| 1 | M | 48.2 | Very low | 64.9 | Low | 248 Ų | 248 | 139.7 Ų | 139.7 | 100% | 1.222 | 82% | 0.818 | S | S | * | * | | | | 0 | 126.4 | 0 | -74.6 | -168.5 | -73.4 | 0 | 0 | 109 | | |
| 2 | G | 50.1 | Low | 64.9 | Low | 80 Ų | 80 | 143.7 Ų | 143.7 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | | | trans | 83.8 | 66.2 | 154 | 0 | 0 | 0 | 0 | 0 | 119 | R4 | G2-R4 PolarHBondContact O-N 2.97Š|
| 3 | G | 51.6 | Low | 64.9 | Low | 82 Ų | 82 | 142.5 Ų | 142.5 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | | | trans | -72.9 | 115.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | S5 | G3-S5 PolarHBondContact O-N 3.25Å; G3-S5 VanDerWaalsContact O-N 3.15Å |
| 4 | R | 62.2 | Low | 64.4 | Low | 248 Ų | 248 | 138.7 Ų | 138.7 | 94% | 0.936 | 81% | 0.814 | S | S | * | * | | | trans | -54.2 | 115 | -178.8 | -78.4 | 171.5 | 154.6 | 167.4 | -7.4 | 110.6 | G2 G6 | G2-R4 PolarHBondContact O-N 2.97Å; R4-G6 VanDerWaalsContact C-N 3.33Å; R4-G6 PolarHBondContact O-N 2.96Å |
| 5 | S | 68.1 | Low | 63.9 | Low | 110 Ų | 110 | 141.8 Ų | 141.8 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | | | trans | -71 | 90.4 | 165.4 | 47.1 | 0 | 0 | 0 | 0 | 108.8 | G3 K7 | G3-S5 PolarHBondContact O-N 3.25Å; G3-S5 VanDerWaalsContact O-N 3.15Å; S5-K7 PolarHBondContact O-N 2.89Å; S5-K7 VanDerWaalsContact O-N 3.14Å |
| 6 | G | 64.1 | Low | 63.5 | Low | 75 Ų | 75 | 145.3 Ų | 145.3 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | | | trans | -64.3 | 111 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | R4 F8 | R4-G6 VanDerWaalsContact C-N 3.33Å; R4-G6 PolarHBondContact O-N 2.96Å; G6-F8 PolarHBondContact O-N 2.99Å |
| 7 | K | 73.9 | Confident | 62.8 | Low | 186 Ų | 186 | 144.2 Ų | 144.2 | 81% | 0.809 | 82% | 0.818 | S | S | * | * | | | trans | -76.1 | 111.4 | 170.3 | -60.6 | -166.5 | -179 | -174.8 | 0 | 107.5 | S5 V9 | S5-K7 PolarHBondContact O-N 2.89Å; S5-K7 VanDerWaalsContact O-N 3.14Å; K7-V9 PolarHBondContact O-N 3.03Å |
| 8 | F | 71.3 | Confident | 62.2 | Low | 183 Ų | 183 | 147.3 Ų | 147.3 | 80% | 0.803 | 82% | 0.824 | S | S | * | * | | | trans | -65.6 | 114.4 | 171.6 | -173.8 | -103.3 | 0 | 0 | 0 | 108.4 | G6 V10 | G6-F8 PolarHBondContact O-N 2.99Å; F8-V10 HydrophobicContact CD1-CG2 3.81Å; F8-V10 HydrophobicContact CE1-CG2 3.81Å |
| 9 | V | 77.8 | Confident | 61.5 | Low | 124 Ų | 124 | 147.7 Ų | 147.7 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | | | trans | -91.5 | 110.8 | 176 | 177.9 | 0 | 0 | 0 | 0 | 107.4 | K7 | K7-V9 PolarHBondContact O-N 3.03Š|
| 10 | V | 74.9 | Confident | 60.9 | Low | 96 Ų | 96 | 145 Ų | 145 | 58% | 0.582 | 82% | 0.815 | S | S | * | * | | | trans | -74.4 | 128.1 | 173.4 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | F8 H12 | F8-V10 HydrophobicContact CD1-CG2 3.81Å; F8-V10 HydrophobicContact CE1-CG2 3.81Å; V10-H12 PolarHBondContact O-N 2.84Å |
| 11 | P | 71.2 | Confident | 60.4 | Low | 105 Ų | 105 | 146.5 Ų | 146.5 | 68% | 0.682 | 82% | 0.821 | S | S | * | * | | | trans | -60.2 | 126.7 | 174.1 | -19.4 | 30.3 | 0 | 0 | 0 | 110.7 | T13 | P11-T13 PolarHBondContact O-N 2.82Å; P11-T13 VanDerWaalsContact O-N 3.17Å |
| 12 | H | 65.5 | Low | 60.4 | Low | 187 Ų | 187 | 145.5 Ų | 145.5 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | | | trans | -67.6 | 111 | 168.2 | -71.5 | -78.2 | 0 | 0 | 0 | 108.5 | V10 A14 | V10-H12 PolarHBondContact O-N 2.84Å; H12-A14 PolarHBondContact O-N 2.97Å |
| 13 | T | 65.2 | Low | 60.4 | Low | 128 Ų | 128 | 150.4 Ų | 150.4 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -69.4 | 114.1 | 164.6 | 48.3 | 0 | 0 | 0 | 0 | 107.5 | P11 E15 | P11-T13 PolarHBondContact O-N 2.82Å; P11-T13 VanDerWaalsContact O-N 3.17Å; T13-E15 PolarHBondContact O-N 3.14Å |
| 14 | A | 57.8 | Low | 60.4 | Low | 90 Ų | 90 | 152.3 Ų | 152.3 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | | | trans | -58.7 | 109.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109 | H12 K16 | H12-A14 PolarHBondContact O-N 2.97Å; A14-K16 PolarHBondContact O-N 3.11Å |
| 15 | E | 56.7 | Low | 59.9 | Low | 185 Ų | 185 | 147.8 Ų | 147.8 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -58.2 | 100.8 | 165.1 | -73.5 | -179.2 | 155.9 | 0 | 0 | 107.6 | T13 T17 | T13-E15 PolarHBondContact O-N 3.14Å; E15-T17 PolarHBondContact O-N 3.03Å |
| 16 | K | 57.8 | Low | 58.9 | Low | 197 Ų | 197 | 149 Ų | 149 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | | | trans | -82.2 | 103.2 | 161.2 | -75.9 | -165 | 176.2 | -175.7 | 0 | 106.5 | A14 E18 | A14-K16 PolarHBondContact O-N 3.11Å; K16-E18 PolarHBondContact O-N 2.79Å |
| 17 | T | 50.4 | Low | 58.3 | Low | 128 Ų | 128 | 152.7 Ų | 152.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -45.4 | 132.1 | 168.9 | 37 | 0 | 0 | 0 | 0 | 111 | E15 D19 | E15-T17 PolarHBondContact O-N 3.03Å; T17-D19 PolarHBondContact O-N 3.37Å |
| 18 | E | 52.1 | Low | 57.1 | Low | 200 Ų | 200 | 152 Ų | 152 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | | | trans | -37.7 | 115.4 | 164.9 | -60.1 | 166.3 | 171.2 | 0 | 0 | 110.5 | K16 | K16-E18 PolarHBondContact O-N 2.79Š|
| 19 | D | 48.7 | Very low | 55.9 | Low | 155 Ų | 155 | 151.9 Ų | 151.9 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | | | trans | -131.7 | 124.7 | 164 | -150.7 | -5.9 | 0 | 0 | 0 | 109.6 | T17 | T17-D19 PolarHBondContact O-N 3.37Š|
| 20 | S | 49.4 | Very low | 54.6 | Low | 92 Ų | 92 | 152.4 Ų | 152.4 | 64% | 0.643 | 80% | 0.802 | S | S | * | * | | | trans | 70.5 | 79.2 | 168.2 | -125.8 | 0 | 0 | 0 | 0 | 117 | R22 | S20-R22 PolarHBondContact O-N 3.25Š|
| 21 | L | 50.7 | Low | 53.2 | Low | 177 Ų | 177 | 157 Ų | 157 | 93% | 0.927 | 81% | 0.814 | S | S | * | * | | | trans | -49.7 | 87.8 | 138.4 | -84.6 | 151.5 | 0 | 0 | 0 | 108.2 | K23 | L21-K23 PolarHBondContact O-N 3.25Š|
| 22 | R | 49.6 | Very low | 52 | Low | 227 Ų | 227 | 156.2 Ų | 156.2 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | | | trans | -60.4 | 112.7 | 162.5 | -81.8 | -174 | -163.3 | 154 | 7.1 | 105.9 | S20 | S20-R22 PolarHBondContact O-N 3.25Š|
| 23 | K | 49.7 | Very low | 51.2 | Low | 184 Ų | 184 | 155 Ų | 155 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 130 | 170.7 | -65.8 | -179.2 | 177.9 | -179.5 | 0 | 107.4 | L21 D25 | L21-K23 PolarHBondContact O-N 3.25Å; K23-D25 PolarHBondContact O-N 3.18Å; K23-D25 VanDerWaalsContact O-N 3.11Å |
| 24 | P | 51.4 | Low | 50.3 | Low | 122 Ų | 122 | 156.3 Ų | 156.3 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 120.2 | 170.8 | 24.3 | -31 | 0 | 0 | 0 | 107.3 | T26 | P24-T26 PolarHBondContact O-N 2.78Š|
| 25 | D | 51.9 | Low | 49.8 | Very low | 152 Ų | 152 | 155.8 Ų | 155.8 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 128.1 | 171.6 | -78.3 | -45.6 | 0 | 0 | 0 | 108.6 | K23 I27 | K23-D25 PolarHBondContact O-N 3.18Å; K23-D25 VanDerWaalsContact O-N 3.11Å; D25-I27 PolarHBondContact O-N 2.99Å; D25-I27 VanDerWaalsContact O-N 3.14Å |
| 26 | T | 47.7 | Very low | 49.2 | Very low | 135 Ų | 135 | 155.4 Ų | 155.4 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | | | trans | -21.3 | 107.6 | 170.3 | 12.9 | 0 | 0 | 0 | 0 | 113.4 | P24 E28 | P24-T26 PolarHBondContact O-N 2.78Å; T26-E28 PolarHBondContact O-N 3.45Å |
| 27 | I | 49.7 | Very low | 48.4 | Very low | 153 Ų | 153 | 153.7 Ų | 153.7 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -63.6 | 103.2 | 162.1 | -61.1 | 169 | 0 | 0 | 0 | 105.7 | D25 Q29 | D25-I27 PolarHBondContact O-N 2.99Å; D25-I27 VanDerWaalsContact O-N 3.14Å; I27-Q29 PolarHBondContact O-N 2.88Å |
| 28 | E | 49.2 | Very low | 48 | Very low | 171 Ų | 171 | 152.6 Ų | 152.6 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | | | trans | -55.5 | 107.3 | 168.3 | -139.5 | 177.1 | -170.4 | 0 | 0 | 106.4 | T26 V30 | T26-E28 PolarHBondContact O-N 3.45Å; E28-V30 VanDerWaalsContact C-N 3.26Å; E28-V30 PolarHBondContact O-N 2.96Å |
| 29 | Q | 47.3 | Very low | 47.6 | Very low | 182 Ų | 182 | 147.8 Ų | 147.8 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | | | trans | -65.8 | 95 | 175.6 | -66.9 | -177.9 | 20.1 | 0 | 0 | 106.6 | I27 K31 | I27-Q29 PolarHBondContact O-N 2.88Å; Q29-K31 VanDerWaalsContact C-N 3.27Å; Q29-K31 PolarHBondContact O-N 2.74Å |
| 30 | V | 49.3 | Very low | 47 | Very low | 134 Ų | 134 | 149 Ų | 149 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | trans | -62.3 | 100.2 | 168.2 | -173.1 | 0 | 0 | 0 | 0 | 105.5 | E28 A32 | E28-V30 VanDerWaalsContact C-N 3.26Å; E28-V30 PolarHBondContact O-N 2.96Å; V30-A32 PolarHBondContact O-N 3.48Å |
| 31 | K | 45.2 | Very low | 46.7 | Very low | 192 Ų | 192 | 151.5 Ų | 151.5 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | -51.9 | 112 | 177.7 | -161.6 | 175.8 | -173.3 | -177.8 | 0 | 107.2 | Q29 L33 | Q29-K31 VanDerWaalsContact C-N 3.27Å; Q29-K31 PolarHBondContact O-N 2.74Å; K31-L33 PolarHBondContact O-N 3.23Å |
| 32 | A | 47.8 | Very low | 46.2 | Very low | 89 Ų | 89 | 147 Ų | 147 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | | | trans | -54.4 | 113.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | V30 D34 | V30-A32 PolarHBondContact O-N 3.48Å; A32-D34 PolarHBondContact O-N 3.12Å |
| 33 | L | 48.4 | Very low | 45.7 | Very low | 161 Ų | 161 | 142 Ų | 142 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | | | trans | -68 | 89.9 | 167.8 | -97 | 159 | 0 | 0 | 0 | 106.5 | K31 S35 | K31-L33 PolarHBondContact O-N 3.23Å; L33-S35 PolarHBondContact O-N 3.48Å |
| 34 | D | 46 | Very low | 45.2 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | | | trans | -62.8 | 88.7 | 156.4 | -111.3 | -12.5 | 0 | 0 | 0 | 106.8 | A32 | A32-D34 PolarHBondContact O-N 3.12Š|
| 35 | S | 46.8 | Very low | 44.9 | Very low | 80 Ų | 80 | 141 Ų | 141 | 56% | 0.559 | 77% | 0.769 | S | S | * | * | | | trans | -129 | 93.8 | 158.3 | 68.6 | 0 | 0 | 0 | 0 | 107.1 | L33 Q37 | L33-S35 PolarHBondContact O-N 3.48Å; S35-Q37 PolarHBondContact O-N 3.33Å |
| 36 | E | 43.9 | Very low | 44.4 | Very low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | | | trans | -54.9 | 70.4 | 157.5 | -58 | 175.9 | 138.7 | 0 | 0 | 109.3 | S38 | E36-S38 PolarHBondContact O-N 2.95Š|
| 37 | Q | 41.9 | Very low | 44.6 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | | | trans | -78.5 | 72 | 158.8 | -80.7 | -160.6 | 0.4 | 0 | 0 | 107.5 | S35 V39 | S35-Q37 PolarHBondContact O-N 3.33Å; Q37-V39 HydrophobicContact CB-CG2 4.2Å; Q37-V39 PolarHBondContact O-N 2.9Å |
| 38 | S | 42.4 | Very low | 44.2 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -66.1 | 67.1 | 156 | 48.5 | 0 | 0 | 0 | 0 | 108.3 | E36 Q40 | E36-S38 PolarHBondContact O-N 2.95Å; S38-Q40 VanDerWaalsContact C-N 3.31Å; S38-Q40 PolarHBondContact O-N 3.47Å |
| 39 | V | 42.9 | Very low | 43.9 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 61% | 0.606 | 78% | 0.775 | S | S | * | * | | | trans | -74.3 | 96.6 | 168.6 | 179.7 | 0 | 0 | 0 | 0 | 106.3 | Q37 L41 | Q37-V39 HydrophobicContact CB-CG2 4.2Å; Q37-V39 PolarHBondContact O-N 2.9Å; V39-L41 VanDerWaalsContact C-N 3.27Å; V39-L41 HydrophobicContact CG1-CG 4.39Å; V39-L41 PolarHBondContact O-N 2.85Å |
| 40 | Q | 36.1 | Very low | 43.4 | Very low | 181 Ų | 181 | 138.4 Ų | 138.4 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | trans | -42.4 | 93.5 | 154.1 | -86.7 | 164.7 | -32.4 | 0 | 0 | 109.5 | S38 A42 | S38-Q40 VanDerWaalsContact C-N 3.31Å; S38-Q40 PolarHBondContact O-N 3.47Å; Q40-A42 PolarHBondContact O-N 2.85Å |
| 41 | L | 42.7 | Very low | 42.8 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | | | trans | -93.7 | 72.8 | 154.1 | -87 | 162.1 | 0 | 0 | 0 | 106.7 | V39 D43 | V39-L41 VanDerWaalsContact C-N 3.27Å; V39-L41 HydrophobicContact CG1-CG 4.39Å; V39-L41 PolarHBondContact O-N 2.85Å; L41-D43 VanDerWaalsContact C-N 3.28Å |
| 42 | A | 40.8 | Very low | 42.5 | Very low | 82 Ų | 82 | 140.9 Ų | 140.9 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | | | trans | -95.1 | 66.2 | 159.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | Q40 | Q40-A42 PolarHBondContact O-N 2.85Š|
| 43 | D | 39.2 | Very low | 42.5 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | | | trans | -114.2 | 91.8 | 170.3 | -79.7 | -29.4 | 0 | 0 | 0 | 108.2 | L41 V45 | L41-D43 VanDerWaalsContact C-N 3.28Å; D43-V45 PolarHBondContact O-N 2.93Å; D43-V45 VanDerWaalsContact O-N 3.07Å |
| 44 | D | 38.3 | Very low | 42.2 | Very low | 152 Ų | 152 | 146.8 Ų | 146.8 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | | 36 | 66.2 | 128.4 | -67.3 | -14.7 | 0 | 0 | 0 | 117 | K46 | D44-K46 PolarHBondContact O-N 3.07Š|
| 45 | V | 46.5 | Very low | 41.8 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | | | trans | -76.7 | 83.7 | 152.6 | -173.7 | 0 | 0 | 0 | 0 | 107.3 | D43 L47 | D43-V45 PolarHBondContact O-N 2.93Å; D43-V45 VanDerWaalsContact O-N 3.07Å; V45-L47 PolarHBondContact O-N 2.85Å |
| 46 | K | 40.1 | Very low | 41.4 | Very low | 193 Ų | 193 | 146.8 Ų | 146.8 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | trans | -51.9 | 93.2 | 171 | -146.6 | 177.4 | -171.2 | -173.9 | 0 | 108.8 | D44 E48 | D44-K46 PolarHBondContact O-N 3.07Å; K46-E48 VanDerWaalsContact C-N 3.32Å; K46-E48 PolarHBondContact O-N 2.89Å |
| 47 | L | 51.6 | Low | 41 | Very low | 151 Ų | 151 | 143.7 Ų | 143.7 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | trans | -70.3 | 96.9 | 167.3 | -66.4 | 178.5 | 0 | 0 | 0 | 107.3 | V45 N49 | V45-L47 PolarHBondContact O-N 2.85Å; L47-N49 PolarHBondContact O-N 3.35Å |
| 48 | E | 41.4 | Very low | 40.9 | Very low | 176 Ų | 176 | 144.7 Ų | 144.7 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -53.9 | 101.1 | 168.4 | 177 | -170.9 | 150.3 | 0 | 0 | 109.8 | K46 G50 | K46-E48 VanDerWaalsContact C-N 3.32Å; K46-E48 PolarHBondContact O-N 2.89Å; E48-G50 PolarHBondContact O-N 3.26Å |
| 49 | N | 42.6 | Very low | 40.5 | Very low | 166 Ų | 166 | 148.7 Ų | 148.7 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | | | trans | -72 | 112.9 | 162.1 | -83.4 | -21.3 | 0 | 0 | 0 | 108.3 | L47 | L47-N49 PolarHBondContact O-N 3.35Š|
| 50 | G | 37.1 | Very low | 40.2 | Very low | 53 Ų | 53 | 152.9 Ų | 152.9 | 55% | 0.546 | 80% | 0.801 | S | S | . | * | | | trans | -160.8 | 38.4 | -171 | 0 | 0 | 0 | 0 | 0 | 118.2 | E48 | E48-G50 PolarHBondContact O-N 3.26Š|
| 51 | H | 37.5 | Very low | 40.1 | Very low | 176 Ų | 176 | 151 Ų | 151 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | | | trans | -151.9 | 102.3 | 149.3 | -116.5 | -54.9 | 0 | 0 | 0 | 112.1 | | |
| 52 | K | 38.8 | Very low | 40 | Very low | 202 Ų | 202 | 152.8 Ų | 152.8 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | | | trans | -86 | 97.4 | 164.8 | -72.6 | -177.4 | 176.6 | 179.6 | 0 | 107.4 | | |
| 53 | E | 48.2 | Very low | 39.8 | Very low | 171 Ų | 171 | 157.8 Ų | 157.8 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | | | trans | -77.5 | 126.1 | 160.7 | -70.4 | -173 | 163.6 | 0 | 0 | 108.3 | C55 | E53-C55 PolarHBondContact O-N 3.48Š|
| 54 | K | 40.8 | Very low | 39.3 | Very low | 202 Ų | 202 | 161 Ų | 161 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | | | trans | -76.7 | 100.9 | 178.4 | -64.8 | -170 | 178.8 | -174.1 | 0 | 107.9 | S56 | K54-S56 PolarHBondContact O-N 3.23Š|
| 55 | C | 38.3 | Very low | 39.3 | Very low | 129 Ų | 129 | 161.8 Ų | 161.8 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | | | trans | -70.9 | 109.2 | 160.4 | -76.9 | 0 | 0 | 0 | 0 | 108 | E53 S57 | E53-C55 PolarHBondContact O-N 3.48Å; C55-S57 PolarHBondContact O-N 3.01Å |
| 56 | S | 37.7 | Very low | 39.2 | Very low | 107 Ų | 107 | 161.9 Ų | 161.9 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | | | trans | -66.1 | 122.3 | 168.9 | 48.8 | 0 | 0 | 0 | 0 | 109.3 | K54 | K54-S56 PolarHBondContact O-N 3.23Š|
| 57 | S | 35.8 | Very low | 38.9 | Very low | 112 Ų | 112 | 156.3 Ų | 156.3 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | | | trans | -84.5 | 100.6 | 167.7 | 50.5 | 0 | 0 | 0 | 0 | 109 | C55 | C55-S57 PolarHBondContact O-N 3.01Š|
| 58 | E | 39.8 | Very low | 38.8 | Very low | 182 Ų | 182 | 155.6 Ų | 155.6 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | | | trans | -98.2 | 95.5 | 152.9 | -67.7 | 178.8 | 156 | 0 | 0 | 104.2 | | |
| 59 | E | 34.8 | Very low | 39.2 | Very low | 188 Ų | 188 | 152.3 Ų | 152.3 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | | | | 41 | 88.3 | 97.5 | -74.6 | -165.9 | 167.1 | 0 | 0 | 113 | | |
| 60 | E | 37.2 | Very low | 39.2 | Very low | 188 Ų | 188 | 149.8 Ų | 149.8 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | | -163.6 | 133.7 | 122.2 | -135.7 | 170.6 | 167.1 | 0 | 0 | 111.8 | | |
| 61 | N | 33.5 | Very low | 39.7 | Very low | 143 Ų | 143 | 155.4 Ų | 155.4 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | | | trans | -58.7 | 143.2 | -179.7 | -60 | -87.5 | 0 | 0 | 0 | 112.1 | | |
| 62 | H | 41.1 | Very low | 40.2 | Very low | 180 Ų | 180 | 151.7 Ų | 151.7 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | | | trans | -156.9 | 111.2 | 135.3 | -95.7 | 16 | 0 | 0 | 0 | 109.9 | | |
| 63 | E | 35.6 | Very low | 40.5 | Very low | 187 Ų | 187 | 149.4 Ų | 149.4 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | 52.9 | 129.7 | 146.9 | -69.3 | 176.7 | 151.1 | 0 | 0 | 122.3 | | |
| 64 | Q | 29.7 | Very low | 40.4 | Very low | 191 Ų | 191 | 146 Ų | 146 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | | | trans | -77.1 | -176.4 | 178.3 | -69 | 169.6 | -48.5 | 0 | 0 | 112.6 | | |
| 65 | E | 36.7 | Very low | 40.6 | Very low | 168 Ų | 168 | 141.4 Ų | 141.4 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | 86.9 | 118.9 | 172 | -85.5 | -165.4 | 102.1 | 0 | 0 | 114.9 | | |
| 66 | N | 45 | Very low | 41 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | | | cis | -149.9 | 122.1 | 13.7 | -89.2 | -58.9 | 0 | 0 | 0 | 107.9 | | |
| 67 | G | 34.4 | Very low | 41.1 | Very low | 76 Ų | 76 | 146.3 Ų | 146.3 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | | | trans | -78.9 | 122.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 68 | D | 49.1 | Very low | 41.4 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | -116.1 | 89.4 | 155.3 | -171.4 | 19.5 | 0 | 0 | 0 | 108.3 | T70 | D68-T70 VanDerWaalsContact C-N 3.35Å; D68-T70 PolarHBondContact O-N 3.32Å |
| 69 | V | 50.2 | Low | 41.8 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 66% | 0.655 | 76% | 0.76 | S | S | * | * | | | trans | -90.1 | 75 | 180 | -178.1 | 0 | 0 | 0 | 0 | 107.2 | K71 | V69-K71 HydrophobicContact CG1-CD 4.41Å; V69-K71 HydrophobicContact CG1-CG 3.5Å; V69-K71 PolarHBondContact O-N 2.97Å |
| 70 | T | 42.2 | Very low | 42.6 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 69% | 0.693 | 76% | 0.758 | S | S | * | * | | | trans | -76.8 | 80.8 | 166.7 | 45.4 | 0 | 0 | 0 | 0 | 109.2 | D68 S72 | D68-T70 VanDerWaalsContact C-N 3.35Å; D68-T70 PolarHBondContact O-N 3.32Å; T70-S72 PolarHBondContact O-N 3.23Å |
| 71 | K | 48.2 | Very low | 43.6 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 74% | 0.739 | 76% | 0.758 | S | S | * | * | | | trans | -70.9 | 79.8 | 162 | -67 | -100.3 | -176.7 | 179.1 | 0 | 107.7 | V69 D73 | V69-K71 HydrophobicContact CG1-CD 4.41Å; V69-K71 HydrophobicContact CG1-CG 3.5Å; V69-K71 PolarHBondContact O-N 2.97Å; K71-D73 VanDerWaalsContact C-N 3.34Å; K71-D73 PolarHBondContact O-N 3.02Å; K71-D73 VanDerWaalsContact O-N 3.15Å |
| 72 | S | 47.7 | Very low | 44.8 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | | | trans | -81.4 | 90.6 | 167.8 | -154 | 0 | 0 | 0 | 0 | 107.9 | T70 V74 | T70-S72 PolarHBondContact O-N 3.23Å; S72-V74 PolarHBondContact O-N 3.17Å |
| 73 | D | 44.3 | Very low | 45.9 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | | | trans | -67.8 | 69.9 | 164.6 | -84.9 | -35.5 | 0 | 0 | 0 | 108.9 | K71 | K71-D73 VanDerWaalsContact C-N 3.34Å; K71-D73 PolarHBondContact O-N 3.02Å; K71-D73 VanDerWaalsContact O-N 3.15Å |
| 74 | V | 45.8 | Very low | 47.4 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 61% | 0.606 | 76% | 0.759 | S | S | * | * | | | trans | -101.8 | 111.9 | 164.1 | -179.9 | 0 | 0 | 0 | 0 | 106.5 | S72 Q76 | S72-V74 PolarHBondContact O-N 3.17Å; V74-Q76 PolarHBondContact O-N 3.42Å |
| 75 | P | 45.4 | Very low | 49.5 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | | | trans | -65.2 | 93.8 | 170.1 | 26.5 | -30.6 | 0 | 0 | 0 | 106.9 | N77 | P75-N77 PolarHBondContact O-N 3.17Š|
| 76 | Q | 45.9 | Very low | 51.5 | Low | 177 Ų | 177 | 132.6 Ų | 132.6 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | | | trans | -64.4 | 93.3 | 164.9 | -95 | -174 | -16 | 0 | 0 | 106.6 | V74 G78 | V74-Q76 PolarHBondContact O-N 3.42Å; Q76-G78 PolarHBondContact O-N 3.17Å |
| 77 | N | 39.8 | Very low | 53.6 | Low | 162 Ų | 162 | 130.4 Ų | 130.4 | 87% | 0.866 | 73% | 0.728 | S | S | * | * | | | trans | -64.3 | 61.1 | 149.8 | -71.1 | -63.1 | 0 | 0 | 0 | 107.6 | P75 | P75-N77 PolarHBondContact O-N 3.17Š|
| 78 | G | 42.4 | Very low | 56.3 | Low | 45 Ų | 45 | 130.8 Ų | 130.8 | 46% | 0.464 | 72% | 0.717 | S | S | . | * | | | trans | -107.6 | 97.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | Q76 | Q76-G78 PolarHBondContact O-N 3.17Š|
| 79 | D | 49.6 | Very low | 58.3 | Low | 145 Ų | 145 | 129.4 Ų | 129.4 | 78% | 0.775 | 71% | 0.708 | S | S | * | * | | | trans | 51.8 | 105.8 | 162.2 | -54 | -39.9 | 0 | 0 | 0 | 115.1 | K81 | D79-K81 VanDerWaalsContact C-N 3.28Å; D79-K81 WeakPolarHBondContact O-CA 3.29Å; D79-K81 PolarHBondContact O-N 2.89Å |
| 80 | A | 51.2 | Low | 60.2 | Low | 103 Ų | 103 | 127.2 Ų | 127.2 | 85% | 0.851 | 70% | 0.697 | S | S | * | * | | | trans | -39.2 | 100.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | R82 | A80-R82 PolarHBondContact O-N 3.11Š|
| 81 | K | 56.8 | Low | 62.5 | Low | 198 Ų | 198 | 126.9 Ų | 126.9 | 86% | 0.861 | 68% | 0.683 | S | S | * | * | | | trans | -52.9 | 109.5 | -173.1 | -75 | -166.2 | 178.3 | -178.2 | 0 | 104.3 | D79 A83 | D79-K81 VanDerWaalsContact C-N 3.28Å; D79-K81 WeakPolarHBondContact O-CA 3.29Å; D79-K81 PolarHBondContact O-N 2.89Å; K81-A83 PolarHBondContact O-N 3.26Å |
| 82 | R | 58.9 | Low | 64.5 | Low | 233 Ų | 233 | 123.5 Ų | 123.5 | 88% | 0.879 | 67% | 0.672 | S | S | * | * | | | trans | -43.8 | 113.5 | 176.8 | -99.6 | -176.5 | 175.1 | -178.1 | -0.2 | 104.1 | A80 K84 | A80-R82 PolarHBondContact O-N 3.11Å; R82-K84 PolarHBondContact O-N 3.03Å |
| 83 | A | 65.8 | Low | 66.4 | Low | 90 Ų | 90 | 123.5 Ų | 123.5 | 74% | 0.744 | 66% | 0.664 | S | S | * | * | | | trans | -54.9 | 103.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 104.4 | K81 K85 | K81-A83 PolarHBondContact O-N 3.26Å; A83-K85 VanDerWaalsContact C-N 3.3Å; A83-K85 PolarHBondContact O-N 2.91Å |
| 84 | K | 66.9 | Low | 68.4 | Low | 201 Ų | 201 | 123.9 Ų | 123.9 | 87% | 0.874 | 65% | 0.654 | S | S | * | * | | | trans | -60.2 | 107.1 | -175 | -78.2 | -175.9 | 177.5 | -177.6 | 0 | 102.9 | R82 G86 | R82-K84 PolarHBondContact O-N 3.03Å; K84-G86 PolarHBondContact O-N 3.18Å |
| 85 | K | 73.3 | Confident | 70.3 | Confident | 194 Ų | 194 | 127.5 Ų | 127.5 | 84% | 0.843 | 66% | 0.657 | S | S | * | * | | | trans | -59.4 | 100 | 176.7 | -74.5 | 179.6 | -179.8 | 176.9 | 0 | 103.5 | A83 | A83-K85 VanDerWaalsContact C-N 3.3Å; A83-K85 PolarHBondContact O-N 2.91Å |
| 86 | G | 79.2 | Confident | 72.3 | Confident | 42 Ų | 42 | 127.8 Ų | 127.8 | 43% | 0.433 | 65% | 0.651 | S | S | . | * | | | trans | -53.9 | 148.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 109 | K84 R91 | K84-G86 PolarHBondContact O-N 3.18Å; G86-R91 PolarHBondContact O-NH2 2.87Å |
| 87 | N | 87.4 | Confident | 74 | Confident | 88 Ų | 88 | 124.1 Ų | 124.1 | 47% | 0.471 | 65% | 0.645 | S | S | . | * | | | trans | -46.3 | 130 | -177 | -178.9 | -36.7 | 0 | 0 | 0 | 110 | I89 S90 R91 | N87-I89 PolarHBondContact O-N 2.94Å; N87-I89 WeakPolarHBondContact OD1-CB 3.34Å; N87-I89 PolarHBondContact OD1-N 3.25Å; N87-S90 PolarHBondContact O-N 3.13Å; N87-S90 VanDerWaalsContact O-N 3.1Å; N87-R91 PolarHBondContact O-N 3.47Å; N87-R91 VanDerWaalsContact O-N 3.12Å |
| 88 | P | 91.9 | Very high | 75.3 | Confident | 84 Ų | 84 | 125.6 Ų | 125.6 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -53.3 | -37.2 | -178.7 | 21.3 | -33.4 | 0 | 0 | 0 | 112.4 | R91 I92 | P88-R91 WeakPolarHBondContact O-CB 3.25Å; P88-R91 PolarHBondContact O-N 2.96Å; P88-I92 WeakPolarHBondContact O-CG1 3.26Å; P88-I92 PolarHBondContact O-N 3.33Å; P88-I92 VanDerWaalsContact O-N 3.08Å |
| 89 | I | 92.2 | Very high | 76.2 | Confident | 106 Ų | 106 | 132.8 Ų | 132.8 | 54% | 0.544 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -62.4 | -50.1 | 177.6 | -58.1 | -178.8 | 0 | 0 | 0 | 110.5 | N87 R91 I92 L93 | N87-I89 PolarHBondContact O-N 2.94Å; N87-I89 WeakPolarHBondContact OD1-CB 3.34Å; N87-I89 PolarHBondContact OD1-N 3.25Å; I89-R91 PolarHBondContact O-N 3.49Å; I89-I92 PolarHBondContact O-N 3.2Å; I89-I92 VanDerWaalsContact O-N 3.1Å; I89-L93 HydrophobicContact CG2-CD1 4.08Å; I89-L93 HydrophobicContact CG2-CG 4.36Å; I89-L93 WeakPolarHBondContact O-CG 3.21Å; I89-L93 PolarHBondContact O-N 3.39Å |
| 90 | S | 90.1 | Very high | 76.6 | Confident | 62 Ų | 62 | 129 Ų | 129 | 43% | 0.434 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -59.6 | -32.3 | 178.1 | -50.5 | 0 | 0 | 0 | 0 | 112.5 | N87 R94 | N87-S90 PolarHBondContact O-N 3.13Å; N87-S90 VanDerWaalsContact O-N 3.1Å; S90-R94 WeakPolarHBondContact O-CB 3.39Å; S90-R94 PolarHBondContact O-N 2.97Å; S90-R94 VanDerWaalsContact O-N 3.13Å |
| 91 | R | 88.8 | Confident | 77 | Confident | 106 Ų | 106 | 128.8 Ų | 128.8 | 40% | 0.4 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -70 | -40.5 | 177.2 | -163.3 | -176.3 | -56.8 | 153.4 | 8.9 | 111.9 | G86 N87 P88 I89 R95 | G86-R91 PolarHBondContact O-NH2 2.87Å; N87-R91 PolarHBondContact O-N 3.47Å; N87-R91 VanDerWaalsContact O-N 3.12Å; P88-R91 WeakPolarHBondContact O-CB 3.25Å; P88-R91 PolarHBondContact O-N 2.96Å; I89-R91 PolarHBondContact O-N 3.49Å; R91-R95 WeakPolarHBondContact O-CG 3.43Å; R91-R95 PolarHBondContact O-N 3.43Å |
| 92 | I | 91.6 | Very high | 76.9 | Confident | 99 Ų | 99 | 127.3 Ų | 127.3 | 51% | 0.508 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -66.2 | -49.3 | 176.1 | -65.5 | 163.9 | 0 | 0 | 0 | 109.9 | P88 I89 R94 R95 I96 | P88-I92 WeakPolarHBondContact O-CG1 3.26Å; P88-I92 PolarHBondContact O-N 3.33Å; P88-I92 VanDerWaalsContact O-N 3.08Å; I89-I92 PolarHBondContact O-N 3.2Å; I89-I92 VanDerWaalsContact O-N 3.1Å; I92-R94 VanDerWaalsContact C-N 3.3Å; I92-R94 PolarHBondContact O-N 3.11Å; I92-R95 WeakPolarHBondContact O-CB 3.34Å; I92-R95 PolarHBondContact O-N 3.25Å; I92-I96 PolarHBondContact O-N 2.96Å; I92-I96 VanDerWaalsContact O-N 3.09Å |
| 93 | L | 88.1 | Confident | 76.8 | Confident | 99 Ų | 99 | 123.1 Ų | 123.1 | 52% | 0.518 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -56.5 | -41.7 | 179 | -69.9 | 177.2 | 0 | 0 | 0 | 112.6 | I89 R95 I96 S97 | I89-L93 HydrophobicContact CG2-CD1 4.08Å; I89-L93 HydrophobicContact CG2-CG 4.36Å; I89-L93 WeakPolarHBondContact O-CG 3.21Å; I89-L93 PolarHBondContact O-N 3.39Å; L93-R95 VanDerWaalsContact C-N 3.3Å; L93-R95 PolarHBondContact O-N 3.18Å; L93-I96 HydrophobicContact CD2-CD1 3.87Å; L93-I96 WeakPolarHBondContact O-CG1 3.4Å; L93-I96 PolarHBondContact O-N 3.41Å; L93-S97 WeakPolarHBondContact O-CB 3.46Å; L93-S97 PolarHBondContact O-N 3.01Å |
| 94 | R | 86.3 | Confident | 76.1 | Confident | 162 Ų | 162 | 127.2 Ų | 127.2 | 61% | 0.611 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64 | -33.9 | 176 | -172.9 | 179.9 | -68.7 | 154.4 | -1.4 | 112.9 | S90 I92 R98 | S90-R94 WeakPolarHBondContact O-CB 3.39Å; S90-R94 PolarHBondContact O-N 2.97Å; S90-R94 VanDerWaalsContact O-N 3.13Å; I92-R94 VanDerWaalsContact C-N 3.3Å; I92-R94 PolarHBondContact O-N 3.11Å; R94-R98 WeakPolarHBondContact O-CG 3.45Å |
| 95 | R | 85.1 | Confident | 75.7 | Confident | 177 Ų | 177 | 126.5 Ų | 126.5 | 67% | 0.668 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.3 | -42.6 | -179.9 | -74 | 173 | 175.9 | 172.4 | -3.6 | 111.6 | R91 I92 L93 | R91-R95 WeakPolarHBondContact O-CG 3.43Å; R91-R95 PolarHBondContact O-N 3.43Å; I92-R95 WeakPolarHBondContact O-CB 3.34Å; I92-R95 PolarHBondContact O-N 3.25Å; L93-R95 VanDerWaalsContact C-N 3.3Å; L93-R95 PolarHBondContact O-N 3.18Å |
| 96 | I | 86.4 | Confident | 74.6 | Confident | 110 Ų | 110 | 125 Ų | 125 | 56% | 0.564 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.5 | -38.8 | 178.9 | 63.4 | 175.6 | 0 | 0 | 0 | 111.6 | I92 L93 R98 K99 | I92-I96 PolarHBondContact O-N 2.96Å; I92-I96 VanDerWaalsContact O-N 3.09Å; L93-I96 HydrophobicContact CD2-CD1 3.87Å; L93-I96 WeakPolarHBondContact O-CG1 3.4Å; L93-I96 PolarHBondContact O-N 3.41Å; I96-R98 PolarHBondContact O-N 3.28Å; I96-K99 PolarHBondContact O-N 3.43Å; I96-K99 VanDerWaalsContact O-N 3.11Å |
| 97 | S | 82 | Confident | 72.9 | Confident | 100 Ų | 100 | 127.7 Ų | 127.7 | 70% | 0.699 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -61.2 | -29.5 | -179.7 | 171.4 | 0 | 0 | 0 | 0 | 113 | L93 K99 | L93-S97 WeakPolarHBondContact O-CB 3.46Å; L93-S97 PolarHBondContact O-N 3.01Å; S97-K99 VanDerWaalsContact C-N 3.31Å; S97-K99 PolarHBondContact O-N 3.49Å |
| 98 | R | 67.6 | Low | 71.1 | Confident | 193 Ų | 193 | 128.8 Ų | 128.8 | 73% | 0.728 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -77.8 | -10 | 179.7 | -70.7 | -179.7 | -176 | -157.4 | -1.5 | 114.4 | R94 I96 G100 | R94-R98 WeakPolarHBondContact O-CG 3.45Å; I96-R98 PolarHBondContact O-N 3.28Å; R98-G100 PolarHBondContact O-N 3.04Å |
| 99 | K | 60.7 | Low | 68.8 | Low | 196 Ų | 196 | 131.8 Ų | 131.8 | 85% | 0.852 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -83.6 | 10.2 | -171.7 | -156.3 | 128.8 | 178.5 | -176.2 | 0 | 114.4 | I96 S97 | I96-K99 PolarHBondContact O-N 3.43Å; I96-K99 VanDerWaalsContact O-N 3.11Å; S97-K99 VanDerWaalsContact C-N 3.31Å; S97-K99 PolarHBondContact O-N 3.49Å |
| 100 | G | 59.5 | Low | 66.7 | Low | 66 Ų | 66 | 133.4 Ų | 133.4 | 68% | 0.68 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -101.9 | -5.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | R98 | R98-G100 PolarHBondContact O-N 3.04Š|
| 101 | S | 57.9 | Low | 64.4 | Low | 98 Ų | 98 | 137.5 Ų | 137.5 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | | | trans | -122.3 | 72.8 | -169.6 | 72.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 102 | N | 55.2 | Low | 62.3 | Low | 167 Ų | 167 | 138.4 Ų | 138.4 | 89% | 0.893 | 72% | 0.721 | S | S | * | * | | | trans | -150.9 | 55.4 | 160.3 | -78.1 | -50.5 | 0 | 0 | 0 | 110.6 | K104 | N102-K104 PolarHBondContact O-N 3.3Š|
| 103 | I | 57.9 | Low | 60 | Low | 146 Ų | 146 | 142.3 Ų | 142.3 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | | | trans | -87.8 | 94.1 | 161.7 | -57.7 | 170.7 | 0 | 0 | 0 | 106.1 | K105 | I103-K105 VanDerWaalsContact C-N 3.26Å; I103-K105 HydrophobicContact CG2-CG 4.23Å; I103-K105 PolarHBondContact O-N 2.9Å |
| 104 | K | 50.9 | Low | 57.6 | Low | 176 Ų | 176 | 145.9 Ų | 145.9 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | | | trans | -65.5 | 90.5 | 168.6 | -171.7 | 168.1 | -177.4 | 174.9 | 0 | 106.8 | N102 H106 | N102-K104 PolarHBondContact O-N 3.3Å; K104-H106 PolarHBondContact O-N 2.92Å; K104-H106 VanDerWaalsContact O-N 3.12Å |
| 105 | K | 57.9 | Low | 55.9 | Low | 186 Ų | 186 | 143.8 Ų | 143.8 | 81% | 0.809 | 76% | 0.756 | S | S | * | * | | | trans | -63.6 | 113.2 | 175.5 | -67.4 | -170.3 | 178.4 | -176.7 | 0 | 107.8 | I103 S107 | I103-K105 VanDerWaalsContact C-N 3.26Å; I103-K105 HydrophobicContact CG2-CG 4.23Å; I103-K105 PolarHBondContact O-N 2.9Å; K105-S107 PolarHBondContact O-N 3.23Å |
| 106 | H | 50.4 | Low | 53.8 | Low | 161 Ų | 161 | 144.1 Ų | 144.1 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | | | trans | -68.1 | 112.4 | 166.4 | -57.8 | -78.6 | 0 | 0 | 0 | 106.7 | K104 T108 | K104-H106 PolarHBondContact O-N 2.92Å; K104-H106 VanDerWaalsContact O-N 3.12Å; H106-T108 PolarHBondContact O-N 3.32Å |
| 107 | S | 43.9 | Very low | 51.3 | Low | 100 Ų | 100 | 145.4 Ų | 145.4 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | trans | -77.1 | 114.4 | 172.6 | 166.1 | 0 | 0 | 0 | 0 | 107.4 | K105 | K105-S107 PolarHBondContact O-N 3.23Š|
| 108 | T | 47.9 | Very low | 49.7 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | | | trans | -124.9 | 86.2 | 169.5 | -4.1 | 0 | 0 | 0 | 0 | 106.3 | H106 N110 | H106-T108 PolarHBondContact O-N 3.32Å; T108-N110 PolarHBondContact O-N 3.09Å |
| 109 | D | 44 | Very low | 48.2 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | | | trans | -77.8 | 95.8 | 169.4 | -74.3 | -29.5 | 0 | 0 | 0 | 107.8 | T111 | D109-T111 PolarHBondContact O-N 3.19Š|
| 110 | N | 47.7 | Very low | 47.1 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | | | trans | -77.4 | 109 | 169.1 | -70.4 | -32.3 | 0 | 0 | 0 | 108.4 | T108 C112 | T108-N110 PolarHBondContact O-N 3.09Å; N110-C112 PolarHBondContact O-N 3.06Å |
| 111 | T | 41.9 | Very low | 46 | Very low | 147 Ų | 147 | 148.5 Ų | 148.5 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | trans | -56.4 | 115.6 | 166.7 | -11.2 | 0 | 0 | 0 | 0 | 109.4 | D109 | D109-T111 PolarHBondContact O-N 3.19Š|
| 112 | C | 45.2 | Very low | 45.3 | Very low | 125 Ų | 125 | 153 Ų | 153 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | | | trans | -120.7 | 116.8 | 169 | -167.6 | 0 | 0 | 0 | 0 | 108 | N110 | N110-C112 PolarHBondContact O-N 3.06Š|
| 113 | E | 43.2 | Very low | 44.3 | Very low | 182 Ų | 182 | 155 Ų | 155 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | | | trans | -64 | 139.8 | -176.7 | -68.6 | -177.8 | 155.4 | 0 | 0 | 111.6 | P115 | E113-P115 VanDerWaalsContact O-CD 3.29Å; E113-P115 WeakPolarHBondContact O-CD 3.38Å |
| 114 | K | 39 | Very low | 43.3 | Very low | 174 Ų | 174 | 156.5 Ų | 156.5 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | | | trans | -86.7 | 113.5 | 179.4 | 177.7 | -178 | 176.7 | -175.4 | 0 | 109.4 | | |
| 115 | P | 49 | Very low | 42.4 | Very low | 118 Ų | 118 | 157.3 Ų | 157.3 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 144.5 | 164.4 | 28.5 | -30.3 | 0 | 0 | 0 | 110.9 | E113 | E113-P115 VanDerWaalsContact O-CD 3.29Å; E113-P115 WeakPolarHBondContact O-CD 3.38Å |
| 116 | E | 41.7 | Very low | 41.7 | Very low | 183 Ų | 183 | 154.8 Ų | 154.8 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 154 | -168.6 | -65.6 | 171.3 | 137.9 | 0 | 0 | 114.6 | | |
| 117 | D | 33.9 | Very low | 41.1 | Very low | 137 Ų | 137 | 153.8 Ų | 153.8 | 73% | 0.733 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -56 | 134.8 | 175.7 | -64.6 | -59.3 | 0 | 0 | 0 | 113.2 | | |
| 118 | T | 47.4 | Very low | 40.8 | Very low | 142 Ų | 142 | 155.6 Ų | 155.6 | 87% | 0.871 | 82% | 0.824 | S | S | * | * | | | trans | -134.2 | 116 | 152.7 | 11.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 119 | N | 36 | Very low | 40.5 | Very low | 156 Ų | 156 | 156.9 Ų | 156.9 | 83% | 0.834 | 83% | 0.831 | S | S | * | * | | | trans | -66.3 | 137.8 | 172 | -72.8 | -53.1 | 0 | 0 | 0 | 111 | | |
| 120 | N | 38.8 | Very low | 40.2 | Very low | 164 Ų | 164 | 158.9 Ų | 158.9 | 88% | 0.877 | 84% | 0.836 | S | S | * | * | | | trans | -164.7 | 129.3 | 131.8 | -118.2 | -11.8 | 0 | 0 | 0 | 111 | | |
| 121 | D | 35.6 | Very low | 39.9 | Very low | 158 Ų | 158 | 156.9 Ų | 156.9 | 85% | 0.845 | 84% | 0.839 | S | S | * | * | | | trans | -59.9 | 126.5 | 168 | -83.1 | -55.4 | 0 | 0 | 0 | 110.9 | | |
| 122 | E | 42.8 | Very low | 39.7 | Very low | 192 Ų | 192 | 158.9 Ų | 158.9 | 90% | 0.897 | 84% | 0.838 | S | S | * | * | | | | -170.5 | 135.5 | 129.1 | -108.1 | 174.2 | -179.9 | 0 | 0 | 111 | Q124 | E122-Q124 PolarHBondContact O-N 3.39Š|
| 123 | K | 34.9 | Very low | 39.3 | Very low | 210 Ų | 210 | 158 Ų | 158 | 91% | 0.913 | 83% | 0.833 | S | S | * | * | | | trans | -71.6 | 117.6 | -176.7 | -62.7 | 170.6 | 177.7 | 179.8 | 0 | 110 | | |
| 124 | Q | 37.1 | Very low | 39.6 | Very low | 177 Ų | 177 | 154.4 Ų | 154.4 | 83% | 0.827 | 83% | 0.826 | S | S | * | * | | | trans | -147.4 | 113.5 | 149.2 | -151 | 166.5 | 21.2 | 0 | 0 | 111.6 | E122 V126 | E122-Q124 PolarHBondContact O-N 3.39Å; Q124-V126 PolarHBondContact O-N 3.37Å |
| 125 | E | 32.4 | Very low | 39.6 | Very low | 194 Ų | 194 | 154.7 Ų | 154.7 | 91% | 0.907 | 83% | 0.83 | S | S | * | * | | | trans | -43.2 | 112.8 | 164.2 | -122.5 | 172 | 161.8 | 0 | 0 | 110.6 | | |
| 126 | V | 42.6 | Very low | 39.2 | Very low | 132 Ų | 132 | 155.2 Ų | 155.2 | 80% | 0.8 | 84% | 0.835 | S | S | * | * | | | trans | -127.3 | 126.5 | 163.3 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | Q124 | Q124-V126 PolarHBondContact O-N 3.37Š|
| 127 | N | 37.9 | Very low | 39.3 | Very low | 141 Ų | 141 | 151.6 Ų | 151.6 | 75% | 0.754 | 83% | 0.826 | S | S | * | * | | | trans | -53.6 | 139.2 | -170 | -64.4 | -39.6 | 0 | 0 | 0 | 114 | T129 | N127-T129 PolarHBondContact O-N 3.25Š|
| 128 | T | 38.1 | Very low | 40 | Very low | 138 Ų | 138 | 149.1 Ų | 149.1 | 85% | 0.847 | 82% | 0.824 | S | S | * | * | | | trans | -36.1 | 109.6 | 163 | 27.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 129 | T | 41.9 | Very low | 40.2 | Very low | 138 Ų | 138 | 149.2 Ų | 149.2 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83 | 117.3 | 157.7 | 15.8 | 0 | 0 | 0 | 0 | 107.2 | N127 A131 | N127-T129 PolarHBondContact O-N 3.25Å; T129-A131 PolarHBondContact O-N 3.43Å |
| 130 | E | 38 | Very low | 40.6 | Very low | 188 Ų | 188 | 149 Ų | 149 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 117.9 | 175 | -70.6 | 178.8 | 146.6 | 0 | 0 | 109.6 | Q132 | E130-Q132 PolarHBondContact O-N 2.75Š|
| 131 | A | 41 | Very low | 41.1 | Very low | 99 Ų | 99 | 146.7 Ų | 146.7 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 116.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | T129 S133 | T129-A131 PolarHBondContact O-N 3.43Å; A131-S133 PolarHBondContact O-N 2.94Å |
| 132 | Q | 37.4 | Very low | 41.9 | Very low | 188 Ų | 188 | 145.7 Ų | 145.7 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 119.1 | 173.9 | -77.1 | 172.2 | -24.7 | 0 | 0 | 110.4 | E130 | E130-Q132 PolarHBondContact O-N 2.75Š|
| 133 | S | 36.3 | Very low | 42.3 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 130.6 | 168.1 | 179.5 | 0 | 0 | 0 | 0 | 109 | A131 E135 | A131-S133 PolarHBondContact O-N 2.94Å; S133-E135 PolarHBondContact O-N 2.89Å |
| 134 | P | 49.9 | Very low | 43.2 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 120.5 | 177.4 | -12.5 | 23.5 | 0 | 0 | 0 | 109.7 | C136 | P134-C136 PolarHBondContact O-N 3.05Å; P134-C136 VanDerWaalsContact O-N 3.11Å |
| 135 | E | 39.5 | Very low | 44.2 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | trans | -58.6 | 112.7 | 165.6 | -87.4 | 178.4 | 127.1 | 0 | 0 | 108.4 | S133 T137 | S133-E135 PolarHBondContact O-N 2.89Å; E135-T137 VanDerWaalsContact C-N 3.26Å; E135-T137 PolarHBondContact O-N 3.14Å |
| 136 | C | 40.3 | Very low | 45.4 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | | | trans | -70.1 | 86.8 | 169.4 | -60.5 | 0 | 0 | 0 | 0 | 108.1 | P134 A138 | P134-C136 PolarHBondContact O-N 3.05Å; P134-C136 VanDerWaalsContact O-N 3.11Å; C136-A138 PolarHBondContact O-N 3.18Å |
| 137 | T | 42.9 | Very low | 46.1 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | | | trans | -61.6 | 108.9 | 165.2 | 34.8 | 0 | 0 | 0 | 0 | 108.2 | E135 N139 | E135-T137 VanDerWaalsContact C-N 3.26Å; E135-T137 PolarHBondContact O-N 3.14Å; T137-N139 VanDerWaalsContact C-N 3.25Å; T137-N139 PolarHBondContact O-N 2.71Å; T137-N139 PolarHBondContact O-OD1 3.15Å |
| 138 | A | 50 | Low | 47.4 | Very low | 85 Ų | 85 | 127.3 Ų | 127.3 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | | | trans | -62.1 | 91.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | C136 N140 | C136-A138 PolarHBondContact O-N 3.18Å; A138-N140 VanDerWaalsContact C-N 3.29Å; A138-N140 PolarHBondContact O-N 2.98Å |
| 139 | N | 50.3 | Low | 49.1 | Very low | 144 Ų | 144 | 124.6 Ų | 124.6 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | | | trans | -67 | 96 | 174.5 | -66.8 | -23.5 | 0 | 0 | 0 | 107.7 | T137 | T137-N139 VanDerWaalsContact C-N 3.25Å; T137-N139 PolarHBondContact O-N 2.71Å; T137-N139 PolarHBondContact O-OD1 3.15Å |
| 140 | N | 44.1 | Very low | 50.7 | Low | 151 Ų | 151 | 123 Ų | 123 | 81% | 0.807 | 73% | 0.734 | S | S | * | * | | | trans | -54.5 | 157.7 | 164.7 | -69.1 | -48.1 | 0 | 0 | 0 | 110.5 | A138 | A138-N140 VanDerWaalsContact C-N 3.29Å; A138-N140 PolarHBondContact O-N 2.98Å |
| 141 | S | 49.1 | Very low | 52.5 | Low | 115 Ų | 115 | 119.3 Ų | 119.3 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | | | trans | 99 | 51.5 | 171.2 | -164 | 0 | 0 | 0 | 0 | 115.9 | | |
| 142 | V | 54.2 | Low | 54.2 | Low | 137 Ų | 137 | 119.3 Ų | 119.3 | 83% | 0.83 | 71% | 0.705 | S | S | * | * | | | trans | -83.8 | 111 | 144.2 | -178.4 | 0 | 0 | 0 | 0 | 106.4 | P144 | V142-P144 VanDerWaalsContact O-CD 3.26Å; V142-P144 WeakPolarHBondContact O-CD 3.43Å |
| 143 | D | 51.1 | Low | 56.3 | Low | 109 Ų | 109 | 115.1 Ų | 115.1 | 58% | 0.583 | 69% | 0.692 | S | S | * | * | | | trans | -55.9 | 109.6 | 175.9 | -167.4 | -13.7 | 0 | 0 | 0 | 109.2 | T145 | D143-T145 PolarHBondContact O-N 2.95Å; D143-T145 WeakPolarHBondContact OD1-CG2 3.29Å; D143-T145 PolarHBondContact OD1-OG1 3.01Å |
| 144 | P | 53.4 | Low | 58.4 | Low | 122 Ų | 122 | 112.2 Ų | 112.2 | 79% | 0.792 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 57.8 | -175.2 | 35.8 | -33.7 | 0 | 0 | 0 | 109.4 | V142 | V142-P144 VanDerWaalsContact O-CD 3.26Å; V142-P144 WeakPolarHBondContact O-CD 3.43Å |
| 145 | T | 58 | Low | 60 | Low | 107 Ų | 107 | 111.7 Ų | 111.7 | 66% | 0.656 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.7 | -7.9 | -178.3 | 47.9 | 0 | 0 | 0 | 0 | 114.8 | D143 | D143-T145 PolarHBondContact O-N 2.95Å; D143-T145 WeakPolarHBondContact OD1-CG2 3.29Å; D143-T145 PolarHBondContact OD1-OG1 3.01Å |
| 146 | S | 57.5 | Low | 62.3 | Low | 94 Ų | 94 | 106.6 Ų | 106.6 | 66% | 0.657 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -104.3 | -19.5 | -177.9 | 64.2 | 0 | 0 | 0 | 0 | 116.9 | | |
| 147 | D | 57.2 | Low | 64.7 | Low | 110 Ų | 110 | 105.8 Ų | 105.8 | 59% | 0.588 | 63% | 0.631 | S | S | * | * | | | trans | -107.9 | 12.4 | -167.1 | -64 | -2.1 | 0 | 0 | 0 | 113.9 | S149 V150 L151 | D147-S149 PolarHBondContact O-N 3.13Å; D147-V150 PolarHBondContact O-N 3.49Å; D147-L151 PolarHBondContact O-N 3.13Å |
| 148 | N | 66.1 | Low | 66.9 | Low | 119 Ų | 119 | 104.5 Ų | 104.5 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.5 | -27.7 | -175.6 | -150.9 | -7.2 | 0 | 0 | 0 | 112.4 | L152 | N148-L152 WeakPolarHBondContact O-CB 3.33Å; N148-L152 PolarHBondContact O-N 3.22Å |
| 149 | S | 72.8 | Confident | 68.7 | Low | 80 Ų | 80 | 105.8 Ų | 105.8 | 56% | 0.559 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.8 | -39.8 | 177.8 | 61.1 | 0 | 0 | 0 | 0 | 113 | D147 L152 V153 | D147-S149 PolarHBondContact O-N 3.13Å; S149-L152 PolarHBondContact O-N 3.28Å; S149-V153 VanDerWaalsContact O-CG2 3.25Å; S149-V153 WeakPolarHBondContact O-CG2 3.32Å; S149-V153 PolarHBondContact O-N 3.06Å |
| 150 | V | 75.2 | Confident | 70.3 | Confident | 105 Ų | 105 | 103.8 Ų | 103.8 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.5 | -42.4 | -179.6 | 180 | 0 | 0 | 0 | 0 | 110.4 | D147 V153 A154 | D147-V150 PolarHBondContact O-N 3.49Å; V150-V153 PolarHBondContact O-N 3.39Å; V150-A154 WeakPolarHBondContact O-CB 3.28Å; V150-A154 PolarHBondContact O-N 3.01Å |
| 151 | L | 76.2 | Confident | 72.3 | Confident | 111 Ų | 111 | 100.6 Ų | 100.6 | 58% | 0.581 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.5 | -44.6 | 173.9 | -95.9 | 161.3 | 0 | 0 | 0 | 111.5 | D147 V153 A154 D155 | D147-L151 PolarHBondContact O-N 3.13Å; L151-V153 PolarHBondContact O-N 3.08Å; L151-A154 PolarHBondContact O-N 3.43Å; L151-D155 PolarHBondContact O-N 3.34Å |
| 152 | L | 76.9 | Confident | 73.9 | Confident | 99 Ų | 99 | 100 Ų | 100 | 52% | 0.518 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.9 | -40.8 | 178.3 | -169.3 | 69.2 | 0 | 0 | 0 | 112.4 | N148 S149 D155 N156 | N148-L152 WeakPolarHBondContact O-CB 3.33Å; N148-L152 PolarHBondContact O-N 3.22Å; S149-L152 PolarHBondContact O-N 3.28Å; L152-D155 PolarHBondContact O-N 2.97Å; L152-N156 WeakPolarHBondContact O-CB 3.31Å; L152-N156 PolarHBondContact O-N 3.1Å; L152-N156 PolarHBondContact O-ND2 3.24Å; L152-N156 VanDerWaalsContact O-ND2 3.13Å |
| 153 | V | 82 | Confident | 75.2 | Confident | 100 Ų | 100 | 97.9 Ų | 97.9 | 61% | 0.606 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.2 | -39.7 | 176 | 172 | 0 | 0 | 0 | 0 | 111.2 | S149 V150 L151 L157 | S149-V153 VanDerWaalsContact O-CG2 3.25Å; S149-V153 WeakPolarHBondContact O-CG2 3.32Å; S149-V153 PolarHBondContact O-N 3.06Å; V150-V153 PolarHBondContact O-N 3.39Å; L151-V153 PolarHBondContact O-N 3.08Å; V153-L157 WeakPolarHBondContact O-CB 3.16Å; V153-L157 PolarHBondContact O-N 2.95Å |
| 154 | A | 80.4 | Confident | 76.4 | Confident | 46 Ų | 46 | 96 Ų | 96 | 38% | 0.38 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.1 | -45.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V150 L151 L157 V158 | V150-A154 WeakPolarHBondContact O-CB 3.28Å; V150-A154 PolarHBondContact O-N 3.01Å; L151-A154 PolarHBondContact O-N 3.43Å; A154-L157 PolarHBondContact O-N 3.49Å; A154-V158 WeakPolarHBondContact O-CG2 3.44Å; A154-V158 PolarHBondContact O-N 3.08Å |
| 155 | D | 83.7 | Confident | 77.1 | Confident | 94 Ų | 94 | 93.1 Ų | 93.1 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 177.2 | -96.5 | 12.9 | 0 | 0 | 0 | 112 | L151 L152 L157 V158 Q159 | L151-D155 PolarHBondContact O-N 3.34Å; L152-D155 PolarHBondContact O-N 2.97Å; D155-L157 VanDerWaalsContact C-N 3.32Å; D155-L157 PolarHBondContact O-N 2.94Å; D155-V158 PolarHBondContact O-N 3.04Å; D155-Q159 WeakPolarHBondContact O-CG 3.39Å; D155-Q159 PolarHBondContact O-N 2.92Å |
| 156 | N | 87.5 | Confident | 77.4 | Confident | 75 Ų | 75 | 91.9 Ų | 91.9 | 40% | 0.401 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 175.9 | -70.9 | -25.7 | 0 | 0 | 0 | 111.4 | L152 V158 Q159 D160 | L152-N156 WeakPolarHBondContact O-CB 3.31Å; L152-N156 PolarHBondContact O-N 3.1Å; L152-N156 PolarHBondContact O-ND2 3.24Å; L152-N156 VanDerWaalsContact O-ND2 3.13Å; N156-V158 PolarHBondContact O-N 3.5Å; N156-Q159 PolarHBondContact O-N 3.21Å; N156-D160 PolarHBondContact O-N 3.42Å |
| 157 | L | 90.7 | Very high | 77.7 | Confident | 110 Ų | 110 | 92.4 Ų | 92.4 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -40.8 | 176.9 | -179.1 | 65.3 | 0 | 0 | 0 | 112 | V153 A154 D155 Q159 D160 V161 | V153-L157 WeakPolarHBondContact O-CB 3.16Å; V153-L157 PolarHBondContact O-N 2.95Å; A154-L157 PolarHBondContact O-N 3.49Å; D155-L157 VanDerWaalsContact C-N 3.32Å; D155-L157 PolarHBondContact O-N 2.94Å; L157-Q159 VanDerWaalsContact C-N 3.35Å; L157-D160 PolarHBondContact O-N 3.25Å; L157-V161 VanDerWaalsContact O-CG2 3.29Å; L157-V161 WeakPolarHBondContact O-CG2 3.4Å; L157-V161 PolarHBondContact O-N 2.95Å |
| 158 | V | 89.7 | Confident | 77.7 | Confident | 81 Ų | 81 | 91.6 Ų | 91.6 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 176 | 171 | 0 | 0 | 0 | 0 | 110.3 | A154 D155 N156 V161 I162 | A154-V158 WeakPolarHBondContact O-CG2 3.44Å; A154-V158 PolarHBondContact O-N 3.08Å; D155-V158 PolarHBondContact O-N 3.04Å; N156-V158 PolarHBondContact O-N 3.5Å; V158-V161 PolarHBondContact O-N 3.45Å; V158-I162 HydrophobicContact CG1-CD1 3.82Å; V158-I162 VanDerWaalsContact O-CG1 3.28Å; V158-I162 WeakPolarHBondContact O-CG1 3.37Å; V158-I162 PolarHBondContact O-N 2.92Å |
| 159 | Q | 86 | Confident | 77 | Confident | 113 Ų | 113 | 95 Ų | 95 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 176.1 | -72.7 | -170.4 | 16.2 | 0 | 0 | 112.4 | D155 N156 L157 V161 I162 I163 | D155-Q159 WeakPolarHBondContact O-CG 3.39Å; D155-Q159 PolarHBondContact O-N 2.92Å; N156-Q159 PolarHBondContact O-N 3.21Å; L157-Q159 VanDerWaalsContact C-N 3.35Å; Q159-V161 VanDerWaalsContact C-N 3.3Å; Q159-V161 PolarHBondContact O-N 3.18Å; Q159-I162 PolarHBondContact O-N 2.86Å; Q159-I163 VanDerWaalsContact O-CG1 3.31Å; Q159-I163 WeakPolarHBondContact O-CG1 3.35Å; Q159-I163 PolarHBondContact O-N 2.76Å |
| 160 | D | 85.4 | Confident | 76 | Confident | 102 Ų | 102 | 96.7 Ų | 96.7 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60 | -40.4 | 178 | -75.1 | -15.7 | 0 | 0 | 0 | 112 | N156 L157 S164 | N156-D160 PolarHBondContact O-N 3.42Å; L157-D160 PolarHBondContact O-N 3.25Å; D160-S164 WeakPolarHBondContact O-CB 3.44Å; D160-S164 PolarHBondContact O-N 3.39Å; D160-S164 PolarHBondContact O-OG 3.05Å |
| 161 | V | 85.3 | Confident | 75 | Confident | 84 Ų | 84 | 97.3 Ų | 97.3 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 176.4 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | L157 V158 Q159 S164 A165 | L157-V161 VanDerWaalsContact O-CG2 3.29Å; L157-V161 WeakPolarHBondContact O-CG2 3.4Å; L157-V161 PolarHBondContact O-N 2.95Å; V158-V161 PolarHBondContact O-N 3.45Å; Q159-V161 VanDerWaalsContact C-N 3.3Å; Q159-V161 PolarHBondContact O-N 3.18Å; V161-S164 WeakPolarHBondContact CA-OG 3.27Å; V161-S164 PolarHBondContact O-OG 3.19Å; V161-S164 VanDerWaalsContact O-OG 3.08Å; V161-A165 VanDerWaalsContact O-CB 3.27Å; V161-A165 WeakPolarHBondContact O-CB 3.44Å; V161-A165 PolarHBondContact O-N 3.23Å |
| 162 | I | 83.4 | Confident | 73.8 | Confident | 101 Ų | 101 | 99.1 Ų | 99.1 | 52% | 0.518 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.5 | -46.2 | 178.1 | -67.9 | 166.6 | 0 | 0 | 0 | 110.8 | V158 Q159 A165 T166 | V158-I162 HydrophobicContact CG1-CD1 3.82Å; V158-I162 VanDerWaalsContact O-CG1 3.28Å; V158-I162 WeakPolarHBondContact O-CG1 3.37Å; V158-I162 PolarHBondContact O-N 2.92Å; Q159-I162 PolarHBondContact O-N 2.86Å; I162-A165 PolarHBondContact O-N 3.12Å; I162-T166 WeakPolarHBondContact O-CG2 3.44Å; I162-T166 PolarHBondContact O-N 2.95Å; I162-T166 PolarHBondContact O-OG1 2.88Å |
| 163 | I | 80.7 | Confident | 72.5 | Confident | 93 Ų | 93 | 99.8 Ų | 99.8 | 48% | 0.477 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63 | -48.5 | 179.3 | -66.4 | 166.6 | 0 | 0 | 0 | 110.3 | Q159 A165 T166 Q167 | Q159-I163 VanDerWaalsContact O-CG1 3.31Å; Q159-I163 WeakPolarHBondContact O-CG1 3.35Å; Q159-I163 PolarHBondContact O-N 2.76Å; I163-A165 PolarHBondContact O-N 3.1Å; I163-T166 PolarHBondContact O-N 3.19Å; I163-T166 PolarHBondContact O-OG1 3.25Å; I163-Q167 WeakPolarHBondContact O-CB 3.47Å; I163-Q167 PolarHBondContact O-N 3.15Å |
| 164 | S | 75.7 | Confident | 70.9 | Confident | 70 Ų | 70 | 102.9 Ų | 102.9 | 49% | 0.49 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | -180 | 54 | 0 | 0 | 0 | 0 | 113 | D160 V161 T166 Q167 T168 | D160-S164 WeakPolarHBondContact O-CB 3.44Å; D160-S164 PolarHBondContact O-N 3.39Å; D160-S164 PolarHBondContact O-OG 3.05Å; V161-S164 WeakPolarHBondContact CA-OG 3.27Å; V161-S164 PolarHBondContact O-OG 3.19Å; V161-S164 VanDerWaalsContact O-OG 3.08Å; S164-T166 VanDerWaalsContact C-N 3.35Å; S164-T166 PolarHBondContact O-N 3.22Å; S164-Q167 PolarHBondContact O-N 3.43Å; S164-T168 PolarHBondContact O-N 2.73Å; S164-T168 PolarHBondContact O-OG1 2.88Å |
| 165 | A | 69.2 | Low | 69.6 | Low | 61 Ų | 61 | 106.3 Ų | 106.3 | 50% | 0.504 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.6 | -32.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V161 I162 I163 T168 | V161-A165 VanDerWaalsContact O-CB 3.27Å; V161-A165 WeakPolarHBondContact O-CB 3.44Å; V161-A165 PolarHBondContact O-N 3.23Å; I162-A165 PolarHBondContact O-N 3.12Å; I163-A165 PolarHBondContact O-N 3.1Å; A165-T168 PolarHBondContact O-OG1 3.16Å |
| 166 | T | 64.5 | Low | 67.8 | Low | 82 Ų | 82 | 106.5 Ų | 106.5 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -78.8 | -30.9 | 176.4 | 51.3 | 0 | 0 | 0 | 0 | 112.7 | I162 I163 S164 R169 | I162-T166 WeakPolarHBondContact O-CG2 3.44Å; I162-T166 PolarHBondContact O-N 2.95Å; I162-T166 PolarHBondContact O-OG1 2.88Å; I163-T166 PolarHBondContact O-N 3.19Å; I163-T166 PolarHBondContact O-OG1 3.25Å; S164-T166 VanDerWaalsContact C-N 3.35Å; S164-T166 PolarHBondContact O-N 3.22Å; T166-R169 PolarHBondContact O-N 2.79Å |
| 167 | Q | 64.3 | Low | 65.9 | Low | 104 Ų | 104 | 111.1 Ų | 111.1 | 49% | 0.486 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.9 | -38.7 | 177.9 | -173.3 | 154.1 | -6.8 | 0 | 0 | 112.8 | I163 S164 R169 L170 E171 | I163-Q167 WeakPolarHBondContact O-CB 3.47Å; I163-Q167 PolarHBondContact O-N 3.15Å; S164-Q167 PolarHBondContact O-N 3.43Å; Q167-R169 PolarHBondContact O-N 2.73Å; Q167-L170 PolarHBondContact O-N 2.76Å; Q167-E171 PolarHBondContact NE2-OE1 3.22Å; Q167-E171 PolarHBondContact O-N 3.03Å; Q167-E171 VanDerWaalsContact O-N 3.16Å |
| 168 | T | 56.1 | Low | 63.9 | Low | 93 Ų | 93 | 112 Ų | 112 | 57% | 0.571 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -57.7 | -33.7 | 172.7 | 17.8 | 0 | 0 | 0 | 0 | 112.2 | S164 A165 L170 E172 | S164-T168 PolarHBondContact O-N 2.73Å; S164-T168 PolarHBondContact O-OG1 2.88Å; A165-T168 PolarHBondContact O-OG1 3.16Å; T168-L170 VanDerWaalsContact C-N 3.33Å; T168-L170 PolarHBondContact O-N 3.36Å; T168-E172 WeakPolarHBondContact O-CB 3.47Å; T168-E172 PolarHBondContact O-N 2.67Å |
| 169 | R | 52.1 | Low | 61.8 | Low | 190 Ų | 190 | 116.4 Ų | 116.4 | 72% | 0.717 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.1 | -29 | 177.3 | -169.6 | 179.1 | 170.5 | -176.1 | -1.6 | 113.1 | T166 Q167 I173 | T166-R169 PolarHBondContact O-N 2.79Å; Q167-R169 PolarHBondContact O-N 2.73Å; R169-I173 VanDerWaalsContact O-CD1 3.29Å; R169-I173 WeakPolarHBondContact O-CD1 3.46Å; R169-I173 VanDerWaalsContact O-CG1 3.3Å; R169-I173 WeakPolarHBondContact O-CG1 3.3Å |
| 170 | L | 51.7 | Low | 59.9 | Low | 117 Ų | 117 | 116.1 Ų | 116.1 | 61% | 0.613 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -84.3 | -37.9 | 179.4 | -77.3 | 171.7 | 0 | 0 | 0 | 112.8 | Q167 T168 E172 I173 Q174 | Q167-L170 PolarHBondContact O-N 2.76Å; T168-L170 VanDerWaalsContact C-N 3.33Å; T168-L170 PolarHBondContact O-N 3.36Å; L170-E172 VanDerWaalsContact C-N 3.35Å; L170-I173 PolarHBondContact O-N 2.75Å; L170-Q174 PolarHBondContact O-N 2.8Å |
| 171 | E | 53.7 | Low | 57.8 | Low | 118 Ų | 118 | 120.9 Ų | 120.9 | 55% | 0.551 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.9 | -34.2 | 177.6 | -71.8 | 178.7 | -164 | 0 | 0 | 111.8 | Q167 I173 Q174 V175 | Q167-E171 PolarHBondContact NE2-OE1 3.22Å; Q167-E171 PolarHBondContact O-N 3.03Å; Q167-E171 VanDerWaalsContact O-N 3.16Å; E171-I173 VanDerWaalsContact C-N 3.33Å; E171-I173 PolarHBondContact O-N 3.19Å; E171-Q174 PolarHBondContact O-N 3.07Å; E171-V175 WeakPolarHBondContact O-CG2 3.29Å |
| 172 | E | 51.2 | Low | 56.3 | Low | 148 Ų | 148 | 125 Ų | 125 | 69% | 0.692 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.6 | -35.2 | 176.8 | -168.8 | 172.5 | -162.7 | 0 | 0 | 112.5 | T168 L170 V175 | T168-E172 WeakPolarHBondContact O-CB 3.47Å; T168-E172 PolarHBondContact O-N 2.67Å; L170-E172 VanDerWaalsContact C-N 3.35Å; E172-V175 PolarHBondContact O-N 2.67Å |
| 173 | I | 49.8 | Very low | 54.3 | Low | 113 Ų | 113 | 126.2 Ų | 126.2 | 58% | 0.579 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.5 | -31 | -179.3 | -62.8 | 168.8 | 0 | 0 | 0 | 111.6 | R169 L170 E171 V175 | R169-I173 VanDerWaalsContact O-CD1 3.29Å; R169-I173 WeakPolarHBondContact O-CD1 3.46Å; R169-I173 VanDerWaalsContact O-CG1 3.3Å; R169-I173 WeakPolarHBondContact O-CG1 3.3Å; L170-I173 PolarHBondContact O-N 2.75Å; E171-I173 VanDerWaalsContact C-N 3.33Å; E171-I173 PolarHBondContact O-N 3.19Å; I173-V175 VanDerWaalsContact C-N 3.31Å; I173-V175 PolarHBondContact O-N 2.76Å |
| 174 | Q | 48.6 | Very low | 52.4 | Low | 165 Ų | 165 | 126.6 Ų | 126.6 | 77% | 0.771 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -76.2 | -14.7 | 179 | -71.2 | -171 | 13.2 | 0 | 0 | 114 | L170 E171 C176 | L170-Q174 PolarHBondContact O-N 2.8Å; E171-Q174 PolarHBondContact O-N 3.07Å; Q174-C176 VanDerWaalsContact C-N 3.33Å |
| 175 | V | 51.9 | Low | 50.8 | Low | 118 Ų | 118 | 132.3 Ų | 132.3 | 72% | 0.715 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -11.1 | 179.8 | 179 | 0 | 0 | 0 | 0 | 112.4 | E171 E172 I173 | E171-V175 WeakPolarHBondContact O-CG2 3.29Å; E172-V175 PolarHBondContact O-N 2.67Å; I173-V175 VanDerWaalsContact C-N 3.31Å; I173-V175 PolarHBondContact O-N 2.76Å |
| 176 | C | 47.1 | Very low | 49.2 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 67% | 0.669 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 16.1 | -176.3 | -71.3 | 0 | 0 | 0 | 0 | 116 | Q174 V178 | Q174-C176 VanDerWaalsContact C-N 3.33Å; C176-V178 PolarHBondContact O-N 3.21Å |
| 177 | E | 47.8 | Very low | 47.8 | Very low | 171 Ų | 171 | 140.3 Ų | 140.3 | 80% | 0.799 | 69% | 0.694 | S | S | * | * | | | trans | -75 | 63.7 | 162.2 | -80.1 | -167.6 | 174.2 | 0 | 0 | 110.5 | K179 | E177-K179 VanDerWaalsContact C-N 3.34Å; E177-K179 PolarHBondContact O-N 3.44Å |
| 178 | V | 47.5 | Very low | 46.2 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | | | trans | -69.9 | 98.5 | 163 | 178.5 | 0 | 0 | 0 | 0 | 105.9 | C176 | C176-V178 PolarHBondContact O-N 3.21Š|
| 179 | K | 45.4 | Very low | 45.4 | Very low | 175 Ų | 175 | 145.5 Ų | 145.5 | 76% | 0.761 | 72% | 0.721 | S | S | * | * | | | trans | -54 | 128.7 | 175 | -68.9 | -161.6 | 173.5 | -170 | 0 | 109.1 | E177 Y181 | E177-K179 VanDerWaalsContact C-N 3.34Å; E177-K179 PolarHBondContact O-N 3.44Å; K179-Y181 PolarHBondContact O-N 3.43Å |
| 180 | P | 47.1 | Very low | 44.3 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | | | trans | -57.4 | 127.4 | 171.2 | 22.8 | -30 | 0 | 0 | 0 | 108.1 | E182 | P180-E182 PolarHBondContact O-N 3.4Š|
| 181 | Y | 41.9 | Very low | 43.6 | Very low | 202 Ų | 202 | 144.9 Ų | 144.9 | 79% | 0.792 | 73% | 0.729 | S | S | * | * | | | trans | -62.1 | 104.9 | 172.1 | 179.6 | -101.4 | 0 | 0 | 0 | 107.5 | K179 E183 | K179-Y181 PolarHBondContact O-N 3.43Å; Y181-E183 VanDerWaalsContact C-N 3.31Å; Y181-E183 HydrophobicContact CD1-CB 4.26Å; Y181-E183 HydrophobicContact CE1-CB 4.26Å; Y181-E183 HydrophobicContact CE1-CG 4.4Å; Y181-E183 PolarHBondContact O-N 3.43Å |
| 182 | E | 51.9 | Low | 42.7 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | | | trans | -66.1 | 89.3 | 175.3 | -72 | -90.3 | 164.6 | 0 | 0 | 108.7 | P180 S184 | P180-E182 PolarHBondContact O-N 3.4Å; E182-S184 PolarHBondContact O-N 3.46Å; E182-S184 VanDerWaalsContact O-N 3.11Å |
| 183 | E | 41.4 | Very low | 41.9 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 59% | 0.589 | 75% | 0.749 | S | S | * | * | | | trans | -75.9 | 97.1 | 169.9 | -161.5 | 162.7 | -146.2 | 0 | 0 | 108.1 | Y181 Y185 | Y181-E183 VanDerWaalsContact C-N 3.31Å; Y181-E183 HydrophobicContact CD1-CB 4.26Å; Y181-E183 HydrophobicContact CE1-CB 4.26Å; Y181-E183 HydrophobicContact CE1-CG 4.4Å; Y181-E183 PolarHBondContact O-N 3.43Å; E183-Y185 HydrophobicContact CB-CE2 4.38Å; E183-Y185 HydrophobicContact CG-CD2 4.17Å; E183-Y185 HydrophobicContact CG-CE2 3.7Å; E183-Y185 PolarHBondContact O-N 2.67Å |
| 184 | S | 42.1 | Very low | 41.3 | Very low | 101 Ų | 101 | 147.8 Ų | 147.8 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | trans | -67.7 | 88.5 | -176.9 | 61.6 | 0 | 0 | 0 | 0 | 111.3 | E182 N186 | E182-S184 PolarHBondContact O-N 3.46Å; E182-S184 VanDerWaalsContact O-N 3.11Å; S184-N186 PolarHBondContact O-N 2.86Å |
| 185 | Y | 42.3 | Very low | 40.5 | Very low | 189 Ų | 189 | 149 Ų | 149 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | | | trans | -83.5 | 109.1 | 163 | -77.8 | -81.8 | 0 | 0 | 0 | 109.2 | E183 H187 | E183-Y185 HydrophobicContact CB-CE2 4.38Å; E183-Y185 HydrophobicContact CG-CD2 4.17Å; E183-Y185 HydrophobicContact CG-CE2 3.7Å; E183-Y185 PolarHBondContact O-N 2.67Å; Y185-H187 VanDerWaalsContact C-N 3.34Å; Y185-H187 PolarHBondContact O-N 3.07Å |
| 186 | N | 34.1 | Very low | 39.7 | Very low | 152 Ų | 152 | 151.2 Ų | 151.2 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | trans | -64.9 | 91.6 | 170.2 | -65.2 | -65.8 | 0 | 0 | 0 | 109.2 | S184 | S184-N186 PolarHBondContact O-N 2.86Š|
| 187 | H | 35.7 | Very low | 39.4 | Very low | 160 Ų | 160 | 152.4 Ų | 152.4 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | trans | -108.7 | 100 | 162 | -128.8 | 52 | 0 | 0 | 0 | 108.9 | Y185 E189 | Y185-H187 VanDerWaalsContact C-N 3.34Å; Y185-H187 PolarHBondContact O-N 3.07Å; H187-E189 PolarHBondContact O-N 3.34Å |
| 188 | T | 31.4 | Very low | 39.1 | Very low | 135 Ų | 135 | 152.1 Ų | 152.1 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | | | trans | -70.9 | 91.5 | 169.2 | 47.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 189 | E | 39.5 | Very low | 38.7 | Very low | 170 Ų | 170 | 151.2 Ų | 151.2 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | -111 | 110.7 | 160.8 | -75.3 | -165.1 | 155.4 | 0 | 0 | 110.4 | H187 | H187-E189 PolarHBondContact O-N 3.34Š|
| 190 | T | 28.8 | Very low | 38.5 | Very low | 119 Ų | 119 | 152.1 Ų | 152.1 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | | | trans | -74.1 | 137.8 | 179.5 | 4.2 | 0 | 0 | 0 | 0 | 112 | | |
| 191 | K | 35.9 | Very low | 38.5 | Very low | 176 Ų | 176 | 151.4 Ų | 151.4 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | | | trans | 77.3 | 110.3 | 150.9 | -56.9 | -178 | -176 | -170.2 | 0 | 117.5 | | |
| 192 | N | 35.3 | Very low | 38.5 | Very low | 157 Ų | 157 | 151 Ų | 151 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | | | | -175.4 | 139.1 | 85 | -83.6 | -55.5 | 0 | 0 | 0 | 110.5 | | |
| 193 | D | 33.7 | Very low | 38.4 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | trans | -57.4 | 140 | 170.9 | -65.9 | -62.6 | 0 | 0 | 0 | 112.5 | | |
| 194 | T | 38.1 | Very low | 38.6 | Very low | 127 Ų | 127 | 147.1 Ų | 147.1 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | | -179.9 | 104.8 | 120.2 | -67.2 | 0 | 0 | 0 | 0 | 107.7 | E196 | T194-E196 PolarHBondContact O-N 2.95Š|
| 195 | Q | 31.2 | Very low | 39 | Very low | 191 Ų | 191 | 150.2 Ų | 150.2 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | trans | -69.7 | 115.4 | 165.7 | -75.3 | 175.2 | -15.1 | 0 | 0 | 108.5 | | |
| 196 | E | 35.7 | Very low | 38.9 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | | | trans | -102.7 | 115.4 | 150.6 | -76.9 | -152.7 | 152.3 | 0 | 0 | 108.1 | T194 L198 | T194-E196 PolarHBondContact O-N 2.95Å; E196-L198 PolarHBondContact O-N 3.15Å |
| 197 | P | 41.2 | Very low | 39.4 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | | | trans | -72.7 | 105.7 | 171 | 27.6 | -29.3 | 0 | 0 | 0 | 108.5 | S199 | P197-S199 PolarHBondContact O-N 2.87Å; P197-S199 VanDerWaalsContact O-N 3.14Å |
| 198 | L | 41.3 | Very low | 39.9 | Very low | 165 Ų | 165 | 142.9 Ų | 142.9 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | -64.8 | 113.7 | 171.3 | -66.8 | 173.8 | 0 | 0 | 0 | 108.7 | E196 | E196-L198 PolarHBondContact O-N 3.15Š|
| 199 | S | 39.9 | Very low | 40.3 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | | | trans | -55.5 | 139.4 | 179.7 | 51 | 0 | 0 | 0 | 0 | 112.8 | P197 A201 | P197-S199 PolarHBondContact O-N 2.87Å; P197-S199 VanDerWaalsContact O-N 3.14Å; S199-A201 PolarHBondContact O-N 2.8Å |
| 200 | E | 40.7 | Very low | 40.6 | Very low | 195 Ų | 195 | 141.3 Ų | 141.3 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | | | trans | -49.3 | 114.1 | 172.6 | -65 | 172.3 | 174.5 | 0 | 0 | 110.9 | E202 | E200-E202 PolarHBondContact O-N 2.78Š|
| 201 | A | 45.7 | Very low | 41.2 | Very low | 91 Ų | 91 | 143 Ų | 143 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | | | trans | -69.3 | 119.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | S199 V203 | S199-A201 PolarHBondContact O-N 2.8Å; A201-V203 PolarHBondContact O-N 2.81Å; A201-V203 VanDerWaalsContact O-N 3.07Å |
| 202 | E | 43.1 | Very low | 41.1 | Very low | 193 Ų | 193 | 137.4 Ų | 137.4 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | | | trans | -57.8 | 108.9 | 174.3 | -65.5 | -179.8 | 152.5 | 0 | 0 | 110 | E200 S204 | E200-E202 PolarHBondContact O-N 2.78Å; E202-S204 PolarHBondContact O-N 3.44Å |
| 203 | V | 48.4 | Very low | 41.2 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | | | trans | -71.9 | 93.2 | 174.4 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | A201 H205 | A201-V203 PolarHBondContact O-N 2.81Å; A201-V203 VanDerWaalsContact O-N 3.07Å; V203-H205 PolarHBondContact O-N 3.43Å |
| 204 | S | 46.6 | Very low | 41.4 | Very low | 102 Ų | 102 | 138.1 Ų | 138.1 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | -70.8 | 105.8 | 175.7 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | E202 V206 | E202-S204 PolarHBondContact O-N 3.44Å; S204-V206 PolarHBondContact O-N 2.85Å; S204-V206 VanDerWaalsContact O-N 3.07Å |
| 205 | H | 50.2 | Low | 41.7 | Very low | 166 Ų | 166 | 138 Ų | 138 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -75.6 | 91.4 | 175.1 | -61.4 | -66.2 | 0 | 0 | 0 | 110.2 | V203 S207 | V203-H205 PolarHBondContact O-N 3.43Å; H205-S207 PolarHBondContact O-N 3.14Å; H205-S207 VanDerWaalsContact O-N 3.15Å |
| 206 | V | 40.7 | Very low | 42.3 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | | | trans | -73.8 | 103.5 | 168.8 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | S204 S208 | S204-V206 PolarHBondContact O-N 2.85Å; S204-V206 VanDerWaalsContact O-N 3.07Å; V206-S208 PolarHBondContact O-N 2.99Å |
| 207 | S | 43.9 | Very low | 42.5 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | trans | -65.3 | 109.9 | 170 | -82.5 | 0 | 0 | 0 | 0 | 109.6 | H205 C209 | H205-S207 PolarHBondContact O-N 3.14Å; H205-S207 VanDerWaalsContact O-N 3.15Å; S207-C209 PolarHBondContact O-N 2.84Å |
| 208 | S | 45.9 | Very low | 42.4 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -75.9 | 118.2 | 170.5 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | V206 I210 | V206-S208 PolarHBondContact O-N 2.99Å; S208-I210 PolarHBondContact O-N 3.27Å |
| 209 | C | 41.3 | Very low | 42.5 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | | | trans | -66.9 | 100.4 | 174.6 | -53.7 | 0 | 0 | 0 | 0 | 109.1 | S207 N211 | S207-C209 PolarHBondContact O-N 2.84Å; C209-N211 PolarHBondContact O-N 2.72Å |
| 210 | I | 44.8 | Very low | 42.8 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | | | trans | -67.2 | 98 | 169.6 | -71.4 | 168.2 | 0 | 0 | 0 | 107.8 | S208 G212 | S208-I210 PolarHBondContact O-N 3.27Å; I210-G212 PolarHBondContact O-N 3.08Å; I210-G212 VanDerWaalsContact O-N 3.13Å |
| 211 | N | 42.1 | Very low | 43.1 | Very low | 156 Ų | 156 | 130 Ų | 130 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | | | trans | -70.5 | 100.1 | 162 | -105.6 | 10.7 | 0 | 0 | 0 | 107.2 | C209 S213 | C209-N211 PolarHBondContact O-N 2.72Å; N211-S213 PolarHBondContact O-N 3.13Å |
| 212 | G | 32.7 | Very low | 43.1 | Very low | 57 Ų | 57 | 133.1 Ų | 133.1 | 59% | 0.588 | 76% | 0.763 | S | S | * | * | | | trans | -66.3 | 97.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I210 | I210-G212 PolarHBondContact O-N 3.08Å; I210-G212 VanDerWaalsContact O-N 3.13Å |
| 213 | S | 38 | Very low | 43.4 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | | | trans | -96.3 | 101.8 | 153.9 | 68.4 | 0 | 0 | 0 | 0 | 108 | N211 V215 | N211-S213 PolarHBondContact O-N 3.13Å; S213-V215 PolarHBondContact O-N 3.17Å |
| 214 | Y | 37.7 | Very low | 43.5 | Very low | 224 Ų | 224 | 129.8 Ų | 129.8 | 88% | 0.878 | 75% | 0.752 | S | S | * | * | | | trans | -66.4 | 91.9 | 173.2 | -72.3 | -98.3 | 0 | 0 | 0 | 109.2 | | |
| 215 | V | 45.5 | Very low | 43.7 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | | | trans | -102.7 | 121.3 | 157.4 | 178.7 | 0 | 0 | 0 | 0 | 105.4 | S213 G217 | S213-V215 PolarHBondContact O-N 3.17Å; V215-G217 PolarHBondContact O-N 3.14Å |
| 216 | N | 42.6 | Very low | 43.6 | Very low | 174 Ų | 174 | 132.6 Ų | 132.6 | 93% | 0.93 | 76% | 0.756 | S | S | * | * | | | trans | -62.5 | 60.2 | 176 | -80.7 | -42.8 | 0 | 0 | 0 | 111.7 | | |
| 217 | G | 39.8 | Very low | 44 | Very low | 56 Ų | 56 | 131 Ų | 131 | 58% | 0.577 | 75% | 0.75 | S | S | * | * | | | trans | -93.3 | 126.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | V215 | V215-G217 PolarHBondContact O-N 3.14Š|
| 218 | E | 39 | Very low | 44.4 | Very low | 177 Ų | 177 | 134 Ų | 134 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | | | trans | -37.9 | 136.9 | 167.6 | -162.7 | 176.2 | -165.8 | 0 | 0 | 110.7 | V220 | E218-V220 PolarHBondContact O-N 3.26Š|
| 219 | P | 43.6 | Very low | 44.6 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 69% | 0.688 | 75% | 0.746 | S | S | * | * | | | trans | -59.5 | 101.8 | -177.6 | 24.4 | -33 | 0 | 0 | 0 | 108.5 | N221 | P219-N221 PolarHBondContact O-N 2.93Š|
| 220 | V | 46.4 | Very low | 44.8 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | | | trans | -63.1 | 101 | 162.4 | -176.8 | 0 | 0 | 0 | 0 | 103.3 | E218 E222 | E218-V220 PolarHBondContact O-N 3.26Å; V220-E222 HydrophobicContact CG1-CG 3.93Å; V220-E222 PolarHBondContact O-N 2.97Å |
| 221 | N | 46.4 | Very low | 44.6 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | | | trans | -63.8 | 81.6 | 162.3 | -76.8 | -44.4 | 0 | 0 | 0 | 105 | P219 S223 | P219-N221 PolarHBondContact O-N 2.93Å; N221-S223 PolarHBondContact O-N 3.06Å |
| 222 | E | 46.6 | Very low | 45 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 73% | 0.729 | 72% | 0.72 | S | S | * | * | | | trans | -58.6 | 96 | 157.5 | -72.5 | -179.7 | -175.6 | 0 | 0 | 103.6 | V220 I224 | V220-E222 HydrophobicContact CG1-CG 3.93Å; V220-E222 PolarHBondContact O-N 2.97Å; E222-I224 PolarHBondContact O-N 2.67Å |
| 223 | S | 48.5 | Very low | 46 | Very low | 88 Ų | 88 | 134.5 Ų | 134.5 | 62% | 0.615 | 73% | 0.733 | S | S | * | * | | | trans | -54.3 | 99 | 160.7 | 46 | 0 | 0 | 0 | 0 | 104.1 | N221 N225 | N221-S223 PolarHBondContact O-N 3.06Å; S223-N225 PolarHBondContact O-N 2.93Å |
| 224 | I | 51 | Low | 46.2 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | | | trans | -65.1 | 80.9 | 167.2 | -49.8 | 170.7 | 0 | 0 | 0 | 103.1 | E222 K226 | E222-I224 PolarHBondContact O-N 2.67Å; I224-K226 PolarHBondContact O-N 2.95Å |
| 225 | N | 51.2 | Low | 46.4 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 70% | 0.695 | 72% | 0.719 | S | S | * | * | | | trans | -56.5 | 104.6 | 163.6 | -76.2 | -18.7 | 0 | 0 | 0 | 102.2 | S223 S227 | S223-N225 PolarHBondContact O-N 2.93Å; N225-S227 PolarHBondContact O-N 2.84Å |
| 226 | K | 47.3 | Very low | 46 | Very low | 198 Ų | 198 | 129.5 Ų | 129.5 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | | | trans | -62.2 | 87.9 | 169.7 | -67.4 | -177.2 | 178.1 | -176.6 | 0 | 104.7 | I224 E228 | I224-K226 PolarHBondContact O-N 2.95Å; K226-E228 PolarHBondContact O-N 3Å; K226-E228 VanDerWaalsContact O-N 3.08Å |
| 227 | S | 50.5 | Low | 45.9 | Very low | 94 Ų | 94 | 126.3 Ų | 126.3 | 66% | 0.657 | 71% | 0.705 | S | S | * | * | | | trans | -63.2 | 107.8 | 163.4 | 47.8 | 0 | 0 | 0 | 0 | 104.3 | N225 D229 | N225-S227 PolarHBondContact O-N 2.84Å; S227-D229 PolarHBondContact O-N 3.02Å; S227-D229 VanDerWaalsContact O-N 3.13Å |
| 228 | E | 51.3 | Low | 46 | Very low | 173 Ų | 173 | 131.1 Ų | 131.1 | 81% | 0.808 | 71% | 0.712 | S | S | * | * | | | trans | -61.2 | 113 | 165 | -174.8 | 166.5 | -173 | 0 | 0 | 106 | K226 V230 | K226-E228 PolarHBondContact O-N 3Å; K226-E228 VanDerWaalsContact O-N 3.08Å; E228-V230 PolarHBondContact O-N 3.05Å |
| 229 | D | 49.5 | Very low | 46.4 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 65% | 0.647 | 71% | 0.709 | S | S | * | * | | | trans | -64.6 | 88.9 | 175.7 | -83.3 | -20.6 | 0 | 0 | 0 | 107.9 | S227 L231 | S227-D229 PolarHBondContact O-N 3.02Å; S227-D229 VanDerWaalsContact O-N 3.13Å; D229-L231 PolarHBondContact O-N 3.18Å |
| 230 | V | 45.7 | Very low | 46.6 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 66% | 0.661 | 71% | 0.71 | S | S | * | * | | | trans | -73.5 | 98.5 | 171.2 | -175.2 | 0 | 0 | 0 | 0 | 106.9 | E228 V232 | E228-V230 PolarHBondContact O-N 3.05Å; V230-V232 VanDerWaalsContact C-N 3.32Å; V230-V232 HydrophobicContact CG1-CG2 3.86Å; V230-V232 PolarHBondContact O-N 3.43Å |
| 231 | L | 40.9 | Very low | 46.9 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 64% | 0.639 | 71% | 0.709 | S | S | * | * | | | trans | -67.8 | 88 | 173.1 | -69 | 170.7 | 0 | 0 | 0 | 109.7 | D229 N233 | D229-L231 PolarHBondContact O-N 3.18Å; L231-N233 PolarHBondContact O-N 3.19Å |
| 232 | V | 50.3 | Low | 46.9 | Very low | 92 Ų | 92 | 131.9 Ų | 131.9 | 56% | 0.558 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -83.9 | 113.1 | 169.3 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | V230 G234 | V230-V232 VanDerWaalsContact C-N 3.32Å; V230-V232 HydrophobicContact CG1-CG2 3.86Å; V230-V232 PolarHBondContact O-N 3.43Å; V232-G234 PolarHBondContact O-N 2.82Å; V232-G234 VanDerWaalsContact O-N 3.1Å |
| 233 | N | 54.9 | Low | 46.8 | Very low | 161 Ų | 161 | 127.8 Ų | 127.8 | 86% | 0.861 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.6 | 25.4 | 173.9 | -76.8 | 11.1 | 0 | 0 | 0 | 116.9 | L231 N235 | L231-N233 PolarHBondContact O-N 3.19Å; N233-N235 VanDerWaalsContact C-N 3.28Å; N233-N235 PolarHBondContact O-N 2.98Å |
| 234 | G | 42.1 | Very low | 46.8 | Very low | 62 Ų | 62 | 129.3 Ų | 129.3 | 64% | 0.639 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.2 | 10.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | V232 | V232-G234 PolarHBondContact O-N 2.82Å; V232-G234 VanDerWaalsContact O-N 3.1Å |
| 235 | N | 41.1 | Very low | 46.6 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 67% | 0.674 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -111.6 | 125.9 | 170 | -74.7 | -11.3 | 0 | 0 | 0 | 108.9 | N233 T237 | N233-N235 VanDerWaalsContact C-N 3.28Å; N233-N235 PolarHBondContact O-N 2.98Å; N235-T237 VanDerWaalsContact C-N 3.31Å; N235-T237 PolarHBondContact O-N 2.91Å |
| 236 | H | 38.3 | Very low | 46.6 | Very low | 158 Ų | 158 | 126.8 Ų | 126.8 | 73% | 0.731 | 71% | 0.707 | S | S | * | * | | | trans | -62.3 | 93.4 | 169 | -77.8 | -69.1 | 0 | 0 | 0 | 109 | H238 | H236-H238 VanDerWaalsContact C-N 3.27Å; H236-H238 PolarHBondContact O-N 2.77Å; H236-H238 VanDerWaalsContact O-N 3.09Å |
| 237 | T | 40.2 | Very low | 46.6 | Very low | 108 Ų | 108 | 123.9 Ų | 123.9 | 66% | 0.663 | 70% | 0.701 | S | S | * | * | | | trans | -77.4 | 89.3 | 162.5 | 47.9 | 0 | 0 | 0 | 0 | 106.7 | N235 E239 | N235-T237 VanDerWaalsContact C-N 3.31Å; N235-T237 PolarHBondContact O-N 2.91Å; T237-E239 PolarHBondContact O-N 2.82Å |
| 238 | H | 42.2 | Very low | 46.3 | Very low | 156 Ų | 156 | 124.6 Ų | 124.6 | 72% | 0.722 | 70% | 0.697 | S | S | * | * | | | trans | -70 | 83.3 | 162.6 | -166.2 | -65.5 | 0 | 0 | 0 | 106.3 | H236 E240 | H236-H238 VanDerWaalsContact C-N 3.27Å; H236-H238 PolarHBondContact O-N 2.77Å; H236-H238 VanDerWaalsContact O-N 3.09Å; H238-E240 VanDerWaalsContact ND1-CG 3.33Å; H238-E240 WeakPolarHBondContact ND1-CG 3.27Å; H238-E240 PolarHBondContact O-N 2.94Å |
| 239 | E | 45.5 | Very low | 46.3 | Very low | 165 Ų | 165 | 121 Ų | 121 | 77% | 0.771 | 70% | 0.697 | S | S | * | * | | | trans | -65.5 | 98 | 160 | -93.8 | -171.9 | 161.6 | 0 | 0 | 105.7 | T237 V241 | T237-E239 PolarHBondContact O-N 2.82Å; E239-V241 PolarHBondContact O-N 2.81Å |
| 240 | E | 49.6 | Very low | 46.3 | Very low | 148 Ų | 148 | 121.9 Ų | 121.9 | 69% | 0.692 | 70% | 0.701 | S | S | * | * | | | trans | -58.4 | 93.8 | 157.7 | -71.9 | -178 | 168.1 | 0 | 0 | 106.1 | H238 N242 | H238-E240 VanDerWaalsContact ND1-CG 3.33Å; H238-E240 WeakPolarHBondContact ND1-CG 3.27Å; H238-E240 PolarHBondContact O-N 2.94Å; E240-N242 PolarHBondContact O-N 3.02Å |
| 241 | V | 51.2 | Low | 46.4 | Very low | 118 Ų | 118 | 119 Ų | 119 | 72% | 0.715 | 69% | 0.694 | S | S | * | * | | | trans | -66.5 | 87.8 | 164.7 | -167.8 | 0 | 0 | 0 | 0 | 104.1 | E239 G243 | E239-V241 PolarHBondContact O-N 2.81Å; V241-G243 PolarHBondContact O-N 3.18Å |
| 242 | N | 47.4 | Very low | 46.8 | Very low | 137 Ų | 137 | 124.3 Ų | 124.3 | 73% | 0.733 | 71% | 0.707 | S | S | * | * | | | trans | -43.6 | 114.9 | 173.6 | -102.4 | -12.3 | 0 | 0 | 0 | 106.3 | E240 V244 | E240-N242 PolarHBondContact O-N 3.02Å; N242-V244 PolarHBondContact O-N 3.26Å |
| 243 | G | 43.1 | Very low | 46.9 | Very low | 69 Ų | 69 | 122.7 Ų | 122.7 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | | | trans | -44.4 | 117.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | V241 D245 | V241-G243 PolarHBondContact O-N 3.18Å; G243-D245 VanDerWaalsContact C-N 3.33Å; G243-D245 PolarHBondContact O-N 2.9Å |
| 244 | V | 49.5 | Very low | 46.8 | Very low | 121 Ų | 121 | 119.3 Ų | 119.3 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | | | trans | -58 | 105.9 | 177.1 | 177.7 | 0 | 0 | 0 | 0 | 105 | N242 C246 | N242-V244 PolarHBondContact O-N 3.26Å; V244-C246 VanDerWaalsContact C-N 3.32Å; V244-C246 PolarHBondContact O-N 3.48Å; V244-C246 PolarHBondContact O-SG 3.22Å |
| 245 | D | 47.2 | Very low | 47.5 | Very low | 108 Ų | 108 | 121.2 Ų | 121.2 | 58% | 0.578 | 68% | 0.681 | S | S | * | * | | | trans | -64.4 | 99.3 | 178.4 | -176.3 | 5.1 | 0 | 0 | 0 | 107.2 | G243 N247 N248 | G243-D245 VanDerWaalsContact C-N 3.33Å; G243-D245 PolarHBondContact O-N 2.9Å; D245-N247 PolarHBondContact O-N 3.29Å; D245-N247 VanDerWaalsContact OD1-CB 3.27Å; D245-N247 WeakPolarHBondContact OD1-CB 3.33Å; D245-N247 PolarHBondContact OD1-N 3.03Å; D245-N247 VanDerWaalsContact OD1-N 3.14Å; D245-N247 PolarHBondContact OD1-ND2 3.12Å; D245-N248 PolarHBondContact O-N 3.23Å |
| 246 | C | 51.6 | Low | 48 | Very low | 116 Ų | 116 | 120.2 Ų | 120.2 | 78% | 0.784 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -5.1 | -179.5 | -50 | 0 | 0 | 0 | 0 | 112.3 | V244 | V244-C246 VanDerWaalsContact C-N 3.32Å; V244-C246 PolarHBondContact O-N 3.48Å; V244-C246 PolarHBondContact O-SG 3.22Å |
| 247 | N | 47.1 | Very low | 49 | Very low | 138 Ų | 138 | 117 Ų | 117 | 74% | 0.738 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -2.6 | -177.2 | -58.4 | -56 | 0 | 0 | 0 | 114.1 | D245 A249 | D245-N247 PolarHBondContact O-N 3.29Å; D245-N247 VanDerWaalsContact OD1-CB 3.27Å; D245-N247 WeakPolarHBondContact OD1-CB 3.33Å; D245-N247 PolarHBondContact OD1-N 3.03Å; D245-N247 VanDerWaalsContact OD1-N 3.14Å; D245-N247 PolarHBondContact OD1-ND2 3.12Å; N247-A249 VanDerWaalsContact C-N 3.29Å; N247-A249 PolarHBondContact O-N 2.67Å |
| 248 | N | 44.4 | Very low | 49.8 | Very low | 109 Ų | 109 | 115.7 Ų | 115.7 | 58% | 0.583 | 65% | 0.651 | S | S | * | * | | | trans | -85.2 | 73.7 | 171 | -161 | 5.3 | 0 | 0 | 0 | 111.6 | D245 N250 G251 | D245-N248 PolarHBondContact O-N 3.23Å; N248-N250 PolarHBondContact O-N 3.19Å; N248-N250 WeakPolarHBondContact OD1-CB 3.23Å; N248-N250 PolarHBondContact OD1-N 3Å; N248-G251 PolarHBondContact O-N 2.92Å |
| 249 | A | 49.8 | Very low | 50.3 | Low | 97 Ų | 97 | 113.5 Ų | 113.5 | 80% | 0.802 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -0.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N247 | N247-A249 VanDerWaalsContact C-N 3.29Å; N247-A249 PolarHBondContact O-N 2.67Å |
| 250 | N | 50.2 | Low | 50.8 | Low | 139 Ų | 139 | 109 Ų | 109 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 13.8 | 177.2 | -89.6 | 12.2 | 0 | 0 | 0 | 113.5 | N248 Y252 | N248-N250 PolarHBondContact O-N 3.19Å; N248-N250 WeakPolarHBondContact OD1-CB 3.23Å; N248-N250 PolarHBondContact OD1-N 3Å; N250-Y252 PolarHBondContact O-N 2.94Å |
| 251 | G | 47.2 | Very low | 51.2 | Low | 49 Ų | 49 | 109.5 Ų | 109.5 | 51% | 0.505 | 63% | 0.628 | S | S | . | * | | | trans | -58.3 | 109.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | N248 A253 | N248-G251 PolarHBondContact O-N 2.92Å; G251-A253 PolarHBondContact O-N 2.92Å |
| 252 | Y | 50.3 | Low | 51.5 | Low | 233 Ų | 233 | 108.7 Ų | 108.7 | 91% | 0.914 | 62% | 0.619 | S | S | * | * | | | trans | -52.3 | 89.9 | 162.2 | -93.9 | -102.1 | 0 | 0 | 0 | 105.8 | N250 D254 | N250-Y252 PolarHBondContact O-N 2.94Å; Y252-D254 VanDerWaalsContact C-N 3.26Å; Y252-D254 PolarHBondContact O-N 2.89Å |
| 253 | A | 53 | Low | 52.1 | Low | 58 Ų | 58 | 106 Ų | 106 | 48% | 0.479 | 62% | 0.615 | S | S | . | * | | | trans | -65.3 | 104.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 102.5 | G251 D255 I258 | G251-A253 PolarHBondContact O-N 2.92Å; A253-D255 PolarHBondContact O-N 2.84Å; A253-I258 HydrophobicContact CB-CD1 3.69Å; A253-I258 HydrophobicContact CB-CG1 4.47Å |
| 254 | D | 51 | Low | 52.8 | Low | 91 Ų | 91 | 109.7 Ų | 109.7 | 49% | 0.487 | 62% | 0.619 | S | S | . | * | | | trans | -48.9 | 105.9 | -179.6 | -158.4 | -7.7 | 0 | 0 | 0 | 106.3 | Y252 N256 I257 I258 | Y252-D254 VanDerWaalsContact C-N 3.26Å; Y252-D254 PolarHBondContact O-N 2.89Å; D254-N256 PolarHBondContact O-N 3.27Å; D254-I257 HydrophobicContact CB-CD1 3.92Å; D254-I257 HydrophobicContact CB-CG1 4.07Å; D254-I257 WeakPolarHBondContact O-CB 3.4Å; D254-I257 PolarHBondContact O-N 3.09Å; D254-I258 PolarHBondContact O-N 2.77Å |
| 255 | D | 56.7 | Low | 53.1 | Low | 102 Ų | 102 | 109.4 Ų | 109.4 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -56.5 | -24.9 | -168.9 | -79.3 | -35.7 | 0 | 0 | 0 | 110.1 | A253 I257 I258 Q259 | A253-D255 PolarHBondContact O-N 2.84Å; D255-I257 PolarHBondContact O-N 3.1Å; D255-I258 PolarHBondContact O-N 3.5Å; D255-Q259 VanDerWaalsContact O-CB 3.32Å; D255-Q259 WeakPolarHBondContact O-CB 3.48Å; D255-Q259 VanDerWaalsContact O-CG 3.25Å; D255-Q259 WeakPolarHBondContact O-CG 3.46Å; D255-Q259 PolarHBondContact O-N 3.42Å |
| 256 | N | 53.3 | Low | 53.5 | Low | 105 Ų | 105 | 112.8 Ų | 112.8 | 56% | 0.561 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -60.5 | -38.9 | 172.6 | -65.4 | -32.7 | 0 | 0 | 0 | 113.5 | D254 S260 | D254-N256 PolarHBondContact O-N 3.27Å; N256-S260 VanDerWaalsContact O-CB 3.28Å; N256-S260 WeakPolarHBondContact O-CB 3.41Å; N256-S260 PolarHBondContact O-N 2.92Å; N256-S260 PolarHBondContact O-OG 2.8Å |
| 257 | I | 58.7 | Low | 53.7 | Low | 91 Ų | 91 | 113.2 Ų | 113.2 | 47% | 0.467 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.8 | -42.2 | 177.2 | -62.4 | 174.2 | 0 | 0 | 0 | 109.8 | D254 D255 S260 K261 | D254-I257 HydrophobicContact CB-CD1 3.92Å; D254-I257 HydrophobicContact CB-CG1 4.07Å; D254-I257 WeakPolarHBondContact O-CB 3.4Å; D254-I257 PolarHBondContact O-N 3.09Å; D255-I257 PolarHBondContact O-N 3.1Å; I257-S260 WeakPolarHBondContact CA-OG 3.25Å; I257-S260 PolarHBondContact O-OG 3.34Å; I257-S260 VanDerWaalsContact O-OG 3.12Å; I257-K261 HydrophobicContact CG2-CD 4.49Å; I257-K261 WeakPolarHBondContact O-CB 3.29Å; I257-K261 WeakPolarHBondContact O-CG 3.32Å; I257-K261 PolarHBondContact O-N 2.64Å |
| 258 | I | 56 | Low | 54.2 | Low | 80 Ų | 80 | 114.4 Ų | 114.4 | 41% | 0.41 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.7 | -47.9 | 176.5 | -63.9 | 176.6 | 0 | 0 | 0 | 109.4 | A253 D254 D255 S260 K261 L262 | A253-I258 HydrophobicContact CB-CD1 3.69Å; A253-I258 HydrophobicContact CB-CG1 4.47Å; D254-I258 PolarHBondContact O-N 2.77Å; D255-I258 PolarHBondContact O-N 3.5Å; I258-S260 PolarHBondContact O-N 3.5Å; I258-K261 PolarHBondContact O-N 3.08Å; I258-L262 HydrophobicContact CG2-CD1 3.67Å; I258-L262 HydrophobicContact CG2-CG 4.23Å; I258-L262 WeakPolarHBondContact O-CB 3.34Å; I258-L262 VanDerWaalsContact O-CG 3.23Å; I258-L262 WeakPolarHBondContact O-CG 3.28Å; I258-L262 PolarHBondContact O-N 3.12Å |
| 259 | Q | 54 | Low | 54.7 | Low | 109 Ų | 109 | 115.4 Ų | 115.4 | 51% | 0.509 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -60.8 | -43.4 | 177.9 | -75.5 | -178.7 | 19.6 | 0 | 0 | 112.2 | D255 K261 L262 A263 | D255-Q259 VanDerWaalsContact O-CB 3.32Å; D255-Q259 WeakPolarHBondContact O-CB 3.48Å; D255-Q259 VanDerWaalsContact O-CG 3.25Å; D255-Q259 WeakPolarHBondContact O-CG 3.46Å; D255-Q259 PolarHBondContact O-N 3.42Å; Q259-K261 PolarHBondContact O-N 2.79Å; Q259-L262 PolarHBondContact O-N 3.44Å; Q259-A263 VanDerWaalsContact O-CB 3.29Å; Q259-A263 WeakPolarHBondContact O-CB 3.48Å; Q259-A263 PolarHBondContact O-N 3.49Å |
| 260 | S | 55.4 | Low | 54.3 | Low | 71 Ų | 71 | 114.4 Ų | 114.4 | 50% | 0.497 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.3 | -33.8 | 179 | 47.7 | 0 | 0 | 0 | 0 | 113 | N256 I257 I258 | N256-S260 VanDerWaalsContact O-CB 3.28Å; N256-S260 WeakPolarHBondContact O-CB 3.41Å; N256-S260 PolarHBondContact O-N 2.92Å; N256-S260 PolarHBondContact O-OG 2.8Å; I257-S260 WeakPolarHBondContact CA-OG 3.25Å; I257-S260 PolarHBondContact O-OG 3.34Å; I257-S260 VanDerWaalsContact O-OG 3.12Å; I258-S260 PolarHBondContact O-N 3.5Å |
| 261 | K | 57.7 | Low | 54.1 | Low | 158 Ų | 158 | 115.1 Ų | 115.1 | 69% | 0.687 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.4 | -34.5 | 171.3 | -73.2 | -172.7 | 179.1 | -170.6 | 0 | 112.7 | I257 I258 Q259 | I257-K261 HydrophobicContact CG2-CD 4.49Å; I257-K261 WeakPolarHBondContact O-CB 3.29Å; I257-K261 WeakPolarHBondContact O-CG 3.32Å; I257-K261 PolarHBondContact O-N 2.64Å; I258-K261 PolarHBondContact O-N 3.08Å; Q259-K261 PolarHBondContact O-N 2.79Å |
| 262 | L | 58.4 | Low | 54.1 | Low | 102 Ų | 102 | 117.8 Ų | 117.8 | 53% | 0.534 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -80.9 | -25.4 | 179.2 | -67.4 | 177.7 | 0 | 0 | 0 | 113.3 | I258 Q259 N264 L265 | I258-L262 HydrophobicContact CG2-CD1 3.67Å; I258-L262 HydrophobicContact CG2-CG 4.23Å; I258-L262 WeakPolarHBondContact O-CB 3.34Å; I258-L262 VanDerWaalsContact O-CG 3.23Å; I258-L262 WeakPolarHBondContact O-CG 3.28Å; I258-L262 PolarHBondContact O-N 3.12Å; Q259-L262 PolarHBondContact O-N 3.44Å; L262-N264 PolarHBondContact O-N 2.86Å; L262-N264 VanDerWaalsContact O-N 3.12Å; L262-L265 HydrophobicContact CD2-CD1 3.93Å; L262-L265 PolarHBondContact O-N 3.3Å |
| 263 | A | 60.4 | Low | 53.8 | Low | 79 Ų | 79 | 115.2 Ų | 115.2 | 65% | 0.653 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -25.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q259 | Q259-A263 VanDerWaalsContact O-CB 3.29Å; Q259-A263 WeakPolarHBondContact O-CB 3.48Å; Q259-A263 PolarHBondContact O-N 3.49Å |
| 264 | N | 56.5 | Low | 53.6 | Low | 147 Ų | 147 | 118.1 Ų | 118.1 | 79% | 0.786 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 0.7 | 178.7 | -64.7 | -30.5 | 0 | 0 | 0 | 113.8 | L262 E266 | L262-N264 PolarHBondContact O-N 2.86Å; L262-N264 VanDerWaalsContact O-N 3.12Å; N264-E266 PolarHBondContact O-N 3.48Å |
| 265 | L | 55.8 | Low | 53.4 | Low | 116 Ų | 116 | 120.7 Ų | 120.7 | 61% | 0.607 | 66% | 0.659 | S | S | * | * | | | trans | -90.3 | 91.2 | 177.4 | -66.1 | 177.3 | 0 | 0 | 0 | 109.2 | L262 L267 | L262-L265 HydrophobicContact CD2-CD1 3.93Å; L262-L265 PolarHBondContact O-N 3.3Å; L265-L267 PolarHBondContact O-N 3Å |
| 266 | E | 55.6 | Low | 52.7 | Low | 179 Ų | 179 | 118.6 Ų | 118.6 | 84% | 0.836 | 66% | 0.661 | S | S | * | * | | | trans | -66 | 114.7 | 168.2 | -169 | 173.4 | -168.1 | 0 | 0 | 109 | N264 I268 | N264-E266 PolarHBondContact O-N 3.48Å; E266-I268 PolarHBondContact O-N 2.8Å |
| 267 | L | 55.3 | Low | 52.2 | Low | 125 Ų | 125 | 121.5 Ų | 121.5 | 65% | 0.654 | 67% | 0.67 | S | S | * | * | | | trans | -70.2 | 96.6 | 175.7 | -64.2 | 176.8 | 0 | 0 | 0 | 108.6 | L265 N269 | L265-L267 PolarHBondContact O-N 3Å; L267-N269 PolarHBondContact O-N 2.77Å |
| 268 | I | 59 | Low | 51.3 | Low | 163 Ų | 163 | 125.7 Ų | 125.7 | 84% | 0.836 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -59.9 | -12.8 | 179.2 | -38.6 | 178.7 | 0 | 0 | 0 | 112 | E266 | E266-I268 PolarHBondContact O-N 2.8Š|
| 269 | N | 53.9 | Low | 50.6 | Low | 129 Ų | 129 | 129.9 Ų | 129.9 | 69% | 0.69 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -102 | 76 | 173.3 | -72.9 | -20.7 | 0 | 0 | 0 | 111.6 | L267 H271 | L267-N269 PolarHBondContact O-N 2.77Å; N269-H271 PolarHBondContact O-CD2 2.91Å; N269-H271 PolarHBondContact O-N 2.93Å |
| 270 | G | 41.6 | Very low | 50 | Low | 77 Ų | 77 | 132.7 Ų | 132.7 | 79% | 0.794 | 71% | 0.712 | S | S | * | * | | | trans | 34.1 | 29.4 | 141.2 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 271 | H | 47.2 | Very low | 49.4 | Very low | 153 Ų | 153 | 134.5 Ų | 134.5 | 71% | 0.708 | 72% | 0.72 | S | S | * | * | | | trans | -106.1 | 96.6 | 178.1 | -71.7 | -55.7 | 0 | 0 | 0 | 108.2 | N269 E273 | N269-H271 PolarHBondContact O-CD2 2.91Å; N269-H271 PolarHBondContact O-N 2.93Å; H271-E273 PolarHBondContact O-N 3.11Å |
| 272 | S | 46.5 | Very low | 48.7 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | | | trans | -14.6 | 121.5 | 167.1 | 56.5 | 0 | 0 | 0 | 0 | 114.2 | V274 | S272-V274 PolarHBondContact O-N 2.9Š|
| 273 | E | 42.7 | Very low | 47.9 | Very low | 180 Ų | 180 | 134.2 Ų | 134.2 | 84% | 0.841 | 73% | 0.731 | S | S | * | * | | | trans | 14.1 | 96.7 | 149.4 | -62.6 | 169.7 | -152.7 | 0 | 0 | 113.2 | H271 N275 | H271-E273 PolarHBondContact O-N 3.11Å; E273-N275 VanDerWaalsContact C-N 3.31Å; E273-N275 PolarHBondContact O-N 2.77Å |
| 274 | V | 49.6 | Very low | 46.9 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | | | trans | -59.3 | 104.8 | 161.5 | 177.2 | 0 | 0 | 0 | 0 | 104.8 | S272 G276 | S272-V274 PolarHBondContact O-N 2.9Å; V274-G276 VanDerWaalsContact C-N 3.31Å; V274-G276 PolarHBondContact O-N 3.47Å |
| 275 | N | 46.2 | Very low | 46.2 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | | | trans | -43.5 | 104.8 | 166.9 | -98.6 | 2.6 | 0 | 0 | 0 | 106.4 | E273 F277 | E273-N275 VanDerWaalsContact C-N 3.31Å; E273-N275 PolarHBondContact O-N 2.77Å; N275-F277 PolarHBondContact O-N 2.95Å; N275-F277 VanDerWaalsContact O-N 3.08Å |
| 276 | G | 42 | Very low | 45.5 | Very low | 57 Ų | 57 | 135.4 Ų | 135.4 | 59% | 0.588 | 74% | 0.735 | S | S | * | * | | | trans | -50.7 | 123.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | V274 H278 | V274-G276 VanDerWaalsContact C-N 3.31Å; V274-G276 PolarHBondContact O-N 3.47Å; G276-H278 PolarHBondContact O-N 2.88Å |
| 277 | F | 43.1 | Very low | 44.9 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 73% | 0.732 | 73% | 0.731 | S | S | * | * | | | trans | -56 | 98.8 | 167.6 | -86.7 | -97.9 | 0 | 0 | 0 | 106.2 | N275 Y279 | N275-F277 PolarHBondContact O-N 2.95Å; N275-F277 VanDerWaalsContact O-N 3.08Å; F277-Y279 HydrophobicContact CB-CD2 4.35Å; F277-Y279 HydrophobicContact CB-CE2 3.92Å; F277-Y279 WeakPolarHBondContact O-CD2 3.41Å; F277-Y279 PolarHBondContact O-N 3.06Å |
| 278 | H | 39.5 | Very low | 44.3 | Very low | 178 Ų | 178 | 132.4 Ų | 132.4 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | | | trans | -67.5 | 93.5 | 168.7 | -88 | -63 | 0 | 0 | 0 | 106.1 | G276 E280 | G276-H278 PolarHBondContact O-N 2.88Å; H278-E280 PolarHBondContact O-N 2.91Å |
| 279 | Y | 43.1 | Very low | 43.2 | Very low | 168 Ų | 168 | 131.9 Ų | 131.9 | 66% | 0.659 | 73% | 0.73 | S | S | * | * | | | trans | -67.6 | 91.3 | 159 | -65.6 | -80.2 | 0 | 0 | 0 | 106.1 | F277 T281 | F277-Y279 HydrophobicContact CB-CD2 4.35Å; F277-Y279 HydrophobicContact CB-CE2 3.92Å; F277-Y279 WeakPolarHBondContact O-CD2 3.41Å; F277-Y279 PolarHBondContact O-N 3.06Å; Y279-T281 PolarHBondContact O-N 2.8Å |
| 280 | E | 41 | Very low | 42.8 | Very low | 168 Ų | 168 | 133 Ų | 133 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | | | trans | -65.4 | 90 | 156.9 | -72.2 | -172.9 | 179.3 | 0 | 0 | 106.1 | H278 T282 | H278-E280 PolarHBondContact O-N 2.91Å; E280-T282 PolarHBondContact O-N 2.9Å |
| 281 | T | 41.3 | Very low | 42.7 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | | | trans | -64.6 | 89.5 | 165.6 | -52.9 | 0 | 0 | 0 | 0 | 106.1 | Y279 N283 | Y279-T281 PolarHBondContact O-N 2.8Å; T281-N283 PolarHBondContact O-N 2.71Å |
| 282 | T | 43 | Very low | 42.5 | Very low | 113 Ų | 113 | 143.1 Ų | 143.1 | 69% | 0.693 | 76% | 0.757 | S | S | * | * | | | trans | -62.7 | 97.8 | 163.6 | 51.9 | 0 | 0 | 0 | 0 | 105.5 | E280 S284 | E280-T282 PolarHBondContact O-N 2.9Å; T282-S284 PolarHBondContact O-N 2.84Å |
| 283 | N | 41.8 | Very low | 42.3 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | trans | -61.2 | 79.3 | 158.9 | -79.8 | -25 | 0 | 0 | 0 | 106.3 | T281 V285 | T281-N283 PolarHBondContact O-N 2.71Å; N283-V285 PolarHBondContact O-N 2.85Å |
| 284 | S | 40.3 | Very low | 42.3 | Very low | 93 Ų | 93 | 143.2 Ų | 143.2 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | | | trans | -71 | 80.6 | 162.6 | 177.2 | 0 | 0 | 0 | 0 | 105.1 | T282 M286 | T282-S284 PolarHBondContact O-N 2.84Å; S284-M286 PolarHBondContact O-N 2.83Å |
| 285 | V | 41.5 | Very low | 41.9 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | | | trans | -56.6 | 99 | 159.6 | 177.6 | 0 | 0 | 0 | 0 | 104.3 | N283 L287 | N283-V285 PolarHBondContact O-N 2.85Å; V285-L287 PolarHBondContact O-N 2.85Å |
| 286 | M | 41.5 | Very low | 41.6 | Very low | 162 Ų | 162 | 144.6 Ų | 144.6 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | | | trans | -60.2 | 99.1 | 164 | -83.4 | -147.3 | 154.7 | 0 | 0 | 105.5 | S284 S288 | S284-M286 PolarHBondContact O-N 2.83Å; M286-S288 PolarHBondContact O-N 2.86Å |
| 287 | L | 42.6 | Very low | 41.6 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | trans | -62.3 | 98.4 | 159 | -79.9 | 154.8 | 0 | 0 | 0 | 104.9 | V285 N289 | V285-L287 PolarHBondContact O-N 2.85Å; L287-N289 VanDerWaalsContact C-N 3.28Å; L287-N289 PolarHBondContact O-N 2.94Å |
| 288 | S | 42.3 | Very low | 41.5 | Very low | 96 Ų | 96 | 149.2 Ų | 149.2 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | | | trans | -56.9 | 97.8 | 167 | -51.9 | 0 | 0 | 0 | 0 | 107.3 | M286 D290 | M286-S288 PolarHBondContact O-N 2.86Å; S288-D290 PolarHBondContact O-N 3.12Å; S288-D290 VanDerWaalsContact O-N 3.12Å |
| 289 | N | 37.5 | Very low | 41.6 | Very low | 151 Ų | 151 | 147 Ų | 147 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | | | trans | -80.3 | 73.8 | 163.8 | -74.5 | -21.8 | 0 | 0 | 0 | 106.8 | L287 | L287-N289 VanDerWaalsContact C-N 3.28Å; L287-N289 PolarHBondContact O-N 2.94Å |
| 290 | D | 45.5 | Very low | 41.5 | Very low | 152 Ų | 152 | 145.3 Ų | 145.3 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | trans | -87.2 | 120.7 | 164.3 | -73.7 | -28.9 | 0 | 0 | 0 | 108.1 | S288 | S288-D290 PolarHBondContact O-N 3.12Å; S288-D290 VanDerWaalsContact O-N 3.12Å |
| 291 | Y | 39.5 | Very low | 41.5 | Very low | 300 Ų | 300 | 143.2 Ų | 143.2 | 100% | 1.176 | 77% | 0.771 | S | S | * | * | | | trans | -72.8 | 0 | -171.6 | -153.8 | -89.4 | 0 | 0 | 0 | 112.9 | | |