| 1 | M | 45.8 | Very low | 61 | Low | 245 Ų | 245 | 132.4 Ų | 132.4 | 100% | 1.207 | 83% | 0.828 | S | S | * | * | | | | 0 | 104.3 | 0 | -72.6 | 168.1 | 58.5 | 0 | 0 | 107.7 | | |
| 2 | G | 51.5 | Low | 61.7 | Low | 81 Ų | 81 | 129.4 Ų | 129.4 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | | | trans | -83.1 | 130.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A4 | G2-A4 PolarHBondContact O-N 3.28Š|
| 3 | S | 57.4 | Low | 62.6 | Low | 114 Ų | 114 | 137.2 Ų | 137.2 | 80% | 0.797 | 83% | 0.829 | S | S | * | * | | | trans | -77.1 | 102.7 | 173 | -176.9 | 0 | 0 | 0 | 0 | 109 | K5 | S3-K5 PolarHBondContact O-N 2.87Š|
| 4 | A | 61 | Low | 63.4 | Low | 97 Ų | 97 | 134.8 Ų | 134.8 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | | | trans | -77.1 | 113.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | G2 | G2-A4 PolarHBondContact O-N 3.28Š|
| 5 | K | 63 | Low | 64.3 | Low | 191 Ų | 191 | 133 Ų | 133 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | | | trans | -81.5 | 112.8 | 170 | -67.2 | 175 | 179.5 | 172.6 | 0 | 108 | S3 | S3-K5 PolarHBondContact O-N 2.87Š|
| 6 | S | 67.6 | Low | 64.9 | Low | 117 Ų | 117 | 133.1 Ų | 133.1 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 127.7 | 171.3 | 50.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 7 | V | 67.1 | Low | 65.6 | Low | 122 Ų | 122 | 133.5 Ų | 133.5 | 74% | 0.739 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 125.2 | 170.8 | 179.3 | 0 | 0 | 0 | 0 | 107.1 | V9 | V7-V9 PolarHBondContact O-N 2.79Š|
| 8 | P | 59.9 | Low | 66.3 | Low | 110 Ų | 110 | 130.5 Ų | 130.5 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -68 | 117.5 | 175.5 | 26.1 | -31 | 0 | 0 | 0 | 110 | T10 | P8-T10 VanDerWaalsContact C-N 3.27Å; P8-T10 PolarHBondContact O-N 3.22Å |
| 9 | V | 67.9 | Low | 67.1 | Low | 145 Ų | 145 | 131.9 Ų | 131.9 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | | | trans | -77.1 | 78 | 168.4 | 176.7 | 0 | 0 | 0 | 0 | 107.9 | V7 | V7-V9 PolarHBondContact O-N 2.79Š|
| 10 | T | 68.6 | Low | 67.7 | Low | 108 Ų | 108 | 133.3 Ų | 133.3 | 66% | 0.663 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -149.3 | 124.8 | 167.8 | -45.9 | 0 | 0 | 0 | 0 | 107.7 | P8 A12 | P8-T10 VanDerWaalsContact C-N 3.27Å; P8-T10 PolarHBondContact O-N 3.22Å; T10-A12 PolarHBondContact O-N 3.47Å |
| 11 | P | 60.8 | Low | 68.2 | Low | 126 Ų | 126 | 132.2 Ų | 132.2 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -64.8 | 103.1 | 173.9 | 25 | -30.1 | 0 | 0 | 0 | 108.3 | R13 | P11-R13 PolarHBondContact O-N 3.27Š|
| 12 | A | 70.4 | Confident | 69.5 | Low | 97 Ų | 97 | 124.4 Ų | 124.4 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | | | trans | -67.6 | 97.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | T10 | T10-A12 PolarHBondContact O-N 3.47Š|
| 13 | R | 72.5 | Confident | 70.4 | Confident | 231 Ų | 231 | 131.7 Ų | 131.7 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 128.2 | 170.8 | -176.8 | 178.7 | 179 | 179.5 | 1.2 | 107.8 | P11 | P11-R13 PolarHBondContact O-N 3.27Š|
| 14 | P | 74.6 | Confident | 71.4 | Confident | 103 Ų | 103 | 130.7 Ų | 130.7 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 137.9 | 177.1 | 21.1 | -30.1 | 0 | 0 | 0 | 109.3 | | |
| 15 | P | 76.6 | Confident | 71.9 | Confident | 108 Ų | 108 | 130.3 Ų | 130.3 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 145.8 | -179.5 | 22.1 | -31.4 | 0 | 0 | 0 | 109.9 | H17 | P15-H17 PolarHBondContact O-N 3.42Š|
| 16 | P | 74.4 | Confident | 72.6 | Confident | 134 Ų | 134 | 124.9 Ų | 124.9 | 87% | 0.87 | 71% | 0.709 | S | S | * | * | | | trans | -59.4 | 108.4 | -179.3 | 24.2 | -32.9 | 0 | 0 | 0 | 109.7 | | |
| 17 | H | 76.9 | Confident | 72.8 | Confident | 140 Ų | 140 | 125.2 Ų | 125.2 | 65% | 0.648 | 71% | 0.708 | S | S | * | * | | | trans | -84.8 | 129.4 | 176.6 | 77.9 | -79 | 0 | 0 | 0 | 109.2 | P15 | P15-H17 PolarHBondContact O-N 3.42Š|
| 18 | N | 77.6 | Confident | 73.1 | Confident | 80 Ų | 80 | 130.1 Ų | 130.1 | 43% | 0.428 | 71% | 0.713 | S | S | . | * | | | trans | -89.1 | 113.8 | 173.5 | -173.4 | -27.8 | 0 | 0 | 0 | 109.4 | H20 L21 A22 | N18-H20 PolarHBondContact O-N 2.73Å; N18-H20 WeakPolarHBondContact OD1-CB 3.44Å; N18-H20 PolarHBondContact OD1-CD2 3.47Å; N18-H20 PolarHBondContact OD1-N 3.28Å; N18-L21 HydrophobicContact CB-CB 4.18Å; N18-L21 HydrophobicContact CB-CD1 3.98Å; N18-L21 HydrophobicContact CB-CG 4.04Å; N18-L21 PolarHBondContact O-N 3.04Å; N18-A22 PolarHBondContact O-N 3.45Å; N18-A22 VanDerWaalsContact O-N 3.13Å |
| 19 | K | 82.1 | Confident | 73.7 | Confident | 158 Ų | 158 | 127.6 Ų | 127.6 | 69% | 0.687 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -29.5 | -179.9 | -63.9 | -178.4 | -178.1 | 179.4 | 0 | 113.2 | | |
| 20 | H | 79.1 | Confident | 74 | Confident | 158 Ų | 158 | 125.9 Ų | 125.9 | 73% | 0.731 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -28.6 | 178.7 | -58.9 | -70.4 | 0 | 0 | 0 | 112.5 | N18 V24 | N18-H20 PolarHBondContact O-N 2.73Å; N18-H20 WeakPolarHBondContact OD1-CB 3.44Å; N18-H20 PolarHBondContact OD1-CD2 3.47Å; N18-H20 PolarHBondContact OD1-N 3.28Å; H20-V24 WeakPolarHBondContact O-CG2 3.36Å |
| 21 | L | 76.5 | Confident | 74.2 | Confident | 112 Ų | 112 | 123.8 Ų | 123.8 | 59% | 0.586 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -19.5 | 177.2 | -62 | 179.4 | 0 | 0 | 0 | 112.6 | N18 R23 V24 | N18-L21 HydrophobicContact CB-CB 4.18Å; N18-L21 HydrophobicContact CB-CD1 3.98Å; N18-L21 HydrophobicContact CB-CG 4.04Å; N18-L21 PolarHBondContact O-N 3.04Å; L21-R23 PolarHBondContact O-N 3.49Å; L21-R23 VanDerWaalsContact O-N 3.11Å; L21-V24 HydrophobicContact CD2-CG2 4.44Å; L21-V24 PolarHBondContact O-N 3.03Å; L21-V24 VanDerWaalsContact O-N 3.08Å |
| 22 | A | 73.7 | Confident | 74.5 | Confident | 80 Ų | 80 | 122.9 Ų | 122.9 | 66% | 0.661 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -23.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | N18 | N18-A22 PolarHBondContact O-N 3.45Å; N18-A22 VanDerWaalsContact O-N 3.13Å |
| 23 | R | 71.1 | Confident | 74.2 | Confident | 235 Ų | 235 | 121.9 Ų | 121.9 | 89% | 0.887 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | -6.3 | 178.9 | -60.6 | -176.1 | 179.2 | -172.5 | -1.2 | 113.3 | L21 A25 | L21-R23 PolarHBondContact O-N 3.49Å; L21-R23 VanDerWaalsContact O-N 3.11Å; R23-A25 PolarHBondContact O-N 3.43Å |
| 24 | V | 77.8 | Confident | 74.2 | Confident | 92 Ų | 92 | 115.8 Ų | 115.8 | 56% | 0.558 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -80.7 | 110.5 | 176.6 | 177.5 | 0 | 0 | 0 | 0 | 106.2 | H20 L21 D26 | H20-V24 WeakPolarHBondContact O-CG2 3.36Å; L21-V24 HydrophobicContact CD2-CG2 4.44Å; L21-V24 PolarHBondContact O-N 3.03Å; L21-V24 VanDerWaalsContact O-N 3.08Å; V24-D26 PolarHBondContact O-N 3.13Å |
| 25 | A | 71.1 | Confident | 74 | Confident | 90 Ų | 90 | 119.1 Ų | 119.1 | 74% | 0.744 | 68% | 0.677 | S | S | * | * | | | trans | -59.7 | 114.4 | 170 | 0 | 0 | 0 | 0 | 0 | 107.7 | R23 P27 | R23-A25 PolarHBondContact O-N 3.43Å; A25-P27 VanDerWaalsContact O-CD 3.31Å; A25-P27 WeakPolarHBondContact O-CD 3.41Å |
| 26 | D | 77.4 | Confident | 73.9 | Confident | 76 Ų | 76 | 122.4 Ų | 122.4 | 41% | 0.406 | 68% | 0.676 | S | S | . | * | | | trans | -63.9 | 117.6 | 173 | 169.2 | 19.2 | 0 | 0 | 0 | 107.8 | V24 R28 S29 | V24-D26 PolarHBondContact O-N 3.13Å; D26-R28 PolarHBondContact O-N 3.13Å; D26-R28 WeakPolarHBondContact OD1-CB 3.49Å; D26-R28 PolarHBondContact OD1-N 2.89Å; D26-S29 WeakPolarHBondContact CB-OG 3.27Å; D26-S29 WeakPolarHBondContact O-CB 3.45Å; D26-S29 PolarHBondContact O-N 3.39Å; D26-S29 PolarHBondContact OD2-N 2.87Å; D26-S29 PolarHBondContact OD2-OG 2.92Å |
| 27 | P | 72.4 | Confident | 74.1 | Confident | 125 Ų | 125 | 121.6 Ų | 121.6 | 81% | 0.812 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -13.2 | -179.2 | 28.3 | -36.2 | 0 | 0 | 0 | 112.8 | A25 | A25-P27 VanDerWaalsContact O-CD 3.31Å; A25-P27 WeakPolarHBondContact O-CD 3.41Å |
| 28 | R | 74.1 | Confident | 74.2 | Confident | 224 Ų | 224 | 120.8 Ų | 120.8 | 85% | 0.845 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -9.2 | 176.7 | -52.5 | -179.7 | -163 | 160.4 | 5.2 | 113.1 | D26 | D26-R28 PolarHBondContact O-N 3.13Å; D26-R28 WeakPolarHBondContact OD1-CB 3.49Å; D26-R28 PolarHBondContact OD1-N 2.89Å |
| 29 | S | 72.4 | Confident | 73.9 | Confident | 57 Ų | 57 | 123.9 Ų | 123.9 | 40% | 0.399 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -79.7 | 131.3 | 177 | -75.8 | 0 | 0 | 0 | 0 | 109.2 | D26 S31 | D26-S29 WeakPolarHBondContact CB-OG 3.27Å; D26-S29 WeakPolarHBondContact O-CB 3.45Å; D26-S29 PolarHBondContact O-N 3.39Å; D26-S29 PolarHBondContact OD2-N 2.87Å; D26-S29 PolarHBondContact OD2-OG 2.92Å; S29-S31 PolarHBondContact O-N 3.43Å; S29-S31 VanDerWaalsContact O-N 3.14Å |
| 30 | P | 73.3 | Confident | 73.6 | Confident | 109 Ų | 109 | 124.8 Ų | 124.8 | 71% | 0.708 | 70% | 0.697 | S | S | * | * | | | trans | -54.6 | 127.6 | 172.6 | 24.8 | -32.5 | 0 | 0 | 0 | 107.3 | A32 | P30-A32 PolarHBondContact O-N 3.3Š|
| 31 | S | 74.4 | Confident | 73.2 | Confident | 64 Ų | 64 | 122.4 Ų | 122.4 | 45% | 0.448 | 69% | 0.693 | S | S | . | * | | | trans | -43.5 | 100.9 | -166.7 | -51 | 0 | 0 | 0 | 0 | 111.9 | S29 G33 I34 | S29-S31 PolarHBondContact O-N 3.43Å; S29-S31 VanDerWaalsContact O-N 3.14Å; S31-G33 PolarHBondContact O-N 3.43Å; S31-I34 PolarHBondContact O-N 3.11Å |
| 32 | A | 66 | Low | 72.8 | Confident | 107 Ų | 107 | 125.1 Ų | 125.1 | 88% | 0.884 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 96.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | P30 | P30-A32 PolarHBondContact O-N 3.3Š|
| 33 | G | 65.4 | Low | 72.1 | Confident | 76 Ų | 76 | 126.5 Ų | 126.5 | 78% | 0.784 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 135.3 | -5.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | S31 L35 | S31-G33 PolarHBondContact O-N 3.43Å; G33-L35 PolarHBondContact O-N 2.73Å |
| 34 | I | 71.8 | Confident | 71.7 | Confident | 104 Ų | 104 | 119.7 Ų | 119.7 | 53% | 0.533 | 70% | 0.696 | S | S | . | * | | | trans | -87.3 | 110.7 | 169 | -54.2 | 178.1 | 0 | 0 | 0 | 107.4 | S31 R36 | S31-I34 PolarHBondContact O-N 3.11Å; I34-R36 HydrophobicContact CB-CG 4.4Å; I34-R36 HydrophobicContact CG2-CG 3.94Å; I34-R36 PolarHBondContact O-N 3.27Å |
| 35 | L | 69.6 | Low | 70.8 | Confident | 173 Ų | 173 | 121 Ų | 121 | 91% | 0.906 | 71% | 0.707 | S | S | * | * | | | trans | -64.9 | 90 | 165 | -68.1 | 175.3 | 0 | 0 | 0 | 107.7 | G33 T37 | G33-L35 PolarHBondContact O-N 2.73Å; L35-T37 PolarHBondContact O-N 2.96Å |
| 36 | R | 76.1 | Confident | 70.3 | Confident | 177 Ų | 177 | 125.4 Ų | 125.4 | 67% | 0.668 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 121.5 | 174.9 | -65.3 | -174.6 | 179.7 | 179.1 | -0.4 | 107.6 | I34 | I34-R36 HydrophobicContact CB-CG 4.4Å; I34-R36 HydrophobicContact CG2-CG 3.94Å; I34-R36 PolarHBondContact O-N 3.27Å |
| 37 | T | 78.4 | Confident | 69.4 | Low | 117 Ų | 117 | 128.2 Ų | 128.2 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 134.2 | 164.3 | 48.8 | 0 | 0 | 0 | 0 | 107.8 | L35 I39 | L35-T37 PolarHBondContact O-N 2.96Å; T37-I39 PolarHBondContact O-N 2.84Å |
| 38 | P | 78.4 | Confident | 68.1 | Low | 122 Ų | 122 | 125.4 Ų | 125.4 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 120 | 174.6 | -21.1 | 30.4 | 0 | 0 | 0 | 108.4 | Q40 | P38-Q40 PolarHBondContact O-N 3.41Å; P38-Q40 VanDerWaalsContact O-N 3.12Å |
| 39 | I | 71.7 | Confident | 66.8 | Low | 145 Ų | 145 | 122.9 Ų | 122.9 | 74% | 0.744 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 116.8 | 175.3 | -60.6 | 171.2 | 0 | 0 | 0 | 105.4 | T37 V41 | T37-I39 PolarHBondContact O-N 2.84Å; I39-V41 VanDerWaalsContact C-N 3.31Å; I39-V41 HydrophobicContact CG2-CG2 4.17Å; I39-V41 PolarHBondContact O-N 3.21Å |
| 40 | Q | 74.3 | Confident | 65.8 | Low | 177 Ų | 177 | 125.9 Ų | 125.9 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | | | trans | -68.4 | 98.4 | 166.6 | -72.1 | 176.5 | -65 | 0 | 0 | 106.5 | P38 E42 | P38-Q40 PolarHBondContact O-N 3.41Å; P38-Q40 VanDerWaalsContact O-N 3.12Å; Q40-E42 VanDerWaalsContact C-N 3.26Å; Q40-E42 PolarHBondContact O-N 3Å |
| 41 | V | 71.6 | Confident | 64.9 | Low | 108 Ų | 108 | 126.1 Ų | 126.1 | 66% | 0.655 | 76% | 0.76 | S | S | * | * | | | trans | -78.3 | 86.2 | 171.7 | -176.2 | 0 | 0 | 0 | 0 | 106 | I39 S43 | I39-V41 VanDerWaalsContact C-N 3.31Å; I39-V41 HydrophobicContact CG2-CG2 4.17Å; I39-V41 PolarHBondContact O-N 3.21Å; V41-S43 PolarHBondContact O-N 3.13Å; V41-S43 VanDerWaalsContact O-N 3.15Å |
| 42 | E | 67.6 | Low | 63.4 | Low | 170 Ų | 170 | 126.5 Ų | 126.5 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | | | trans | -63.4 | 113.2 | 160.5 | -67.7 | -174 | 171.7 | 0 | 0 | 106.6 | Q40 | Q40-E42 VanDerWaalsContact C-N 3.26Å; Q40-E42 PolarHBondContact O-N 3Å |
| 43 | S | 59.9 | Low | 62.8 | Low | 108 Ų | 108 | 129.7 Ų | 129.7 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | 49.1 | 103.1 | 177 | 49.4 | 0 | 0 | 0 | 0 | 117.6 | V41 | V41-S43 PolarHBondContact O-N 3.13Å; V41-S43 VanDerWaalsContact O-N 3.15Å |
| 44 | S | 63.3 | Low | 61.7 | Low | 92 Ų | 92 | 134.8 Ų | 134.8 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | | | trans | -54.2 | 131.8 | 151.3 | -173.6 | 0 | 0 | 0 | 0 | 108.6 | Q46 | S44-Q46 PolarHBondContact O-N 3.41Š|
| 45 | P | 58.9 | Low | 60.5 | Low | 120 Ų | 120 | 136 Ų | 136 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | | | trans | -63.7 | 108.2 | 179.2 | 23.9 | -30.3 | 0 | 0 | 0 | 108.4 | | |
| 46 | Q | 59.2 | Low | 59.5 | Low | 183 Ų | 183 | 136.1 Ų | 136.1 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | | | trans | -69.3 | 133.1 | 169.6 | -83.9 | -169.6 | -41 | 0 | 0 | 108.4 | S44 G48 | S44-Q46 PolarHBondContact O-N 3.41Å; Q46-G48 PolarHBondContact O-N 3.06Å |
| 47 | P | 58.2 | Low | 58 | Low | 135 Ų | 135 | 131.3 Ų | 131.3 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | | | trans | -80.3 | 108.8 | 172.6 | 26.9 | -21.8 | 0 | 0 | 0 | 109 | | |
| 48 | G | 46.2 | Very low | 56.6 | Low | 66 Ų | 66 | 133.3 Ų | 133.3 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | | | trans | 149.6 | 92.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | Q46 | Q46-G48 PolarHBondContact O-N 3.06Š|
| 49 | L | 47 | Very low | 55.4 | Low | 170 Ų | 170 | 136.3 Ų | 136.3 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | | | trans | 67.4 | 165.4 | 144.5 | -49.5 | -179.7 | 0 | 0 | 0 | 119.9 | | |
| 50 | P | 51.4 | Low | 54.6 | Low | 121 Ų | 121 | 138.8 Ų | 138.8 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | | | | -111 | 167 | -79.9 | 32.7 | -16.8 | 0 | 0 | 0 | 112.2 | G52 | P50-G52 PolarHBondContact O-N 3.12Š|
| 51 | A | 54.5 | Low | 53.8 | Low | 113 Ų | 113 | 133.6 Ų | 133.6 | 93% | 0.934 | 78% | 0.783 | S | S | * | * | | | trans | -40.2 | 121.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 52 | G | 42.7 | Very low | 53.3 | Low | 73 Ų | 73 | 135.9 Ų | 135.9 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | trans | -151.2 | 122.8 | 170 | 0 | 0 | 0 | 0 | 0 | 109.1 | P50 | P50-G52 PolarHBondContact O-N 3.12Š|
| 53 | E | 52.2 | Low | 53.1 | Low | 173 Ų | 173 | 132 Ų | 132 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | | | trans | -47.5 | 136.2 | -171.3 | -66.1 | 154.6 | 121.7 | 0 | 0 | 116.2 | | |
| 54 | Q | 43 | Very low | 53.1 | Low | 183 Ų | 183 | 132.6 Ų | 132.6 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | | | trans | -161.3 | 87.3 | 136.2 | -73.8 | -51.8 | -13.2 | 0 | 0 | 106.7 | | |
| 55 | L | 46.3 | Very low | 53.7 | Low | 131 Ų | 131 | 132.4 Ų | 132.4 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | | | | 78 | 118.3 | 79 | -150.1 | 117.5 | 0 | 0 | 0 | 114.4 | | |
| 56 | E | 49 | Very low | 54.5 | Low | 175 Ų | 175 | 132.7 Ų | 132.7 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | 77.3 | 95.9 | 152.4 | -133.2 | 79.2 | -144.9 | 0 | 0 | 119.9 | | |
| 57 | G | 44.5 | Very low | 55.2 | Low | 75 Ų | 75 | 134.8 Ų | 134.8 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -179.3 | 69.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 58 | L | 48.3 | Very low | 55.9 | Low | 160 Ų | 160 | 130 Ų | 130 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 77.6 | 91.4 | 166.8 | -159.1 | 69.5 | 0 | 0 | 0 | 117.2 | H60 | L58-H60 VanDerWaalsContact C-N 3.35Å; L58-H60 PolarHBondContact O-N 2.7Å |
| 59 | K | 53.6 | Low | 57.4 | Low | 184 Ų | 184 | 132.2 Ų | 132.2 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | | | trans | 44.8 | 48.5 | 147.3 | -53.8 | -68.3 | -178.9 | 179.5 | 0 | 115.6 | A61 | K59-A61 PolarHBondContact O-N 3.11Š|
| 60 | H | 54.8 | Low | 58.9 | Low | 198 Ų | 198 | 128.6 Ų | 128.6 | 92% | 0.917 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 65.9 | 166.6 | -165.1 | 76.5 | 0 | 0 | 0 | 110 | L58 | L58-H60 VanDerWaalsContact C-N 3.35Å; L58-H60 PolarHBondContact O-N 2.7Å |
| 61 | A | 58.5 | Low | 59.9 | Low | 67 Ų | 67 | 129.6 Ų | 129.6 | 55% | 0.554 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.1 | 19.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | K59 | K59-A61 PolarHBondContact O-N 3.11Š|
| 62 | Q | 61.2 | Low | 60.5 | Low | 156 Ų | 156 | 128.5 Ų | 128.5 | 73% | 0.729 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -142.5 | 52.2 | -173 | -64.7 | -64.2 | -46.1 | 0 | 0 | 111.6 | | |
| 63 | D | 61.3 | Low | 61.9 | Low | 89 Ų | 89 | 130.2 Ų | 130.2 | 48% | 0.476 | 72% | 0.715 | S | S | . | * | | | trans | -176.8 | 60.9 | 158 | -86.5 | -37.7 | 0 | 0 | 0 | 109 | D65 S68 | D63-D65 PolarHBondContact O-N 3.47Å; D63-S68 PolarHBondContact OD1-OG 3.37Å |
| 64 | S | 61.7 | Low | 62.8 | Low | 121 Ų | 121 | 126.6 Ų | 126.6 | 85% | 0.846 | 72% | 0.715 | S | S | * | * | | | trans | -77.4 | -2.1 | 172.9 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | P66 | S64-P66 VanDerWaalsContact O-CD 3.3Å; S64-P66 WeakPolarHBondContact O-CD 3.25Å |
| 65 | D | 75.4 | Confident | 64.4 | Low | 88 Ų | 88 | 128.5 Ų | 128.5 | 47% | 0.471 | 71% | 0.714 | S | S | . | * | | | trans | -83.8 | 111.5 | 172.3 | -172.9 | -6.9 | 0 | 0 | 0 | 108.9 | D63 R67 S68 | D63-D65 PolarHBondContact O-N 3.47Å; D65-R67 PolarHBondContact O-N 3.2Å; D65-R67 VanDerWaalsContact OD1-CB 3.26Å; D65-R67 WeakPolarHBondContact OD1-CB 3.33Å; D65-R67 PolarHBondContact OD1-N 2.81Å; D65-S68 PolarHBondContact O-N 3.27Å; D65-S68 PolarHBondContact O-OG 3.49Å; D65-S68 VanDerWaalsContact O-OG 3.05Å |
| 66 | P | 74.8 | Confident | 65.5 | Low | 126 Ų | 126 | 128.6 Ų | 128.6 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -3.3 | 177.5 | 29.7 | -36.8 | 0 | 0 | 0 | 113.2 | S64 | S64-P66 VanDerWaalsContact O-CD 3.3Å; S64-P66 WeakPolarHBondContact O-CD 3.25Å |
| 67 | R | 74.3 | Confident | 66.1 | Low | 226 Ų | 226 | 125.9 Ų | 125.9 | 85% | 0.853 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -5 | 178.4 | -53.5 | 176.6 | -177.7 | 173.2 | 1.7 | 113.1 | D65 | D65-R67 PolarHBondContact O-N 3.2Å; D65-R67 VanDerWaalsContact OD1-CB 3.26Å; D65-R67 WeakPolarHBondContact OD1-CB 3.33Å; D65-R67 PolarHBondContact OD1-N 2.81Å |
| 68 | S | 74.3 | Confident | 67.3 | Low | 34 Ų | 34 | 130.4 Ų | 130.4 | 24% | 0.238 | 72% | 0.721 | C | S | . | * | S | Bend | trans | -76.6 | 139.9 | 178.7 | 59.3 | 0 | 0 | 0 | 0 | 111.4 | D63 D65 T70 | D63-S68 PolarHBondContact OD1-OG 3.37Å; D65-S68 PolarHBondContact O-N 3.27Å; D65-S68 PolarHBondContact O-OG 3.49Å; D65-S68 VanDerWaalsContact O-OG 3.05Å; S68-T70 PolarHBondContact O-N 2.85Å |
| 69 | P | 76.4 | Confident | 68.3 | Low | 113 Ų | 113 | 132.7 Ų | 132.7 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | | | trans | -65.8 | 131.3 | 177.3 | 26.5 | -32.4 | 0 | 0 | 0 | 109.7 | L71 | P69-L71 PolarHBondContact O-N 3.48Å; P69-L71 VanDerWaalsContact O-N 3.09Å |
| 70 | T | 77.8 | Confident | 68.9 | Low | 95 Ų | 95 | 129.2 Ų | 129.2 | 58% | 0.583 | 72% | 0.719 | S | S | * | * | | | trans | -60.4 | 115.7 | -178.8 | -46.2 | 0 | 0 | 0 | 0 | 110.9 | S68 G72 I73 | S68-T70 PolarHBondContact O-N 2.85Å; T70-G72 PolarHBondContact O-N 3.32Å; T70-I73 HydrophobicContact CG2-CD1 3.59Å; T70-I73 HydrophobicContact CG2-CG1 3.91Å; T70-I73 PolarHBondContact O-N 3.46Å |
| 71 | L | 72.5 | Confident | 69.2 | Low | 142 Ų | 142 | 124.9 Ų | 124.9 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | 131.1 | 175.3 | -65.1 | 178.2 | 0 | 0 | 0 | 110.3 | P69 | P69-L71 PolarHBondContact O-N 3.48Å; P69-L71 VanDerWaalsContact O-N 3.09Å |
| 72 | G | 68.4 | Low | 69.3 | Low | 89 Ų | 89 | 126.5 Ų | 126.5 | 92% | 0.918 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.3 | -9.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | T70 A74 | T70-G72 PolarHBondContact O-N 3.32Å; G72-A74 PolarHBondContact O-N 3.21Å |
| 73 | I | 72.1 | Confident | 69.4 | Low | 110 Ų | 110 | 122.6 Ų | 122.6 | 56% | 0.564 | 72% | 0.719 | S | S | * | * | | | trans | -95.7 | 86.9 | 170.5 | -51.8 | -177.5 | 0 | 0 | 0 | 108.7 | T70 R75 | T70-I73 HydrophobicContact CG2-CD1 3.59Å; T70-I73 HydrophobicContact CG2-CG1 3.91Å; T70-I73 PolarHBondContact O-N 3.46Å; I73-R75 VanDerWaalsContact C-N 3.33Å; I73-R75 HydrophobicContact CG2-CG 4.44Å; I73-R75 PolarHBondContact O-N 2.97Å |
| 74 | A | 71.1 | Confident | 69.7 | Low | 97 Ų | 97 | 124.8 Ų | 124.8 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | | | trans | -69.1 | 95.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | G72 T76 | G72-A74 PolarHBondContact O-N 3.21Å; A74-T76 PolarHBondContact O-N 3.18Å |
| 75 | R | 76.9 | Confident | 70.4 | Confident | 222 Ų | 222 | 123.8 Ų | 123.8 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | | | trans | -56.5 | 139.4 | 164.7 | -74.1 | -177.5 | 159.4 | 176.3 | -3.9 | 107.7 | I73 P77 | I73-R75 VanDerWaalsContact C-N 3.33Å; I73-R75 HydrophobicContact CG2-CG 4.44Å; I73-R75 PolarHBondContact O-N 2.97Å; R75-P77 VanDerWaalsContact O-N 3.13Å |
| 76 | T | 68.1 | Low | 70.4 | Confident | 133 Ų | 133 | 122.9 Ų | 122.9 | 82% | 0.816 | 72% | 0.72 | S | S | * | * | | | trans | -35.9 | 119.5 | -178.8 | -26.9 | 0 | 0 | 0 | 0 | 109.9 | A74 M78 | A74-T76 PolarHBondContact O-N 3.18Å; T76-M78 PolarHBondContact O-N 3.37Å |
| 77 | P | 63.2 | Low | 70.8 | Confident | 118 Ų | 118 | 119.6 Ų | 119.6 | 77% | 0.766 | 70% | 0.701 | S | S | * | * | | | trans | -58.7 | 116.7 | -174.6 | 20 | -30 | 0 | 0 | 0 | 108.5 | R75 K79 | R75-P77 VanDerWaalsContact O-N 3.13Å; P77-K79 PolarHBondContact O-N 3.09Å |
| 78 | M | 68.5 | Low | 71.2 | Confident | 170 Ų | 170 | 114 Ų | 114 | 84% | 0.837 | 69% | 0.693 | S | S | * | * | | | trans | -53.4 | 128.8 | 160.1 | -91.7 | 171.6 | 47.2 | 0 | 0 | 105.8 | T76 T80 | T76-M78 PolarHBondContact O-N 3.37Å; M78-T80 VanDerWaalsContact C-N 3.27Å; M78-T80 PolarHBondContact O-N 3Å |
| 79 | K | 70.1 | Confident | 71.8 | Confident | 209 Ų | 209 | 118.2 Ų | 118.2 | 91% | 0.909 | 71% | 0.713 | S | S | * | * | | | trans | -56.3 | 97.6 | 172.1 | -71.2 | -179.1 | 164.9 | -172.7 | 0 | 107.6 | P77 S81 | P77-K79 PolarHBondContact O-N 3.09Å; K79-S81 PolarHBondContact O-N 3.41Å; K79-S81 VanDerWaalsContact O-N 3.11Å |
| 80 | T | 65.5 | Low | 72.3 | Confident | 111 Ų | 111 | 116.2 Ų | 116.2 | 68% | 0.681 | 70% | 0.698 | S | S | * | * | | | trans | -68.8 | 108.7 | 165.8 | 51.5 | 0 | 0 | 0 | 0 | 104.4 | M78 S82 | M78-T80 VanDerWaalsContact C-N 3.27Å; M78-T80 PolarHBondContact O-N 3Å; T80-S82 PolarHBondContact O-N 2.95Å; T80-S82 PolarHBondContact O-OG 3.05Å |
| 81 | S | 60.6 | Low | 72.7 | Confident | 106 Ų | 106 | 117.3 Ų | 117.3 | 74% | 0.741 | 70% | 0.695 | S | S | * | * | | | trans | -63.6 | 70.7 | 169.2 | 171.4 | 0 | 0 | 0 | 0 | 108.5 | K79 | K79-S81 PolarHBondContact O-N 3.41Å; K79-S81 VanDerWaalsContact O-N 3.11Å |
| 82 | S | 60.9 | Low | 73.4 | Confident | 102 Ų | 102 | 116.4 Ų | 116.4 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | | | trans | -115.1 | 37.6 | -175.8 | 63.9 | 0 | 0 | 0 | 0 | 111.1 | T80 | T80-S82 PolarHBondContact O-N 2.95Å; T80-S82 PolarHBondContact O-OG 3.05Å |
| 83 | G | 63.7 | Low | 74.3 | Confident | 73 Ų | 73 | 117 Ų | 117 | 75% | 0.753 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -173.9 | -5.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 84 | D | 67.6 | Low | 74.9 | Confident | 136 Ų | 136 | 114.1 Ų | 114.1 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -92.8 | 134 | 172.6 | -121.2 | -11.5 | 0 | 0 | 0 | 109.2 | | |
| 85 | P | 75.4 | Confident | 75.6 | Confident | 100 Ų | 100 | 115.5 Ų | 115.5 | 65% | 0.649 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 138.4 | 175.1 | 24.9 | -33 | 0 | 0 | 0 | 109.4 | S87 | P85-S87 PolarHBondContact O-N 2.89Š|
| 86 | P | 76.1 | Confident | 75.8 | Confident | 68 Ų | 68 | 108.9 Ų | 108.9 | 44% | 0.442 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 133.2 | -177.9 | 21.4 | -29.3 | 0 | 0 | 0 | 109.2 | V90 K91 | P86-V90 HydrophobicContact CB-CB 4.15Å; P86-V90 HydrophobicContact CB-CG1 3.93Å; P86-K91 HydrophobicContact CB-CG 4.07Å; P86-K91 HydrophobicContact CG-CD 4.37Å; P86-K91 HydrophobicContact CG-CG 3.82Å; P86-K91 WeakPolarHBondContact O-CE 3.27Å |
| 87 | S | 83.2 | Confident | 76.3 | Confident | 58 Ų | 58 | 109 Ų | 109 | 41% | 0.406 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -54.8 | 149.7 | 175.6 | 72.5 | 0 | 0 | 0 | 0 | 109.9 | P85 L89 V90 K91 | P85-S87 PolarHBondContact O-N 2.89Å; S87-L89 PolarHBondContact O-N 3.05Å; S87-V90 WeakPolarHBondContact O-CB 3.48Å; S87-V90 PolarHBondContact O-N 3.06Å; S87-V90 WeakPolarHBondContact OG-CG2 2.99Å; S87-V90 PolarHBondContact OG-N 3.49Å; S87-K91 PolarHBondContact O-N 3.46Å; S87-K91 VanDerWaalsContact O-N 3.13Å |
| 88 | P | 83.5 | Confident | 76.7 | Confident | 108 Ų | 108 | 109.3 Ų | 109.3 | 70% | 0.701 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -51.2 | -34.1 | -179.3 | -28.3 | 34.7 | 0 | 0 | 0 | 113.7 | K91 Q92 | P88-K91 PolarHBondContact O-N 3.41Å; P88-Q92 PolarHBondContact O-N 3.12Å |
| 89 | L | 85.4 | Confident | 76.2 | Confident | 123 Ų | 123 | 105.7 Ų | 105.7 | 64% | 0.644 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.3 | -40.7 | 175.5 | -72.5 | 171 | 0 | 0 | 0 | 113.1 | S87 K91 Q92 L93 | S87-L89 PolarHBondContact O-N 3.05Å; L89-K91 VanDerWaalsContact C-N 3.35Å; L89-Q92 PolarHBondContact O-N 3.46Å; L89-L93 WeakPolarHBondContact O-CB 3.39Å; L89-L93 VanDerWaalsContact O-CG 3.27Å; L89-L93 WeakPolarHBondContact O-CG 3.3Å; L89-L93 PolarHBondContact O-N 2.86Å |
| 90 | V | 86.9 | Confident | 75.7 | Confident | 70 Ų | 70 | 103.4 Ų | 103.4 | 42% | 0.424 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66 | -41.2 | 177.2 | 173 | 0 | 0 | 0 | 0 | 110.1 | P86 S87 L93 S94 | P86-V90 HydrophobicContact CB-CB 4.15Å; P86-V90 HydrophobicContact CB-CG1 3.93Å; S87-V90 WeakPolarHBondContact O-CB 3.48Å; S87-V90 PolarHBondContact O-N 3.06Å; S87-V90 WeakPolarHBondContact OG-CG2 2.99Å; S87-V90 PolarHBondContact OG-N 3.49Å; V90-L93 PolarHBondContact O-N 2.92Å; V90-S94 WeakPolarHBondContact O-CB 3.19Å; V90-S94 PolarHBondContact O-N 3.39Å; V90-S94 PolarHBondContact O-OG 2.91Å; V90-S94 VanDerWaalsContact O-OG 3.13Å |
| 91 | K | 86.3 | Confident | 75.3 | Confident | 118 Ų | 118 | 104.8 Ų | 104.8 | 51% | 0.513 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.4 | -47.4 | 174.7 | -65.6 | -176.1 | 178.9 | -176.6 | 0 | 112.2 | P86 S87 P88 L89 L93 S94 E95 | P86-K91 HydrophobicContact CB-CG 4.07Å; P86-K91 HydrophobicContact CG-CD 4.37Å; P86-K91 HydrophobicContact CG-CG 3.82Å; P86-K91 WeakPolarHBondContact O-CE 3.27Å; S87-K91 PolarHBondContact O-N 3.46Å; S87-K91 VanDerWaalsContact O-N 3.13Å; P88-K91 PolarHBondContact O-N 3.41Å; L89-K91 VanDerWaalsContact C-N 3.35Å; K91-L93 VanDerWaalsContact C-N 3.32Å; K91-L93 PolarHBondContact O-N 2.95Å; K91-S94 PolarHBondContact O-N 2.87Å; K91-E95 WeakPolarHBondContact O-CB 3.38Å; K91-E95 PolarHBondContact O-N 3.06Å |
| 92 | Q | 88.3 | Confident | 75 | Confident | 124 Ų | 124 | 104.2 Ų | 104.2 | 58% | 0.579 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.5 | -39 | 180 | -171.6 | -177.2 | -32.7 | 0 | 0 | 111.8 | P88 L89 V96 | P88-Q92 PolarHBondContact O-N 3.12Å; L89-Q92 PolarHBondContact O-N 3.46Å; Q92-V96 WeakPolarHBondContact O-CG2 3.31Å; Q92-V96 PolarHBondContact O-N 3.14Å; Q92-V96 VanDerWaalsContact O-N 3.13Å |
| 93 | L | 87.7 | Confident | 74.6 | Confident | 100 Ų | 100 | 108 Ų | 108 | 52% | 0.524 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.1 | -44.1 | 175.9 | -69.1 | 172.7 | 0 | 0 | 0 | 111.4 | L89 V90 K91 E95 V96 F97 | L89-L93 WeakPolarHBondContact O-CB 3.39Å; L89-L93 VanDerWaalsContact O-CG 3.27Å; L89-L93 WeakPolarHBondContact O-CG 3.3Å; L89-L93 PolarHBondContact O-N 2.86Å; V90-L93 PolarHBondContact O-N 2.92Å; K91-L93 VanDerWaalsContact C-N 3.32Å; K91-L93 PolarHBondContact O-N 2.95Å; L93-E95 VanDerWaalsContact C-N 3.33Å; L93-E95 PolarHBondContact O-N 2.9Å; L93-V96 PolarHBondContact O-N 2.85Å; L93-F97 HydrophobicContact CB-CE2 4.34Å; L93-F97 WeakPolarHBondContact O-CD2 3.26Å; L93-F97 PolarHBondContact O-N 3.04Å |
| 94 | S | 85 | Confident | 73.7 | Confident | 50 Ų | 50 | 109.3 Ų | 109.3 | 35% | 0.35 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -56.9 | -45.5 | 174.6 | -70.4 | 0 | 0 | 0 | 0 | 111.9 | V90 K91 V96 F97 E98 | V90-S94 WeakPolarHBondContact O-CB 3.19Å; V90-S94 PolarHBondContact O-N 3.39Å; V90-S94 PolarHBondContact O-OG 2.91Å; V90-S94 VanDerWaalsContact O-OG 3.13Å; K91-S94 PolarHBondContact O-N 2.87Å; S94-V96 VanDerWaalsContact C-N 3.34Å; S94-V96 PolarHBondContact O-N 3.31Å; S94-F97 PolarHBondContact O-N 2.79Å; S94-E98 WeakPolarHBondContact O-CB 3.43Å; S94-E98 VanDerWaalsContact O-CG 3.25Å; S94-E98 WeakPolarHBondContact O-CG 3.49Å; S94-E98 PolarHBondContact O-N 2.97Å |
| 95 | E | 84.8 | Confident | 72.7 | Confident | 126 Ų | 126 | 110 Ų | 110 | 59% | 0.589 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.5 | -39.8 | 176.9 | -176.1 | 177.9 | 179.9 | 0 | 0 | 112.5 | K91 L93 F97 T99 | K91-E95 WeakPolarHBondContact O-CB 3.38Å; K91-E95 PolarHBondContact O-N 3.06Å; L93-E95 VanDerWaalsContact C-N 3.33Å; L93-E95 PolarHBondContact O-N 2.9Å; E95-F97 VanDerWaalsContact C-N 3.33Å; E95-F97 PolarHBondContact O-N 3.15Å; E95-T99 WeakPolarHBondContact O-CB 3.37Å; E95-T99 VanDerWaalsContact O-CG2 3.27Å; E95-T99 WeakPolarHBondContact O-CG2 3.39Å; E95-T99 PolarHBondContact O-N 3.33Å; E95-T99 VanDerWaalsContact O-N 3.11Å; E95-T99 PolarHBondContact O-OG1 3.14Å |
| 96 | V | 81 | Confident | 71.4 | Confident | 83 Ų | 83 | 113 Ų | 113 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.2 | -34.3 | 177 | 170.3 | 0 | 0 | 0 | 0 | 112 | Q92 L93 S94 T99 | Q92-V96 WeakPolarHBondContact O-CG2 3.31Å; Q92-V96 PolarHBondContact O-N 3.14Å; Q92-V96 VanDerWaalsContact O-N 3.13Å; L93-V96 PolarHBondContact O-N 2.85Å; S94-V96 VanDerWaalsContact C-N 3.34Å; S94-V96 PolarHBondContact O-N 3.31Å; V96-T99 PolarHBondContact O-OG1 2.98Å; V96-T99 VanDerWaalsContact O-OG1 3.12Å |
| 97 | F | 77.9 | Confident | 69.9 | Low | 136 Ų | 136 | 115.2 Ų | 115.2 | 60% | 0.596 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -83.3 | -36.9 | 177.5 | -68.2 | -64.5 | 0 | 0 | 0 | 112.8 | L93 S94 E95 T99 E100 | L93-F97 HydrophobicContact CB-CE2 4.34Å; L93-F97 WeakPolarHBondContact O-CD2 3.26Å; L93-F97 PolarHBondContact O-N 3.04Å; S94-F97 PolarHBondContact O-N 2.79Å; E95-F97 VanDerWaalsContact C-N 3.33Å; E95-F97 PolarHBondContact O-N 3.15Å; F97-T99 VanDerWaalsContact C-N 3.26Å; F97-T99 PolarHBondContact O-N 3.48Å; F97-E100 PolarHBondContact O-N 3.11Å |
| 98 | E | 71.4 | Confident | 68.2 | Low | 125 Ų | 125 | 118.4 Ų | 118.4 | 58% | 0.584 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.3 | -26.6 | 176.9 | -73.5 | 170.7 | -165.5 | 0 | 0 | 112.8 | S94 S102 | S94-E98 WeakPolarHBondContact O-CB 3.43Å; S94-E98 VanDerWaalsContact O-CG 3.25Å; S94-E98 WeakPolarHBondContact O-CG 3.49Å; S94-E98 PolarHBondContact O-N 2.97Å; E98-S102 PolarHBondContact O-N 3.14Å; E98-S102 PolarHBondContact O-OG 2.9Å |
| 99 | T | 59.7 | Low | 66 | Low | 94 Ų | 94 | 122.1 Ų | 122.1 | 58% | 0.577 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -78.1 | -18.7 | 176.4 | 46 | 0 | 0 | 0 | 0 | 114.1 | E95 V96 F97 | E95-T99 WeakPolarHBondContact O-CB 3.37Å; E95-T99 VanDerWaalsContact O-CG2 3.27Å; E95-T99 WeakPolarHBondContact O-CG2 3.39Å; E95-T99 PolarHBondContact O-N 3.33Å; E95-T99 VanDerWaalsContact O-N 3.11Å; E95-T99 PolarHBondContact O-OG1 3.14Å; V96-T99 PolarHBondContact O-OG1 2.98Å; V96-T99 VanDerWaalsContact O-OG1 3.12Å; F97-T99 VanDerWaalsContact C-N 3.26Å; F97-T99 PolarHBondContact O-N 3.48Å |
| 100 | E | 59.6 | Low | 64 | Low | 161 Ų | 161 | 121.8 Ų | 121.8 | 75% | 0.752 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -81 | -37.7 | 172 | -101.2 | -124.8 | 117.9 | 0 | 0 | 112.1 | F97 S102 | F97-E100 PolarHBondContact O-N 3.11Å; E100-S102 PolarHBondContact O-N 3.13Å |
| 101 | D | 56.1 | Low | 62.4 | Low | 139 Ų | 139 | 124.9 Ų | 124.9 | 74% | 0.743 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -84.8 | -9.8 | -173.7 | -67.4 | -30.8 | 0 | 0 | 0 | 114.2 | | |
| 102 | S | 55.4 | Low | 59.9 | Low | 94 Ų | 94 | 127.1 Ų | 127.1 | 66% | 0.657 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 2.4 | -178.4 | -51.6 | 0 | 0 | 0 | 0 | 114.5 | E98 E100 S104 | E98-S102 PolarHBondContact O-N 3.14Å; E98-S102 PolarHBondContact O-OG 2.9Å; E100-S102 PolarHBondContact O-N 3.13Å; S102-S104 PolarHBondContact O-N 3.08Å |
| 103 | K | 51.4 | Low | 57.7 | Low | 183 Ų | 183 | 126.5 Ų | 126.5 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | | | trans | -89 | 41.8 | 178.3 | -157.1 | 88.5 | 179.9 | -174.4 | 0 | 112.4 | N105 | K103-N105 PolarHBondContact O-N 2.8Š|
| 104 | S | 45 | Very low | 55.6 | Low | 99 Ų | 99 | 127.7 Ų | 127.7 | 69% | 0.692 | 71% | 0.709 | S | S | * | * | | | trans | -87.2 | 92.6 | 162.6 | 62.9 | 0 | 0 | 0 | 0 | 109.7 | S102 L106 | S102-S104 PolarHBondContact O-N 3.08Å; S104-L106 PolarHBondContact O-N 3.06Å |
| 105 | N | 46.9 | Very low | 53.3 | Low | 151 Ų | 151 | 134.7 Ų | 134.7 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | | | trans | 8.4 | 103.8 | 153.1 | -58.5 | -79.5 | 0 | 0 | 0 | 117.8 | K103 | K103-N105 PolarHBondContact O-N 2.8Š|
| 106 | L | 47.6 | Very low | 51 | Low | 163 Ų | 163 | 133 Ų | 133 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | | | trans | -133.7 | 135.4 | 144 | -70.2 | 177 | 0 | 0 | 0 | 108.3 | S104 | S104-L106 PolarHBondContact O-N 3.06Š|
| 107 | P | 45 | Very low | 49.3 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | | | trans | -70.7 | 148.5 | 176.1 | 29.9 | -32.7 | 0 | 0 | 0 | 110.5 | E109 | P107-E109 PolarHBondContact O-N 3.01Š|
| 108 | P | 46.7 | Very low | 47.1 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | -73.5 | 111.1 | 169.3 | 28.3 | -28.9 | 0 | 0 | 0 | 109.1 | | |
| 109 | E | 38.4 | Very low | 45.3 | Very low | 185 Ų | 185 | 134.5 Ų | 134.5 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 126.3 | 171.4 | -168.9 | 173.5 | -180 | 0 | 0 | 109.8 | P107 | P107-E109 PolarHBondContact O-N 3.01Š|
| 110 | P | 43.3 | Very low | 44.2 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 132.3 | -178.6 | 30.2 | -32.6 | 0 | 0 | 0 | 112.7 | | |
| 111 | V | 51.7 | Low | 43.4 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 138.6 | 172 | 176.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 112 | L | 34.6 | Very low | 42.9 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -152.7 | 160.7 | 154.5 | -85.7 | -164.4 | 0 | 0 | 0 | 111.8 | | |
| 113 | P | 41.5 | Very low | 42.4 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | | | | -99.1 | 179 | -124.8 | 42.1 | -40.6 | 0 | 0 | 0 | 115.9 | | |
| 114 | P | 45 | Very low | 42.2 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | | | trans | -91 | 137 | -168.1 | 34.9 | -28.2 | 0 | 0 | 0 | 113.1 | | |
| 115 | E | 35.5 | Very low | 42.6 | Very low | 197 Ų | 197 | 138.9 Ų | 138.9 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | | | trans | -122.5 | 123.9 | 159.1 | -78.1 | -140.5 | 135.3 | 0 | 0 | 110 | | |
| 116 | A | 37.3 | Very low | 42 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | | | trans | -84.7 | -175.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 117 | P | 44.3 | Very low | 41.3 | Very low | 110 Ų | 110 | 135 Ų | 135 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | | | cis | -131.6 | 175.1 | -6.4 | 36.4 | -17.4 | 0 | 0 | 0 | 113.3 | | |
| 118 | L | 31.9 | Very low | 41.2 | Very low | 157 Ų | 157 | 135.9 Ų | 135.9 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | | 174.5 | 114.2 | 125.2 | -89.2 | 167.9 | 0 | 0 | 0 | 112.4 | | |
| 119 | S | 33.4 | Very low | 40.6 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | trans | 54.6 | 105.9 | 141.6 | 60.9 | 0 | 0 | 0 | 0 | 121 | | |
| 120 | S | 37.7 | Very low | 40.7 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | | -155.6 | 129.8 | 104.9 | 67.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 121 | E | 43.4 | Very low | 40.4 | Very low | 182 Ų | 182 | 138 Ų | 138 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | | | trans | -61.7 | 124.9 | 179.3 | 176.5 | -170.3 | 163 | 0 | 0 | 111.5 | | |
| 122 | L | 44.3 | Very low | 40.1 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | | | trans | -156.5 | 124.6 | 139 | -85.7 | -165.8 | 0 | 0 | 0 | 110.8 | | |
| 123 | D | 45.8 | Very low | 40.1 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | | | trans | -49.5 | 137.9 | -174.1 | -126.6 | 4.2 | 0 | 0 | 0 | 118.5 | | |
| 124 | L | 46.7 | Very low | 40.2 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | | | trans | 79.2 | 153.4 | 132.7 | -78.7 | 171.8 | 0 | 0 | 0 | 122.1 | | |
| 125 | P | 54 | Low | 39.7 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | | | | -135.6 | -178.1 | -106 | 44.6 | -28 | 0 | 0 | 0 | 116.2 | | |
| 126 | L | 34.3 | Very low | 39.6 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | | | trans | 84.5 | 97.8 | 138.7 | -155.3 | 67.8 | 0 | 0 | 0 | 118.1 | | |
| 127 | G | 32.2 | Very low | 40.8 | Very low | 63 Ų | 63 | 140.9 Ų | 140.9 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | | | | 115.5 | 139.5 | 118.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 128 | T | 42.3 | Very low | 40.4 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | cis | -167.8 | 129.3 | 28.8 | -69.5 | 0 | 0 | 0 | 0 | 106.1 | | |
| 129 | Q | 35.8 | Very low | 40.7 | Very low | 176 Ų | 176 | 145 Ų | 145 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | trans | 32.2 | 113.9 | 145.2 | -54.4 | -75.5 | 48.2 | 0 | 0 | 119.3 | | |
| 130 | L | 39.7 | Very low | 40.9 | Very low | 177 Ų | 177 | 145.6 Ų | 145.6 | 93% | 0.927 | 79% | 0.792 | S | S | * | * | | | trans | -65.7 | 132 | 146.4 | -62.7 | 167.5 | 0 | 0 | 0 | 109 | | |
| 131 | S | 37 | Very low | 40.9 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -151.2 | 119.1 | 151.4 | -165.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 132 | A | 45.9 | Very low | 40.4 | Very low | 87 Ų | 87 | 145.8 Ų | 145.8 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | | | trans | -68.7 | 146.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 133 | E | 33.3 | Very low | 40.3 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | trans | -168 | 106.3 | 140.5 | -163 | 80.2 | 133.1 | 0 | 0 | 110.1 | | |
| 134 | E | 43.6 | Very low | 39.9 | Very low | 168 Ų | 168 | 146.2 Ų | 146.2 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | 21.8 | 112.4 | 133.1 | -148 | 172.7 | 166.2 | 0 | 0 | 120.8 | | |
| 135 | Q | 34.8 | Very low | 39.7 | Very low | 193 Ų | 193 | 144.6 Ų | 144.6 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | | | | -174.7 | 145.1 | 127.3 | -107.9 | -171 | 60.9 | 0 | 0 | 112.3 | | |
| 136 | M | 33.1 | Very low | 38.9 | Very low | 171 Ų | 171 | 145 Ų | 145 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | | | trans | -98.8 | -178.3 | -171.7 | -112.5 | -60.6 | 128.6 | 0 | 0 | 112.2 | | |
| 137 | P | 63 | Low | 39.3 | Very low | 97 Ų | 97 | 146.2 Ų | 146.2 | 63% | 0.63 | 78% | 0.781 | S | S | * | * | | | | -100.4 | -172 | -124.8 | 43.9 | -34.4 | 0 | 0 | 0 | 115 | | |
| 138 | P | 36.4 | Very low | 39.3 | Very low | 103 Ų | 103 | 151.7 Ų | 151.7 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | | | | -147.8 | 127.8 | 100.8 | 34.9 | -16.8 | 0 | 0 | 0 | 115 | N140 | P138-N140 PolarHBondContact O-N 3.37Š|
| 139 | W | 39.1 | Very low | 38.7 | Very low | 252 Ų | 252 | 150.6 Ų | 150.6 | 96% | 0.955 | 78% | 0.783 | S | S | * | * | | | trans | -79 | 100.1 | 164.7 | -146.8 | -83.5 | 0 | 0 | 0 | 108.3 | | |
| 140 | N | 37.7 | Very low | 38.7 | Very low | 120 Ų | 120 | 152.3 Ų | 152.3 | 64% | 0.642 | 79% | 0.788 | S | S | * | * | | | trans | -119.1 | 112 | 175.8 | -75.8 | -38.7 | 0 | 0 | 0 | 110.6 | P138 | P138-N140 PolarHBondContact O-N 3.37Š|
| 141 | Q | 36.8 | Very low | 38.6 | Very low | 162 Ų | 162 | 149.4 Ų | 149.4 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | | | trans | 61.6 | 98.7 | 132.6 | -49.1 | -140.8 | 85.9 | 0 | 0 | 118.4 | | |
| 142 | T | 31.9 | Very low | 38.6 | Very low | 146 Ų | 146 | 152.5 Ų | 152.5 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | | | trans | -110.1 | 89.9 | 142.5 | -59.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 143 | E | 42.7 | Very low | 38 | Very low | 134 Ų | 134 | 157.8 Ų | 157.8 | 63% | 0.626 | 79% | 0.791 | S | S | * | * | | | trans | -64.2 | 136.9 | 152.5 | -156.8 | 169.6 | -144 | 0 | 0 | 107.2 | | |
| 144 | F | 37 | Very low | 37.9 | Very low | 189 Ų | 189 | 155.5 Ų | 155.5 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | | | | -176.2 | 149.5 | 120.1 | -85.3 | -58.4 | 0 | 0 | 0 | 111.8 | | |
| 145 | P | 44.2 | Very low | 37.7 | Very low | 107 Ų | 107 | 152.1 Ų | 152.1 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | | | trans | -101.6 | 168 | -160.2 | 41 | -37.3 | 0 | 0 | 0 | 112.7 | | |
| 146 | S | 37 | Very low | 37.7 | Very low | 111 Ų | 111 | 152.5 Ų | 152.5 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | 167.7 | 108.3 | 138.5 | 41.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 147 | K | 40.8 | Very low | 37.8 | Very low | 194 Ų | 194 | 152.6 Ų | 152.6 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | | 62.8 | 133.3 | 100.8 | -70.8 | -160.4 | 178.5 | -173.8 | 0 | 115.3 | | |
| 148 | Q | 34 | Very low | 37 | Very low | 179 Ų | 179 | 152.8 Ų | 152.8 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | | | trans | 76.2 | 131.5 | 155.3 | -106.9 | 173.1 | -74.7 | 0 | 0 | 114.2 | | |
| 149 | V | 29.3 | Very low | 36.6 | Very low | 111 Ų | 111 | 153.5 Ų | 153.5 | 67% | 0.673 | 78% | 0.776 | S | S | * | * | | | cis | -156.4 | 130.1 | 37 | 174 | 0 | 0 | 0 | 0 | 108.2 | | |
| 150 | F | 34.9 | Very low | 36.3 | Very low | 212 Ų | 212 | 150.3 Ų | 150.3 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | | | trans | -77.6 | 112.6 | 156 | -87.8 | -89.2 | 0 | 0 | 0 | 107.4 | K152 | F150-K152 PolarHBondContact O-N 3.07Š|
| 151 | S | 37.8 | Very low | 36.1 | Very low | 116 Ų | 116 | 150.9 Ų | 150.9 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | | | trans | -76.3 | 105 | 171.5 | 48.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 152 | K | 36.7 | Very low | 36.6 | Very low | 184 Ų | 184 | 149 Ų | 149 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71 | 116.6 | 161.7 | 177.6 | 178.9 | 178.6 | -178.3 | 0 | 107.8 | F150 E154 | F150-K152 PolarHBondContact O-N 3.07Å; K152-E154 PolarHBondContact O-N 2.9Å |
| 153 | E | 33.7 | Very low | 36.6 | Very low | 198 Ų | 198 | 146.4 Ų | 146.4 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 117.3 | 170.1 | -171.3 | 166.5 | 168.7 | 0 | 0 | 108.9 | | |
| 154 | E | 31.7 | Very low | 36 | Very low | 119 Ų | 119 | 145 Ų | 145 | 56% | 0.556 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 116.6 | -176 | 178.2 | 168.9 | 119.5 | 0 | 0 | 109.2 | K152 R156 | K152-E154 PolarHBondContact O-N 2.9Å; E154-R156 HydrophobicContact CG-CG 4.3Å; E154-R156 IonicContact OE1-CZ 3.28Å; E154-R156 VanDerWaalsContact OE1-CZ 3.28Å; E154-R156 IonicContact OE1-NE 2.79Å; E154-R156 PolarHBondContact OE1-NE 3.32Å; E154-R156 IonicContact OE1-NH2 2.87Å; E154-R156 PolarHBondContact OE1-NH2 3.5Å |
| 155 | A | 38.5 | Very low | 36 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -76 | 133.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 156 | R | 36.1 | Very low | 35.8 | Very low | 202 Ų | 202 | 145.5 Ų | 145.5 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -122.6 | 107.8 | 165.9 | -69 | -169.3 | 175.3 | -155 | -1.7 | 108.4 | E154 | E154-R156 HydrophobicContact CG-CG 4.3Å; E154-R156 IonicContact OE1-CZ 3.28Å; E154-R156 VanDerWaalsContact OE1-CZ 3.28Å; E154-R156 IonicContact OE1-NE 2.79Å; E154-R156 PolarHBondContact OE1-NE 3.32Å; E154-R156 IonicContact OE1-NH2 2.87Å; E154-R156 PolarHBondContact OE1-NH2 3.5Å |
| 157 | Q | 33.9 | Very low | 35.9 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | | | | 87.8 | 162.2 | 91.4 | -71 | -95.5 | -16.6 | 0 | 0 | 112.5 | | |
| 158 | P | 46.3 | Very low | 35.9 | Very low | 101 Ų | 101 | 140.8 Ų | 140.8 | 66% | 0.656 | 79% | 0.785 | S | S | * | * | | | cis | -127.3 | -176.1 | -32.2 | 31.7 | -12.2 | 0 | 0 | 0 | 111.4 | | |
| 159 | T | 28.8 | Very low | 36.1 | Very low | 117 Ų | 117 | 139 Ų | 139 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | | | trans | 169.4 | 113 | 132.5 | -68.7 | 0 | 0 | 0 | 0 | 112 | | |
| 160 | E | 32.5 | Very low | 37.2 | Very low | 186 Ų | 186 | 143.4 Ų | 143.4 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | | | trans | 65.9 | 124.5 | 146 | -64.4 | 174.1 | 169.4 | 0 | 0 | 123.7 | | |
| 161 | T | 32.4 | Very low | 37.9 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | trans | -95.6 | 166.1 | 165.4 | -14 | 0 | 0 | 0 | 0 | 108.7 | | |
| 162 | P | 48.5 | Very low | 38.1 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | | -149 | 160.1 | 70.2 | 36 | -14.3 | 0 | 0 | 0 | 118.2 | | |
| 163 | A | 31 | Very low | 38.1 | Very low | 93 Ų | 93 | 142 Ų | 142 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | trans | 71.5 | 103 | 144.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 164 | A | 30.1 | Very low | 38.4 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | | -155.9 | 119.7 | 115.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 165 | S | 37.6 | Very low | 39.6 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -71.9 | 135.1 | 176.3 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 166 | Q | 40.3 | Very low | 39.5 | Very low | 193 Ų | 193 | 143.7 Ų | 143.7 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | trans | -167.1 | 122.4 | 133.5 | -103.6 | 168 | 0.9 | 0 | 0 | 111.9 | | |
| 167 | S | 38.7 | Very low | 39.8 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | trans | -68.5 | 149.1 | 178.3 | 49.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 168 | S | 40.3 | Very low | 40.7 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | | | | 173.2 | 126.5 | 108.3 | -124.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 169 | D | 38.9 | Very low | 40.5 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | | | trans | 51.4 | 112.2 | 141.7 | -61.5 | -57.7 | 0 | 0 | 0 | 122.2 | | |
| 170 | K | 52.1 | Low | 41.2 | Very low | 202 Ų | 202 | 143.9 Ų | 143.9 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | | | trans | -115.2 | 151.2 | 138.1 | -63.7 | -164 | 177.7 | -173.8 | 0 | 109 | | |
| 171 | P | 49.9 | Very low | 42.1 | Very low | 113 Ų | 113 | 141 Ų | 141 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | | | trans | -120.4 | 117.3 | 135.6 | 32.5 | -23.6 | 0 | 0 | 0 | 109.1 | | |
| 172 | S | 40.8 | Very low | 42.5 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | | | | 54.2 | 96.5 | 85.7 | 75.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 173 | R | 38.5 | Very low | 42.6 | Very low | 257 Ų | 257 | 136.2 Ų | 136.2 | 97% | 0.97 | 79% | 0.793 | S | S | * | * | | | trans | -149.4 | 134.6 | 142.6 | -127 | -166.6 | -174 | -152.4 | 3.2 | 110.5 | | |
| 174 | D | 39.8 | Very low | 43.6 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | | | trans | -70.3 | 170 | -162.8 | -119.8 | -6.4 | 0 | 0 | 0 | 115.9 | | |
| 175 | P | 55.4 | Low | 44.4 | Very low | 104 Ų | 104 | 145 Ų | 145 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | | | trans | -95.5 | 130.4 | -174.9 | 36.6 | -29.4 | 0 | 0 | 0 | 112.2 | | |
| 176 | E | 36.8 | Very low | 45.3 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | | | trans | -171.8 | 112.5 | 157.1 | -118.9 | 174.7 | 166.1 | 0 | 0 | 110.4 | | |
| 177 | T | 43.6 | Very low | 46.1 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | | -177.9 | 129.2 | 116.4 | -45.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 178 | P | 51.6 | Low | 46.9 | Very low | 104 Ų | 104 | 154.7 Ų | 154.7 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | | | trans | -92.9 | 159.1 | -179.8 | 37.9 | -33.4 | 0 | 0 | 0 | 111.9 | | |
| 179 | R | 41.8 | Very low | 48 | Very low | 239 Ų | 239 | 158.4 Ų | 158.4 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | | | trans | 84.8 | 112.9 | 162 | -55.5 | 177.8 | 161.1 | -150.5 | -6.2 | 117.9 | | |
| 180 | S | 43.9 | Very low | 48.6 | Very low | 119 Ų | 119 | 157.6 Ų | 157.6 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | | | | -136.4 | 105.6 | 116.9 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | G182 | S180-G182 PolarHBondContact O-N 2.95Š|
| 181 | S | 51.7 | Low | 48.7 | Very low | 125 Ų | 125 | 154.7 Ų | 154.7 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | -69.3 | 112.7 | 158.8 | 166.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 182 | G | 41.1 | Very low | 49.1 | Very low | 53 Ų | 53 | 155.1 Ų | 155.1 | 55% | 0.546 | 80% | 0.804 | S | S | . | * | | | trans | -168.5 | 78.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S180 M184 | S180-G182 PolarHBondContact O-N 2.95Å; G182-M184 VanDerWaalsContact C-N 3.28Å; G182-M184 PolarHBondContact O-N 3.18Å |
| 183 | S | 50.5 | Low | 49.7 | Very low | 101 Ų | 101 | 154.2 Ų | 154.2 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | -55 | 94.6 | 161.2 | 160.2 | 0 | 0 | 0 | 0 | 108.7 | R185 | S183-R185 VanDerWaalsContact C-N 3.32Å; S183-R185 PolarHBondContact O-N 3.35Å |
| 184 | M | 51.5 | Low | 50.8 | Low | 162 Ų | 162 | 151.7 Ų | 151.7 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | | | trans | -66 | 93.9 | 170.1 | -76.2 | -80.9 | -71 | 0 | 0 | 108.1 | G182 N186 | G182-M184 VanDerWaalsContact C-N 3.28Å; G182-M184 PolarHBondContact O-N 3.18Å; M184-N186 PolarHBondContact O-N 3.04Å |
| 185 | R | 47.9 | Very low | 51.7 | Low | 219 Ų | 219 | 150.3 Ų | 150.3 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | trans | -69.5 | 102.2 | 166.4 | -32.1 | -174.6 | -146.5 | -107.5 | 4.2 | 105.4 | S183 R187 | S183-R185 VanDerWaalsContact C-N 3.32Å; S183-R185 PolarHBondContact O-N 3.35Å; R185-R187 PolarHBondContact O-N 3Å |
| 186 | N | 56 | Low | 51.7 | Low | 136 Ų | 136 | 153.5 Ų | 153.5 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -59.3 | 106.3 | 169.1 | -69.1 | -26.2 | 0 | 0 | 0 | 106.9 | M184 W188 | M184-N186 PolarHBondContact O-N 3.04Å; N186-W188 PolarHBondContact O-N 2.82Å |
| 187 | R | 57.7 | Low | 52.5 | Low | 237 Ų | 237 | 147.4 Ų | 147.4 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | | | trans | -71.7 | 83.2 | 174.9 | -150.1 | -166 | -48.4 | -112.9 | 4.2 | 106.7 | R185 K189 | R185-R187 PolarHBondContact O-N 3Å; R187-K189 PolarHBondContact O-N 2.92Å; R187-K189 VanDerWaalsContact O-N 3.14Å |
| 188 | W | 55.3 | Low | 53.5 | Low | 244 Ų | 244 | 149.9 Ų | 149.9 | 92% | 0.924 | 78% | 0.782 | S | S | * | * | | | trans | -63.6 | 114.4 | 169.2 | -99.6 | -26.7 | 0 | 0 | 0 | 107.9 | N186 | N186-W188 PolarHBondContact O-N 2.82Š|
| 189 | K | 62.1 | Low | 54.1 | Low | 176 Ų | 176 | 147.7 Ų | 147.7 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | | | trans | -66.3 | 129 | 165.2 | -69.9 | 175.8 | 171.8 | -179.6 | 0 | 107.2 | R187 N191 | R187-K189 PolarHBondContact O-N 2.92Å; R187-K189 VanDerWaalsContact O-N 3.14Å; K189-N191 PolarHBondContact O-N 2.85Å; K189-N191 VanDerWaalsContact O-N 3.14Å; K189-N191 PolarHBondContact O-OD1 3.3Å |
| 190 | P | 51.8 | Low | 55.2 | Low | 126 Ų | 126 | 141.4 Ų | 141.4 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | -70.8 | 112.2 | 169 | 27.5 | -29.6 | 0 | 0 | 0 | 107.7 | S192 | P190-S192 PolarHBondContact O-N 3.33Š|
| 191 | N | 55.5 | Low | 55.8 | Low | 142 Ų | 142 | 142.3 Ų | 142.3 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | | | trans | -66.1 | 103.1 | 165.8 | -54 | -16.5 | 0 | 0 | 0 | 105.8 | K189 S193 | K189-N191 PolarHBondContact O-N 2.85Å; K189-N191 VanDerWaalsContact O-N 3.14Å; K189-N191 PolarHBondContact O-OD1 3.3Å; N191-S193 PolarHBondContact O-N 2.91Å |
| 192 | S | 57.3 | Low | 56.1 | Low | 122 Ų | 122 | 138.7 Ų | 138.7 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | | | trans | -62.5 | 83.3 | 166.4 | 173.7 | 0 | 0 | 0 | 0 | 108.7 | P190 | P190-S192 PolarHBondContact O-N 3.33Š|
| 193 | S | 54.3 | Low | 56.9 | Low | 93 Ų | 93 | 141.7 Ų | 141.7 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | | | trans | -124.6 | 87.7 | 165.2 | 64.7 | 0 | 0 | 0 | 0 | 107.9 | N191 V195 | N191-S193 PolarHBondContact O-N 2.91Å; S193-V195 PolarHBondContact O-N 2.69Å |
| 194 | K | 61.3 | Low | 57.1 | Low | 203 Ų | 203 | 144.4 Ų | 144.4 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | | | trans | 0.7 | 82.6 | 158 | -55.1 | -170.8 | -178.7 | -175.6 | 0 | 115.1 | | |
| 195 | V | 59.6 | Low | 57.4 | Low | 131 Ų | 131 | 144.4 Ų | 144.4 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | | | trans | -128 | 88.7 | 147.5 | -177.2 | 0 | 0 | 0 | 0 | 104.3 | S193 G197 | S193-V195 PolarHBondContact O-N 2.69Å; V195-G197 VanDerWaalsContact C-N 3.26Å; V195-G197 PolarHBondContact O-N 2.92Å |
| 196 | L | 54.3 | Low | 58 | Low | 172 Ų | 172 | 138.9 Ų | 138.9 | 90% | 0.901 | 72% | 0.72 | S | S | * | * | | | trans | -61.7 | 96.2 | 172.1 | -175.6 | 62.9 | 0 | 0 | 0 | 106.2 | R198 | L196-R198 PolarHBondContact O-N 3.49Š|
| 197 | G | 54.7 | Low | 58.2 | Low | 58 Ų | 58 | 139.2 Ų | 139.2 | 60% | 0.598 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 127.4 | 179 | 0 | 0 | 0 | 0 | 0 | 109.2 | V195 S199 | V195-G197 VanDerWaalsContact C-N 3.26Å; V195-G197 PolarHBondContact O-N 2.92Å; G197-S199 PolarHBondContact O-N 3.49Å |
| 198 | R | 63.8 | Low | 58.1 | Low | 186 Ų | 186 | 135.9 Ų | 135.9 | 70% | 0.702 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -60 | 129.1 | 171.7 | -58.8 | 175.8 | 96.2 | -159.4 | 2.7 | 106.8 | L196 | L196-R198 PolarHBondContact O-N 3.49Š|
| 199 | S | 64.6 | Low | 58.1 | Low | 58 Ų | 58 | 128.4 Ų | 128.4 | 41% | 0.406 | 71% | 0.707 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 139 | 175.6 | 159.3 | 0 | 0 | 0 | 0 | 109.7 | G197 L201 T202 | G197-S199 PolarHBondContact O-N 3.49Å; S199-L201 PolarHBondContact O-N 2.94Å; S199-L201 PolarHBondContact OG-N 2.84Å; S199-T202 PolarHBondContact O-N 2.88Å; S199-T202 PolarHBondContact O-OG1 3.3Å |
| 200 | P | 63.6 | Low | 57.8 | Low | 107 Ų | 107 | 126.7 Ų | 126.7 | 70% | 0.695 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -58.7 | -17.4 | 179.9 | 22.2 | -32 | 0 | 0 | 0 | 113.6 | | |
| 201 | L | 57.6 | Low | 58 | Low | 137 Ų | 137 | 123.4 Ų | 123.4 | 72% | 0.717 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -83.5 | -14.3 | 176.6 | -61.9 | 173.9 | 0 | 0 | 0 | 113.6 | S199 I203 | S199-L201 PolarHBondContact O-N 2.94Å; S199-L201 PolarHBondContact OG-N 2.84Å; L201-I203 VanDerWaalsContact C-N 3.27Å; L201-I203 PolarHBondContact O-N 3.2Å |
| 202 | T | 57.3 | Low | 57.7 | Low | 50 Ų | 50 | 123.1 Ų | 123.1 | 31% | 0.307 | 71% | 0.706 | S | S | . | * | G | 310 helix | trans | -78.8 | -12.3 | 176.8 | 60.1 | 0 | 0 | 0 | 0 | 113.2 | S199 L204 | S199-T202 PolarHBondContact O-N 2.88Å; S199-T202 PolarHBondContact O-OG1 3.3Å; T202-L204 PolarHBondContact O-N 3.06Å |
| 203 | I | 58.5 | Low | 57.5 | Low | 115 Ų | 115 | 125.7 Ų | 125.7 | 59% | 0.59 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -76.9 | -15.7 | 176.9 | -56.5 | 168.2 | 0 | 0 | 0 | 111 | L201 | L201-I203 VanDerWaalsContact C-N 3.27Å; L201-I203 PolarHBondContact O-N 3.2Å |
| 204 | L | 55.4 | Low | 57.3 | Low | 158 Ų | 158 | 126.7 Ų | 126.7 | 83% | 0.827 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -92.9 | -0.1 | 179.1 | -163.1 | 61.4 | 0 | 0 | 0 | 113.4 | T202 | T202-L204 PolarHBondContact O-N 3.06Š|
| 205 | Q | 56.8 | Low | 57 | Low | 162 Ų | 162 | 124.1 Ų | 124.1 | 76% | 0.757 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -99.2 | 2.4 | 173.6 | -69 | -167.7 | -41.3 | 0 | 0 | 113.1 | D207 | Q205-D207 PolarHBondContact O-N 3.41Š|
| 206 | D | 60.7 | Low | 56.6 | Low | 104 Ų | 104 | 128.4 Ų | 128.4 | 56% | 0.556 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -75.8 | 82.6 | 170.7 | -67.4 | -26.7 | 0 | 0 | 0 | 107.7 | N208 | D206-N208 PolarHBondContact O-N 3.29Š|
| 207 | D | 60.6 | Low | 57 | Low | 142 Ų | 142 | 129 Ų | 129 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | | | trans | -43.4 | 121.2 | 172.3 | -145.5 | -18.2 | 0 | 0 | 0 | 109.7 | Q205 S209 | Q205-D207 PolarHBondContact O-N 3.41Å; D207-S209 PolarHBondContact O-N 3.31Å |
| 208 | N | 55.7 | Low | 57.2 | Low | 168 Ų | 168 | 129.4 Ų | 129.4 | 90% | 0.898 | 71% | 0.711 | S | S | * | * | | | trans | -70.1 | 60.3 | -179.7 | -95.1 | -51.6 | 0 | 0 | 0 | 111.4 | D206 | D206-N208 PolarHBondContact O-N 3.29Š|
| 209 | S | 54.5 | Low | 57 | Low | 86 Ų | 86 | 130.2 Ų | 130.2 | 60% | 0.601 | 72% | 0.72 | S | S | * | * | | | trans | -106.2 | 121.4 | 173.6 | -72.9 | 0 | 0 | 0 | 0 | 110 | D207 G211 | D207-S209 PolarHBondContact O-N 3.31Å; S209-G211 VanDerWaalsContact C-N 3.28Å; S209-G211 PolarHBondContact O-N 2.76Å |
| 210 | P | 55.7 | Low | 56.7 | Low | 141 Ų | 141 | 139 Ų | 139 | 92% | 0.916 | 74% | 0.744 | S | S | * | * | | | trans | -77.2 | 83.4 | 174.6 | 32.7 | -31.3 | 0 | 0 | 0 | 108.2 | | |
| 211 | G | 56.9 | Low | 56.2 | Low | 56 Ų | 56 | 139.6 Ų | 139.6 | 58% | 0.577 | 75% | 0.748 | S | S | * | * | | | trans | -174.3 | 75.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S209 | S209-G211 VanDerWaalsContact C-N 3.28Å; S209-G211 PolarHBondContact O-N 2.76Å |
| 212 | T | 48.7 | Very low | 56.1 | Low | 136 Ų | 136 | 138.4 Ų | 138.4 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | | | | 162.1 | 105.1 | 127.8 | 33.1 | 0 | 0 | 0 | 0 | 109.3 | T214 | T212-T214 PolarHBondContact O-N 2.83Š|
| 213 | L | 52.3 | Low | 55.8 | Low | 177 Ų | 177 | 142.1 Ų | 142.1 | 93% | 0.927 | 78% | 0.775 | S | S | * | * | | | trans | -59.2 | 102.8 | 166.8 | -66.7 | 170.1 | 0 | 0 | 0 | 108.2 | L215 | L213-L215 PolarHBondContact O-N 2.9Š|
| 214 | T | 50.6 | Low | 55.7 | Low | 113 Ų | 113 | 144.6 Ų | 144.6 | 69% | 0.693 | 79% | 0.789 | S | S | * | * | | | trans | -63.7 | 105.1 | 165 | 58.6 | 0 | 0 | 0 | 0 | 107.1 | T212 R216 | T212-T214 PolarHBondContact O-N 2.83Å; T214-R216 VanDerWaalsContact C-N 3.27Å; T214-R216 PolarHBondContact O-N 2.95Å |
| 215 | L | 54.3 | Low | 55.7 | Low | 149 Ų | 149 | 141.3 Ų | 141.3 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | | | trans | -61.3 | 88.9 | 171.5 | -179.3 | 70.9 | 0 | 0 | 0 | 108.5 | L213 Q217 | L213-L215 PolarHBondContact O-N 2.9Å; L215-Q217 PolarHBondContact O-N 3.42Å |
| 216 | R | 52.6 | Low | 55.5 | Low | 221 Ų | 221 | 141.6 Ų | 141.6 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | | | trans | -70.6 | 110.6 | 165.1 | -71.8 | -173.3 | 173.7 | -82.2 | -1.8 | 106.8 | T214 G218 | T214-R216 VanDerWaalsContact C-N 3.27Å; T214-R216 PolarHBondContact O-N 2.95Å; R216-G218 PolarHBondContact O-N 3.35Å |
| 217 | Q | 61.8 | Low | 55.1 | Low | 184 Ų | 184 | 144 Ų | 144 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -57.8 | 126.8 | -177.8 | -63 | -149.3 | -17.6 | 0 | 0 | 111.5 | L215 | L215-Q217 PolarHBondContact O-N 3.42Š|
| 218 | G | 59.1 | Low | 54.5 | Low | 67 Ų | 67 | 142 Ų | 142 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | | | trans | 177.3 | 87.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R216 | R216-G218 PolarHBondContact O-N 3.35Š|
| 219 | K | 59.9 | Low | 54.5 | Low | 204 Ų | 204 | 139.6 Ų | 139.6 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 95 | 120.3 | 175.6 | -52.3 | -165.5 | 178.2 | -170.9 | 0 | 115.5 | P221 | K219-P221 WeakPolarHBondContact O-CD 3.48Š|
| 220 | R | 57.7 | Low | 53.9 | Low | 243 Ų | 243 | 144.2 Ų | 144.2 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 125.7 | 170.3 | -90.2 | 177.8 | 167.4 | 154.2 | -4.3 | 110.1 | | |
| 221 | P | 54.5 | Low | 53.6 | Low | 119 Ų | 119 | 145.8 Ų | 145.8 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 128.1 | 152.5 | 30 | -27.3 | 0 | 0 | 0 | 108.4 | K219 | K219-P221 WeakPolarHBondContact O-CD 3.48Š|
| 222 | S | 53.7 | Low | 53 | Low | 111 Ų | 111 | 151.2 Ų | 151.2 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -56 | 132.3 | 166.3 | -53.1 | 0 | 0 | 0 | 0 | 109.3 | L224 | S222-L224 PolarHBondContact O-N 3.18Å; S222-L224 VanDerWaalsContact O-N 3.08Å |
| 223 | P | 52.7 | Low | 52.7 | Low | 128 Ų | 128 | 152.9 Ų | 152.9 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | | | trans | -72.3 | 106.8 | 171.7 | 28.1 | -29.7 | 0 | 0 | 0 | 108.4 | S225 | P223-S225 PolarHBondContact O-N 2.94Š|
| 224 | L | 54.5 | Low | 52.2 | Low | 167 Ų | 167 | 147.8 Ų | 147.8 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | -66.1 | 107.2 | 159.4 | -179.4 | 65.6 | 0 | 0 | 0 | 106 | S222 E226 | S222-L224 PolarHBondContact O-N 3.18Å; S222-L224 VanDerWaalsContact O-N 3.08Å; L224-E226 PolarHBondContact O-N 3.06Å |
| 225 | S | 55.8 | Low | 51.6 | Low | 90 Ų | 90 | 147.1 Ų | 147.1 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | | | trans | -62.9 | 105.8 | 178.9 | 54.7 | 0 | 0 | 0 | 0 | 109.7 | P223 N227 | P223-S225 PolarHBondContact O-N 2.94Å; S225-N227 PolarHBondContact O-N 2.85Å |
| 226 | E | 53.5 | Low | 51.3 | Low | 167 Ų | 167 | 148 Ų | 148 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | | | trans | -72.4 | 116.2 | 166 | 175.4 | 172.3 | 170.4 | 0 | 0 | 108.3 | L224 V228 | L224-E226 PolarHBondContact O-N 3.06Å; E226-V228 HydrophobicContact CG-CG2 3.86Å; E226-V228 PolarHBondContact O-N 3.18Å; E226-V228 VanDerWaalsContact O-N 3.15Å; E226-V228 WeakPolarHBondContact OE1-CG2 3.46Å |
| 227 | N | 52.3 | Low | 51.2 | Low | 154 Ų | 154 | 145.8 Ų | 145.8 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | | | trans | -76.4 | 94.8 | 172.8 | -47.8 | -60.3 | 0 | 0 | 0 | 107.8 | S225 | S225-N227 PolarHBondContact O-N 2.85Š|
| 228 | V | 47.2 | Very low | 50.3 | Low | 102 Ų | 102 | 140.1 Ų | 140.1 | 62% | 0.618 | 80% | 0.795 | S | S | * | * | | | trans | -126.4 | 115.8 | 164.6 | 171.1 | 0 | 0 | 0 | 0 | 108.2 | E226 E230 | E226-V228 HydrophobicContact CG-CG2 3.86Å; E226-V228 PolarHBondContact O-N 3.18Å; E226-V228 VanDerWaalsContact O-N 3.15Å; E226-V228 WeakPolarHBondContact OE1-CG2 3.46Å; V228-E230 PolarHBondContact O-N 3.41Å |
| 229 | S | 55.1 | Low | 49.5 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | | | trans | -44.7 | 119.4 | 173.2 | 49.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 230 | E | 42.3 | Very low | 48.7 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | -140.9 | 101.2 | 155.1 | -157.2 | 164 | -157.9 | 0 | 0 | 109.2 | V228 | V228-E230 PolarHBondContact O-N 3.41Š|
| 231 | L | 50.4 | Low | 48.2 | Very low | 173 Ų | 173 | 138 Ų | 138 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | | | trans | -101 | 85.4 | 179.2 | -162 | 163.9 | 0 | 0 | 0 | 107.5 | | |
| 232 | K | 43.3 | Very low | 48.2 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | | | trans | 179.2 | 131.8 | 165.2 | -141.5 | 119.9 | 171.7 | -164.9 | 0 | 104.4 | | |
| 233 | E | 42.5 | Very low | 48 | Very low | 170 Ų | 170 | 140 Ų | 140 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | cis | -175.3 | 124.1 | 35.6 | -160.7 | 157.8 | -178.5 | 0 | 0 | 102.8 | | |
| 234 | G | 42.6 | Very low | 47.8 | Very low | 70 Ų | 70 | 143 Ų | 143 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | | | | 78.6 | 105.8 | 104.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 235 | A | 37.6 | Very low | 47.1 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | 66.2 | 134.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 236 | I | 48.7 | Very low | 46.2 | Very low | 167 Ų | 167 | 140 Ų | 140 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | | | | -151.5 | 134.2 | 59.1 | -66.9 | 170.1 | 0 | 0 | 0 | 109.5 | | |
| 237 | L | 50.7 | Low | 45.6 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | | | trans | -64.5 | 138.2 | 169.4 | -65.6 | 160.3 | 0 | 0 | 0 | 110.9 | | |
| 238 | G | 42.2 | Very low | 45.1 | Very low | 64 Ų | 64 | 139.6 Ų | 139.6 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | | | trans | -180 | 72.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 239 | T | 41.9 | Very low | 45.1 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | | | trans | 51.2 | 112.5 | 137.8 | 53.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 240 | G | 42.7 | Very low | 44.6 | Very low | 82 Ų | 82 | 146.2 Ų | 146.2 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | | | trans | 155.8 | 99.5 | 151.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 241 | R | 48.3 | Very low | 44.8 | Very low | 238 Ų | 238 | 144.9 Ų | 144.9 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | | | trans | -61.6 | 162.4 | -177.4 | -110.6 | -178.8 | 158.8 | -105.9 | 3.4 | 115.1 | | |
| 242 | P | 55.1 | Low | 44.6 | Very low | 103 Ų | 103 | 145 Ų | 145 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | | | trans | -90.3 | 144.3 | -179.6 | 36.1 | -29 | 0 | 0 | 0 | 112.9 | | |
| 243 | L | 48.6 | Very low | 44.5 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | | | trans | -123.1 | 100.5 | 167 | -63.8 | 170 | 0 | 0 | 0 | 106 | | |
| 244 | K | 48.3 | Very low | 44.9 | Very low | 189 Ų | 189 | 139.3 Ų | 139.3 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | | 73.2 | 114.3 | 75 | -172.2 | 146.3 | 175.3 | -177.8 | 0 | 113.2 | | |
| 245 | T | 40 | Very low | 45.5 | Very low | 132 Ų | 132 | 143 Ų | 143 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | | | trans | 92.3 | 130.7 | 150.9 | -33.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 246 | G | 37.1 | Very low | 46.3 | Very low | 64 Ų | 64 | 144 Ų | 144 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | | | trans | 149.9 | 68.1 | 147.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 247 | G | 41.4 | Very low | 46.6 | Very low | 80 Ų | 80 | 143.7 Ų | 143.7 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -57.1 | 144.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 248 | R | 42 | Very low | 47.3 | Very low | 232 Ų | 232 | 143.7 Ų | 143.7 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | | | trans | -121.6 | 86.2 | 167 | 47.3 | -167.3 | -148.1 | -84.8 | -3 | 108.8 | | |
| 249 | T | 47.2 | Very low | 48.4 | Very low | 125 Ų | 125 | 149.4 Ų | 149.4 | 77% | 0.767 | 80% | 0.795 | S | S | * | * | | | trans | -73.7 | 119.1 | 153.3 | -48.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 250 | W | 44.4 | Very low | 49 | Very low | 231 Ų | 231 | 149.8 Ų | 149.8 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | | | trans | -138.5 | 79.9 | 157.5 | -79.2 | 117.1 | 0 | 0 | 0 | 103.6 | | |
| 251 | E | 44.9 | Very low | 49.9 | Very low | 156 Ų | 156 | 153.5 Ų | 153.5 | 73% | 0.729 | 79% | 0.787 | S | S | * | * | | | | 53.8 | 96.9 | 97.1 | -132.1 | -162.9 | -162.9 | 0 | 0 | 114.2 | | |
| 252 | Q | 47.1 | Very low | 50.1 | Low | 177 Ų | 177 | 150.1 Ų | 150.1 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | | 42.1 | 81.6 | 128.1 | -154.9 | 140.5 | 29.2 | 0 | 0 | 118 | Q254 | Q252-Q254 PolarHBondContact O-N 3.08Š|
| 253 | G | 41.5 | Very low | 50.1 | Low | 74 Ų | 74 | 154.2 Ų | 154.2 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | | | trans | -79.5 | 108 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | D255 | G253-D255 PolarHBondContact O-N 3.22Š|
| 254 | Q | 49.9 | Very low | 50.7 | Low | 146 Ų | 146 | 151.7 Ų | 151.7 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | | | trans | -70.5 | 111.5 | -177.8 | -172.5 | 177 | -2.6 | 0 | 0 | 110.8 | Q252 H256 | Q252-Q254 PolarHBondContact O-N 3.08Å; Q254-H256 WeakPolarHBondContact CG-NE2 3.49Å; Q254-H256 PolarHBondContact NE2-NE2 3.44Å; Q254-H256 PolarHBondContact O-N 3.47Å |
| 255 | D | 55.5 | Low | 51.2 | Low | 149 Ų | 149 | 149.7 Ų | 149.7 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | trans | -61.7 | 112.3 | 170.7 | -63.8 | -45.5 | 0 | 0 | 0 | 109.7 | G253 | G253-D255 PolarHBondContact O-N 3.22Š|
| 256 | H | 54.6 | Low | 51.9 | Low | 119 Ų | 119 | 149.6 Ų | 149.6 | 55% | 0.551 | 78% | 0.779 | S | S | * | * | | | trans | -119.1 | 86 | 164.3 | -78.7 | -75 | 0 | 0 | 0 | 108.3 | Q254 K258 | Q254-H256 WeakPolarHBondContact CG-NE2 3.49Å; Q254-H256 PolarHBondContact NE2-NE2 3.44Å; Q254-H256 PolarHBondContact O-N 3.47Å; H256-K258 HydrophobicContact CB-CG 4.4Å; H256-K258 PolarHBondContact O-N 3.04Å |
| 257 | D | 56.3 | Low | 52.8 | Low | 161 Ų | 161 | 154.8 Ų | 154.8 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | | | trans | -64.2 | 100.9 | 164.3 | -70.6 | -34.7 | 0 | 0 | 0 | 109 | | |
| 258 | K | 65.3 | Low | 53.5 | Low | 175 Ų | 175 | 160 Ų | 160 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | | | trans | -112 | 24.7 | 177.4 | -70.6 | -167.3 | 178.9 | -176.7 | 0 | 113.8 | H256 | H256-K258 HydrophobicContact CB-CG 4.4Å; H256-K258 PolarHBondContact O-N 3.04Å |
| 259 | E | 64 | Low | 54.1 | Low | 185 Ų | 185 | 156.4 Ų | 156.4 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | | | trans | -90.7 | -10.2 | -175.4 | -160.2 | 175.9 | 167.6 | 0 | 0 | 114.5 | Q261 | E259-Q261 PolarHBondContact O-N 3.15Š|
| 260 | N | 55.8 | Low | 54.5 | Low | 158 Ų | 158 | 158.1 Ų | 158.1 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | | | trans | -102.4 | 61.3 | -175.2 | -102 | -8.1 | 0 | 0 | 0 | 114.2 | | |
| 261 | Q | 61.1 | Low | 55 | Low | 161 Ų | 161 | 154 Ų | 154 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | | | trans | -137 | 60.8 | 174.4 | -70.2 | -65.1 | 0.6 | 0 | 0 | 114.7 | E259 | E259-Q261 PolarHBondContact O-N 3.15Š|
| 262 | H | 51.3 | Low | 55.6 | Low | 167 Ų | 167 | 153.9 Ų | 153.9 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | | | trans | -151 | 126.8 | 159.1 | -62.3 | -70.6 | 0 | 0 | 0 | 106.8 | | |
| 263 | F | 55.3 | Low | 56.2 | Low | 188 Ų | 188 | 152.4 Ų | 152.4 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | cis | -160.9 | 156 | 41.2 | -67.4 | -93.5 | 0 | 0 | 0 | 111.3 | | |
| 264 | P | 60.9 | Low | 57.1 | Low | 117 Ų | 117 | 157.7 Ų | 157.7 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | | | trans | -82.1 | 131.7 | 160.1 | 31.8 | -28.6 | 0 | 0 | 0 | 111.1 | V266 | P264-V266 PolarHBondContact O-N 3.38Š|
| 265 | L | 58.9 | Low | 57.7 | Low | 147 Ų | 147 | 158.5 Ų | 158.5 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | | | trans | -65.1 | 114.2 | 172 | -178.5 | 66.7 | 0 | 0 | 0 | 109.7 | E267 | L265-E267 HydrophobicContact CD1-CG 4.11Š|
| 266 | V | 55.5 | Low | 57.8 | Low | 130 Ų | 130 | 159.2 Ų | 159.2 | 79% | 0.788 | 82% | 0.822 | S | S | * | * | | | trans | -110.4 | 107.6 | 163.6 | 173.1 | 0 | 0 | 0 | 0 | 106.3 | P264 | P264-V266 PolarHBondContact O-N 3.38Š|
| 267 | E | 56.9 | Low | 58.1 | Low | 172 Ų | 172 | 162.6 Ų | 162.6 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | | | trans | -112 | 127 | 160.2 | -77.6 | -175.6 | 163 | 0 | 0 | 107.6 | L265 | L265-E267 HydrophobicContact CD1-CG 4.11Š|
| 268 | S | 55.8 | Low | 58.2 | Low | 190 Ų | 190 | 162.7 Ų | 162.7 | 100% | 1.329 | 84% | 0.843 | S | S | * | * | | | trans | -102.4 | 0 | 172.3 | 58.4 | 0 | 0 | 0 | 0 | 110.1 | | |