| 1 | M | 52.1 | Low | 71.2 | Confident | 231 Ų | 231 | 170.5 Ų | 170.5 | 100% | 1.138 | 86% | 0.856 | S | S | * | * | | | | 0 | 94 | 0 | -68.3 | -52.1 | -178.8 | 0 | 0 | 108.1 | | |
| 2 | D | 61.1 | Low | 71.7 | Confident | 164 Ų | 164 | 166.7 Ų | 166.7 | 88% | 0.877 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 137.5 | 177.6 | -65.6 | -61 | 0 | 0 | 0 | 110.9 | | |
| 3 | R | 72.1 | Confident | 71.4 | Confident | 235 Ų | 235 | 167.8 Ų | 167.8 | 89% | 0.887 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 132.4 | -179.4 | -70.6 | -177.1 | 175 | -175.3 | -1 | 109.6 | S5 | R3-S5 PolarHBondContact O-N 2.99Š|
| 4 | P | 68.9 | Low | 71.4 | Confident | 124 Ų | 124 | 162.9 Ų | 162.9 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 130.6 | 177.1 | -25.4 | 34.5 | 0 | 0 | 0 | 112.4 | R6 | P4-R6 PolarHBondContact O-N 3.22Š|
| 5 | S | 71.9 | Confident | 70.8 | Confident | 122 Ų | 122 | 163.7 Ų | 163.7 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 132.3 | 174.4 | -180 | 0 | 0 | 0 | 0 | 110.9 | R3 | R3-S5 PolarHBondContact O-N 2.99Š|
| 6 | R | 76.1 | Confident | 70.3 | Confident | 229 Ų | 229 | 160.4 Ų | 160.4 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | | | trans | -90.9 | 115.4 | 175.1 | -63.2 | -174.8 | -168 | 165.1 | 3 | 109.6 | P4 T8 | P4-R6 PolarHBondContact O-N 3.22Å; R6-T8 PolarHBondContact O-N 2.73Å |
| 7 | K | 74.6 | Confident | 69.7 | Low | 209 Ų | 209 | 161.6 Ų | 161.6 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | | | trans | -49.5 | 107.7 | 169.7 | 50 | -173.3 | 175.3 | -175.7 | 0 | 111.7 | | |
| 8 | T | 74.3 | Confident | 69 | Low | 132 Ų | 132 | 161.3 Ų | 161.3 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 136.3 | 169.3 | 47.5 | 0 | 0 | 0 | 0 | 109.5 | R6 | R6-T8 PolarHBondContact O-N 2.73Š|
| 9 | K | 78.2 | Confident | 68.3 | Low | 194 Ų | 194 | 161.9 Ų | 161.9 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 125 | 168.6 | -74.6 | -85.8 | -172 | 167.4 | 0 | 107.1 | V11 | K9-V11 PolarHBondContact O-N 3.25Š|
| 10 | V | 76.2 | Confident | 67.7 | Low | 145 Ų | 145 | 161.3 Ų | 161.3 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72 | 120.1 | 168.7 | 177.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 11 | V | 77.6 | Confident | 67.3 | Low | 91 Ų | 91 | 161.3 Ų | 161.3 | 55% | 0.552 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 127.5 | 173 | 178.8 | 0 | 0 | 0 | 0 | 107.4 | K9 Y13 | K9-V11 PolarHBondContact O-N 3.25Å; V11-Y13 HydrophobicContact CB-CE2 4.02Å; V11-Y13 HydrophobicContact CG1-CD2 4.42Å; V11-Y13 HydrophobicContact CG1-CE1 4.13Å; V11-Y13 HydrophobicContact CG1-CE2 3.92Å; V11-Y13 WeakPolarHBondContact O-CD2 3.22Å |
| 12 | N | 77.8 | Confident | 67.7 | Low | 124 Ų | 124 | 153.5 Ų | 153.5 | 66% | 0.663 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 128.7 | 177.6 | -168.8 | 2.1 | 0 | 0 | 0 | 109.3 | C14 | N12-C14 PolarHBondContact OD1-N 2.77Å; N12-C14 PolarHBondContact OD1-SG 3.3Å |
| 13 | Y | 67.6 | Low | 67.7 | Low | 181 Ų | 181 | 152.3 Ų | 152.3 | 71% | 0.71 | 78% | 0.783 | S | S | * | * | | | trans | -105.3 | 18.3 | -173.9 | -68 | -85.3 | 0 | 0 | 0 | 113.1 | V11 | V11-Y13 HydrophobicContact CB-CE2 4.02Å; V11-Y13 HydrophobicContact CG1-CD2 4.42Å; V11-Y13 HydrophobicContact CG1-CE1 4.13Å; V11-Y13 HydrophobicContact CG1-CE2 3.92Å; V11-Y13 WeakPolarHBondContact O-CD2 3.22Å |
| 14 | C | 71.2 | Confident | 67.2 | Low | 99 Ų | 99 | 146.8 Ų | 146.8 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 0.1 | -176.3 | -69.7 | 0 | 0 | 0 | 0 | 115.6 | N12 N16 | N12-C14 PolarHBondContact OD1-N 2.77Å; N12-C14 PolarHBondContact OD1-SG 3.3Å; C14-N16 VanDerWaalsContact C-N 3.33Å; C14-N16 PolarHBondContact O-N 3.33Å |
| 15 | E | 62.4 | Low | 66.9 | Low | 175 Ų | 175 | 146.6 Ų | 146.6 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -7.2 | -177.7 | -69.6 | -177.3 | 155.3 | 0 | 0 | 114.3 | K17 | E15-K17 VanDerWaalsContact C-N 3.32Å; E15-K17 PolarHBondContact O-N 3.39Å |
| 16 | N | 62.1 | Low | 66.8 | Low | 111 Ų | 111 | 148.2 Ų | 148.2 | 59% | 0.594 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 30.1 | -173.2 | -64.8 | 96.8 | 0 | 0 | 0 | 115.2 | C14 | C14-N16 VanDerWaalsContact C-N 3.33Å; C14-N16 PolarHBondContact O-N 3.33Å |
| 17 | K | 60.1 | Low | 66.2 | Low | 182 Ų | 182 | 145.6 Ų | 145.6 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -8.9 | 179.7 | -84.5 | -168.1 | 170.5 | -170.7 | 0 | 115.8 | E15 F19 | E15-K17 VanDerWaalsContact C-N 3.32Å; E15-K17 PolarHBondContact O-N 3.39Å; K17-F19 VanDerWaalsContact C-N 3.34Å; K17-F19 PolarHBondContact O-N 2.75Å |
| 18 | D | 58.5 | Low | 65.8 | Low | 155 Ų | 155 | 138.4 Ų | 138.4 | 83% | 0.829 | 73% | 0.734 | S | S | * | * | | | trans | -98.2 | 32.6 | -179.6 | -59.6 | -24 | 0 | 0 | 0 | 112.8 | | |
| 19 | F | 54.2 | Low | 64.8 | Low | 173 Ų | 173 | 136.8 Ų | 136.8 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | | | trans | -111.7 | 34.5 | 172 | -72.3 | -76.7 | 0 | 0 | 0 | 111.7 | K17 | K17-F19 VanDerWaalsContact C-N 3.34Å; K17-F19 PolarHBondContact O-N 2.75Å |
| 20 | D | 57 | Low | 64 | Low | 150 Ų | 150 | 132 Ų | 132 | 80% | 0.802 | 72% | 0.717 | S | S | * | * | | | trans | -93.7 | 136.8 | 174.5 | -149.2 | 6.4 | 0 | 0 | 0 | 110 | | |
| 21 | D | 59 | Low | 63.5 | Low | 161 Ų | 161 | 134.6 Ų | 134.6 | 86% | 0.861 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 59.5 | 73.5 | 162.3 | -147.4 | 47.1 | 0 | 0 | 0 | 118.7 | | |
| 22 | G | 60.4 | Low | 63 | Low | 68 Ų | 68 | 134.1 Ų | 134.1 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 178.8 | -12.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 23 | T | 61.4 | Low | 62.4 | Low | 138 Ų | 138 | 133.7 Ų | 133.7 | 85% | 0.847 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -121.7 | 13.4 | -170.1 | 47.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 24 | D | 62 | Low | 62.3 | Low | 120 Ų | 120 | 131 Ų | 131 | 64% | 0.642 | 73% | 0.731 | S | S | * | * | | | trans | -86.5 | -28.4 | 176 | -179.7 | -78.5 | 0 | 0 | 0 | 113.3 | D26 F27 | D24-D26 PolarHBondContact O-N 2.96Å; D24-F27 PolarHBondContact O-N 3.37Å |
| 25 | E | 62 | Low | 61.9 | Low | 120 Ų | 120 | 131.5 Ų | 131.5 | 56% | 0.561 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -55.3 | -21.4 | -167.9 | -82.4 | -74.9 | 173.8 | 0 | 0 | 116.2 | F27 A28 C29 | E25-F27 PolarHBondContact O-N 3.44Å; E25-A28 PolarHBondContact O-N 3.18Å; E25-A28 VanDerWaalsContact O-N 3.16Å; E25-C29 WeakPolarHBondContact O-CB 3.31Å; E25-C29 PolarHBondContact O-N 2.96Å |
| 26 | D | 70.4 | Confident | 62.4 | Low | 155 Ų | 155 | 133 Ų | 133 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -60.9 | -23.8 | 174.1 | -81.6 | -25.8 | 0 | 0 | 0 | 113 | D24 | D24-D26 PolarHBondContact O-N 2.96Å |
| 27 | F | 62.4 | Low | 62.6 | Low | 174 Ų | 174 | 137.1 Ų | 137.1 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -91.7 | -33.1 | 171.9 | -71.2 | -82.8 | 0 | 0 | 0 | 113 | D24 E25 S30 | D24-F27 PolarHBondContact O-N 3.37Å; E25-F27 PolarHBondContact O-N 3.44Å; F27-S30 PolarHBondContact O-N 3.3Å; F27-S30 PolarHBondContact O-OG 3.22Å |
| 28 | A | 66.4 | Low | 62.6 | Low | 59 Ų | 59 | 133.1 Ų | 133.1 | 49% | 0.488 | 75% | 0.753 | S | S | . | * | H | α-helix | trans | -70.6 | -29.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E25 S30 | E25-A28 PolarHBondContact O-N 3.18Å; E25-A28 VanDerWaalsContact O-N 3.16Å; A28-S30 PolarHBondContact O-N 3.43Å |
| 29 | C | 53.7 | Low | 62 | Low | 98 Ų | 98 | 137.1 Ų | 137.1 | 66% | 0.662 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 8.9 | 176.8 | -79.5 | 0 | 0 | 0 | 0 | 115.2 | E25 K31 | E25-C29 WeakPolarHBondContact O-CB 3.31Å; E25-C29 PolarHBondContact O-N 2.96Å; C29-K31 VanDerWaalsContact C-N 3.34Å; C29-K31 PolarHBondContact O-N 3.38Å |
| 30 | S | 60.8 | Low | 61.6 | Low | 92 Ų | 92 | 136.6 Ų | 136.6 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -67.8 | 88.4 | 169.3 | 53.4 | 0 | 0 | 0 | 0 | 111.2 | F27 A28 A32 | F27-S30 PolarHBondContact O-N 3.3Å; F27-S30 PolarHBondContact O-OG 3.22Å; A28-S30 PolarHBondContact O-N 3.43Å; S30-A32 PolarHBondContact O-N 3.49Å |
| 31 | K | 65.5 | Low | 61.1 | Low | 200 Ų | 200 | 138.7 Ų | 138.7 | 87% | 0.87 | 76% | 0.762 | S | S | * | * | | | trans | -36.6 | 108.3 | 176.1 | -169.4 | 84.9 | 170 | -169.2 | 0 | 110.8 | C29 | C29-K31 VanDerWaalsContact C-N 3.34Å; C29-K31 PolarHBondContact O-N 3.38Å |
| 32 | A | 67.1 | Low | 60.1 | Low | 82 Ų | 82 | 135.9 Ų | 135.9 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 130.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S30 | S30-A32 PolarHBondContact O-N 3.49Š|
| 33 | P | 66.1 | Low | 59.4 | Low | 114 Ų | 114 | 142.6 Ų | 142.6 | 74% | 0.74 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 138.7 | -173.6 | 21.6 | -32.8 | 0 | 0 | 0 | 110 | S35 | P33-S35 PolarHBondContact O-N 3.12Š|
| 34 | P | 65.8 | Low | 58.2 | Low | 124 Ų | 124 | 144.7 Ų | 144.7 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -55 | 119.2 | -167.8 | 20.2 | -32.7 | 0 | 0 | 0 | 110.7 | K36 | P34-K36 PolarHBondContact O-N 3.16Å; P34-K36 VanDerWaalsContact O-N 3.11Å |
| 35 | S | 63.2 | Low | 57 | Low | 110 Ų | 110 | 147.2 Ų | 147.2 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 120.1 | -177.4 | 54.1 | 0 | 0 | 0 | 0 | 109.5 | P33 K37 | P33-S35 PolarHBondContact O-N 3.12Å; S35-K37 PolarHBondContact O-N 2.94Å |
| 36 | K | 71.9 | Confident | 56.1 | Low | 206 Ų | 206 | 150.3 Ų | 150.3 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 116.4 | -178.2 | -71.8 | 176.2 | 179.4 | 170.5 | 0 | 108.7 | P34 A38 | P34-K36 PolarHBondContact O-N 3.16Å; P34-K36 VanDerWaalsContact O-N 3.11Å; K36-A38 PolarHBondContact O-N 2.91Å |
| 37 | K | 67.3 | Low | 54.6 | Low | 198 Ų | 198 | 152.4 Ų | 152.4 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 131.5 | 170.9 | -66.3 | -75.9 | -174.5 | 171.2 | 0 | 108.2 | S35 R39 | S35-K37 PolarHBondContact O-N 2.94Å; K37-R39 PolarHBondContact O-N 3.03Å |
| 38 | A | 58.9 | Low | 53.8 | Low | 99 Ų | 99 | 153.5 Ų | 153.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 134.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | K36 E40 | K36-A38 PolarHBondContact O-N 2.91Å; A38-E40 PolarHBondContact O-N 3.06Å |
| 39 | R | 47 | Very low | 53 | Low | 239 Ų | 239 | 156.4 Ų | 156.4 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | -77.3 | 111.1 | 177.9 | -176 | 178.6 | -176.4 | 178.1 | 0.2 | 108.4 | K37 | K37-R39 PolarHBondContact O-N 3.03Š|
| 40 | E | 44.8 | Very low | 52.5 | Low | 162 Ų | 162 | 157.8 Ų | 157.8 | 76% | 0.757 | 81% | 0.811 | S | S | * | * | | | trans | -68.3 | 128.5 | 169.8 | -170.9 | 174.1 | 163.8 | 0 | 0 | 109.5 | A38 T42 | A38-E40 PolarHBondContact O-N 3.06Å; E40-T42 PolarHBondContact O-N 3.11Å |
| 41 | E | 46.3 | Very low | 51.9 | Low | 193 Ų | 193 | 159.9 Ų | 159.9 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | | | trans | -77.9 | 98.2 | 177.7 | -69.1 | -175.8 | -167.1 | 0 | 0 | 110.2 | | |
| 42 | T | 39.5 | Very low | 50.7 | Low | 102 Ų | 102 | 161.9 Ų | 161.9 | 63% | 0.626 | 82% | 0.821 | S | S | * | * | | | trans | -109.5 | 112.9 | 170.3 | 38.8 | 0 | 0 | 0 | 0 | 110.4 | E40 H44 | E40-T42 PolarHBondContact O-N 3.11Å; T42-H44 PolarHBondContact O-N 3.33Å |
| 43 | K | 44 | Very low | 49.5 | Very low | 209 Ų | 209 | 163.4 Ų | 163.4 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | | | trans | -54.6 | 132.7 | 166 | -74.8 | -178.8 | 174.2 | -179.2 | 0 | 108.9 | | |
| 44 | H | 37.6 | Very low | 48.3 | Very low | 182 Ų | 182 | 163 Ų | 163 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | | | trans | -127.5 | 129 | 163.7 | -107.7 | -79.1 | 0 | 0 | 0 | 111.8 | T42 | T42-H44 PolarHBondContact O-N 3.33Š|
| 45 | E | 37.2 | Very low | 46.9 | Very low | 174 Ų | 174 | 162.4 Ų | 162.4 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | | | trans | -80.8 | 150 | -174.7 | -163.7 | -176.7 | 133 | 0 | 0 | 111.3 | K47 | E45-K47 PolarHBondContact O-N 3.2Š|
| 46 | Q | 41.4 | Very low | 45.9 | Very low | 185 Ų | 185 | 166.2 Ų | 166.2 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | | | trans | -70.5 | 125.6 | -173.9 | -62.6 | -179.5 | -8.1 | 0 | 0 | 113 | | |
| 47 | K | 40.6 | Very low | 44.2 | Very low | 198 Ų | 198 | 166 Ų | 166 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | | | trans | -140 | 146.8 | 152.9 | -69.2 | -163.9 | 177.8 | 178.2 | 0 | 112.2 | E45 | E45-K47 PolarHBondContact O-N 3.2Š|
| 48 | K | 45.3 | Very low | 43 | Very low | 198 Ų | 198 | 161.1 Ų | 161.1 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 149.6 | -166.5 | -55.2 | 175.6 | -179 | -179.9 | 0 | 113.2 | | |
| 49 | P | 50 | Low | 41.9 | Very low | 119 Ų | 119 | 164 Ų | 164 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 147.2 | 168 | 34.9 | -33 | 0 | 0 | 0 | 112.5 | | |
| 50 | P | 43.2 | Very low | 41.9 | Very low | 128 Ų | 128 | 158.2 Ų | 158.2 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 146.5 | 168.1 | 33.8 | -32.5 | 0 | 0 | 0 | 112.3 | | |
| 51 | V | 46.6 | Very low | 41.8 | Very low | 136 Ų | 136 | 157.4 Ų | 157.4 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 139.8 | 179.6 | 175 | 0 | 0 | 0 | 0 | 111.7 | | |
| 52 | R | 40.8 | Very low | 41.4 | Very low | 242 Ų | 242 | 152.3 Ų | 152.3 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | | | trans | -154.3 | 141.5 | 147.4 | -109 | 168.4 | -165.3 | -171.5 | 3.1 | 111.9 | | |
| 53 | S | 42.8 | Very low | 41.4 | Very low | 114 Ų | 114 | 151.5 Ų | 151.5 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | | | trans | -64.8 | 174.9 | -177.2 | -27.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 54 | S | 39.2 | Very low | 41.8 | Very low | 106 Ų | 106 | 151.6 Ų | 151.6 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | | | cis | -162.7 | 160.2 | 15.9 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 55 | S | 38.3 | Very low | 42.3 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | | | trans | 121.9 | 138.9 | 141.5 | -63 | 0 | 0 | 0 | 0 | 116.2 | | |
| 56 | Q | 40.7 | Very low | 42.9 | Very low | 190 Ų | 190 | 146 Ų | 146 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | | | trans | -94.8 | 139 | -158.8 | -59.3 | 158.5 | -87.2 | 0 | 0 | 111.7 | | |
| 57 | E | 35.7 | Very low | 44 | Very low | 201 Ų | 201 | 147 Ų | 147 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | | | | -143.3 | 135.7 | 128.9 | -167.8 | 151.8 | 96.7 | 0 | 0 | 107.9 | | |
| 58 | S | 43.7 | Very low | 45.4 | Very low | 95 Ų | 95 | 142.4 Ų | 142.4 | 66% | 0.664 | 81% | 0.807 | S | S | * | * | | | trans | -115 | 108.2 | -162.3 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 59 | N | 34.5 | Very low | 47.1 | Very low | 161 Ų | 161 | 143.6 Ų | 143.6 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | | | | -164.7 | 127.7 | 116.5 | -102.7 | -40.4 | 0 | 0 | 0 | 111.9 | | |
| 60 | P | 48.4 | Very low | 48.9 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | trans | -111.7 | 121.2 | -176 | 37.1 | -27.4 | 0 | 0 | 0 | 114.1 | | |
| 61 | T | 41.7 | Very low | 51.2 | Low | 145 Ų | 145 | 139 Ų | 139 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | | | trans | -142.3 | 142.2 | 149.9 | 51.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 62 | A | 38.8 | Very low | 53.5 | Low | 87 Ų | 87 | 138.3 Ų | 138.3 | 72% | 0.719 | 76% | 0.76 | S | S | * | * | | | cis | -150.5 | 146.6 | -29.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 63 | A | 39.5 | Very low | 56.1 | Low | 85 Ų | 85 | 132.4 Ų | 132.4 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | | | trans | 56.3 | 130.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | S65 | A63-S65 PolarHBondContact O-N 3.46Š|
| 64 | Q | 52.5 | Low | 58.6 | Low | 211 Ų | 211 | 130.8 Ų | 130.8 | 99% | 0.986 | 73% | 0.726 | S | S | * | * | | | trans | -69.8 | 69.6 | 147.1 | -63.9 | 179.5 | -57 | 0 | 0 | 108.5 | | |
| 65 | S | 47.9 | Very low | 61.3 | Low | 89 Ų | 89 | 129.8 Ų | 129.8 | 62% | 0.622 | 71% | 0.708 | S | S | * | * | | | trans | -77.9 | 156.8 | 172.7 | 52.7 | 0 | 0 | 0 | 0 | 110.3 | A63 | A63-S65 PolarHBondContact O-N 3.46Š|
| 66 | D | 48.5 | Very low | 64.1 | Low | 148 Ų | 148 | 127.8 Ų | 127.8 | 79% | 0.791 | 69% | 0.689 | S | S | * | * | | | trans | -53.7 | 146.3 | -179.8 | -68.4 | -77.8 | 0 | 0 | 0 | 111.9 | S68 | D66-S68 PolarHBondContact O-N 2.97Š|
| 67 | K | 64.8 | Low | 66.8 | Low | 208 Ų | 208 | 126.5 Ų | 126.5 | 90% | 0.904 | 68% | 0.677 | S | S | * | * | | | trans | -73.5 | 60.6 | 177.4 | -65.3 | 151.9 | -175.4 | 166.4 | 0 | 110.1 | R69 | K67-R69 PolarHBondContact O-N 3.16Š|
| 68 | S | 70.5 | Confident | 69.7 | Low | 101 Ų | 101 | 120.6 Ų | 120.6 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | | | trans | -55.3 | 129.7 | 165 | 58.3 | 0 | 0 | 0 | 0 | 107 | D66 K70 | D66-S68 PolarHBondContact O-N 2.97Å; S68-K70 PolarHBondContact O-N 3.47Å |
| 69 | R | 80.8 | Confident | 72.2 | Confident | 223 Ų | 223 | 121.5 Ų | 121.5 | 84% | 0.842 | 64% | 0.638 | S | S | * | * | | | trans | -73.6 | 113.3 | 173.8 | -68.5 | 178.5 | 178.8 | 130.7 | -0.5 | 105.6 | K67 | K67-R69 PolarHBondContact O-N 3.16Š|
| 70 | K | 87.1 | Confident | 75.3 | Confident | 72 Ų | 72 | 118.2 Ų | 118.2 | 31% | 0.313 | 62% | 0.621 | S | S | . | * | | | trans | -41.2 | 133.7 | 164.1 | -67.9 | -177.2 | 167.8 | -149.6 | 0 | 109.1 | S68 E74 K75 E78 | S68-K70 PolarHBondContact O-N 3.47Å; K70-E74 HydrophobicContact CB-CB 4.42Å; K70-E74 WeakPolarHBondContact CB-OE2 3.43Å; K70-E74 VanDerWaalsContact CD-CD 3.5Å; K70-E74 HydrophobicContact CD-CG 4.23Å; K70-E74 WeakPolarHBondContact CD-OE1 3.47Å; K70-E74 WeakPolarHBondContact CE-OE1 3.43Å; K70-E74 WeakPolarHBondContact CG-OE2 3.39Å; K70-E74 IonicContact NZ-OE1 2.82Å; K70-E74 PolarHBondContact NZ-OE1 2.61Å; K70-K75 HydrophobicContact CB-CG 4.13Å; K70-K75 WeakPolarHBondContact O-CE 3.21Å; K70-K75 PolarHBondContact O-NZ 2.85Å; K70-E78 IonicContact NZ-OE1 2.76Å; K70-E78 PolarHBondContact NZ-OE1 2.76Å; K70-E78 IonicContact NZ-OE2 2.81Å; K70-E78 PolarHBondContact NZ-OE2 2.86Å |
| 71 | P | 92.8 | Very high | 77.6 | Confident | 79 Ų | 79 | 116.5 Ų | 116.5 | 51% | 0.513 | 60% | 0.604 | S | S | . | * | | | trans | -55.9 | 161.9 | 177.2 | 24.7 | -34 | 0 | 0 | 0 | 110.7 | D73 E74 K75 | P71-D73 VanDerWaalsContact C-N 3.26Å; P71-D73 PolarHBondContact O-N 3.04Å; P71-E74 WeakPolarHBondContact CD-OE2 3.46Å; P71-E74 HydrophobicContact CG-CB 4Å; P71-E74 PolarHBondContact O-N 3.02Å; P71-K75 PolarHBondContact O-N 3.47Å |
| 72 | L | 94.8 | Very high | 80.2 | Confident | 121 Ų | 121 | 115.3 Ų | 115.3 | 63% | 0.634 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.1 | -40.9 | -174.9 | -177.6 | 59.4 | 0 | 0 | 0 | 111.3 | E74 K75 L76 | L72-E74 PolarHBondContact O-N 3.4Å; L72-K75 CarbonylContact O-C 3.55Å; L72-K75 WeakPolarHBondContact O-CB 3.46Å; L72-K75 PolarHBondContact O-N 3.27Å; L72-K75 VanDerWaalsContact O-N 3.11Å; L72-L76 HydrophobicContact CG-CD1 4.4Å; L72-L76 HydrophobicContact CG-CG 4.44Å; L72-L76 WeakPolarHBondContact O-CG 2.98Å; L72-L76 PolarHBondContact O-N 2.96Å |
| 73 | D | 95.4 | Very high | 83 | Confident | 117 Ų | 117 | 113.4 Ų | 113.4 | 63% | 0.626 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.4 | -38.7 | -175.3 | -50.4 | -37.9 | 0 | 0 | 0 | 112.4 | P71 K75 L76 Y77 | P71-D73 VanDerWaalsContact C-N 3.26Å; P71-D73 PolarHBondContact O-N 3.04Å; D73-K75 VanDerWaalsContact C-N 3.28Å; D73-K75 PolarHBondContact O-N 3.17Å; D73-L76 WeakPolarHBondContact O-CB 3.47Å; D73-L76 PolarHBondContact O-N 3.35Å; D73-L76 VanDerWaalsContact O-N 3.11Å; D73-Y77 WeakPolarHBondContact O-CB 3.47Å; D73-Y77 PolarHBondContact O-N 2.72Å |
| 74 | E | 95.5 | Very high | 85.8 | Confident | 80 Ų | 80 | 112 Ų | 112 | 37% | 0.374 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.3 | -37.1 | 173.7 | -167.2 | -169.2 | 158.3 | 0 | 0 | 111.3 | K70 P71 L72 Y77 E78 | K70-E74 HydrophobicContact CB-CB 4.42Å; K70-E74 WeakPolarHBondContact CB-OE2 3.43Å; K70-E74 VanDerWaalsContact CD-CD 3.5Å; K70-E74 HydrophobicContact CD-CG 4.23Å; K70-E74 WeakPolarHBondContact CD-OE1 3.47Å; K70-E74 WeakPolarHBondContact CE-OE1 3.43Å; K70-E74 WeakPolarHBondContact CG-OE2 3.39Å; K70-E74 IonicContact NZ-OE1 2.82Å; K70-E74 PolarHBondContact NZ-OE1 2.61Å; P71-E74 WeakPolarHBondContact CD-OE2 3.46Å; P71-E74 HydrophobicContact CG-CB 4Å; P71-E74 PolarHBondContact O-N 3.02Å; L72-E74 PolarHBondContact O-N 3.4Å; E74-Y77 PolarHBondContact O-N 3Å; E74-E78 VanDerWaalsContact O-CB 3.23Å; E74-E78 WeakPolarHBondContact O-CB 3.41Å; E74-E78 PolarHBondContact O-N 2.93Å |
| 75 | K | 95.4 | Very high | 87.9 | Confident | 85 Ų | 85 | 106.5 Ų | 106.5 | 37% | 0.37 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -75.8 | -22.2 | 174.8 | -65.1 | 173.3 | 178.7 | 154.1 | 0 | 113.9 | K70 P71 L72 D73 R79 | K70-K75 HydrophobicContact CB-CG 4.13Å; K70-K75 WeakPolarHBondContact O-CE 3.21Å; K70-K75 PolarHBondContact O-NZ 2.85Å; P71-K75 PolarHBondContact O-N 3.47Å; L72-K75 CarbonylContact O-C 3.55Å; L72-K75 WeakPolarHBondContact O-CB 3.46Å; L72-K75 PolarHBondContact O-N 3.27Å; L72-K75 VanDerWaalsContact O-N 3.11Å; D73-K75 VanDerWaalsContact C-N 3.28Å; D73-K75 PolarHBondContact O-N 3.17Å; K75-R79 PolarHBondContact O-NH2 2.87Å |
| 76 | L | 96.7 | Very high | 90.2 | Very high | 70 Ų | 70 | 105.9 Ų | 105.9 | 37% | 0.366 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.4 | -53.2 | 169.3 | -67.6 | 173.8 | 0 | 0 | 0 | 108.4 | L72 D73 E78 R79 D80 | L72-L76 HydrophobicContact CG-CD1 4.4Å; L72-L76 HydrophobicContact CG-CG 4.44Å; L72-L76 WeakPolarHBondContact O-CG 2.98Å; L72-L76 PolarHBondContact O-N 2.96Å; D73-L76 WeakPolarHBondContact O-CB 3.47Å; D73-L76 PolarHBondContact O-N 3.35Å; D73-L76 VanDerWaalsContact O-N 3.11Å; L76-E78 PolarHBondContact O-N 3.46Å; L76-R79 PolarHBondContact O-N 3.21Å; L76-D80 WeakPolarHBondContact O-CB 3.42Å; L76-D80 PolarHBondContact O-N 3.45Å |
| 77 | Y | 97.1 | Very high | 92.5 | Very high | 163 Ų | 163 | 104.5 Ų | 104.5 | 64% | 0.639 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -55.7 | -48 | 177.9 | -179.6 | -101.4 | 0 | 0 | 0 | 113.4 | D73 E74 R79 D80 L81 | D73-Y77 WeakPolarHBondContact O-CB 3.47Å; D73-Y77 PolarHBondContact O-N 2.72Å; E74-Y77 PolarHBondContact O-N 3Å; Y77-R79 PolarHBondContact O-N 3.2Å; Y77-D80 PolarHBondContact O-N 3.41Å; Y77-L81 HydrophobicContact CE1-CD2 4.27Å; Y77-L81 VanDerWaalsContact O-CB 3.22Å; Y77-L81 WeakPolarHBondContact O-CB 3.17Å; Y77-L81 PolarHBondContact O-N 2.88Å |
| 78 | E | 97.1 | Very high | 93.8 | Very high | 76 Ų | 76 | 97.8 Ų | 97.8 | 36% | 0.355 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | -179.6 | -171.7 | 164 | -136.5 | 0 | 0 | 111.9 | K70 E74 L76 E82 | K70-E78 IonicContact NZ-OE1 2.76Å; K70-E78 PolarHBondContact NZ-OE1 2.76Å; K70-E78 IonicContact NZ-OE2 2.81Å; K70-E78 PolarHBondContact NZ-OE2 2.86Å; E74-E78 VanDerWaalsContact O-CB 3.23Å; E74-E78 WeakPolarHBondContact O-CB 3.41Å; E74-E78 PolarHBondContact O-N 2.93Å; L76-E78 PolarHBondContact O-N 3.46Å; E78-E82 WeakPolarHBondContact O-CG 3.4Å; E78-E82 PolarHBondContact O-N 3.33Å |
| 79 | R | 97.5 | Very high | 94.9 | Very high | 114 Ų | 114 | 98.4 Ų | 98.4 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.4 | -43.2 | 175.8 | -172 | -151.1 | -47.7 | 93.2 | 18.8 | 112.4 | K75 L76 Y77 L81 E82 A83 | K75-R79 PolarHBondContact O-NH2 2.87Å; L76-R79 PolarHBondContact O-N 3.21Å; Y77-R79 PolarHBondContact O-N 3.2Å; R79-L81 VanDerWaalsContact C-N 3.28Å; R79-L81 PolarHBondContact O-N 3.11Å; R79-E82 PolarHBondContact O-N 2.92Å; R79-A83 WeakPolarHBondContact O-CB 3.23Å; R79-A83 PolarHBondContact O-N 3.48Å |
| 80 | D | 97.8 | Very high | 95.3 | Very high | 93 Ų | 93 | 92 Ų | 92 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -72.1 | -30.7 | -174.4 | -64.3 | 3.6 | 0 | 0 | 0 | 110 | L76 Y77 A84 | L76-D80 WeakPolarHBondContact O-CB 3.42Å; L76-D80 PolarHBondContact O-N 3.45Å; Y77-D80 PolarHBondContact O-N 3.41Å; D80-A84 WeakPolarHBondContact O-CB 3.49Å; D80-A84 PolarHBondContact O-N 3.01Å |
| 81 | L | 97.9 | Very high | 95 | Very high | 79 Ų | 79 | 94.2 Ų | 94.2 | 41% | 0.414 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.5 | -49.5 | 167.3 | 178.9 | 62 | 0 | 0 | 0 | 112.1 | Y77 R79 A83 A84 I85 | Y77-L81 HydrophobicContact CE1-CD2 4.27Å; Y77-L81 VanDerWaalsContact O-CB 3.22Å; Y77-L81 WeakPolarHBondContact O-CB 3.17Å; Y77-L81 PolarHBondContact O-N 2.88Å; R79-L81 VanDerWaalsContact C-N 3.28Å; R79-L81 PolarHBondContact O-N 3.11Å; L81-A83 VanDerWaalsContact C-N 3.29Å; L81-A83 PolarHBondContact O-N 3.37Å; L81-A84 PolarHBondContact O-N 3.38Å; L81-I85 HydrophobicContact CD1-CD1 4.09Å; L81-I85 HydrophobicContact CD1-CG1 4.44Å; L81-I85 HydrophobicContact CG-CD1 4.07Å; L81-I85 WeakPolarHBondContact O-CG1 3.47Å; L81-I85 PolarHBondContact O-N 3.42Å |
| 82 | E | 96.9 | Very high | 94 | Very high | 121 Ų | 121 | 96.4 Ų | 96.4 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.6 | -41.3 | 174.5 | -75.9 | 174.3 | -173.1 | 0 | 0 | 112 | E78 R79 T86 | E78-E82 WeakPolarHBondContact O-CG 3.4Å; E78-E82 PolarHBondContact O-N 3.33Å; R79-E82 PolarHBondContact O-N 2.92Å; E82-T86 WeakPolarHBondContact O-CB 3.35Å; E82-T86 PolarHBondContact O-N 3.47Å; E82-T86 PolarHBondContact O-OG1 3.39Å |
| 83 | A | 97.4 | Very high | 92.5 | Very high | 47 Ų | 47 | 93.4 Ų | 93.4 | 39% | 0.388 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R79 L81 T86 L87 | R79-A83 WeakPolarHBondContact O-CB 3.23Å; R79-A83 PolarHBondContact O-N 3.48Å; L81-A83 VanDerWaalsContact C-N 3.29Å; L81-A83 PolarHBondContact O-N 3.37Å; A83-T86 PolarHBondContact O-N 3.11Å; A83-L87 WeakPolarHBondContact O-CB 3.35Å; A83-L87 WeakPolarHBondContact O-CG 3.36Å; A83-L87 PolarHBondContact O-N 2.79Å |
| 84 | A | 97.4 | Very high | 90.6 | Very high | 56 Ų | 56 | 93.2 Ų | 93.2 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D80 L81 L87 S88 | D80-A84 WeakPolarHBondContact O-CB 3.49Å; D80-A84 PolarHBondContact O-N 3.01Å; L81-A84 PolarHBondContact O-N 3.38Å; A84-L87 PolarHBondContact O-N 3.1Å; A84-S88 WeakPolarHBondContact O-CB 3.33Å; A84-S88 PolarHBondContact O-N 3.05Å |
| 85 | I | 97.1 | Very high | 88.7 | Confident | 94 Ų | 94 | 92.9 Ų | 92.9 | 48% | 0.482 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 174.1 | -68 | 165.2 | 0 | 0 | 0 | 110.2 | L81 S88 L89 | L81-I85 HydrophobicContact CD1-CD1 4.09Å; L81-I85 HydrophobicContact CD1-CG1 4.44Å; L81-I85 HydrophobicContact CG-CD1 4.07Å; L81-I85 WeakPolarHBondContact O-CG1 3.47Å; L81-I85 PolarHBondContact O-N 3.42Å; I85-S88 WeakPolarHBondContact O-CB 3.4Å; I85-S88 PolarHBondContact O-N 2.99Å; I85-L89 HydrophobicContact CG2-CD1 4.26Å; I85-L89 WeakPolarHBondContact O-CG 3.27Å; I85-L89 PolarHBondContact O-N 2.82Å |
| 86 | T | 96.1 | Very high | 86.6 | Confident | 76 Ų | 76 | 96.1 Ų | 96.1 | 47% | 0.466 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 179.1 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | E82 A83 L89 L90 | E82-T86 WeakPolarHBondContact O-CB 3.35Å; E82-T86 PolarHBondContact O-N 3.47Å; E82-T86 PolarHBondContact O-OG1 3.39Å; A83-T86 PolarHBondContact O-N 3.11Å; T86-L89 PolarHBondContact O-N 2.87Å; T86-L90 HydrophobicContact CG2-CD1 4.33Å; T86-L90 WeakPolarHBondContact O-CD1 3.22Å; T86-L90 PolarHBondContact O-N 3.11Å |
| 87 | L | 95.9 | Very high | 84.2 | Confident | 119 Ų | 119 | 98.9 Ų | 98.9 | 62% | 0.623 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.9 | -36.9 | 176.5 | -73.1 | 173.6 | 0 | 0 | 0 | 112.4 | A83 A84 L90 N91 | A83-L87 WeakPolarHBondContact O-CB 3.35Å; A83-L87 WeakPolarHBondContact O-CG 3.36Å; A83-L87 PolarHBondContact O-N 2.79Å; A84-L87 PolarHBondContact O-N 3.1Å; L87-L90 PolarHBondContact O-N 2.98Å; L87-N91 VanDerWaalsContact O-CB 3.25Å; L87-N91 WeakPolarHBondContact O-CB 3.45Å; L87-N91 PolarHBondContact O-N 2.76Å |
| 88 | S | 93.6 | Very high | 81.7 | Confident | 67 Ų | 67 | 99.2 Ų | 99.2 | 47% | 0.469 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.3 | -45.8 | 173.6 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | A84 I85 L90 N91 N92 | A84-S88 WeakPolarHBondContact O-CB 3.33Å; A84-S88 PolarHBondContact O-N 3.05Å; I85-S88 WeakPolarHBondContact O-CB 3.4Å; I85-S88 PolarHBondContact O-N 2.99Å; S88-L90 PolarHBondContact O-N 3.32Å; S88-N91 PolarHBondContact O-N 3.42Å; S88-N92 VanDerWaalsContact O-CG 3.27Å; S88-N92 PolarHBondContact O-N 2.87Å; S88-N92 PolarHBondContact O-ND2 2.81Å |
| 89 | L | 93.2 | Very high | 78.9 | Confident | 114 Ų | 114 | 100.3 Ų | 100.3 | 60% | 0.597 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.4 | -42.9 | 175.5 | -69.6 | 168.7 | 0 | 0 | 0 | 112.4 | I85 T86 | I85-L89 HydrophobicContact CG2-CD1 4.26Å; I85-L89 WeakPolarHBondContact O-CG 3.27Å; I85-L89 PolarHBondContact O-N 2.82Å; T86-L89 PolarHBondContact O-N 2.87Å |
| 90 | L | 87.8 | Confident | 76.4 | Confident | 88 Ų | 88 | 100.9 Ų | 100.9 | 46% | 0.461 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.1 | -44.4 | 178.3 | -95.7 | 62.7 | 0 | 0 | 0 | 112.5 | T86 L87 S88 N92 S93 D94 | T86-L90 HydrophobicContact CG2-CD1 4.33Å; T86-L90 WeakPolarHBondContact O-CD1 3.22Å; T86-L90 PolarHBondContact O-N 3.11Å; L87-L90 PolarHBondContact O-N 2.98Å; S88-L90 PolarHBondContact O-N 3.32Å; L90-N92 PolarHBondContact O-N 3.03Å; L90-S93 CarbonylContact O-C 3.6Å; L90-S93 WeakPolarHBondContact O-CA 3.49Å; L90-S93 WeakPolarHBondContact O-CB 3.36Å; L90-S93 PolarHBondContact O-N 3.49Å; L90-S93 PolarHBondContact O-OG 2.95Å; L90-D94 PolarHBondContact O-N 3.32Å |
| 91 | N | 81.9 | Confident | 73.6 | Confident | 120 Ų | 120 | 102.5 Ų | 102.5 | 64% | 0.642 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60.8 | -33 | 179.9 | -175.1 | 82.1 | 0 | 0 | 0 | 112.5 | L87 S88 S93 | L87-N91 VanDerWaalsContact O-CB 3.25Å; L87-N91 WeakPolarHBondContact O-CB 3.45Å; L87-N91 PolarHBondContact O-N 2.76Å; S88-N91 PolarHBondContact O-N 3.42Å; N91-S93 PolarHBondContact O-N 2.76Å |
| 92 | N | 71.5 | Confident | 70.9 | Confident | 124 Ų | 124 | 103.8 Ų | 103.8 | 66% | 0.663 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.8 | -14 | 173.1 | -66.1 | -32.7 | 0 | 0 | 0 | 113.5 | S88 L90 | S88-N92 VanDerWaalsContact O-CG 3.27Å; S88-N92 PolarHBondContact O-N 2.87Å; S88-N92 PolarHBondContact O-ND2 2.81Å; L90-N92 PolarHBondContact O-N 3.03Å |
| 93 | S | 63 | Low | 68.5 | Low | 58 Ų | 58 | 108.3 Ų | 108.3 | 41% | 0.406 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -101.2 | -30.6 | 178.2 | 72.6 | 0 | 0 | 0 | 0 | 114 | L90 N91 G95 L96 N97 | L90-S93 CarbonylContact O-C 3.6Å; L90-S93 WeakPolarHBondContact O-CA 3.49Å; L90-S93 WeakPolarHBondContact O-CB 3.36Å; L90-S93 PolarHBondContact O-N 3.49Å; L90-S93 PolarHBondContact O-OG 2.95Å; N91-S93 PolarHBondContact O-N 2.76Å; S93-G95 VanDerWaalsContact C-N 3.27Å; S93-G95 PolarHBondContact O-N 3.39Å; S93-L96 PolarHBondContact O-N 3.39Å; S93-N97 PolarHBondContact O-ND2 3.06Å |
| 94 | D | 55.6 | Low | 65.7 | Low | 113 Ų | 113 | 110.4 Ų | 110.4 | 60% | 0.604 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -74.4 | -14.8 | -178.4 | -75.9 | -40.1 | 0 | 0 | 0 | 113.6 | L90 L96 | L90-D94 PolarHBondContact O-N 3.32Å; D94-L96 PolarHBondContact O-N 2.8Å |
| 95 | G | 55.4 | Low | 62.8 | Low | 74 Ų | 74 | 115.5 Ų | 115.5 | 76% | 0.763 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -4 | 174 | 0 | 0 | 0 | 0 | 0 | 115.9 | S93 | S93-G95 VanDerWaalsContact C-N 3.27Å; S93-G95 PolarHBondContact O-N 3.39Å |
| 96 | L | 51.9 | Low | 60.6 | Low | 152 Ų | 152 | 116.9 Ų | 116.9 | 80% | 0.796 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.7 | 38.9 | -172.5 | -161.7 | 77.7 | 0 | 0 | 0 | 113.5 | S93 D94 | S93-L96 PolarHBondContact O-N 3.39Å; D94-L96 PolarHBondContact O-N 2.8Å |
| 97 | N | 46.2 | Very low | 57.9 | Low | 129 Ų | 129 | 122 Ų | 122 | 69% | 0.69 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -123.7 | 18.3 | -179.2 | -72.9 | -66.8 | 0 | 0 | 0 | 115.6 | S93 | S93-N97 PolarHBondContact O-ND2 3.06Š|
| 98 | D | 43.8 | Very low | 55.6 | Low | 170 Ų | 170 | 122.5 Ų | 122.5 | 91% | 0.909 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -133.2 | 52.3 | 169.7 | -152.9 | 13.4 | 0 | 0 | 0 | 112.8 | | |
| 99 | S | 38.9 | Very low | 53 | Low | 99 Ų | 99 | 127.5 Ų | 127.5 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | | | trans | -164.2 | 120.5 | 163.5 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | T101 | S99-T101 PolarHBondContact O-N 3.32Š|
| 100 | P | 44.2 | Very low | 50.7 | Low | 125 Ų | 125 | 125.9 Ų | 125.9 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | | | trans | -86.3 | 101.2 | 167.2 | 33 | -28.2 | 0 | 0 | 0 | 109.6 | | |
| 101 | T | 40 | Very low | 48.8 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | | | trans | 169.2 | 107.7 | 139.1 | -71.7 | 0 | 0 | 0 | 0 | 110.8 | S99 | S99-T101 PolarHBondContact O-N 3.32Š|
| 102 | S | 40 | Very low | 46.9 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | | | | 173 | 143.8 | 119.4 | 46.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 103 | K | 46.8 | Very low | 45.4 | Very low | 216 Ų | 216 | 127.8 Ų | 127.8 | 94% | 0.939 | 75% | 0.746 | S | S | * | * | | | trans | -85.4 | 118.1 | 168.9 | -65.8 | -173 | 177.9 | -174.1 | 0 | 107.8 | | |
| 104 | A | 40.2 | Very low | 45.2 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | -134.7 | 137.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 105 | D | 36.8 | Very low | 45.2 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | | | trans | -71.3 | 148.4 | -169.6 | -144.1 | -63.6 | 0 | 0 | 0 | 112.1 | K107 | D105-K107 PolarHBondContact O-N 2.88Š|
| 106 | V | 49.3 | Very low | 45.3 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 75% | 0.745 | 77% | 0.769 | S | S | * | * | | | trans | -80.5 | 105.6 | -179.4 | 175 | 0 | 0 | 0 | 0 | 108.8 | V108 | V106-V108 HydrophobicContact CG1-CG2 4.16Š|
| 107 | K | 40.2 | Very low | 45.5 | Very low | 185 Ų | 185 | 134.3 Ų | 134.3 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | -123.5 | 92.7 | 158.8 | -159 | 169.5 | -173.5 | -177.4 | 0 | 110.8 | D105 Q109 | D105-K107 PolarHBondContact O-N 2.88Å; K107-Q109 PolarHBondContact O-N 3.49Å |
| 108 | V | 47.5 | Very low | 46.1 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | trans | -53 | 107.4 | 164.8 | 176.5 | 0 | 0 | 0 | 0 | 107.8 | V106 | V106-V108 HydrophobicContact CG1-CG2 4.16Š|
| 109 | Q | 39 | Very low | 46.8 | Very low | 173 Ų | 173 | 127.8 Ų | 127.8 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | | | trans | -85.2 | 112 | 166.9 | -67.4 | -163.9 | 20.6 | 0 | 0 | 108 | K107 | K107-Q109 PolarHBondContact O-N 3.49Š|
| 110 | S | 44.7 | Very low | 47.7 | Very low | 79 Ų | 79 | 126.2 Ų | 126.2 | 55% | 0.552 | 73% | 0.725 | S | S | * | * | | | trans | -50.9 | 145 | 158.7 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | V112 | S110-V112 VanDerWaalsContact C-N 3.32Å; S110-V112 PolarHBondContact O-N 2.92Å |
| 111 | P | 47.3 | Very low | 48.3 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 84% | 0.844 | 72% | 0.716 | S | S | * | * | | | trans | -66.1 | 97.2 | 167.9 | 28.9 | -32.9 | 0 | 0 | 0 | 108.1 | | |
| 112 | V | 43.1 | Very low | 49.2 | Very low | 110 Ų | 110 | 125.1 Ų | 125.1 | 67% | 0.667 | 71% | 0.706 | S | S | * | * | | | trans | -128.3 | 118 | 179.2 | 160.9 | 0 | 0 | 0 | 0 | 108.2 | S110 | S110-V112 VanDerWaalsContact C-N 3.32Å; S110-V112 PolarHBondContact O-N 2.92Å |
| 113 | D | 38.7 | Very low | 49.9 | Very low | 133 Ų | 133 | 128.1 Ų | 128.1 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | | | trans | 85.2 | 138.9 | 152.4 | -148 | 15.3 | 0 | 0 | 0 | 120 | N115 | D113-N115 PolarHBondContact O-N 3.3Š|
| 114 | E | 59.1 | Low | 50.5 | Low | 186 Ų | 186 | 121.4 Ų | 121.4 | 87% | 0.869 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -81.9 | 49.4 | -174.2 | -164.3 | 174.2 | 114.5 | 0 | 0 | 110.3 | | |
| 115 | N | 56.4 | Low | 51.7 | Low | 143 Ų | 143 | 125.7 Ų | 125.7 | 77% | 0.765 | 70% | 0.704 | S | S | * | * | | | trans | -153.8 | 29.6 | -176.9 | -133.5 | -106.1 | 0 | 0 | 0 | 116.1 | D113 | D113-N115 PolarHBondContact O-N 3.3Š|
| 116 | T | 57.1 | Low | 52.8 | Low | 100 Ų | 100 | 123.5 Ų | 123.5 | 61% | 0.613 | 70% | 0.7 | S | S | * | * | | | trans | -83.8 | 121.5 | 172.5 | -60.7 | 0 | 0 | 0 | 0 | 110.6 | S120 | T116-S120 VanDerWaalsContact CG2-OG 3.3Å; T116-S120 WeakPolarHBondContact CG2-OG 3.25Å |
| 117 | D | 56 | Low | 53.4 | Low | 105 Ų | 105 | 120.5 Ų | 120.5 | 56% | 0.561 | 68% | 0.684 | S | S | * | * | | | trans | -51.8 | 121 | 175.4 | 176.1 | -1.6 | 0 | 0 | 0 | 110.9 | A119 S120 | D117-A119 PolarHBondContact O-N 3.45Å; D117-A119 VanDerWaalsContact O-N 3.09Å; D117-A119 VanDerWaalsContact OD1-CB 3.3Å; D117-A119 WeakPolarHBondContact OD1-CB 3.46Å; D117-A119 PolarHBondContact OD1-N 3.3Å; D117-S120 WeakPolarHBondContact O-CB 3.44Å; D117-S120 PolarHBondContact O-N 3.04Å; D117-S120 PolarHBondContact O-OG 3.18Å |
| 118 | P | 59.1 | Low | 54.5 | Low | 105 Ų | 105 | 116.5 Ų | 116.5 | 68% | 0.682 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -61.7 | -19.6 | -177.1 | 25.9 | -35.5 | 0 | 0 | 0 | 113.4 | S120 L121 | P118-S120 PolarHBondContact O-N 2.86Å; P118-L121 PolarHBondContact O-N 2.9Å |
| 119 | A | 58.6 | Low | 55.5 | Low | 56 Ų | 56 | 114.5 Ų | 114.5 | 46% | 0.463 | 66% | 0.66 | S | S | . | * | G | 310 helix | trans | -63.6 | -24.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D117 L121 L122 | D117-A119 PolarHBondContact O-N 3.45Å; D117-A119 VanDerWaalsContact O-N 3.09Å; D117-A119 VanDerWaalsContact OD1-CB 3.3Å; D117-A119 WeakPolarHBondContact OD1-CB 3.46Å; D117-A119 PolarHBondContact OD1-N 3.3Å; A119-L121 VanDerWaalsContact C-N 3.29Å; A119-L121 PolarHBondContact O-N 3.11Å; A119-L122 WeakPolarHBondContact O-CB 3.4Å; A119-L122 WeakPolarHBondContact O-CD1 3.5Å; A119-L122 WeakPolarHBondContact O-CG 3.4Å; A119-L122 PolarHBondContact O-N 3.49Å |
| 120 | S | 57.4 | Low | 56.7 | Low | 66 Ų | 66 | 107.8 Ų | 107.8 | 46% | 0.462 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -73.2 | -16.8 | -179.5 | 67.5 | 0 | 0 | 0 | 0 | 114.3 | T116 D117 P118 L122 | T116-S120 VanDerWaalsContact CG2-OG 3.3Å; T116-S120 WeakPolarHBondContact CG2-OG 3.25Å; D117-S120 WeakPolarHBondContact O-CB 3.44Å; D117-S120 PolarHBondContact O-N 3.04Å; D117-S120 PolarHBondContact O-OG 3.18Å; P118-S120 PolarHBondContact O-N 2.86Å; S120-L122 VanDerWaalsContact C-N 3.3Å; S120-L122 PolarHBondContact O-N 3.06Å |
| 121 | L | 56.8 | Low | 57.7 | Low | 119 Ų | 119 | 108.1 Ų | 108.1 | 62% | 0.623 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -82.8 | -2.3 | 178.7 | -64.3 | 174.3 | 0 | 0 | 0 | 113.8 | P118 A119 L123 | P118-L121 PolarHBondContact O-N 2.9Å; A119-L121 VanDerWaalsContact C-N 3.29Å; A119-L121 PolarHBondContact O-N 3.11Å; L121-L123 PolarHBondContact O-N 3.35Å |
| 122 | L | 58.2 | Low | 58.6 | Low | 112 Ų | 112 | 107.4 Ų | 107.4 | 59% | 0.586 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -76 | 3.1 | -174.6 | -69.3 | 170.6 | 0 | 0 | 0 | 115.1 | A119 S120 | A119-L122 WeakPolarHBondContact O-CB 3.4Å; A119-L122 WeakPolarHBondContact O-CD1 3.5Å; A119-L122 WeakPolarHBondContact O-CG 3.4Å; A119-L122 PolarHBondContact O-N 3.49Å; S120-L122 VanDerWaalsContact C-N 3.3Å; S120-L122 PolarHBondContact O-N 3.06Å |
| 123 | L | 56.5 | Low | 59.7 | Low | 169 Ų | 169 | 107.2 Ų | 107.2 | 89% | 0.885 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -95.4 | 1.9 | -175.9 | -68.7 | 168.5 | 0 | 0 | 0 | 114.6 | L121 | L121-L123 PolarHBondContact O-N 3.35Š|
| 124 | S | 57.8 | Low | 60.8 | Low | 75 Ų | 75 | 102.6 Ų | 102.6 | 52% | 0.524 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -109.8 | 130.2 | 177 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | C126 S127 | S124-C126 PolarHBondContact O-N 2.75Å; S124-S127 WeakPolarHBondContact O-CB 3.4Å; S124-S127 PolarHBondContact O-N 2.93Å |
| 125 | N | 66.6 | Low | 61.1 | Low | 181 Ų | 181 | 99 Ų | 99 | 97% | 0.968 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 5.2 | -178.5 | -76.7 | -43.7 | 0 | 0 | 0 | 115.2 | | |
| 126 | C | 59.1 | Low | 61.5 | Low | 116 Ų | 116 | 99.7 Ų | 99.7 | 78% | 0.784 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 1.3 | 172 | -61.6 | 0 | 0 | 0 | 0 | 113.2 | S124 V128 | S124-C126 PolarHBondContact O-N 2.75Å; C126-V128 PolarHBondContact O-N 3.37Å |
| 127 | S | 63.2 | Low | 61.7 | Low | 59 Ų | 59 | 102 Ų | 102 | 41% | 0.413 | 61% | 0.61 | S | S | . | * | | | trans | -76.6 | 105.5 | 179.2 | -169.9 | 0 | 0 | 0 | 0 | 111 | S124 | S124-S127 WeakPolarHBondContact O-CB 3.4Å; S124-S127 PolarHBondContact O-N 2.93Å |
| 128 | V | 62.2 | Low | 62 | Low | 102 Ų | 102 | 104.1 Ų | 104.1 | 62% | 0.618 | 62% | 0.619 | S | S | * | * | | | trans | -81.8 | 120.7 | 170.3 | 166.7 | 0 | 0 | 0 | 0 | 108.7 | C126 G130 L133 | C126-V128 PolarHBondContact O-N 3.37Å; V128-G130 PolarHBondContact O-N 3.28Å; V128-L133 HydrophobicContact CG1-CD1 3.4Å; V128-L133 VanDerWaalsContact CG1-CD1 3.4Å; V128-L133 HydrophobicContact CG1-CG 4.2Å |
| 129 | N | 68.8 | Low | 62 | Low | 85 Ų | 85 | 105.3 Ų | 105.3 | 46% | 0.455 | 63% | 0.625 | S | S | . | * | | | trans | -70.4 | 102.9 | 175.8 | -174.6 | -9.6 | 0 | 0 | 0 | 110.2 | A131 V132 | N129-A131 PolarHBondContact O-N 2.96Å; N129-A131 VanDerWaalsContact O-N 3.17Å; N129-A131 WeakPolarHBondContact OD1-CB 3.4Å; N129-A131 PolarHBondContact OD1-N 2.76Å; N129-A131 VanDerWaalsContact OD1-N 3.14Å; N129-V132 HydrophobicContact CB-CB 4.29Å; N129-V132 HydrophobicContact CB-CG2 3.95Å; N129-V132 WeakPolarHBondContact O-CB 3.48Å; N129-V132 PolarHBondContact O-N 3.24Å |
| 130 | G | 63.5 | Low | 61.9 | Low | 32 Ų | 32 | 106.8 Ų | 106.8 | 33% | 0.33 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.7 | -29.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V128 V132 L133 G134 L135 | V128-G130 PolarHBondContact O-N 3.28Å; G130-V132 VanDerWaalsContact C-N 3.32Å; G130-V132 PolarHBondContact O-N 3.38Å; G130-L133 PolarHBondContact O-N 3Å; G130-G134 PolarHBondContact O-N 3.44Å; G130-L135 PolarHBondContact O-N 3.13Å |
| 131 | A | 65.8 | Low | 61.6 | Low | 87 Ų | 87 | 112.6 Ų | 112.6 | 72% | 0.719 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -23.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | N129 | N129-A131 PolarHBondContact O-N 2.96Å; N129-A131 VanDerWaalsContact O-N 3.17Å; N129-A131 WeakPolarHBondContact OD1-CB 3.4Å; N129-A131 PolarHBondContact OD1-N 2.76Å; N129-A131 VanDerWaalsContact OD1-N 3.14Å |
| 132 | V | 66.2 | Low | 61.2 | Low | 114 Ų | 114 | 114.7 Ų | 114.7 | 69% | 0.691 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -23.2 | 175.4 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | N129 G130 | N129-V132 HydrophobicContact CB-CB 4.29Å; N129-V132 HydrophobicContact CB-CG2 3.95Å; N129-V132 WeakPolarHBondContact O-CB 3.48Å; N129-V132 PolarHBondContact O-N 3.24Å; G130-V132 VanDerWaalsContact C-N 3.32Å; G130-V132 PolarHBondContact O-N 3.38Å |
| 133 | L | 66 | Low | 60.7 | Low | 107 Ų | 107 | 114.3 Ų | 114.3 | 56% | 0.56 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 1.1 | 179 | -62.9 | -174 | 0 | 0 | 0 | 113.9 | V128 G130 L135 | V128-L133 HydrophobicContact CG1-CD1 3.4Å; V128-L133 VanDerWaalsContact CG1-CD1 3.4Å; V128-L133 HydrophobicContact CG1-CG 4.2Å; G130-L133 PolarHBondContact O-N 3Å; L133-L135 HydrophobicContact CB-CD1 4.02Å; L133-L135 HydrophobicContact CB-CD2 4.45Å; L133-L135 HydrophobicContact CB-CG 3.77Å; L133-L135 HydrophobicContact CD1-CD1 4.19Å; L133-L135 PolarHBondContact O-N 2.91Å; L133-L135 VanDerWaalsContact O-N 3.15Å |
| 134 | G | 63.3 | Low | 60.3 | Low | 36 Ų | 36 | 110.2 Ų | 110.2 | 37% | 0.371 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 63 | 17.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G130 D136 E137 | G130-G134 PolarHBondContact O-N 3.44Å; G134-D136 PolarHBondContact O-N 2.94Å; G134-E137 PolarHBondContact O-N 2.75Å; G134-E137 VanDerWaalsContact O-N 3.13Å |
| 135 | L | 64.6 | Low | 59.8 | Low | 110 Ų | 110 | 112.4 Ų | 112.4 | 58% | 0.576 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -16.1 | -171.3 | -63.5 | 176 | 0 | 0 | 0 | 113.7 | G130 L133 | G130-L135 PolarHBondContact O-N 3.13Å; L133-L135 HydrophobicContact CB-CD1 4.02Å; L133-L135 HydrophobicContact CB-CD2 4.45Å; L133-L135 HydrophobicContact CB-CG 3.77Å; L133-L135 HydrophobicContact CD1-CD1 4.19Å; L133-L135 PolarHBondContact O-N 2.91Å; L133-L135 VanDerWaalsContact O-N 3.15Å |
| 136 | D | 64.1 | Low | 58.5 | Low | 157 Ų | 157 | 108.4 Ų | 108.4 | 84% | 0.84 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -9.9 | 178.1 | -148.3 | 29.9 | 0 | 0 | 0 | 112.6 | G134 | G134-D136 PolarHBondContact O-N 2.94Š|
| 137 | E | 62.9 | Low | 58.1 | Low | 149 Ų | 149 | 107.3 Ų | 107.3 | 70% | 0.696 | 66% | 0.659 | S | S | * | * | | | trans | -98.9 | 9.4 | -167.5 | -144.6 | 171.4 | -150.8 | 0 | 0 | 114.4 | G134 T139 | G134-E137 PolarHBondContact O-N 2.75Å; G134-E137 VanDerWaalsContact O-N 3.13Å; E137-T139 VanDerWaalsContact C-N 3.32Å; E137-T139 PolarHBondContact O-N 3Å |
| 138 | I | 60.7 | Low | 57 | Low | 149 Ų | 149 | 116 Ų | 116 | 76% | 0.764 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -0.2 | -174 | 53 | 172.2 | 0 | 0 | 0 | 116.1 | | |
| 139 | T | 59.4 | Low | 56.1 | Low | 131 Ų | 131 | 118.8 Ų | 118.8 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.8 | 10.5 | -178.6 | 57 | 0 | 0 | 0 | 0 | 115.5 | E137 E141 | E137-T139 VanDerWaalsContact C-N 3.32Å; E137-T139 PolarHBondContact O-N 3Å; T139-E141 PolarHBondContact O-N 2.98Å |
| 140 | S | 57 | Low | 54.9 | Low | 87 Ų | 87 | 124.9 Ų | 124.9 | 61% | 0.608 | 71% | 0.711 | S | S | * | * | | | trans | -95.3 | 32.4 | 175.8 | 78.2 | 0 | 0 | 0 | 0 | 114.5 | K142 | S140-K142 PolarHBondContact O-N 3.01Š|
| 141 | E | 51 | Low | 53.7 | Low | 187 Ų | 187 | 131.9 Ų | 131.9 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | | | trans | -67.1 | 86.4 | 167.6 | -166.3 | -173.6 | 162 | 0 | 0 | 110.7 | T139 A143 | T139-E141 PolarHBondContact O-N 2.98Å; E141-A143 PolarHBondContact O-N 3.11Å; E141-A143 VanDerWaalsContact O-N 3.13Å |
| 142 | K | 48.5 | Very low | 52.7 | Low | 163 Ų | 163 | 134.4 Ų | 134.4 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | | | trans | 15.3 | 88.6 | 148.6 | -172 | 174.7 | 177.2 | -72.5 | 0 | 114.4 | S140 S144 | S140-K142 PolarHBondContact O-N 3.01Å; K142-S144 PolarHBondContact O-N 3.28Å |
| 143 | A | 46.8 | Very low | 51.2 | Low | 105 Ų | 105 | 133.9 Ų | 133.9 | 87% | 0.868 | 74% | 0.741 | S | S | * | * | | | trans | -59.7 | 84.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | E141 | E141-A143 PolarHBondContact O-N 3.11Å; E141-A143 VanDerWaalsContact O-N 3.13Å |
| 144 | S | 48.7 | Very low | 49.9 | Very low | 82 Ų | 82 | 134.2 Ų | 134.2 | 57% | 0.573 | 75% | 0.752 | S | S | * | * | | | trans | -73.7 | 129.2 | 173.7 | 63.3 | 0 | 0 | 0 | 0 | 109.8 | K142 | K142-S144 PolarHBondContact O-N 3.28Š|
| 145 | P | 47.5 | Very low | 48.8 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | | | trans | -75.7 | 153.5 | 176.7 | 31.1 | -34.2 | 0 | 0 | 0 | 111.1 | | |
| 146 | A | 40 | Very low | 47.7 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | | | trans | 76.9 | 105.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 147 | A | 49.5 | Very low | 46.4 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | | | | 67.4 | 102.9 | 126.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 148 | R | 40.9 | Very low | 45.1 | Very low | 241 Ų | 241 | 139.1 Ų | 139.1 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | | | | -157.7 | 105.9 | 121.7 | -112.9 | 159.7 | 173.4 | -118.4 | -0.9 | 114.4 | | |
| 149 | Q | 42.2 | Very low | 44.4 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | | | trans | 16.8 | 112.1 | 149.7 | -59.5 | -177.6 | -45 | 0 | 0 | 118.7 | K151 | Q149-K151 PolarHBondContact O-N 2.91Š|
| 150 | K | 43.6 | Very low | 43.4 | Very low | 213 Ų | 213 | 138.9 Ų | 138.9 | 93% | 0.926 | 78% | 0.781 | S | S | * | * | | | trans | -58.3 | 130.4 | 152.9 | -69.6 | 180 | 177 | 179.6 | 0 | 109.2 | | |
| 151 | K | 40 | Very low | 42.5 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | | | trans | -126 | 130.4 | 161.9 | -74.7 | -170.7 | 177.2 | -176.7 | 0 | 109.5 | Q149 | Q149-K151 PolarHBondContact O-N 2.91Š|
| 152 | T | 42.7 | Very low | 42.4 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | -95.2 | 128.4 | 179.3 | 47.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 153 | S | 36.5 | Very low | 41.9 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -179.8 | 106.6 | 161.7 | 45.6 | 0 | 0 | 0 | 0 | 106.4 | | |
| 154 | S | 38.8 | Very low | 42.1 | Very low | 113 Ų | 113 | 147.6 Ų | 147.6 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | | 84.6 | 124.6 | 71.8 | 73.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 155 | K | 39.6 | Very low | 42.1 | Very low | 209 Ų | 209 | 152.8 Ų | 152.8 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | 105.6 | 132.9 | 149.9 | -156.7 | 161.9 | -175.1 | 173.9 | 0 | 117.4 | | |
| 156 | A | 40.3 | Very low | 42.6 | Very low | 91 Ų | 91 | 154.8 Ų | 154.8 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | | | trans | -87.2 | 156.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 157 | A | 37.8 | Very low | 43.5 | Very low | 96 Ų | 96 | 159.2 Ų | 159.2 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | | | | 179.9 | 162 | 124.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 158 | E | 35.3 | Very low | 44 | Very low | 159 Ų | 159 | 160 Ų | 160 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | | | trans | 95.8 | 129.2 | 148.7 | -155.3 | 165.2 | 162.2 | 0 | 0 | 120.5 | Q160 | E158-Q160 HydrophobicContact CG-CG 4.47Å; E158-Q160 PolarHBondContact OE1-NE2 3.26Å |
| 159 | V | 46 | Very low | 45 | Very low | 136 Ų | 136 | 158.6 Ų | 158.6 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | | | trans | -108.4 | 118.9 | 178.7 | 168.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 160 | Q | 37.7 | Very low | 46 | Very low | 139 Ų | 139 | 157.3 Ų | 157.3 | 65% | 0.65 | 80% | 0.798 | S | S | * | * | | | trans | -139.8 | 102.8 | 162.2 | -68.1 | -155.3 | 26.1 | 0 | 0 | 114 | E158 | E158-Q160 HydrophobicContact CG-CG 4.47Å; E158-Q160 PolarHBondContact OE1-NE2 3.26Å |
| 161 | R | 39.6 | Very low | 46.7 | Very low | 205 Ų | 205 | 151.9 Ų | 151.9 | 77% | 0.774 | 79% | 0.785 | S | S | * | * | | | trans | 36.6 | 126.7 | 138 | -51.6 | -171.7 | -167.6 | 102.3 | 1 | 121.9 | | |
| 162 | K | 47.2 | Very low | 47.4 | Very low | 195 Ų | 195 | 152.2 Ų | 152.2 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | | | trans | 57.1 | 121.2 | 138.9 | -66.2 | -161.3 | 173.5 | -157.4 | 0 | 120.1 | | |
| 163 | N | 39.6 | Very low | 47.8 | Very low | 167 Ų | 167 | 153.9 Ų | 153.9 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | | | | -158.9 | 157.7 | 116.5 | -90.5 | -30.1 | 0 | 0 | 0 | 110.4 | | |
| 164 | D | 50.1 | Low | 48.3 | Very low | 158 Ų | 158 | 154.4 Ų | 154.4 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | -73.7 | 131.8 | 166.1 | -84.9 | -80.6 | 0 | 0 | 0 | 109.7 | | |
| 165 | E | 48.6 | Very low | 48.9 | Very low | 192 Ų | 192 | 154.8 Ų | 154.8 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | | | trans | -171.6 | 122.4 | 142.7 | -107.6 | 163.5 | 158 | 0 | 0 | 108.6 | | |
| 166 | D | 59.6 | Low | 49.7 | Very low | 163 Ų | 163 | 150.7 Ų | 150.7 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | | | trans | -64.7 | 132.4 | 158.5 | -89.9 | -43.7 | 0 | 0 | 0 | 107.8 | | |
| 167 | E | 58.6 | Low | 50.3 | Low | 190 Ų | 190 | 151.8 Ų | 151.8 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | | | trans | 161.8 | 148.9 | 147.6 | -81.5 | -93.4 | 160.4 | 0 | 0 | 109.5 | | |
| 168 | D | 59.1 | Low | 51.1 | Low | 111 Ų | 111 | 155.3 Ų | 155.3 | 59% | 0.594 | 78% | 0.778 | S | S | * | * | | | trans | 68.9 | 58.9 | 176.3 | -157.8 | 40 | 0 | 0 | 0 | 118.6 | K170 | D168-K170 VanDerWaalsContact C-N 3.29Å; D168-K170 PolarHBondContact O-N 2.86Å; D168-K170 WeakPolarHBondContact OD1-CG 3.48Å; D168-K170 IonicContact OD1-NZ 2.8Å; D168-K170 PolarHBondContact OD1-NZ 3.36Å; D168-K170 IonicContact OD2-NZ 2.59Å; D168-K170 PolarHBondContact OD2-NZ 3.43Å |
| 169 | Y | 61.2 | Low | 51.5 | Low | 210 Ų | 210 | 152.2 Ų | 152.2 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | trans | -67.9 | 86.5 | 155.8 | -177.1 | -96.9 | 0 | 0 | 0 | 110.4 | P171 | Y169-P171 HydrophobicContact CE1-CB 4.36Å; Y169-P171 WeakPolarHBondContact O-CD 3.38Å |
| 170 | K | 65.1 | Low | 52 | Low | 135 Ų | 135 | 153 Ų | 153 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | | | trans | -72 | 119.6 | 163.7 | -81.6 | -178.6 | 175 | 59.4 | 0 | 109.9 | D168 K172 | D168-K170 VanDerWaalsContact C-N 3.29Å; D168-K170 PolarHBondContact O-N 2.86Å; D168-K170 WeakPolarHBondContact OD1-CG 3.48Å; D168-K170 IonicContact OD1-NZ 2.8Å; D168-K170 PolarHBondContact OD1-NZ 3.36Å; D168-K170 IonicContact OD2-NZ 2.59Å; D168-K170 PolarHBondContact OD2-NZ 3.43Å; K170-K172 PolarHBondContact O-N 2.86Å; K170-K172 VanDerWaalsContact O-N 3.11Å |
| 171 | P | 57.7 | Low | 52.9 | Low | 98 Ų | 98 | 153 Ų | 153 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | trans | -64.2 | 116.3 | 171.5 | 26.8 | -32.6 | 0 | 0 | 0 | 109.1 | Y169 L173 | Y169-P171 HydrophobicContact CE1-CB 4.36Å; Y169-P171 WeakPolarHBondContact O-CD 3.38Å; P171-L173 PolarHBondContact O-N 3.34Å |
| 172 | K | 54.3 | Low | 53.5 | Low | 187 Ų | 187 | 149.2 Ų | 149.2 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | trans | -73.3 | 108.5 | 175.6 | -64.8 | 179.8 | -176.8 | 175 | 0 | 108.4 | K170 T174 | K170-K172 PolarHBondContact O-N 2.86Å; K170-K172 VanDerWaalsContact O-N 3.11Å; K172-T174 PolarHBondContact O-N 3.03Å |
| 173 | L | 52.2 | Low | 53.5 | Low | 174 Ų | 174 | 149.6 Ų | 149.6 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | | | trans | -68.8 | 83.9 | 163.4 | -72.1 | 170 | 0 | 0 | 0 | 108.6 | P171 P175 | P171-L173 PolarHBondContact O-N 3.34Å; L173-P175 WeakPolarHBondContact O-CD 3.49Å |
| 174 | T | 46.8 | Very low | 54.2 | Low | 115 Ų | 115 | 145.6 Ų | 145.6 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | trans | -74.5 | 119.6 | 160.1 | 45.3 | 0 | 0 | 0 | 0 | 107.8 | K172 D176 | K172-T174 PolarHBondContact O-N 3.03Å; T174-D176 PolarHBondContact O-N 2.92Å |
| 175 | P | 51.3 | Low | 54.3 | Low | 121 Ų | 121 | 146.9 Ų | 146.9 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | | | trans | -64.4 | 130.9 | 168.7 | -13 | 28 | 0 | 0 | 0 | 108.6 | L173 | L173-P175 WeakPolarHBondContact O-CD 3.49Š|
| 176 | D | 55 | Low | 54.3 | Low | 122 Ų | 122 | 142.7 Ų | 142.7 | 65% | 0.652 | 75% | 0.746 | S | S | * | * | | | trans | 50.1 | 115.2 | 153.8 | -140.1 | 7.4 | 0 | 0 | 0 | 118.8 | T174 E178 | T174-D176 PolarHBondContact O-N 2.92Å; D176-E178 WeakPolarHBondContact OD1-CG 3.3Å |
| 177 | S | 53.6 | Low | 53.9 | Low | 114 Ų | 114 | 143.6 Ų | 143.6 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | -142.8 | 75.6 | 163.5 | -72 | 0 | 0 | 0 | 0 | 108.7 | S179 | S177-S179 PolarHBondContact O-N 3.3Å; S177-S179 VanDerWaalsContact O-N 3.11Å |
| 178 | E | 54.5 | Low | 53.3 | Low | 170 Ų | 170 | 143.3 Ų | 143.3 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | | | trans | -54.4 | 104.1 | 156.6 | -42.6 | -178.2 | 124.5 | 0 | 0 | 108 | D176 | D176-E178 WeakPolarHBondContact OD1-CG 3.3Š|
| 179 | S | 44.1 | Very low | 52.7 | Low | 94 Ų | 94 | 142.4 Ų | 142.4 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | | | trans | -115.7 | 84.2 | 170.2 | -166.4 | 0 | 0 | 0 | 0 | 107 | S177 E181 | S177-S179 PolarHBondContact O-N 3.3Å; S177-S179 VanDerWaalsContact O-N 3.11Å; S179-E181 VanDerWaalsContact C-N 3.31Å; S179-E181 WeakPolarHBondContact CA-OE2 3.49Å; S179-E181 PolarHBondContact O-N 3.04Å; S179-E181 PolarHBondContact OG-OE2 2.8Å |
| 180 | D | 55.5 | Low | 52 | Low | 152 Ų | 152 | 141 Ų | 141 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | | | trans | -81 | 78.6 | 172.6 | -179.6 | 39.8 | 0 | 0 | 0 | 109 | | |
| 181 | E | 57.2 | Low | 51.3 | Low | 140 Ų | 140 | 140.8 Ų | 140.8 | 65% | 0.654 | 75% | 0.749 | S | S | * | * | | | trans | -114.3 | 76 | 176.1 | -94.1 | 77.5 | -162.9 | 0 | 0 | 111.1 | S179 F183 | S179-E181 VanDerWaalsContact C-N 3.31Å; S179-E181 WeakPolarHBondContact CA-OE2 3.49Å; S179-E181 PolarHBondContact O-N 3.04Å; S179-E181 PolarHBondContact OG-OE2 2.8Å; E181-F183 PolarHBondContact O-N 2.59Å |
| 182 | D | 53.1 | Low | 50.9 | Low | 126 Ų | 126 | 145.3 Ų | 145.3 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | | | trans | 31.7 | 80.4 | 144.8 | -167.7 | 0 | 0 | 0 | 0 | 116.1 | S184 | D182-S184 PolarHBondContact O-N 3.41Å; D182-S184 PolarHBondContact OD1-N 3.04Å; D182-S184 PolarHBondContact OD1-OG 3.46Å; D182-S184 VanDerWaalsContact OD1-OG 3.12Å |
| 183 | F | 45.8 | Very low | 50.5 | Low | 203 Ų | 203 | 143.2 Ų | 143.2 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | | | trans | -76.6 | 76.6 | 165.7 | -123.6 | -84.8 | 0 | 0 | 0 | 109.9 | E181 E185 | E181-F183 PolarHBondContact O-N 2.59Å; F183-E185 PolarHBondContact O-N 2.95Å |
| 184 | S | 54.6 | Low | 50 | Low | 83 Ų | 83 | 144.2 Ų | 144.2 | 58% | 0.58 | 75% | 0.752 | S | S | * | * | | | trans | -54.3 | 124.5 | 176.1 | -49.6 | 0 | 0 | 0 | 0 | 110.8 | D182 P186 | D182-S184 PolarHBondContact O-N 3.41Å; D182-S184 PolarHBondContact OD1-N 3.04Å; D182-S184 PolarHBondContact OD1-OG 3.46Å; D182-S184 VanDerWaalsContact OD1-OG 3.12Å; S184-P186 VanDerWaalsContact O-CD 3.31Å; S184-P186 WeakPolarHBondContact O-CD 3.49Å |
| 185 | E | 52.8 | Low | 49.8 | Very low | 184 Ų | 184 | 142.5 Ų | 142.5 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | | | trans | -56.8 | 122.3 | 175.3 | -70.7 | -176 | 125.9 | 0 | 0 | 110.2 | F183 E187 | F183-E185 PolarHBondContact O-N 2.95Å; E185-E187 VanDerWaalsContact C-N 3.3Å; E185-E187 PolarHBondContact O-N 2.83Å |
| 186 | P | 48.3 | Very low | 50 | Low | 104 Ų | 104 | 142.8 Ų | 142.8 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | | | trans | -72.9 | 95.1 | 161.9 | 30 | -30.3 | 0 | 0 | 0 | 107.5 | S184 K188 | S184-P186 VanDerWaalsContact O-CD 3.31Å; S184-P186 WeakPolarHBondContact O-CD 3.49Å; P186-K188 VanDerWaalsContact C-N 3.25Å; P186-K188 PolarHBondContact O-N 3.25Å |
| 187 | E | 51.7 | Low | 49.9 | Very low | 182 Ų | 182 | 145.7 Ų | 145.7 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | | | trans | -53.8 | 90.6 | 166.6 | -172.4 | 178.9 | -152.8 | 0 | 0 | 109.2 | E185 S189 | E185-E187 VanDerWaalsContact C-N 3.3Å; E185-E187 PolarHBondContact O-N 2.83Å; E187-S189 PolarHBondContact O-N 2.72Å |
| 188 | K | 45.6 | Very low | 50 | Low | 185 Ų | 185 | 149.9 Ų | 149.9 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | -95.7 | 77.8 | 172.6 | -74.2 | -73 | -175.7 | 176.5 | 0 | 108.1 | P186 | P186-K188 VanDerWaalsContact C-N 3.25Å; P186-K188 PolarHBondContact O-N 3.25Å |
| 189 | S | 47.4 | Very low | 49.8 | Very low | 91 Ų | 91 | 147.4 Ų | 147.4 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | | | trans | -35.3 | 149.3 | 136.3 | 50.4 | 0 | 0 | 0 | 0 | 110 | E187 | E187-S189 PolarHBondContact O-N 2.72Š|
| 190 | E | 44.9 | Very low | 49.7 | Very low | 181 Ų | 181 | 148 Ų | 148 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | | | cis | 173.9 | 151.8 | 6.6 | 160.6 | 175.3 | -150.4 | 0 | 0 | 101.6 | | |
| 191 | D | 52.1 | Low | 48.9 | Very low | 131 Ų | 131 | 151.2 Ų | 151.2 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | trans | 52.4 | 107 | 169.7 | -165.7 | 21.9 | 0 | 0 | 0 | 118.3 | E193 | D191-E193 PolarHBondContact OD1-N 3.46Š|
| 192 | E | 49.2 | Very low | 48.1 | Very low | 192 Ų | 192 | 148.9 Ų | 148.9 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | | | | -152.7 | 88.3 | 125.6 | -116.2 | 175.8 | -157.8 | 0 | 0 | 110.4 | F194 | E192-F194 PolarHBondContact O-N 2.99Š|
| 193 | E | 45.7 | Very low | 47.6 | Very low | 144 Ų | 144 | 152.9 Ų | 152.9 | 67% | 0.673 | 78% | 0.781 | S | S | * | * | | | trans | -38.7 | 117.5 | 169 | -179.7 | -178.4 | -160.8 | 0 | 0 | 113.6 | D191 T195 | D191-E193 PolarHBondContact OD1-N 3.46Å; E193-T195 HydrophobicContact CG-CG2 3.65Å; E193-T195 PolarHBondContact O-N 3.19Å; E193-T195 WeakPolarHBondContact OE1-CG2 3.49Å |
| 194 | F | 40.9 | Very low | 47.4 | Very low | 194 Ų | 194 | 155 Ų | 155 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | trans | -74.3 | 49.1 | 177.3 | -147.2 | -92 | 0 | 0 | 0 | 113 | E192 V196 | E192-F194 PolarHBondContact O-N 2.99Å; F194-V196 PolarHBondContact O-N 3.26Å |
| 195 | T | 43.4 | Very low | 46.7 | Very low | 79 Ų | 79 | 159.7 Ų | 159.7 | 49% | 0.485 | 79% | 0.793 | S | S | . | * | | | trans | -87.4 | 81.7 | 171.8 | 52.6 | 0 | 0 | 0 | 0 | 111.6 | E193 K197 | E193-T195 HydrophobicContact CG-CG2 3.65Å; E193-T195 PolarHBondContact O-N 3.19Å; E193-T195 WeakPolarHBondContact OE1-CG2 3.49Å; T195-K197 PolarHBondContact O-N 3.29Å |
| 196 | V | 55.3 | Low | 45.9 | Very low | 128 Ų | 128 | 157.9 Ų | 157.9 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -68.7 | 64.4 | 162.3 | -77.5 | 0 | 0 | 0 | 0 | 111.8 | F194 | F194-V196 PolarHBondContact O-N 3.26Š|
| 197 | K | 51.4 | Low | 45.4 | Very low | 182 Ų | 182 | 162 Ų | 162 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | -101.9 | 91.8 | 171 | -88.9 | -175.3 | 176.7 | 171.2 | 0 | 111.2 | T195 S199 | T195-K197 PolarHBondContact O-N 3.29Å; K197-S199 PolarHBondContact O-N 3.35Å |
| 198 | K | 57.3 | Low | 44.6 | Very low | 203 Ų | 203 | 159.8 Ų | 159.8 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -3.6 | 101.2 | 153.2 | -174.2 | 170.5 | -177.1 | 170.8 | 0 | 115.5 | | |
| 199 | S | 49.1 | Very low | 44.1 | Very low | 118 Ų | 118 | 156.5 Ų | 156.5 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -99.1 | 103.3 | 171.3 | 50.8 | 0 | 0 | 0 | 0 | 111.5 | K197 | K197-S199 PolarHBondContact O-N 3.35Š|
| 200 | S | 42.1 | Very low | 43.5 | Very low | 106 Ų | 106 | 161.7 Ų | 161.7 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | trans | -75.8 | 123.4 | 169.5 | 43.3 | 0 | 0 | 0 | 0 | 110.6 | A202 | S200-A202 PolarHBondContact O-N 3.46Š|
| 201 | K | 39.3 | Very low | 43.1 | Very low | 219 Ų | 219 | 161.7 Ų | 161.7 | 95% | 0.952 | 79% | 0.794 | S | S | * | * | | | trans | -77 | 85.8 | 179.3 | -168.2 | 172.6 | -174.1 | 170.6 | 0 | 111.4 | | |
| 202 | A | 40.9 | Very low | 42.2 | Very low | 92 Ų | 92 | 162.4 Ų | 162.4 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | trans | -97.4 | 156.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S200 | S200-A202 PolarHBondContact O-N 3.46Š|
| 203 | K | 41.8 | Very low | 41.8 | Very low | 210 Ų | 210 | 162.2 Ų | 162.2 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | | | trans | -87.8 | 148.4 | -166 | -75.4 | -164.8 | 177.5 | -176.5 | 0 | 115.7 | | |
| 204 | R | 41.4 | Very low | 41.6 | Very low | 247 Ų | 247 | 161.2 Ų | 161.2 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | | | trans | -37.2 | 125.8 | 163.2 | -174.1 | -168.3 | -160.3 | -165.6 | 8 | 116.2 | | |
| 205 | K | 41 | Very low | 41.4 | Very low | 182 Ų | 182 | 161 Ų | 161 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | 172.4 | 155.2 | 146.2 | -99.4 | 176.9 | 168.2 | -86.6 | 0 | 105.5 | | |
| 206 | E | 34.8 | Very low | 41.4 | Very low | 145 Ų | 145 | 163.2 Ų | 163.2 | 68% | 0.678 | 81% | 0.814 | S | S | * | * | | | cis | -177 | 137.5 | -10.1 | 176.9 | 169.4 | 156.2 | 0 | 0 | 104.8 | | |
| 207 | K | 38.5 | Very low | 40.5 | Very low | 191 Ų | 191 | 162.1 Ų | 162.1 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | | | trans | -7.4 | 134 | 161.5 | -164.1 | -178.5 | -169.4 | -178.5 | 0 | 118.2 | | |
| 208 | V | 35.1 | Very low | 40 | Very low | 136 Ų | 136 | 159.3 Ų | 159.3 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | | | | -177.5 | 167.8 | 127 | 146.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 209 | T | 34.7 | Very low | 39.1 | Very low | 115 Ų | 115 | 153.9 Ų | 153.9 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | | | trans | -99.5 | 165.2 | -150.4 | 53.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 210 | K | 34.8 | Very low | 39 | Very low | 201 Ų | 201 | 153.1 Ų | 153.1 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | trans | 99.2 | 158.5 | 136.8 | -108.5 | 179.7 | 179.5 | -178.8 | 0 | 120 | | |
| 211 | K | 36.2 | Very low | 38.6 | Very low | 181 Ų | 181 | 158.2 Ų | 158.2 | 79% | 0.787 | 80% | 0.801 | S | S | * | * | | | trans | -67.2 | 168.5 | -171.7 | -55.3 | -173.3 | 174.8 | -173.1 | 0 | 111.8 | | |
| 212 | D | 32.6 | Very low | 38.5 | Very low | 146 Ų | 146 | 154.4 Ų | 154.4 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | | | cis | -167 | 174.1 | 49.2 | -123.8 | -56 | 0 | 0 | 0 | 114.7 | | |
| 213 | K | 42.4 | Very low | 38.4 | Very low | 188 Ų | 188 | 157 Ų | 157 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | | | trans | -92.7 | 171 | 163.6 | -76.9 | -173.8 | 179.6 | 179.3 | 0 | 108.8 | | |
| 214 | P | 40.2 | Very low | 38.2 | Very low | 123 Ų | 123 | 155.6 Ų | 155.6 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | | | cis | -144.1 | -165.4 | 21.5 | 41.7 | -18.9 | 0 | 0 | 0 | 117 | | |
| 215 | K | 36.5 | Very low | 37.9 | Very low | 190 Ų | 190 | 152.5 Ų | 152.5 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | | | trans | -61.7 | 160.7 | 169.6 | -126.3 | 176.9 | -176.1 | 175.3 | 0 | 112.3 | | |
| 216 | P | 43.2 | Very low | 37.7 | Very low | 125 Ų | 125 | 152.9 Ų | 152.9 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | | | | -149.1 | -177.2 | 76.4 | 38.9 | -19.1 | 0 | 0 | 0 | 116.5 | | |
| 217 | S | 36.4 | Very low | 37.8 | Very low | 104 Ų | 104 | 151.9 Ų | 151.9 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -93.8 | 172.8 | 168.9 | 56.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 218 | P | 41.4 | Very low | 37.9 | Very low | 124 Ų | 124 | 152.6 Ų | 152.6 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | | | | -151.6 | 171.9 | 92.3 | 38.3 | -19.3 | 0 | 0 | 0 | 116.7 | | |
| 219 | A | 37.8 | Very low | 38 | Very low | 89 Ų | 89 | 152 Ų | 152 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | trans | -89.5 | -179.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 220 | P | 47.1 | Very low | 38.1 | Very low | 101 Ų | 101 | 151.4 Ų | 151.4 | 66% | 0.656 | 79% | 0.787 | S | S | * | * | | | | -167 | -177 | 84.8 | 46.7 | -26 | 0 | 0 | 0 | 119.6 | | |
| 221 | R | 35.1 | Very low | 38.1 | Very low | 214 Ų | 214 | 149.9 Ų | 149.9 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | | | trans | 77 | 149 | 155 | -67.4 | 161.2 | -160.9 | -116.7 | -4.4 | 118 | | |
| 222 | K | 36.8 | Very low | 38.1 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 60% | 0.604 | 79% | 0.786 | S | S | * | * | | | cis | -166.7 | 156.4 | 2.5 | -124.3 | 172.6 | 166.1 | -131.4 | 0 | 114.2 | | |
| 223 | E | 39.7 | Very low | 38.4 | Very low | 147 Ų | 147 | 148.9 Ų | 148.9 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | | | trans | 60.8 | 162.3 | 144.1 | -75.1 | 157.7 | -176.3 | 0 | 0 | 123.8 | | |
| 224 | K | 36.4 | Very low | 38.7 | Very low | 180 Ų | 180 | 145 Ų | 145 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | cis | -175.4 | 161.7 | -43.6 | -155 | 173.2 | -174.4 | 179.4 | 0 | 110.8 | | |
| 225 | K | 34.8 | Very low | 38.6 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | | | trans | 81.8 | 134.5 | 169.2 | -50 | 176.4 | -176.4 | 179.6 | 0 | 115.2 | | |
| 226 | Q | 37 | Very low | 38.3 | Very low | 191 Ų | 191 | 143 Ų | 143 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | | | cis | 81.5 | 116.8 | 27.4 | -71.3 | -169.5 | -38.8 | 0 | 0 | 117.7 | | |
| 227 | S | 37.8 | Very low | 37.8 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | -153.5 | 147.2 | 151.7 | 54.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 228 | K | 40.3 | Very low | 37.7 | Very low | 207 Ų | 207 | 142.8 Ų | 142.8 | 90% | 0.9 | 78% | 0.783 | S | S | * | * | | | trans | -131.2 | 151 | 174.4 | -69.4 | -179.8 | 178 | 179.2 | 0 | 108.4 | | |
| 229 | S | 36.4 | Very low | 37.4 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -157.4 | 175 | 159.4 | 55.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 230 | S | 37.6 | Very low | 37.2 | Very low | 103 Ų | 103 | 144.1 Ų | 144.1 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | | -158.5 | 163.6 | -129.1 | 49.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 231 | L | 34.7 | Very low | 36.6 | Very low | 168 Ų | 168 | 149.3 Ų | 149.3 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | | | trans | 68.6 | 153.5 | 171.8 | -99.4 | 57.2 | 0 | 0 | 0 | 115.2 | | |
| 232 | S | 35.8 | Very low | 36.8 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | cis | -153.9 | 164.2 | 4.1 | 44.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 233 | K | 40 | Very low | 37.7 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | | | trans | -96 | 176.8 | 164.3 | -110 | 179.1 | -177.4 | 177.1 | 0 | 109.3 | | |
| 234 | P | 48.7 | Very low | 37.8 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 68% | 0.682 | 81% | 0.809 | S | S | * | * | | | cis | -128 | -154.5 | 28.8 | 37.6 | -14.4 | 0 | 0 | 0 | 112.1 | | |
| 235 | Q | 36.5 | Very low | 37.9 | Very low | 178 Ų | 178 | 138.6 Ų | 138.6 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | cis | -143.2 | -132.8 | 6.9 | -163.7 | 129.6 | -55.9 | 0 | 0 | 113.7 | | |
| 236 | A | 31.9 | Very low | 38.2 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | | | trans | -166.6 | 150.7 | -158.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 237 | A | 32.4 | Very low | 38.1 | Very low | 89 Ų | 89 | 134.2 Ų | 134.2 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | | | trans | 172.5 | 109.8 | 148.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 238 | V | 33.4 | Very low | 38.1 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | | | | 67.5 | 144.2 | 82.9 | -60 | 0 | 0 | 0 | 0 | 118.9 | | |
| 239 | V | 35.8 | Very low | 38.2 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | | | trans | 99.5 | 144 | 163 | -166 | 0 | 0 | 0 | 0 | 117 | | |
| 240 | S | 33.9 | Very low | 38.6 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -138.9 | 179.1 | -157.1 | -36.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 241 | K | 34.1 | Very low | 38.4 | Very low | 211 Ų | 211 | 133.1 Ų | 133.1 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | | | trans | 111.7 | 147.6 | 158.2 | -62.4 | 174.1 | 179 | 179 | 0 | 117 | | |
| 242 | S | 38.9 | Very low | 38.7 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | -113.8 | -159.3 | -173 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 243 | P | 55.2 | Low | 38.8 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | | | | -119.7 | -170.6 | -88.6 | 40.6 | -25 | 0 | 0 | 0 | 112.4 | | |
| 244 | P | 42.3 | Very low | 38.7 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -125.1 | 166.1 | 154.4 | 37.3 | -25.9 | 0 | 0 | 0 | 113.8 | | |
| 245 | A | 37.8 | Very low | 38.4 | Very low | 99 Ų | 99 | 130.3 Ų | 130.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -129.5 | 160.4 | -165 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 246 | A | 41.1 | Very low | 38.7 | Very low | 91 Ų | 91 | 130.7 Ų | 130.7 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | | | trans | 68.6 | 126 | 155.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 247 | K | 36.2 | Very low | 39.1 | Very low | 190 Ų | 190 | 131.9 Ų | 131.9 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | | | | -176 | 129.8 | 105.7 | -96.7 | 165.9 | -174.5 | 177.6 | 0 | 114.8 | | |
| 248 | L | 38.3 | Very low | 39.8 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | | | trans | 73.2 | 155.1 | 143.8 | -55.9 | 172.5 | 0 | 0 | 0 | 121.5 | | |
| 249 | V | 41.7 | Very low | 41.2 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -136 | 173 | -157.6 | 157.6 | 0 | 0 | 0 | 0 | 106.5 | | |
| 250 | P | 45 | Very low | 41.7 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | | | cis | -129.3 | 167.9 | -1.4 | 24.3 | -1.4 | 0 | 0 | 0 | 117 | | |
| 251 | S | 33.2 | Very low | 42.3 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -170.1 | 115.2 | 139.1 | -175.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 252 | K | 41.1 | Very low | 43 | Very low | 195 Ų | 195 | 132.5 Ų | 132.5 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | | | trans | 54.2 | 147.9 | 156.3 | -81.9 | 171.1 | 175.5 | 169 | 0 | 121.8 | | |
| 253 | P | 37.7 | Very low | 43.2 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | | | trans | -86.7 | 129.3 | -173.2 | 34 | -33.4 | 0 | 0 | 0 | 112.8 | | |
| 254 | A | 36.9 | Very low | 43.1 | Very low | 74 Ų | 74 | 133.2 Ų | 133.2 | 61% | 0.612 | 80% | 0.802 | S | S | * | * | | | trans | -103.8 | 127.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | F256 | A254-F256 HydrophobicContact CB-CD2 4.37Å; A254-F256 HydrophobicContact CB-CE2 3.86Å; A254-F256 PolarHBondContact O-N 3.41Å |
| 255 | S | 43.2 | Very low | 43.1 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -72.3 | 105.9 | -178.5 | 52.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 256 | F | 42.6 | Very low | 43.8 | Very low | 185 Ų | 185 | 132.4 Ų | 132.4 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | -106.2 | 109.1 | 168.7 | -72.7 | -75 | 0 | 0 | 0 | 110.7 | A254 V258 | A254-F256 HydrophobicContact CB-CD2 4.37Å; A254-F256 HydrophobicContact CB-CE2 3.86Å; A254-F256 PolarHBondContact O-N 3.41Å; F256-V258 PolarHBondContact O-N 2.86Å |
| 257 | S | 41.3 | Very low | 44.4 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | trans | -71.9 | 105.6 | 170.1 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 258 | V | 46.6 | Very low | 45.2 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 122.4 | 166.1 | -74.5 | 0 | 0 | 0 | 0 | 108.9 | F256 | F256-V258 PolarHBondContact O-N 2.86Š|
| 259 | K | 61.7 | Low | 46 | Very low | 196 Ų | 196 | 121.9 Ų | 121.9 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 127.1 | 174.3 | -61.8 | 176.9 | -178.1 | 177.7 | 0 | 108.8 | | |
| 260 | P | 47.4 | Very low | 47.3 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 140.5 | 168.9 | 28.2 | -32.4 | 0 | 0 | 0 | 109.8 | S262 | P260-S262 PolarHBondContact O-N 2.97Š|
| 261 | V | 45.3 | Very low | 48.4 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 129.2 | 167.4 | 162.5 | 0 | 0 | 0 | 0 | 108.8 | S263 | V261-S263 PolarHBondContact O-N 3.28Š|
| 262 | S | 49.3 | Very low | 50.2 | Low | 108 Ų | 108 | 128.6 Ų | 128.6 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | trans | -63.8 | 106.8 | 172.8 | -63.4 | 0 | 0 | 0 | 0 | 110.1 | P260 V264 | P260-S262 PolarHBondContact O-N 2.97Å; S262-V264 PolarHBondContact O-N 3.47Å |
| 263 | S | 43.1 | Very low | 51.9 | Low | 100 Ų | 100 | 128.1 Ų | 128.1 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | | | trans | -66.2 | 114.1 | 161.6 | 42.2 | 0 | 0 | 0 | 0 | 108.7 | V261 S265 | V261-S263 PolarHBondContact O-N 3.28Å; S263-S265 PolarHBondContact O-N 2.75Å |
| 264 | V | 52.6 | Low | 53.9 | Low | 140 Ų | 140 | 132 Ų | 132 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | | | trans | -76.2 | 79.6 | 170.8 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | S262 | S262-V264 PolarHBondContact O-N 3.47Š|
| 265 | S | 44.1 | Very low | 55.7 | Low | 78 Ų | 78 | 134.7 Ų | 134.7 | 55% | 0.545 | 78% | 0.778 | S | S | . | * | | | trans | -74.5 | 127.1 | 166.4 | -64.7 | 0 | 0 | 0 | 0 | 108.9 | S263 A267 | S263-S265 PolarHBondContact O-N 2.75Å; S265-A267 PolarHBondContact O-N 3.13Å |
| 266 | P | 51.3 | Low | 57.2 | Low | 134 Ų | 134 | 133.1 Ų | 133.1 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -70.6 | -14.3 | 175.9 | 29.2 | -34.4 | 0 | 0 | 0 | 112.6 | G268 | P266-G268 VanDerWaalsContact C-N 3.26Å; P266-G268 PolarHBondContact O-N 2.71Å |
| 267 | A | 53.4 | Low | 58.8 | Low | 99 Ų | 99 | 129.4 Ų | 129.4 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -81.5 | 62 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S265 | S265-A267 PolarHBondContact O-N 3.13Š|
| 268 | G | 52.5 | Low | 59.4 | Low | 63 Ų | 63 | 127.6 Ų | 127.6 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | | | trans | -131.1 | 10 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P266 R270 | P266-G268 VanDerWaalsContact C-N 3.26Å; P266-G268 PolarHBondContact O-N 2.71Å; G268-R270 PolarHBondContact O-N 3.21Å; G268-R270 VanDerWaalsContact O-N 3.11Å |
| 269 | G | 55.3 | Low | 59.9 | Low | 65 Ų | 65 | 129.4 Ų | 129.4 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | | | trans | -66.5 | 107.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I271 | G269-I271 PolarHBondContact O-N 2.88Š|
| 270 | R | 69 | Low | 59.6 | Low | 239 Ų | 239 | 126.9 Ų | 126.9 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | | | trans | -58.6 | 110.2 | 165 | -58 | 179.9 | -165 | 176.9 | 5.1 | 106.7 | G268 P272 | G268-R270 PolarHBondContact O-N 3.21Å; G268-R270 VanDerWaalsContact O-N 3.11Å; R270-P272 WeakPolarHBondContact O-CD 3.41Å |
| 271 | I | 69.2 | Low | 59.9 | Low | 155 Ų | 155 | 124.3 Ų | 124.3 | 80% | 0.795 | 75% | 0.747 | S | S | * | * | | | trans | -51.3 | 119.7 | 178.8 | -59.4 | 166 | 0 | 0 | 0 | 106.9 | G269 K273 | G269-I271 PolarHBondContact O-N 2.88Å; I271-K273 PolarHBondContact O-N 3Å |
| 272 | P | 69.8 | Low | 60.2 | Low | 113 Ų | 113 | 126.8 Ų | 126.8 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | | | trans | -59.7 | 117.6 | 178.6 | 24 | -32.1 | 0 | 0 | 0 | 106.8 | R270 W274 | R270-P272 WeakPolarHBondContact O-CD 3.41Å; P272-W274 VanDerWaalsContact C-N 3.27Å; P272-W274 PolarHBondContact O-N 3.21Å |
| 273 | K | 78.8 | Confident | 60 | Low | 185 Ų | 185 | 126.8 Ų | 126.8 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | | | trans | -67.5 | 92.6 | -175.4 | -170.8 | 171.7 | 179.5 | 68.4 | 0 | 108.2 | I271 N275 | I271-K273 PolarHBondContact O-N 3Å; K273-N275 PolarHBondContact O-N 3.24Å |
| 274 | W | 78.8 | Confident | 60.3 | Low | 210 Ų | 210 | 127.6 Ų | 127.6 | 80% | 0.795 | 75% | 0.75 | S | S | * | * | | | trans | -62.3 | 102.1 | 179 | 179.3 | -102.5 | 0 | 0 | 0 | 108.5 | P272 P276 | P272-W274 VanDerWaalsContact C-N 3.27Å; P272-W274 PolarHBondContact O-N 3.21Å; W274-P276 VanDerWaalsContact O-CD 3.27Å; W274-P276 WeakPolarHBondContact O-CD 3.42Å |
| 275 | N | 75.6 | Confident | 60.2 | Low | 131 Ų | 131 | 127.5 Ų | 127.5 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | trans | -77.8 | 110.2 | 163.6 | -74.5 | -31.2 | 0 | 0 | 0 | 105.9 | K273 | K273-N275 PolarHBondContact O-N 3.24Š|
| 276 | P | 74.8 | Confident | 60.2 | Low | 90 Ų | 90 | 129 Ų | 129 | 58% | 0.584 | 76% | 0.76 | S | S | * | * | | | trans | -57.7 | 144.5 | 174 | 26.5 | -34.1 | 0 | 0 | 0 | 108.6 | W274 A278 | W274-P276 VanDerWaalsContact O-CD 3.27Å; W274-P276 WeakPolarHBondContact O-CD 3.42Å; P276-A278 PolarHBondContact O-N 3.19Å |
| 277 | P | 76 | Confident | 60.1 | Low | 108 Ų | 108 | 127.5 Ų | 127.5 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | trans | -55.4 | 114.1 | 177.1 | 23 | -32.8 | 0 | 0 | 0 | 108.3 | Q279 | P277-Q279 PolarHBondContact O-N 2.96Š|
| 278 | A | 53.6 | Low | 60.3 | Low | 81 Ų | 81 | 132.1 Ų | 132.1 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | | | trans | -55 | 136.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | P276 V280 | P276-A278 PolarHBondContact O-N 3.19Å; A278-V280 PolarHBondContact O-N 2.96Å |
| 279 | Q | 56.4 | Low | 60.2 | Low | 166 Ų | 166 | 135.5 Ų | 135.5 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | trans | -68.1 | 82.2 | 168.8 | -70.6 | -168.6 | 4.2 | 0 | 0 | 108.7 | P277 G281 | P277-Q279 PolarHBondContact O-N 2.96Å; Q279-G281 PolarHBondContact O-N 3.17Å; Q279-G281 VanDerWaalsContact O-N 3.13Å |
| 280 | V | 54.9 | Low | 59.8 | Low | 144 Ų | 144 | 137.8 Ų | 137.8 | 87% | 0.873 | 77% | 0.769 | S | S | * | * | | | trans | -64 | 111.8 | 170.9 | 178.4 | 0 | 0 | 0 | 0 | 107.4 | A278 | A278-V280 PolarHBondContact O-N 2.96Š|
| 281 | G | 54.4 | Low | 59.1 | Low | 66 Ų | 66 | 131.1 Ų | 131.1 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | | | trans | 115.2 | 59.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q279 | Q279-G281 PolarHBondContact O-N 3.17Å; Q279-G281 VanDerWaalsContact O-N 3.13Å |
| 282 | K | 52.1 | Low | 58 | Low | 187 Ų | 187 | 130 Ų | 130 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | | | trans | -136 | 85.5 | 154.3 | -69.8 | -169.7 | -179.3 | 178.1 | 0 | 111.5 | | |
| 283 | S | 43.7 | Very low | 57.6 | Low | 109 Ų | 109 | 133.9 Ų | 133.9 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | -147.3 | 120 | 161.5 | 55.8 | 0 | 0 | 0 | 0 | 108 | | |
| 284 | P | 51.3 | Low | 56.5 | Low | 116 Ų | 116 | 129.5 Ų | 129.5 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | | | trans | -75.6 | 163.9 | -178.8 | 32 | -34.9 | 0 | 0 | 0 | 112 | | |
| 285 | T | 49.6 | Very low | 55.2 | Low | 138 Ų | 138 | 125.6 Ų | 125.6 | 85% | 0.847 | 77% | 0.765 | S | S | * | * | | | trans | 56.2 | 98.3 | 163.1 | 51.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 286 | S | 43.7 | Very low | 54.4 | Low | 110 Ų | 110 | 124.8 Ų | 124.8 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | | -175.7 | 122.2 | 105 | -168.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 287 | S | 50.2 | Low | 53.8 | Low | 103 Ų | 103 | 124.9 Ų | 124.9 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | | | trans | 51.7 | 105.1 | 141.7 | -44.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 288 | Q | 57 | Low | 53.2 | Low | 196 Ų | 196 | 122.6 Ų | 122.6 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | | | trans | 69.6 | 84 | 133.9 | -154.2 | 172 | 27.6 | 0 | 0 | 118.5 | | |
| 289 | T | 50.5 | Low | 53.6 | Low | 133 Ų | 133 | 125.7 Ų | 125.7 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | | | trans | -132.8 | 150.9 | 154.2 | 49.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 290 | P | 47.3 | Very low | 54 | Low | 114 Ų | 114 | 124.6 Ų | 124.6 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | | | trans | -67.3 | 148.2 | -173.6 | 27.2 | -35 | 0 | 0 | 0 | 112 | V292 | P290-V292 WeakPolarHBondContact O-CG2 3.3Å; P290-V292 PolarHBondContact O-N 3.15Å |
| 291 | A | 53.9 | Low | 54.8 | Low | 98 Ų | 98 | 125.3 Ų | 125.3 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | trans | -63.6 | 86.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114 | K293 | A291-K293 PolarHBondContact O-N 3.05Å; A291-K293 VanDerWaalsContact O-N 3.1Å |
| 292 | V | 45.7 | Very low | 55.5 | Low | 133 Ų | 133 | 126.2 Ų | 126.2 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | | | trans | -72.5 | 101.2 | 167.3 | -163.5 | 0 | 0 | 0 | 0 | 107.7 | P290 S294 | P290-V292 WeakPolarHBondContact O-CG2 3.3Å; P290-V292 PolarHBondContact O-N 3.15Å; V292-S294 PolarHBondContact O-N 3.4Å |
| 293 | K | 60.3 | Low | 56.2 | Low | 193 Ų | 193 | 121.3 Ų | 121.3 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | | | trans | -59.6 | 106.8 | 177.5 | -65.8 | 166.4 | -176.7 | 172 | 0 | 108.7 | A291 | A291-K293 PolarHBondContact O-N 3.05Å; A291-K293 VanDerWaalsContact O-N 3.1Å |
| 294 | S | 56.4 | Low | 57.3 | Low | 94 Ų | 94 | 119.9 Ų | 119.9 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | | | trans | -59.4 | 137.2 | 172.4 | 45.8 | 0 | 0 | 0 | 0 | 109.3 | V292 S296 | V292-S294 PolarHBondContact O-N 3.4Å; S294-S296 PolarHBondContact O-N 3.29Å |
| 295 | P | 50.8 | Low | 58.2 | Low | 127 Ų | 127 | 125.4 Ų | 125.4 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | | | trans | -67.3 | 79.7 | 173.7 | -22.9 | 35.2 | 0 | 0 | 0 | 111.4 | A297 | P295-A297 PolarHBondContact O-N 3.21Š|
| 296 | S | 58.7 | Low | 59.1 | Low | 115 Ų | 115 | 127 Ų | 127 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | -71.1 | 6.6 | 177 | 63.4 | 0 | 0 | 0 | 0 | 113.8 | S294 G298 | S294-S296 PolarHBondContact O-N 3.29Å; S296-G298 PolarHBondContact O-N 3.45Å |
| 297 | A | 62.9 | Low | 60.5 | Low | 92 Ų | 92 | 125.6 Ų | 125.6 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | | | trans | -71.9 | 77.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110 | P295 | P295-A297 PolarHBondContact O-N 3.21Š|
| 298 | G | 63.4 | Low | 61.7 | Low | 60 Ų | 60 | 132.4 Ų | 132.4 | 62% | 0.619 | 75% | 0.749 | S | S | * | * | | | trans | -52.3 | 152.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S296 R300 | S296-G298 PolarHBondContact O-N 3.45Å; G298-R300 VanDerWaalsContact C-N 3.3Å; G298-R300 PolarHBondContact O-N 3.14Å |
| 299 | L | 62.3 | Low | 62.5 | Low | 145 Ų | 145 | 126.4 Ų | 126.4 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | | | trans | -62.7 | 87.1 | -178.9 | -79.4 | 160.3 | 0 | 0 | 0 | 111.2 | L301 | L299-L301 VanDerWaalsContact C-N 3.34Å; L299-L301 PolarHBondContact O-N 3.13Å |
| 300 | R | 64.7 | Low | 64 | Low | 144 Ų | 144 | 129.1 Ų | 129.1 | 54% | 0.543 | 73% | 0.726 | S | S | . | * | | | trans | -78.1 | 85.3 | 175 | -167.6 | 174.1 | -178.6 | 127.3 | 3.8 | 109.5 | G298 L303 | G298-R300 VanDerWaalsContact C-N 3.3Å; G298-R300 PolarHBondContact O-N 3.14Å; R300-L303 HydrophobicContact CG-CB 4.29Å; R300-L303 VanDerWaalsContact NE-CD1 3.26Å; R300-L303 VanDerWaalsContact NH2-CD1 3.34Å |
| 301 | L | 72.5 | Confident | 65.3 | Low | 158 Ų | 158 | 129 Ų | 129 | 83% | 0.827 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | 139.6 | 171.7 | -56.6 | -179.6 | 0 | 0 | 0 | 109.5 | L299 | L299-L301 VanDerWaalsContact C-N 3.34Å; L299-L301 PolarHBondContact O-N 3.13Å |
| 302 | G | 67.6 | Low | 66.3 | Low | 85 Ų | 85 | 131.7 Ų | 131.7 | 88% | 0.876 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.8 | -9.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 303 | L | 66.9 | Low | 67.7 | Low | 84 Ų | 84 | 132 Ų | 132 | 44% | 0.44 | 72% | 0.718 | S | S | . | * | S | Bend | trans | -133.9 | 136.2 | 175.3 | -78.2 | 163.6 | 0 | 0 | 0 | 111.4 | R300 R305 | R300-L303 HydrophobicContact CG-CB 4.29Å; R300-L303 VanDerWaalsContact NE-CD1 3.26Å; R300-L303 VanDerWaalsContact NH2-CD1 3.34Å; L303-R305 PolarHBondContact O-N 3.18Å |
| 304 | S | 67 | Low | 68.3 | Low | 79 Ų | 79 | 128.7 Ų | 128.7 | 55% | 0.552 | 72% | 0.716 | S | S | * | * | | | trans | -57.3 | 137.9 | -177.1 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | M306 V307 | S304-M306 PolarHBondContact O-N 3.21Å; S304-V307 PolarHBondContact O-N 3.42Å |
| 305 | R | 70.4 | Confident | 68.4 | Low | 233 Ų | 233 | 129.4 Ų | 129.4 | 88% | 0.879 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -18.4 | -178.5 | -58.9 | -176.2 | -176.4 | -154.9 | 1.1 | 114 | L303 | L303-R305 PolarHBondContact O-N 3.18Š|
| 306 | M | 69.4 | Low | 68.7 | Low | 171 Ų | 171 | 129.5 Ų | 129.5 | 84% | 0.842 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -12.8 | 179.1 | -58.5 | -174.6 | 75.7 | 0 | 0 | 113.8 | S304 R308 | S304-M306 PolarHBondContact O-N 3.21Å; M306-R308 PolarHBondContact O-N 3.47Å; M306-R308 VanDerWaalsContact O-N 3.16Å |
| 307 | V | 72.6 | Confident | 68.4 | Low | 80 Ų | 80 | 128.5 Ų | 128.5 | 49% | 0.485 | 72% | 0.717 | S | S | . | * | | | trans | -79.5 | 100 | 177.9 | 177.9 | 0 | 0 | 0 | 0 | 108.8 | S304 V309 | S304-V307 PolarHBondContact O-N 3.42Å; V307-V309 HydrophobicContact CG1-CG2 4.23Å; V307-V309 PolarHBondContact O-N 3.48Å |
| 308 | R | 75.5 | Confident | 67.7 | Low | 246 Ų | 246 | 130.1 Ų | 130.1 | 93% | 0.928 | 72% | 0.718 | S | S | * | * | | | trans | -63.9 | 118.6 | 170.5 | -78.5 | 179.2 | -86 | 128.9 | -6.9 | 109.4 | M306 | M306-R308 PolarHBondContact O-N 3.47Å; M306-R308 VanDerWaalsContact O-N 3.16Å |
| 309 | V | 73.8 | Confident | 66.7 | Low | 71 Ų | 71 | 139.2 Ų | 139.2 | 43% | 0.43 | 74% | 0.744 | S | S | . | * | | | trans | -104.9 | 136.6 | 173.5 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | V307 | V307-V309 HydrophobicContact CG1-CG2 4.23Å; V307-V309 PolarHBondContact O-N 3.48Å |
| 310 | K | 80.8 | Confident | 66.9 | Low | 189 Ų | 189 | 139 Ų | 139 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | | | trans | -61.5 | 131.4 | 177.8 | -66.3 | 172.7 | 67.5 | 175.3 | 0 | 109 | L312 | K310-L312 PolarHBondContact O-N 3.39Š|
| 311 | P | 74.9 | Confident | 67.1 | Low | 112 Ų | 112 | 138.7 Ų | 138.7 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | -61.8 | 132.7 | 170.3 | 27.2 | -33 | 0 | 0 | 0 | 108.6 | H313 | P311-H313 PolarHBondContact O-N 3.35Š|
| 312 | L | 75.7 | Confident | 66.7 | Low | 155 Ų | 155 | 137.6 Ų | 137.6 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -70.5 | -23.9 | -176.6 | -174.3 | 60.4 | 0 | 0 | 0 | 112.3 | K310 | K310-L312 PolarHBondContact O-N 3.39Š|
| 313 | H | 74.6 | Confident | 66.7 | Low | 139 Ų | 139 | 140.7 Ų | 140.7 | 64% | 0.644 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -118.1 | 134.1 | 177.8 | -52.7 | -65.4 | 0 | 0 | 0 | 109.4 | P311 S315 | P311-H313 PolarHBondContact O-N 3.35Å; H313-S315 PolarHBondContact O-N 3.29Å |
| 314 | P | 73.6 | Confident | 66.7 | Low | 124 Ų | 124 | 144.3 Ų | 144.3 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | | | trans | -61.2 | 127.9 | 165.6 | 27.9 | -32.3 | 0 | 0 | 0 | 107.9 | V316 | P314-V316 PolarHBondContact O-N 2.68Š|
| 315 | S | 58.8 | Low | 66.7 | Low | 108 Ų | 108 | 148.6 Ų | 148.6 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | trans | -60.3 | 127.7 | -178.2 | 49.9 | 0 | 0 | 0 | 0 | 110.8 | H313 A317 | H313-S315 PolarHBondContact O-N 3.29Å; S315-A317 PolarHBondContact O-N 2.99Å |
| 316 | V | 55.8 | Low | 66.4 | Low | 129 Ų | 129 | 142.6 Ų | 142.6 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | | | trans | -61.1 | 106.5 | 159.5 | 179.1 | 0 | 0 | 0 | 0 | 106.8 | P314 T318 | P314-V316 PolarHBondContact O-N 2.68Å; V316-T318 HydrophobicContact CG1-CG2 4.25Å; V316-T318 PolarHBondContact O-N 2.95Å |
| 317 | A | 52.2 | Low | 66.2 | Low | 94 Ų | 94 | 140.4 Ų | 140.4 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | | | trans | -76.8 | 90.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | S315 H319 | S315-A317 PolarHBondContact O-N 2.99Å; A317-H319 PolarHBondContact O-N 3.09Å |
| 318 | T | 48.9 | Very low | 65.6 | Low | 127 Ų | 127 | 145.4 Ų | 145.4 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | trans | -73.8 | 114.8 | 165.9 | 50.4 | 0 | 0 | 0 | 0 | 109.1 | V316 | V316-T318 HydrophobicContact CG1-CG2 4.25Å; V316-T318 PolarHBondContact O-N 2.95Å |
| 319 | H | 43.1 | Very low | 64.7 | Low | 251 Ų | 251 | 136.3 Ų | 136.3 | 100% | 1.162 | 77% | 0.772 | S | S | * | * | | | trans | -72.7 | 0 | 169.2 | -177.8 | -49.4 | 0 | 0 | 0 | 110.8 | A317 | A317-H319 PolarHBondContact O-N 3.09Š|