 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | | | trans | -85.4 | 139.9 | 176.7 | -55.3 | 174.3 | -179.6 | 69.2 | 0 | 112.5 | E372 | E372-K374 HydrophobicContact CG-CG 4.28Å; E372-K374 WeakPolarHBondContact OE1-CE 3.31Å; E372-K374 IonicContact OE1-NZ 2.65Å; E372-K374 PolarHBondContact OE1-NZ 3.2Å; E372-K374 WeakPolarHBondContact OE2-CG 3.45Å; E372-K374 IonicContact OE2-NZ 3.96Å; E372-K374 PolarHBondContact OE2-NZ 2.87Å |
| 375 | V | 35.4 | Very low | 36 | Very low | 140 Ų | 140 | 136 Ų | 136 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | | | trans | -145.4 | 91.7 | 144.1 | -166.8 | 0 | 0 | 0 | 0 | 105.2 | | |
| 376 | Y | 30.6 | Very low | 36.3 | Very low | 192 Ų | 192 | 133.5 Ų | 133.5 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | | | | 43.3 | 82.8 | 92.8 | -156.7 | -89.9 | 0 | 0 | 0 | 112.1 | | |
| 377 | S | 42 | Very low | 36.4 | Very low | 85 Ų | 85 | 135.6 Ų | 135.6 | 59% | 0.594 | 75% | 0.751 | S | S | * | * | | | | 60.1 | 72.3 | 86.6 | -175.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 378 | E | 35.9 | Very low | 36.9 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 77% | 0.771 | 74% | 0.742 | S | S | * | * | | | trans | -138.5 | 112.5 | 147.5 | -150.8 | 170.8 | 168.4 | 0 | 0 | 110.6 | V380 | E378-V380 VanDerWaalsContact C-N 3.26Å; E378-V380 HydrophobicContact CB-CG2 4.44Å; E378-V380 HydrophobicContact CG-CG2 3.88Å; E378-V380 PolarHBondContact O-N 3.02Å; E378-V380 VanDerWaalsContact O-N 3.09Å |
| 379 | E | 40.1 | Very low | 37.6 | Very low | 183 Ų | 183 | 134.1 Ų | 134.1 | 86% | 0.855 | 74% | 0.738 | S | S | * | * | | | trans | -85.1 | 65.9 | 179.9 | -68.7 | 178.5 | -144.2 | 0 | 0 | 110.1 | C381 | E379-C381 PolarHBondContact O-N 2.93Å; E379-C381 VanDerWaalsContact O-N 3.07Å |
| 380 | V | 33.7 | Very low | 38.4 | Very low | 77 Ų | 77 | 132.9 Ų | 132.9 | 47% | 0.467 | 72% | 0.72 | S | S | . | * | | | trans | -79.8 | 87.5 | 171.7 | -171.8 | 0 | 0 | 0 | 0 | 109 | E378 H382 | E378-V380 VanDerWaalsContact C-N 3.26Å; E378-V380 HydrophobicContact CB-CG2 4.44Å; E378-V380 HydrophobicContact CG-CG2 3.88Å; E378-V380 PolarHBondContact O-N 3.02Å; E378-V380 VanDerWaalsContact O-N 3.09Å; V380-H382 PolarHBondContact O-N 3.06Å |
| 381 | C | 38.2 | Very low | 38.9 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 78% | 0.784 | 71% | 0.708 | S | S | * | * | | | trans | -62.6 | 100.1 | 166.7 | -70.7 | 0 | 0 | 0 | 0 | 109.4 | E379 E383 | E379-C381 PolarHBondContact O-N 2.93Å; E379-C381 VanDerWaalsContact O-N 3.07Å; C381-E383 PolarHBondContact O-N 3.48Å |
| 382 | H | 36 | Very low | 39.6 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | | | trans | -71.1 | 82.7 | 172.9 | -73.9 | -67.5 | 0 | 0 | 0 | 111 | V380 N384 | V380-H382 PolarHBondContact O-N 3.06Å; H382-N384 PolarHBondContact O-N 2.86Å |
| 383 | E | 35 | Very low | 40.6 | Very low | 171 Ų | 171 | 129.3 Ų | 129.3 | 80% | 0.799 | 71% | 0.706 | S | S | * | * | | | trans | -52.2 | 113.5 | 166.6 | 178.3 | -176.9 | 126.3 | 0 | 0 | 111.2 | C381 G385 | C381-E383 PolarHBondContact O-N 3.48Å; E383-G385 VanDerWaalsContact C-N 3.31Å; E383-G385 PolarHBondContact O-N 3.47Å |
| 384 | N | 46.4 | Very low | 41.5 | Very low | 170 Ų | 170 | 127.1 Ų | 127.1 | 91% | 0.909 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 34.1 | 47.7 | 148.4 | -61.4 | -28.7 | 0 | 0 | 0 | 118.2 | H382 | H382-N384 PolarHBondContact O-N 2.86Š|
| 385 | G | 36.8 | Very low | 42.4 | Very low | 53 Ų | 53 | 123.3 Ų | 123.3 | 55% | 0.546 | 68% | 0.677 | S | S | . | * | | | trans | -136.9 | 121.7 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | E383 S387 | E383-G385 VanDerWaalsContact C-N 3.31Å; E383-G385 PolarHBondContact O-N 3.47Å; G385-S387 PolarHBondContact O-N 2.85Å |
| 386 | L | 41.7 | Very low | 43.6 | Very low | 149 Ų | 149 | 124.3 Ų | 124.3 | 78% | 0.78 | 67% | 0.672 | S | S | * | * | | | trans | -76.4 | 80 | 172.2 | -73.1 | 173.2 | 0 | 0 | 0 | 109.3 | Y388 | L386-Y388 HydrophobicContact CB-CD2 3.98Å; L386-Y388 HydrophobicContact CB-CE2 3.99Å; L386-Y388 HydrophobicContact CD1-CE2 4.07Å; L386-Y388 HydrophobicContact CG-CE2 4.48Å; L386-Y388 PolarHBondContact O-N 2.99Å |
| 387 | S | 35.3 | Very low | 45.3 | Very low | 106 Ų | 106 | 122.9 Ų | 122.9 | 74% | 0.741 | 67% | 0.672 | S | S | * | * | | | trans | -68 | 81.2 | 169.7 | -61.6 | 0 | 0 | 0 | 0 | 109.7 | G385 S389 | G385-S387 PolarHBondContact O-N 2.85Å; S387-S389 PolarHBondContact O-N 3.34Å |
| 388 | Y | 43.5 | Very low | 47 | Very low | 162 Ų | 162 | 121.2 Ų | 121.2 | 64% | 0.635 | 66% | 0.656 | S | S | * | * | | | trans | -70.2 | 61 | 175.4 | -87.6 | -71.6 | 0 | 0 | 0 | 112.2 | L386 L390 | L386-Y388 HydrophobicContact CB-CD2 3.98Å; L386-Y388 HydrophobicContact CB-CE2 3.99Å; L386-Y388 HydrophobicContact CD1-CE2 4.07Å; L386-Y388 HydrophobicContact CG-CE2 4.48Å; L386-Y388 PolarHBondContact O-N 2.99Å; Y388-L390 HydrophobicContact CD1-CD1 3.7Å; Y388-L390 HydrophobicContact CD1-CG 3.97Å; Y388-L390 HydrophobicContact CE1-CD1 3.88Å; Y388-L390 HydrophobicContact CE1-CG 4.45Å; Y388-L390 PolarHBondContact O-N 3.03Å |
| 389 | S | 43.8 | Very low | 49.2 | Very low | 97 Ų | 97 | 117.7 Ų | 117.7 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | | | trans | -79.2 | 57.2 | 157.1 | -68.8 | 0 | 0 | 0 | 0 | 109.3 | S387 S391 | S387-S389 PolarHBondContact O-N 3.34Å; S389-S391 PolarHBondContact O-N 2.87Å |
| 390 | L | 50.7 | Low | 51.2 | Low | 99 Ų | 99 | 113.2 Ų | 113.2 | 52% | 0.518 | 64% | 0.639 | S | S | . | * | | | trans | -64.7 | 83.6 | 173.6 | -106.4 | 174.9 | 0 | 0 | 0 | 109.1 | Y388 D394 | Y388-L390 HydrophobicContact CD1-CD1 3.7Å; Y388-L390 HydrophobicContact CD1-CG 3.97Å; Y388-L390 HydrophobicContact CE1-CD1 3.88Å; Y388-L390 HydrophobicContact CE1-CG 4.45Å; Y388-L390 PolarHBondContact O-N 3.03Å; L390-D394 HydrophobicContact CD2-CB 4.29Å |
| 391 | S | 44.5 | Very low | 53.8 | Low | 74 Ų | 74 | 114 Ų | 114 | 52% | 0.517 | 65% | 0.648 | S | S | . | * | | | trans | -74.8 | 141.5 | 161.8 | -61.5 | 0 | 0 | 0 | 0 | 107.6 | S389 S393 D394 | S389-S391 PolarHBondContact O-N 2.87Å; S391-S393 PolarHBondContact O-N 3.38Å; S391-D394 PolarHBondContact O-N 2.7Å |
| 392 | D | 52.5 | Low | 56.1 | Low | 146 Ų | 146 | 111.6 Ų | 111.6 | 78% | 0.781 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -48.1 | -26.5 | 179 | -96.9 | -51 | 0 | 0 | 0 | 113.5 | D394 T395 | D392-D394 VanDerWaalsContact C-N 3.27Å; D392-D394 PolarHBondContact O-N 3.11Å; D392-T395 WeakPolarHBondContact O-CB 3.12Å; D392-T395 WeakPolarHBondContact O-CG2 3.46Å; D392-T395 PolarHBondContact O-N 3.45Å; D392-T395 PolarHBondContact O-OG1 3Å |
| 393 | S | 53.9 | Low | 58.6 | Low | 84 Ų | 84 | 107 Ų | 107 | 59% | 0.587 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -60.2 | -25.5 | 177.4 | -157.6 | 0 | 0 | 0 | 0 | 115.1 | S391 T395 | S391-S393 PolarHBondContact O-N 3.38Å; S393-T395 PolarHBondContact O-N 3.44Å |
| 394 | D | 55.7 | Low | 61.3 | Low | 82 Ų | 82 | 101.5 Ų | 101.5 | 44% | 0.439 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -78 | -10.4 | -178.7 | -72.3 | -15.3 | 0 | 0 | 0 | 112.8 | L390 S391 D392 E396 H397 | L390-D394 HydrophobicContact CD2-CB 4.29Å; S391-D394 PolarHBondContact O-N 2.7Å; D392-D394 VanDerWaalsContact C-N 3.27Å; D392-D394 PolarHBondContact O-N 3.11Å; D394-E396 PolarHBondContact O-N 3.22Å; D394-E396 VanDerWaalsContact O-N 3.14Å; D394-H397 PolarHBondContact O-N 2.95Å; D394-H397 VanDerWaalsContact O-N 3.09Å |
| 395 | T | 58 | Low | 63.4 | Low | 72 Ų | 72 | 98 Ų | 98 | 44% | 0.442 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -61.7 | -19.9 | 174.5 | 61.1 | 0 | 0 | 0 | 0 | 113 | D392 S393 H397 L398 | D392-T395 WeakPolarHBondContact O-CB 3.12Å; D392-T395 WeakPolarHBondContact O-CG2 3.46Å; D392-T395 PolarHBondContact O-N 3.45Å; D392-T395 PolarHBondContact O-OG1 3Å; S393-T395 PolarHBondContact O-N 3.44Å; T395-H397 PolarHBondContact O-N 3.36Å; T395-L398 WeakPolarHBondContact O-CG 3.27Å |
| 396 | E | 60.8 | Low | 65.9 | Low | 160 Ų | 160 | 98.7 Ų | 98.7 | 75% | 0.748 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -75.7 | -4.6 | 176.1 | -58.5 | -167 | 174.2 | 0 | 0 | 114 | D394 | D394-E396 PolarHBondContact O-N 3.22Å; D394-E396 VanDerWaalsContact O-N 3.14Å |
| 397 | H | 66.1 | Low | 68.2 | Low | 162 Ų | 162 | 99.4 Ų | 99.4 | 75% | 0.75 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -116 | 7.6 | -179 | -67.4 | -3.7 | 0 | 0 | 0 | 113.9 | D394 T395 | D394-H397 PolarHBondContact O-N 2.95Å; D394-H397 VanDerWaalsContact O-N 3.09Å; T395-H397 PolarHBondContact O-N 3.36Å |
| 398 | L | 77.8 | Confident | 71.1 | Confident | 50 Ų | 50 | 99.6 Ų | 99.6 | 26% | 0.262 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -65.2 | 134.6 | 171.4 | -56.1 | 176.6 | 0 | 0 | 0 | 110.4 | T395 L402 E403 | T395-L398 WeakPolarHBondContact O-CG 3.27Å; L398-L402 HydrophobicContact CB-CB 4.28Å; L398-L402 HydrophobicContact CB-CD2 4.24Å; L398-L402 HydrophobicContact CB-CG 4.41Å; L398-L402 HydrophobicContact CD2-CD2 3.66Å; L398-L402 HydrophobicContact CD2-CG 4.2Å; L398-L402 HydrophobicContact CG-CD2 4.49Å; L398-E403 HydrophobicContact CB-CB 4.45Å |
| 399 | S | 82.3 | Confident | 73.4 | Confident | 91 Ų | 91 | 95.8 Ų | 95.8 | 64% | 0.636 | 53% | 0.531 | S | S | * | . | | | trans | -59.2 | 143.9 | 169.1 | -75 | 0 | 0 | 0 | 0 | 110.2 | S401 L402 E403 | S399-S401 PolarHBondContact O-N 3.14Å; S399-L402 WeakPolarHBondContact O-CA 3.39Å; S399-L402 WeakPolarHBondContact O-CB 3.47Å; S399-L402 PolarHBondContact O-N 3.33Å; S399-E403 PolarHBondContact O-N 2.9Å |
| 400 | S | 83.3 | Confident | 75.6 | Confident | 89 Ų | 89 | 99.4 Ų | 99.4 | 62% | 0.622 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -55.3 | -27.1 | -172 | -179.1 | 0 | 0 | 0 | 0 | 115.4 | A404 | S400-A404 WeakPolarHBondContact O-CB 3.43Å; S400-A404 PolarHBondContact O-N 3.39Å; S400-A404 VanDerWaalsContact O-N 3.11Å |
| 401 | S | 86.9 | Confident | 77.4 | Confident | 93 Ų | 93 | 98.9 Ų | 98.9 | 65% | 0.65 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.8 | -37.1 | 171.1 | -167.5 | 0 | 0 | 0 | 0 | 113.1 | S399 A404 E405 | S399-S401 PolarHBondContact O-N 3.14Å; S401-A404 PolarHBondContact O-N 2.82Å; S401-E405 PolarHBondContact O-N 3.14Å |
| 402 | L | 86.8 | Confident | 79.6 | Confident | 66 Ų | 66 | 101.6 Ų | 101.6 | 35% | 0.346 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -72.9 | -42.3 | 179 | -164.2 | 65.6 | 0 | 0 | 0 | 110.3 | L398 S399 A404 E405 H406 | L398-L402 HydrophobicContact CB-CB 4.28Å; L398-L402 HydrophobicContact CB-CD2 4.24Å; L398-L402 HydrophobicContact CB-CG 4.41Å; L398-L402 HydrophobicContact CD2-CD2 3.66Å; L398-L402 HydrophobicContact CD2-CG 4.2Å; L398-L402 HydrophobicContact CG-CD2 4.49Å; S399-L402 WeakPolarHBondContact O-CA 3.39Å; S399-L402 WeakPolarHBondContact O-CB 3.47Å; S399-L402 PolarHBondContact O-N 3.33Å; L402-A404 VanDerWaalsContact C-N 3.3Å; L402-A404 PolarHBondContact O-N 2.98Å; L402-E405 HydrophobicContact CD1-CG 4.39Å; L402-E405 WeakPolarHBondContact O-CG 3.36Å; L402-E405 PolarHBondContact O-N 3.35Å; L402-H406 PolarHBondContact O-CD2 3.09Å; L402-H406 PolarHBondContact O-N 3.39Å |
| 403 | E | 89.3 | Confident | 81.2 | Confident | 71 Ų | 71 | 97.7 Ų | 97.7 | 33% | 0.332 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -56.7 | -42.7 | 169.3 | -174 | -129.4 | 134.6 | 0 | 0 | 111.8 | L398 S399 H406 R407 | L398-E403 HydrophobicContact CB-CB 4.45Å; S399-E403 PolarHBondContact O-N 2.9Å; E403-H406 PolarHBondContact O-N 3.05Å; E403-R407 WeakPolarHBondContact O-CB 3.22Å; E403-R407 VanDerWaalsContact O-CG 3.3Å; E403-R407 WeakPolarHBondContact O-CG 3.25Å; E403-R407 PolarHBondContact O-N 2.81Å; E403-R407 WeakPolarHBondContact OE1-CD 3.38Å; E403-R407 IonicContact OE1-CZ 3.74Å; E403-R407 IonicContact OE1-NE 2.65Å; E403-R407 IonicContact OE1-NH1 2.71Å; E403-R407 PolarHBondContact OE1-NH1 2.79Å |
| 404 | A | 91.3 | Very high | 82.7 | Confident | 55 Ų | 55 | 102.3 Ų | 102.3 | 46% | 0.455 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66 | -37.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S400 S401 L402 L408 | S400-A404 WeakPolarHBondContact O-CB 3.43Å; S400-A404 PolarHBondContact O-N 3.39Å; S400-A404 VanDerWaalsContact O-N 3.11Å; S401-A404 PolarHBondContact O-N 2.82Å; L402-A404 VanDerWaalsContact C-N 3.3Å; L402-A404 PolarHBondContact O-N 2.98Å; A404-L408 WeakPolarHBondContact O-CB 3.34Å; A404-L408 PolarHBondContact O-N 2.9Å |
| 405 | E | 90.4 | Very high | 83.6 | Confident | 98 Ų | 98 | 104.9 Ų | 104.9 | 46% | 0.458 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -75.5 | -37.8 | 174.4 | 60.5 | -174.5 | -117.7 | 0 | 0 | 112.7 | S401 L402 R407 L408 L409 | S401-E405 PolarHBondContact O-N 3.14Å; L402-E405 HydrophobicContact CD1-CG 4.39Å; L402-E405 WeakPolarHBondContact O-CG 3.36Å; L402-E405 PolarHBondContact O-N 3.35Å; E405-R407 VanDerWaalsContact C-N 3.28Å; E405-R407 PolarHBondContact O-N 2.86Å; E405-L408 PolarHBondContact O-N 2.87Å; E405-L408 VanDerWaalsContact O-N 3.11Å; E405-L409 WeakPolarHBondContact O-CB 3.47Å; E405-L409 WeakPolarHBondContact O-CG 3.45Å; E405-L409 PolarHBondContact O-N 3.08Å |
| 406 | H | 88.9 | Confident | 84 | Confident | 67 Ų | 67 | 108.6 Ų | 108.6 | 31% | 0.31 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -57.3 | -43.2 | 170.5 | -78.3 | -130.4 | 0 | 0 | 0 | 110.9 | L402 E403 L409 K410 | L402-H406 PolarHBondContact O-CD2 3.09Å; L402-H406 PolarHBondContact O-N 3.39Å; E403-H406 PolarHBondContact O-N 3.05Å; H406-L409 PolarHBondContact O-N 3.14Å; H406-K410 WeakPolarHBondContact O-CB 3.33Å; H406-K410 PolarHBondContact O-N 3.02Å |
| 407 | R | 91.6 | Very high | 84.2 | Confident | 164 Ų | 164 | 107.3 Ų | 107.3 | 62% | 0.619 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.2 | -37.7 | 174.7 | -74.5 | 170.6 | 61.4 | -179.1 | 0.5 | 113 | E403 E405 A411 | E403-R407 WeakPolarHBondContact O-CB 3.22Å; E403-R407 VanDerWaalsContact O-CG 3.3Å; E403-R407 WeakPolarHBondContact O-CG 3.25Å; E403-R407 PolarHBondContact O-N 2.81Å; E403-R407 WeakPolarHBondContact OE1-CD 3.38Å; E403-R407 IonicContact OE1-CZ 3.74Å; E403-R407 IonicContact OE1-NE 2.65Å; E403-R407 IonicContact OE1-NH1 2.71Å; E403-R407 PolarHBondContact OE1-NH1 2.79Å; E405-R407 VanDerWaalsContact C-N 3.28Å; E405-R407 PolarHBondContact O-N 2.86Å; R407-A411 WeakPolarHBondContact O-CB 3.46Å; R407-A411 PolarHBondContact O-N 3.11Å |
| 408 | L | 94.6 | Very high | 84.2 | Confident | 110 Ų | 110 | 103.9 Ų | 103.9 | 58% | 0.576 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.6 | -46.1 | 175.4 | 176.7 | 61 | 0 | 0 | 0 | 111.7 | A404 E405 A411 M412 | A404-L408 WeakPolarHBondContact O-CB 3.34Å; A404-L408 PolarHBondContact O-N 2.9Å; E405-L408 PolarHBondContact O-N 2.87Å; E405-L408 VanDerWaalsContact O-N 3.11Å; L408-A411 PolarHBondContact O-N 2.93Å; L408-M412 HydrophobicContact CD1-CG 4.03Å; L408-M412 HydrophobicContact CG-CG 4.5Å; L408-M412 WeakPolarHBondContact O-CB 3.33Å; L408-M412 VanDerWaalsContact O-CG 3.25Å; L408-M412 WeakPolarHBondContact O-CG 3.33Å; L408-M412 PolarHBondContact O-N 2.96Å |
| 409 | L | 92.2 | Very high | 83.2 | Confident | 82 Ų | 82 | 110.9 Ų | 110.9 | 43% | 0.429 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -57.7 | -51.8 | 176.8 | -72.8 | 169 | 0 | 0 | 0 | 110.4 | E405 H406 A411 M412 G413 W414 | E405-L409 WeakPolarHBondContact O-CB 3.47Å; E405-L409 WeakPolarHBondContact O-CG 3.45Å; E405-L409 PolarHBondContact O-N 3.08Å; H406-L409 PolarHBondContact O-N 3.14Å; L409-A411 PolarHBondContact O-N 3.45Å; L409-M412 CarbonylContact O-C 3.47Å; L409-M412 WeakPolarHBondContact O-CA 3.44Å; L409-M412 PolarHBondContact O-N 3.01Å; L409-G413 PolarHBondContact O-N 2.84Å; L409-W414 HydrophobicContact CB-CB 4.02Å; L409-W414 HydrophobicContact CD2-CB 4.08Å; L409-W414 HydrophobicContact CD2-CG 4.06Å; L409-W414 WeakPolarHBondContact O-CB 3.36Å; L409-W414 PolarHBondContact O-N 3.08Å |
| 410 | K | 90.3 | Very high | 81.7 | Confident | 173 Ų | 173 | 113.1 Ų | 113.1 | 75% | 0.752 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -59.9 | -41.2 | 177.4 | -163.5 | 162.9 | -172.1 | 162.3 | 0 | 112.5 | H406 M412 G413 | H406-K410 WeakPolarHBondContact O-CB 3.33Å; H406-K410 PolarHBondContact O-N 3.02Å; K410-M412 VanDerWaalsContact C-N 3.31Å; K410-M412 PolarHBondContact O-N 2.74Å; K410-G413 PolarHBondContact O-N 3.24Å |
| 411 | A | 88.1 | Confident | 80.2 | Confident | 87 Ų | 87 | 112.3 Ų | 112.3 | 72% | 0.719 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.7 | -26.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R407 L408 L409 G413 | R407-A411 WeakPolarHBondContact O-CB 3.46Å; R407-A411 PolarHBondContact O-N 3.11Å; L408-A411 PolarHBondContact O-N 2.93Å; L409-A411 PolarHBondContact O-N 3.45Å; A411-G413 VanDerWaalsContact C-N 3.29Å |
| 412 | M | 91.1 | Very high | 78.7 | Confident | 132 Ų | 132 | 115.1 Ų | 115.1 | 65% | 0.65 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 3.6 | 174.1 | -72.6 | -65 | -58.7 | 0 | 0 | 113.3 | L408 L409 K410 W414 | L408-M412 HydrophobicContact CD1-CG 4.03Å; L408-M412 HydrophobicContact CG-CG 4.5Å; L408-M412 WeakPolarHBondContact O-CB 3.33Å; L408-M412 VanDerWaalsContact O-CG 3.25Å; L408-M412 WeakPolarHBondContact O-CG 3.33Å; L408-M412 PolarHBondContact O-N 2.96Å; L409-M412 CarbonylContact O-C 3.47Å; L409-M412 WeakPolarHBondContact O-CA 3.44Å; L409-M412 PolarHBondContact O-N 3.01Å; K410-M412 VanDerWaalsContact C-N 3.31Å; K410-M412 PolarHBondContact O-N 2.74Å; M412-W414 VanDerWaalsContact C-N 3.32Å |
| 413 | G | 86.1 | Confident | 77.4 | Confident | 64 Ų | 64 | 118.3 Ų | 118.3 | 66% | 0.66 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.9 | 10.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L409 K410 A411 Q415 | L409-G413 PolarHBondContact O-N 2.84Å; K410-G413 PolarHBondContact O-N 3.24Å; A411-G413 VanDerWaalsContact C-N 3.29Å; G413-Q415 PolarHBondContact O-N 2.83Å |
| 414 | W | 85.4 | Confident | 75.8 | Confident | 181 Ų | 181 | 123.1 Ų | 123.1 | 69% | 0.686 | 62% | 0.623 | S | S | * | * | | | trans | -77 | 93.1 | 167.7 | -66.6 | 83 | 0 | 0 | 0 | 108.1 | L409 M412 | L409-W414 HydrophobicContact CB-CB 4.02Å; L409-W414 HydrophobicContact CD2-CB 4.08Å; L409-W414 HydrophobicContact CD2-CG 4.06Å; L409-W414 WeakPolarHBondContact O-CB 3.36Å; L409-W414 PolarHBondContact O-N 3.08Å; M412-W414 VanDerWaalsContact C-N 3.32Å |
| 415 | Q | 73.9 | Confident | 74.8 | Confident | 136 Ų | 136 | 127.1 Ų | 127.1 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | | | trans | -83.2 | 116.1 | 170.2 | -175.6 | 157.5 | -6.6 | 0 | 0 | 108.5 | G413 Y417 | G413-Q415 PolarHBondContact O-N 2.83Å; Q415-Y417 HydrophobicContact CB-CD2 4.39Å; Q415-Y417 HydrophobicContact CB-CE2 4Å; Q415-Y417 HydrophobicContact CG-CD2 4.32Å; Q415-Y417 HydrophobicContact CG-CE2 4.16Å; Q415-Y417 VanDerWaalsContact O-CD2 3.27Å; Q415-Y417 WeakPolarHBondContact O-CD2 3.48Å; Q415-Y417 PolarHBondContact O-N 3.4Å; Q415-Y417 VanDerWaalsContact O-N 3.17Å |
| 416 | E | 66.7 | Low | 74.1 | Confident | 150 Ų | 150 | 127.8 Ų | 127.8 | 70% | 0.701 | 65% | 0.648 | S | S | * | * | | | trans | -65.6 | 106.4 | 160.1 | -172.7 | 164.5 | -142.2 | 0 | 0 | 106.6 | | |
| 417 | Y | 64.4 | Low | 73.3 | Confident | 133 Ų | 133 | 130.6 Ų | 130.6 | 52% | 0.522 | 67% | 0.665 | S | S | . | * | | | trans | -76.7 | 142.7 | 169.6 | -73.7 | -99.2 | 0 | 0 | 0 | 107.6 | Q415 E419 | Q415-Y417 HydrophobicContact CB-CD2 4.39Å; Q415-Y417 HydrophobicContact CB-CE2 4Å; Q415-Y417 HydrophobicContact CG-CD2 4.32Å; Q415-Y417 HydrophobicContact CG-CE2 4.16Å; Q415-Y417 VanDerWaalsContact O-CD2 3.27Å; Q415-Y417 WeakPolarHBondContact O-CD2 3.48Å; Q415-Y417 PolarHBondContact O-N 3.4Å; Q415-Y417 VanDerWaalsContact O-N 3.17Å; Y417-E419 PolarHBondContact O-N 3.37Å |
| 418 | P | 66.3 | Low | 72.9 | Confident | 89 Ų | 89 | 125.9 Ų | 125.9 | 58% | 0.578 | 66% | 0.655 | S | S | * | * | | | trans | -56.4 | 139.9 | 169.2 | 26.9 | -34 | 0 | 0 | 0 | 108.8 | N420 D421 | P418-N420 PolarHBondContact O-N 3.5Å; P418-D421 PolarHBondContact O-N 2.92Å |
| 419 | E | 57 | Low | 72.5 | Confident | 197 Ų | 197 | 126.9 Ų | 126.9 | 92% | 0.921 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 17.2 | -172.1 | -152.8 | 170.6 | -149.2 | 0 | 0 | 114 | Y417 | Y417-E419 PolarHBondContact O-N 3.37Š|
| 420 | N | 51.9 | Low | 72.3 | Confident | 139 Ų | 139 | 128 Ų | 128 | 74% | 0.743 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.2 | 16.9 | -170.6 | -154.3 | 4 | 0 | 0 | 0 | 111.8 | P418 D422 | P418-N420 PolarHBondContact O-N 3.5Å; N420-D422 PolarHBondContact O-N 2.86Å |
| 421 | D | 51.5 | Low | 72.4 | Confident | 71 Ų | 71 | 124.8 Ų | 124.8 | 38% | 0.38 | 65% | 0.651 | S | S | . | * | | | trans | -82.2 | 92.2 | 166.7 | -115.6 | -27.4 | 0 | 0 | 0 | 109.2 | P418 N423 F424 | P418-D421 PolarHBondContact O-N 2.92Å; D421-N423 PolarHBondContact O-N 2.81Å; D421-F424 PolarHBondContact O-N 3.16Å |
| 422 | D | 55.4 | Low | 72.7 | Confident | 153 Ų | 153 | 124.5 Ų | 124.5 | 82% | 0.818 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | 1.9 | 169.3 | -81.7 | -42.4 | 0 | 0 | 0 | 113.6 | N420 F424 | N420-D422 PolarHBondContact O-N 2.86Å; D422-F424 PolarHBondContact O-N 3.09Å |
| 423 | N | 58.2 | Low | 72.6 | Confident | 133 Ų | 133 | 123 Ų | 123 | 71% | 0.711 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -4.4 | 176.9 | -164 | 80.4 | 0 | 0 | 0 | 113.4 | D421 L425 | D421-N423 PolarHBondContact O-N 2.81Å; N423-L425 PolarHBondContact O-N 2.82Å |
| 424 | F | 55.7 | Low | 73 | Confident | 171 Ų | 171 | 125 Ų | 125 | 75% | 0.75 | 62% | 0.615 | S | S | * | * | | | trans | -70.5 | 76.6 | 159.3 | -70.1 | -75 | 0 | 0 | 0 | 110.5 | D421 D422 | D421-F424 PolarHBondContact O-N 3.16Å; D422-F424 PolarHBondContact O-N 3.09Å |
| 425 | L | 72.1 | Confident | 73.4 | Confident | 140 Ų | 140 | 122.6 Ų | 122.6 | 73% | 0.733 | 61% | 0.61 | S | S | * | * | | | trans | -50.9 | 130.6 | 166.9 | -68.8 | 174.7 | 0 | 0 | 0 | 109 | N423 L427 | N423-L425 PolarHBondContact O-N 2.82Å; L425-L427 PolarHBondContact O-N 3.07Å |
| 426 | P | 73.9 | Confident | 74.2 | Confident | 111 Ų | 111 | 121.4 Ų | 121.4 | 72% | 0.721 | 61% | 0.605 | S | S | * | * | | | trans | -58.2 | 139.5 | 176 | 25.5 | -34 | 0 | 0 | 0 | 108.9 | T428 | P426-T428 PolarHBondContact O-N 2.97Å; P426-T428 VanDerWaalsContact O-N 3.11Å |
| 427 | L | 73 | Confident | 75.5 | Confident | 126 Ų | 126 | 117.6 Ų | 117.6 | 66% | 0.66 | 59% | 0.592 | S | S | * | * | | | trans | -44 | 123.1 | -174.1 | -81.1 | 87.5 | 0 | 0 | 0 | 110 | L425 | L425-L427 PolarHBondContact O-N 3.07Š|
| 428 | T | 83.2 | Confident | 76.7 | Confident | 66 Ų | 66 | 117.2 Ų | 117.2 | 41% | 0.405 | 59% | 0.593 | S | S | . | * | | | trans | -60.8 | 151.3 | -176.6 | 62.3 | 0 | 0 | 0 | 0 | 109.5 | P426 D430 E431 L432 | P426-T428 PolarHBondContact O-N 2.97Å; P426-T428 VanDerWaalsContact O-N 3.11Å; T428-D430 PolarHBondContact O-N 2.69Å; T428-D430 VanDerWaalsContact O-N 3.07Å; T428-E431 WeakPolarHBondContact CB-OE2 3.42Å; T428-E431 WeakPolarHBondContact CG2-OE2 2.96Å; T428-E431 PolarHBondContact N-OE2 2.84Å; T428-E431 PolarHBondContact O-N 3.35Å; T428-E431 VanDerWaalsContact OG1-CD 3.28Å; T428-E431 VanDerWaalsContact OG1-CG 3.28Å; T428-E431 WeakPolarHBondContact OG1-CG 3.3Å; T428-E431 PolarHBondContact OG1-N 3.11Å; T428-E431 PolarHBondContact OG1-OE2 2.97Å; T428-L432 PolarHBondContact O-N 2.71Å |
| 429 | E | 86 | Confident | 77.7 | Confident | 130 Ų | 130 | 116.1 Ų | 116.1 | 61% | 0.607 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -56.1 | -32.3 | -178.7 | -153.4 | -155.3 | 124.4 | 0 | 0 | 111.2 | R433 | E429-R433 WeakPolarHBondContact O-CB 3.45Å; E429-R433 WeakPolarHBondContact O-CG 3.42Å; E429-R433 PolarHBondContact O-N 2.96Å; E429-R433 IonicContact OE1-CZ 3.51Å; E429-R433 IonicContact OE1-NH1 2.68Å; E429-R433 PolarHBondContact OE1-NH1 2.78Å; E429-R433 IonicContact OE2-NH1 3.45Å |
| 430 | D | 88.9 | Confident | 79.2 | Confident | 107 Ų | 107 | 110.9 Ų | 110.9 | 57% | 0.572 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.2 | -48.2 | 173.1 | -74.9 | 41.2 | 0 | 0 | 0 | 113 | T428 R433 E434 | T428-D430 PolarHBondContact O-N 2.69Å; T428-D430 VanDerWaalsContact O-N 3.07Å; D430-R433 PolarHBondContact O-N 3.34Å; D430-R433 IonicContact OD1-CZ 2.69Å; D430-R433 IonicContact OD1-NH1 3.53Å; D430-R433 PolarHBondContact OD1-NH1 2.9Å; D430-R433 IonicContact OD1-NH2 3.82Å; D430-R433 PolarHBondContact OD1-NH2 2.85Å; D430-R433 IonicContact OD2-NH2 2.71Å; D430-E434 PolarHBondContact O-N 3.02Å |
| 431 | E | 92.5 | Very high | 80.9 | Confident | 105 Ų | 105 | 109.5 Ų | 109.5 | 49% | 0.491 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 177.1 | -70.6 | 164 | 124.5 | 0 | 0 | 112 | T428 R433 E434 F435 | T428-E431 WeakPolarHBondContact CB-OE2 3.42Å; T428-E431 WeakPolarHBondContact CG2-OE2 2.96Å; T428-E431 PolarHBondContact N-OE2 2.84Å; T428-E431 PolarHBondContact O-N 3.35Å; T428-E431 VanDerWaalsContact OG1-CD 3.28Å; T428-E431 VanDerWaalsContact OG1-CG 3.28Å; T428-E431 WeakPolarHBondContact OG1-CG 3.3Å; T428-E431 PolarHBondContact OG1-N 3.11Å; T428-E431 PolarHBondContact OG1-OE2 2.97Å; E431-R433 VanDerWaalsContact C-N 3.35Å; E431-E434 PolarHBondContact O-N 3.08Å; E431-F435 PolarHBondContact O-N 3.47Å |
| 432 | L | 92.6 | Very high | 82.4 | Confident | 81 Ų | 81 | 112.4 Ų | 112.4 | 42% | 0.424 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63 | -42.1 | 175.2 | -176.6 | 61.1 | 0 | 0 | 0 | 111.1 | T428 F435 Q436 | T428-L432 PolarHBondContact O-N 2.71Å; L432-F435 PolarHBondContact O-N 3.17Å; L432-Q436 VanDerWaalsContact O-CG 3.31Å; L432-Q436 WeakPolarHBondContact O-CG 3.21Å; L432-Q436 PolarHBondContact O-N 3.39Å |
| 433 | R | 90.8 | Very high | 83.7 | Confident | 101 Ų | 101 | 112.1 Ų | 112.1 | 38% | 0.381 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.4 | -33 | 174.1 | -69.4 | -179.1 | -30.8 | -110.1 | -8.1 | 112.3 | E429 D430 E431 T437 | E429-R433 WeakPolarHBondContact O-CB 3.45Å; E429-R433 WeakPolarHBondContact O-CG 3.42Å; E429-R433 PolarHBondContact O-N 2.96Å; E429-R433 IonicContact OE1-CZ 3.51Å; E429-R433 IonicContact OE1-NH1 2.68Å; E429-R433 PolarHBondContact OE1-NH1 2.78Å; E429-R433 IonicContact OE2-NH1 3.45Å; D430-R433 PolarHBondContact O-N 3.34Å; D430-R433 IonicContact OD1-CZ 2.69Å; D430-R433 IonicContact OD1-NH1 3.53Å; D430-R433 PolarHBondContact OD1-NH1 2.9Å; D430-R433 IonicContact OD1-NH2 3.82Å; D430-R433 PolarHBondContact OD1-NH2 2.85Å; D430-R433 IonicContact OD2-NH2 2.71Å; E431-R433 VanDerWaalsContact C-N 3.35Å; R433-T437 WeakPolarHBondContact O-CB 3.37Å; R433-T437 WeakPolarHBondContact O-CG2 3.49Å; R433-T437 PolarHBondContact O-N 2.96Å; R433-T437 PolarHBondContact O-OG1 3.42Å |
| 434 | E | 93.8 | Very high | 84.6 | Confident | 104 Ų | 104 | 110.9 Ų | 110.9 | 49% | 0.486 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.9 | -49.4 | 169.6 | -158.8 | -154.5 | 119.7 | 0 | 0 | 110.2 | D430 E431 Q436 T437 K438 | D430-E434 PolarHBondContact O-N 3.02Å; E431-E434 PolarHBondContact O-N 3.08Å; E434-Q436 VanDerWaalsContact C-N 3.33Å; E434-Q436 PolarHBondContact O-N 2.65Å; E434-T437 PolarHBondContact O-N 3.43Å; E434-T437 PolarHBondContact O-OG1 3.1Å; E434-T437 VanDerWaalsContact O-OG1 3.1Å; E434-K438 WeakPolarHBondContact O-CB 3.46Å; E434-K438 PolarHBondContact O-N 3Å; E434-K438 WeakPolarHBondContact OE1-CD 3.28Å; E434-K438 WeakPolarHBondContact OE1-CE 3.36Å; E434-K438 IonicContact OE1-NZ 3.74Å; E434-K438 PolarHBondContact OE1-NZ 2.84Å |
| 435 | F | 93.6 | Very high | 85.2 | Confident | 131 Ų | 131 | 107 Ų | 107 | 58% | 0.575 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.7 | -42.4 | -179.5 | -169.2 | -93 | 0 | 0 | 0 | 112.5 | E431 L432 T439 | E431-F435 PolarHBondContact O-N 3.47Å; L432-F435 PolarHBondContact O-N 3.17Å; F435-T439 HydrophobicContact CD1-CG2 4.25Å; F435-T439 HydrophobicContact CE1-CG2 3.86Å; F435-T439 HydrophobicContact CZ-CG2 4.08Å; F435-T439 WeakPolarHBondContact O-CB 3.38Å; F435-T439 WeakPolarHBondContact O-CG2 3.2Å; F435-T439 PolarHBondContact O-N 3.13Å; F435-T439 PolarHBondContact O-OG1 3.2Å |
| 436 | Q | 91.6 | Very high | 84.6 | Confident | 111 Ų | 111 | 103.5 Ų | 103.5 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -48.8 | 174.4 | -71.5 | 176.7 | 16.9 | 0 | 0 | 112.4 | L432 E434 K438 T439 E440 | L432-Q436 VanDerWaalsContact O-CG 3.31Å; L432-Q436 WeakPolarHBondContact O-CG 3.21Å; L432-Q436 PolarHBondContact O-N 3.39Å; E434-Q436 VanDerWaalsContact C-N 3.33Å; E434-Q436 PolarHBondContact O-N 2.65Å; Q436-K438 VanDerWaalsContact C-N 3.32Å; Q436-K438 PolarHBondContact O-N 3.2Å; Q436-T439 PolarHBondContact O-N 2.99Å; Q436-T439 PolarHBondContact O-OG1 3.07Å; Q436-E440 WeakPolarHBondContact O-CB 3.33Å; Q436-E440 PolarHBondContact O-N 2.98Å |
| 437 | T | 92.6 | Very high | 83.9 | Confident | 70 Ų | 70 | 105.9 Ų | 105.9 | 43% | 0.429 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.5 | -30.2 | 179.4 | 53.8 | 0 | 0 | 0 | 0 | 112.7 | R433 E434 Q441 | R433-T437 WeakPolarHBondContact O-CB 3.37Å; R433-T437 WeakPolarHBondContact O-CG2 3.49Å; R433-T437 PolarHBondContact O-N 2.96Å; R433-T437 PolarHBondContact O-OG1 3.42Å; E434-T437 PolarHBondContact O-N 3.43Å; E434-T437 PolarHBondContact O-OG1 3.1Å; E434-T437 VanDerWaalsContact O-OG1 3.1Å; T437-Q441 VanDerWaalsContact O-CB 3.28Å; T437-Q441 WeakPolarHBondContact O-CB 3.39Å; T437-Q441 VanDerWaalsContact O-CG 3.22Å; T437-Q441 WeakPolarHBondContact O-CG 3.12Å; T437-Q441 PolarHBondContact O-N 2.75Å |
| 438 | K | 89.7 | Confident | 83.2 | Confident | 126 Ų | 126 | 106.3 Ų | 106.3 | 55% | 0.548 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -73.5 | -39.4 | 176.7 | -163.5 | 177.3 | -151.7 | 161.1 | 0 | 111.9 | E434 Q436 L442 | E434-K438 WeakPolarHBondContact O-CB 3.46Å; E434-K438 PolarHBondContact O-N 3Å; E434-K438 WeakPolarHBondContact OE1-CD 3.28Å; E434-K438 WeakPolarHBondContact OE1-CE 3.36Å; E434-K438 IonicContact OE1-NZ 3.74Å; E434-K438 PolarHBondContact OE1-NZ 2.84Å; Q436-K438 VanDerWaalsContact C-N 3.32Å; Q436-K438 PolarHBondContact O-N 3.2Å; K438-L442 WeakPolarHBondContact O-CB 3.35Å; K438-L442 PolarHBondContact O-N 3.19Å |
| 439 | T | 88 | Confident | 81.7 | Confident | 65 Ų | 65 | 113.9 Ų | 113.9 | 40% | 0.399 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.6 | -36 | 171.6 | 49.7 | 0 | 0 | 0 | 0 | 112.3 | F435 Q436 L442 K443 | F435-T439 HydrophobicContact CD1-CG2 4.25Å; F435-T439 HydrophobicContact CE1-CG2 3.86Å; F435-T439 HydrophobicContact CZ-CG2 4.08Å; F435-T439 WeakPolarHBondContact O-CB 3.38Å; F435-T439 WeakPolarHBondContact O-CG2 3.2Å; F435-T439 PolarHBondContact O-N 3.13Å; F435-T439 PolarHBondContact O-OG1 3.2Å; Q436-T439 PolarHBondContact O-N 2.99Å; Q436-T439 PolarHBondContact O-OG1 3.07Å; T439-L442 PolarHBondContact O-N 2.98Å; T439-K443 WeakPolarHBondContact O-CB 3.35Å; T439-K443 PolarHBondContact O-N 3.19Å |
| 440 | E | 88.4 | Confident | 79.9 | Confident | 88 Ų | 88 | 115.7 Ų | 115.7 | 41% | 0.411 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.8 | -43.5 | 170.6 | -160.5 | -141.6 | 126.8 | 0 | 0 | 111.7 | Q436 L442 K443 K444 | Q436-E440 WeakPolarHBondContact O-CB 3.33Å; Q436-E440 PolarHBondContact O-N 2.98Å; E440-L442 VanDerWaalsContact C-N 3.32Å; E440-L442 PolarHBondContact O-N 3.04Å; E440-K443 WeakPolarHBondContact O-CB 3.23Å; E440-K443 PolarHBondContact O-N 3.26Å; E440-K444 VanDerWaalsContact O-CB 3.24Å; E440-K444 WeakPolarHBondContact O-CB 3.29Å; E440-K444 PolarHBondContact O-N 2.96Å; E440-K444 IonicContact OE1-NZ 3.43Å |
| 441 | Q | 86.6 | Confident | 77.8 | Confident | 110 Ų | 110 | 113.4 Ų | 113.4 | 51% | 0.514 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -57.8 | -43.9 | 172.6 | -82.4 | -179.7 | 57 | 0 | 0 | 111.4 | T437 K443 K444 N445 | T437-Q441 VanDerWaalsContact O-CB 3.28Å; T437-Q441 WeakPolarHBondContact O-CB 3.39Å; T437-Q441 VanDerWaalsContact O-CG 3.22Å; T437-Q441 WeakPolarHBondContact O-CG 3.12Å; T437-Q441 PolarHBondContact O-N 2.75Å; Q441-K443 PolarHBondContact O-N 3.29Å; Q441-K444 PolarHBondContact O-N 3.13Å; Q441-N445 WeakPolarHBondContact O-CB 3.34Å; Q441-N445 PolarHBondContact O-N 3.08Å; Q441-N445 PolarHBondContact O-ND2 3.24Å; Q441-N445 VanDerWaalsContact O-ND2 3.15Å |
| 442 | L | 84.9 | Confident | 75.8 | Confident | 131 Ų | 131 | 115.8 Ų | 115.8 | 69% | 0.686 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.6 | -44.9 | 176.3 | -175.7 | 59.7 | 0 | 0 | 0 | 111.8 | K438 T439 E440 K444 G446 | K438-L442 WeakPolarHBondContact O-CB 3.35Å; K438-L442 PolarHBondContact O-N 3.19Å; T439-L442 PolarHBondContact O-N 2.98Å; E440-L442 VanDerWaalsContact C-N 3.32Å; E440-L442 PolarHBondContact O-N 3.04Å; L442-K444 PolarHBondContact O-N 2.59Å; L442-G446 PolarHBondContact O-N 3.12Å |
| 443 | K | 81.3 | Confident | 73.8 | Confident | 148 Ų | 148 | 119.2 Ų | 119.2 | 64% | 0.643 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -59.4 | -42.9 | 174.8 | -179.6 | -179.7 | 67.8 | -173.8 | 0 | 112.4 | T439 E440 Q441 | T439-K443 WeakPolarHBondContact O-CB 3.35Å; T439-K443 PolarHBondContact O-N 3.19Å; E440-K443 WeakPolarHBondContact O-CB 3.23Å; E440-K443 PolarHBondContact O-N 3.26Å; Q441-K443 PolarHBondContact O-N 3.29Å |
| 444 | K | 77.6 | Confident | 71.8 | Confident | 107 Ų | 107 | 119.8 Ų | 119.8 | 47% | 0.465 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -74.3 | -46.1 | -178.3 | -169.5 | 173.4 | -171.1 | 166.5 | 0 | 112.2 | E440 Q441 L442 G446 M447 Q448 | E440-K444 VanDerWaalsContact O-CB 3.24Å; E440-K444 WeakPolarHBondContact O-CB 3.29Å; E440-K444 PolarHBondContact O-N 2.96Å; E440-K444 IonicContact OE1-NZ 3.43Å; Q441-K444 PolarHBondContact O-N 3.13Å; L442-K444 PolarHBondContact O-N 2.59Å; K444-G446 VanDerWaalsContact C-N 3.3Å; K444-G446 PolarHBondContact O-N 3.3Å; K444-M447 PolarHBondContact O-N 3.28Å; K444-M447 VanDerWaalsContact O-N 3.14Å; K444-Q448 PolarHBondContact O-N 3.03Å |
| 445 | N | 68.7 | Low | 69.4 | Low | 88 Ų | 88 | 126.3 Ų | 126.3 | 47% | 0.471 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -69.4 | -29 | 179 | -65.1 | -21.1 | 0 | 0 | 0 | 112 | Q441 M447 | Q441-N445 WeakPolarHBondContact O-CB 3.34Å; Q441-N445 PolarHBondContact O-N 3.08Å; Q441-N445 PolarHBondContact O-ND2 3.24Å; Q441-N445 VanDerWaalsContact O-ND2 3.15Å; N445-M447 PolarHBondContact O-N 2.84Å |
| 446 | G | 59.5 | Low | 67.1 | Low | 67 Ų | 67 | 126.2 Ų | 126.2 | 69% | 0.691 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.2 | -24.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L442 K444 | L442-G446 PolarHBondContact O-N 3.12Å; K444-G446 VanDerWaalsContact C-N 3.3Å; K444-G446 PolarHBondContact O-N 3.3Å |
| 447 | M | 58.1 | Low | 65 | Low | 161 Ų | 161 | 132.2 Ų | 132.2 | 79% | 0.793 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -96 | -20.1 | -177.4 | -149.4 | 79.8 | 81.9 | 0 | 0 | 114 | K444 N445 | K444-M447 PolarHBondContact O-N 3.28Å; K444-M447 VanDerWaalsContact O-N 3.14Å; N445-M447 PolarHBondContact O-N 2.84Å |
| 448 | Q | 58.1 | Low | 62.6 | Low | 135 Ų | 135 | 131.7 Ų | 131.7 | 63% | 0.631 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -103 | 0.1 | -168.6 | -66.8 | -169 | 5.3 | 0 | 0 | 115.8 | K444 N450 | K444-Q448 PolarHBondContact O-N 3.03Å; Q448-N450 PolarHBondContact O-N 3.49Å |
| 449 | R | 51.8 | Low | 60.5 | Low | 226 Ų | 226 | 131.4 Ų | 131.4 | 85% | 0.853 | 69% | 0.689 | S | S | * | * | | | trans | -87.2 | 88.8 | 173.6 | -66.1 | -160.9 | 74.1 | 172.7 | 2.2 | 111.5 | G451 | R449-G451 PolarHBondContact O-N 3.01Š|
| 450 | N | 49.6 | Very low | 58.2 | Low | 167 Ų | 167 | 133.1 Ų | 133.1 | 89% | 0.893 | 70% | 0.7 | S | S | * | * | | | trans | -52.4 | 117.7 | 169.2 | -68.6 | -41.2 | 0 | 0 | 0 | 111.2 | Q448 | Q448-N450 PolarHBondContact O-N 3.49Š|
| 451 | G | 43.3 | Very low | 56.1 | Low | 60 Ų | 60 | 134.8 Ų | 134.8 | 62% | 0.619 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 159 | 113.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | R449 L453 | R449-G451 PolarHBondContact O-N 3.01Å; G451-L453 PolarHBondContact O-N 3.04Å |
| 452 | V | 52.2 | Low | 54 | Low | 155 Ų | 155 | 136.8 Ų | 136.8 | 94% | 0.939 | 72% | 0.72 | S | S | * | * | | | trans | -68.3 | 99.5 | -174.4 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 453 | L | 50.3 | Low | 51.9 | Low | 152 Ų | 152 | 139.4 Ų | 139.4 | 80% | 0.796 | 73% | 0.726 | S | S | * | * | | | trans | -95.6 | 140.7 | 163.1 | -70.4 | 172.5 | 0 | 0 | 0 | 109.2 | G451 R455 | G451-L453 PolarHBondContact O-N 3.04Å; L453-R455 PolarHBondContact O-N 3.33Å; L453-R455 VanDerWaalsContact O-N 3.12Å |
| 454 | P | 47.3 | Very low | 50 | Low | 114 Ų | 114 | 136.9 Ų | 136.9 | 74% | 0.74 | 72% | 0.723 | S | S | * | * | | | trans | -63.3 | 118.3 | 174.2 | 26.9 | -32.9 | 0 | 0 | 0 | 108.9 | T456 | P454-T456 PolarHBondContact O-N 2.94Š|
| 455 | R | 43.6 | Very low | 48.1 | Very low | 240 Ų | 240 | 137.2 Ų | 137.2 | 91% | 0.906 | 74% | 0.736 | S | S | * | * | | | trans | -32.3 | 98.2 | 179 | -179.7 | -174.8 | -178.8 | -171.7 | 2.2 | 111.9 | L453 R457 | L453-R455 PolarHBondContact O-N 3.33Å; L453-R455 VanDerWaalsContact O-N 3.12Å; R455-R457 PolarHBondContact O-N 3.39Å |
| 456 | T | 46.6 | Very low | 46.4 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | | | trans | -57.3 | 115.7 | 167.2 | 44.3 | 0 | 0 | 0 | 0 | 106.8 | P454 G458 | P454-T456 PolarHBondContact O-N 2.94Å; T456-G458 PolarHBondContact O-N 3.09Å |
| 457 | R | 47.2 | Very low | 45.3 | Very low | 236 Ų | 236 | 152 Ų | 152 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | | | trans | -59.9 | 106.7 | -178.3 | -161.8 | -179.3 | -162.5 | 170.3 | 3.8 | 106.7 | R455 V459 | R455-R457 PolarHBondContact O-N 3.39Å; R457-V459 PolarHBondContact O-N 2.95Å; R457-V459 VanDerWaalsContact O-N 3.14Å |
| 458 | G | 42.8 | Very low | 43.9 | Very low | 59 Ų | 59 | 149 Ų | 149 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | | | trans | -54.4 | 124.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | T456 T460 | T456-G458 PolarHBondContact O-N 3.09Å; G458-T460 VanDerWaalsContact C-N 3.3Å; G458-T460 PolarHBondContact O-N 3.3Å |
| 459 | V | 45.2 | Very low | 42.8 | Very low | 121 Ų | 121 | 149 Ų | 149 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | | | trans | -67.2 | 102.2 | 164.7 | 178 | 0 | 0 | 0 | 0 | 104.6 | R457 L461 | R457-V459 PolarHBondContact O-N 2.95Å; R457-V459 VanDerWaalsContact O-N 3.14Å; V459-L461 HydrophobicContact CG1-CD2 3.85Å; V459-L461 HydrophobicContact CG1-CG 4.13Å; V459-L461 PolarHBondContact O-N 3.26Å |
| 460 | T | 39.5 | Very low | 41.9 | Very low | 100 Ų | 100 | 142.4 Ų | 142.4 | 61% | 0.613 | 76% | 0.763 | S | S | * | * | | | trans | -65.1 | 91.2 | 164.7 | -52 | 0 | 0 | 0 | 0 | 105.9 | G458 H462 | G458-T460 VanDerWaalsContact C-N 3.3Å; G458-T460 PolarHBondContact O-N 3.3Å; T460-H462 WeakPolarHBondContact CG2-NE2 3.44Å; T460-H462 PolarHBondContact O-CD2 3.03Å; T460-H462 PolarHBondContact O-N 3.16Å |
| 461 | L | 43.7 | Very low | 41.1 | Very low | 124 Ų | 124 | 143 Ų | 143 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | | | trans | -64.2 | 88.7 | 161.2 | -68.8 | 178.1 | 0 | 0 | 0 | 105.7 | V459 F463 | V459-L461 HydrophobicContact CG1-CD2 3.85Å; V459-L461 HydrophobicContact CG1-CG 4.13Å; V459-L461 PolarHBondContact O-N 3.26Å; L461-F463 HydrophobicContact CB-CD2 4.23Å; L461-F463 HydrophobicContact CB-CE2 4.09Å; L461-F463 HydrophobicContact CD1-CE2 4.48Å; L461-F463 PolarHBondContact O-N 2.99Å |
| 462 | H | 42.5 | Very low | 40.6 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 70% | 0.704 | 77% | 0.767 | S | S | * | * | | | trans | -62 | 92.6 | 159.7 | -72.2 | -90.5 | 0 | 0 | 0 | 105.7 | T460 T464 | T460-H462 WeakPolarHBondContact CG2-NE2 3.44Å; T460-H462 PolarHBondContact O-CD2 3.03Å; T460-H462 PolarHBondContact O-N 3.16Å; H462-T464 PolarHBondContact O-N 3.42Å |
| 463 | F | 40.2 | Very low | 39.6 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | | | trans | -62.2 | 82.6 | 157.4 | -77.4 | -90.7 | 0 | 0 | 0 | 106.5 | L461 | L461-F463 HydrophobicContact CB-CD2 4.23Å; L461-F463 HydrophobicContact CB-CE2 4.09Å; L461-F463 HydrophobicContact CD1-CE2 4.48Å; L461-F463 PolarHBondContact O-N 2.99Å |
| 464 | T | 42.3 | Very low | 39.2 | Very low | 94 Ų | 94 | 144.2 Ų | 144.2 | 58% | 0.577 | 76% | 0.76 | S | S | * | * | | | trans | -56 | 129.4 | 157 | 42.1 | 0 | 0 | 0 | 0 | 106.1 | H462 W466 | H462-T464 PolarHBondContact O-N 3.42Å; T464-W466 PolarHBondContact O-N 3.05Å |
| 465 | P | 36.8 | Very low | 38.6 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | | | trans | -54.9 | 111.6 | 170.3 | -26 | 35.5 | 0 | 0 | 0 | 108.3 | | |
| 466 | W | 33.6 | Very low | 38.2 | Very low | 229 Ų | 229 | 143.7 Ų | 143.7 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | | | trans | -58.3 | 150.8 | 163.5 | -81.4 | 34.9 | 0 | 0 | 0 | 107.4 | T464 S468 | T464-W466 PolarHBondContact O-N 3.05Å; W466-S468 VanDerWaalsContact C-N 3.3Å; W466-S468 PolarHBondContact O-N 3.21Å |
| 467 | R | 35.6 | Very low | 37.5 | Very low | 236 Ų | 236 | 141.1 Ų | 141.1 | 89% | 0.891 | 76% | 0.757 | S | S | * | * | | | trans | -61.3 | 86.1 | -167.2 | -71.9 | -76.8 | -169.7 | -112.1 | 1.1 | 111.8 | V469 | R467-V469 PolarHBondContact O-N 3.46Å; R467-V469 VanDerWaalsContact O-N 3.08Å |
| 468 | S | 29.1 | Very low | 37.4 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | | | trans | -62.3 | 106.7 | 156.1 | 54.3 | 0 | 0 | 0 | 0 | 106.5 | W466 A470 | W466-S468 VanDerWaalsContact C-N 3.3Å; W466-S468 PolarHBondContact O-N 3.21Å; S468-A470 VanDerWaalsContact C-N 3.26Å; S468-A470 PolarHBondContact O-N 3.29Å |
| 469 | V | 35.3 | Very low | 37.3 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | | | trans | -64.5 | 97.5 | 162.7 | 175.8 | 0 | 0 | 0 | 0 | 105.6 | R467 E471 | R467-V469 PolarHBondContact O-N 3.46Å; R467-V469 VanDerWaalsContact O-N 3.08Å; V469-E471 PolarHBondContact O-N 3.14Å |
| 470 | A | 34.1 | Very low | 37.3 | Very low | 87 Ų | 87 | 140.8 Ų | 140.8 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | | | trans | -70.6 | 112.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | S468 A472 | S468-A470 VanDerWaalsContact C-N 3.26Å; S468-A470 PolarHBondContact O-N 3.29Å; A470-A472 PolarHBondContact O-N 2.86Å |
| 471 | E | 33 | Very low | 37.4 | Very low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -54.8 | 132.2 | 166.4 | -72.2 | -171.3 | 114.2 | 0 | 0 | 108.8 | V469 H473 | V469-E471 PolarHBondContact O-N 3.14Å; E471-H473 PolarHBondContact O-N 3.29Å |
| 472 | A | 32.7 | Very low | 37.1 | Very low | 93 Ų | 93 | 144.3 Ų | 144.3 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | -74.9 | 76.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | A470 V474 | A470-A472 PolarHBondContact O-N 2.86Å; A472-V474 PolarHBondContact O-N 3.16Å |
| 473 | H | 31 | Very low | 36.9 | Very low | 162 Ų | 162 | 143 Ų | 143 | 75% | 0.75 | 80% | 0.795 | S | S | * | * | | | trans | -62.1 | 119.6 | 164.4 | 90.4 | -80.3 | 0 | 0 | 0 | 107.4 | E471 | E471-H473 PolarHBondContact O-N 3.29Š|
| 474 | V | 41 | Very low | 36.7 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | | | trans | -94.8 | 105.9 | 177.6 | -175.7 | 0 | 0 | 0 | 0 | 106.5 | A472 | A472-V474 PolarHBondContact O-N 3.16Š|
| 475 | E | 34.2 | Very low | 36.7 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | | | trans | -137.3 | 156.2 | 167.5 | -104.5 | -63.2 | 170.1 | 0 | 0 | 110 | | |
| 476 | E | 35.7 | Very low | 37.1 | Very low | 182 Ų | 182 | 140.2 Ų | 140.2 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | | | trans | -117.5 | 120.2 | -150.1 | -167 | 172.3 | -170.7 | 0 | 0 | 111.6 | | |
| 477 | G | 32.5 | Very low | 37.8 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | | | trans | 61.1 | 109 | 159.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 478 | S | 44.5 | Very low | 38.2 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -152.7 | 118.3 | 138.7 | -149 | 0 | 0 | 0 | 0 | 112.6 | | |
| 479 | E | 40.9 | Very low | 39.1 | Very low | 187 Ų | 187 | 132.8 Ų | 132.8 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -74.1 | 135.4 | 163.6 | 62.8 | -158 | 124.2 | 0 | 0 | 109.7 | | |
| 480 | S | 44.7 | Very low | 39.7 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -162.5 | 90.1 | 172.3 | -82.2 | 0 | 0 | 0 | 0 | 111.4 | T482 | S480-T482 PolarHBondContact O-N 3.11Š|
| 481 | D | 42.2 | Very low | 40.7 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | | | trans | -68.3 | 116.4 | 164.9 | -77.1 | -63.1 | 0 | 0 | 0 | 110.7 | | |
| 482 | T | 36.5 | Very low | 42 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | | | trans | -132.2 | 83.5 | 162 | 58.9 | 0 | 0 | 0 | 0 | 111.6 | S480 | S480-T482 PolarHBondContact O-N 3.11Š|
| 483 | S | 39.4 | Very low | 43.1 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -72.9 | 130.6 | 152.5 | -71.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 484 | S | 36.6 | Very low | 44 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | | | trans | -151.5 | 130.2 | 158.2 | -132.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 485 | S | 42 | Very low | 44.5 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | | | trans | -92.5 | 149.8 | 168.7 | 176.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 486 | S | 44.3 | Very low | 45.1 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -137.7 | 95.6 | 167.5 | -66.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 487 | Q | 48.1 | Very low | 45.4 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 85% | 0.85 | 84% | 0.836 | S | S | * | * | | | trans | -95.1 | 127.9 | 157.3 | -74.6 | -175.7 | -26.7 | 0 | 0 | 108.5 | | |
| 488 | T | 45.4 | Very low | 46 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 75% | 0.748 | 84% | 0.839 | S | S | * | * | | | trans | -142.7 | 112.4 | 160.5 | 49.5 | 0 | 0 | 0 | 0 | 105.4 | | |
| 489 | S | 47.1 | Very low | 46.1 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 72% | 0.72 | 84% | 0.84 | S | S | * | * | | | | 53.4 | 93.9 | 64.5 | 80.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 490 | D | 48.7 | Very low | 46.4 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 78% | 0.781 | 84% | 0.838 | S | S | * | * | | | | 90.2 | 101.2 | 74.5 | -178 | 31 | 0 | 0 | 0 | 109.7 | | |
| 491 | D | 54.6 | Low | 46.5 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 91% | 0.909 | 85% | 0.845 | S | S | * | * | | | trans | -166.4 | 70.5 | 177.9 | -128.6 | -18.7 | 0 | 0 | 0 | 108.6 | | |
| 492 | D | 60.1 | Low | 46.8 | Very low | 151 Ų | 151 | 143.3 Ų | 143.3 | 81% | 0.807 | 84% | 0.842 | S | S | * | * | | | trans | -93.8 | 137.3 | -179.1 | -100.9 | -37.5 | 0 | 0 | 0 | 113.4 | | |
| 493 | D | 54.9 | Low | 47.5 | Very low | 129 Ų | 129 | 144 Ų | 144 | 69% | 0.69 | 84% | 0.844 | S | S | * | * | | | trans | 52.3 | 95.7 | 162.6 | -105.2 | -41.4 | 0 | 0 | 0 | 121.6 | T495 | D493-T495 HydrophobicContact CB-CG2 4.43Å; D493-T495 PolarHBondContact O-N 2.93Å |
| 494 | C | 50 | Low | 48 | Very low | 139 Ų | 139 | 145.5 Ų | 145.5 | 94% | 0.939 | 84% | 0.843 | S | S | * | * | | | trans | -71.3 | 84 | 154.9 | -88 | 0 | 0 | 0 | 0 | 112.3 | | |
| 495 | T | 52.1 | Low | 48.9 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 75% | 0.748 | 84% | 0.844 | S | S | * | * | | | trans | -102 | 96.9 | 169.2 | 55 | 0 | 0 | 0 | 0 | 113 | D493 | D493-T495 HydrophobicContact CB-CG2 4.43Å; D493-T495 PolarHBondContact O-N 2.93Å |
| 496 | R | 47.6 | Very low | 49.5 | Very low | 249 Ų | 249 | 151.3 Ų | 151.3 | 94% | 0.94 | 85% | 0.854 | S | S | * | * | | | trans | -85.3 | 113.9 | 172.3 | 169.7 | -162.4 | 175.1 | -169.3 | 0.9 | 110.7 | | |
| 497 | S | 40.9 | Very low | 50 | Low | 187 Ų | 187 | 154.5 Ų | 154.5 | 100% | 1.308 | 86% | 0.858 | S | S | * | * | | | trans | -161.5 | 0 | 144.7 | -166 | 0 | 0 | 0 | 0 | 113.1 | | |