| 1 | M | 59.4 | Low | 58 | Low | 249 Ų | 249 | 159.8 Ų | 159.8 | 100% | 1.227 | 84% | 0.838 | S | S | * | * | | | | 0 | 104.3 | 0 | -67.6 | -166.2 | 143 | 0 | 0 | 108.3 | | |
| 2 | R | 53.6 | Low | 58.3 | Low | 251 Ų | 251 | 158 Ų | 158 | 95% | 0.947 | 83% | 0.83 | S | S | * | * | | | trans | -119 | 120.8 | 173.3 | -83.2 | -176.7 | 176.8 | 176.9 | -1.2 | 106.6 | | |
| 3 | S | 50.7 | Low | 58.3 | Low | 112 Ų | 112 | 156.3 Ų | 156.3 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 148.6 | 177.8 | 33.8 | 0 | 0 | 0 | 0 | 111 | | |
| 4 | P | 66.3 | Low | 58.4 | Low | 120 Ų | 120 | 156.1 Ų | 156.1 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 126.7 | 178.9 | -0.5 | 20.1 | 0 | 0 | 0 | 110.4 | | |
| 5 | T | 63.3 | Low | 58.3 | Low | 121 Ų | 121 | 155.5 Ų | 155.5 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 118.4 | 168.6 | 39.2 | 0 | 0 | 0 | 0 | 110.3 | Y7 | T5-Y7 PolarHBondContact O-N 3.08Š|
| 6 | H | 54 | Low | 58 | Low | 183 Ų | 183 | 153.8 Ų | 153.8 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 120.7 | 164.6 | -90.9 | -100 | 0 | 0 | 0 | 110 | | |
| 7 | Y | 55 | Low | 57.9 | Low | 209 Ų | 209 | 153.4 Ų | 153.4 | 82% | 0.82 | 80% | 0.796 | S | S | * | * | | | trans | -90.9 | 113.7 | 162.2 | -86.6 | -90.8 | 0 | 0 | 0 | 108.3 | T5 | T5-Y7 PolarHBondContact O-N 3.08Š|
| 8 | T | 56.8 | Low | 57.7 | Low | 131 Ų | 131 | 151.3 Ų | 151.3 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -79.2 | 114.3 | 164.9 | 47.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 9 | V | 60.7 | Low | 57.2 | Low | 128 Ų | 128 | 147.9 Ų | 147.9 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | -72.1 | 123.9 | 171.7 | 174.9 | 0 | 0 | 0 | 0 | 107.8 | E11 | V9-E11 PolarHBondContact O-N 2.89Š|
| 10 | A | 54.5 | Low | 56.9 | Low | 86 Ų | 86 | 148.7 Ų | 148.7 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | | | trans | -76.1 | 118 | 176 | 0 | 0 | 0 | 0 | 0 | 109.8 | D12 | A10-D12 PolarHBondContact O-N 3.45Š|
| 11 | E | 63.7 | Low | 56.8 | Low | 168 Ų | 168 | 147.4 Ų | 147.4 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | trans | -91.5 | 68.6 | 175.8 | -65 | -160.6 | 165.5 | 0 | 0 | 111.4 | V9 | V9-E11 PolarHBondContact O-N 2.89Š|
| 12 | D | 61.3 | Low | 56.5 | Low | 138 Ų | 138 | 141.2 Ų | 141.2 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | | | trans | -119.7 | 3.5 | -179.3 | -83.2 | -32.9 | 0 | 0 | 0 | 115.2 | A10 | A10-D12 PolarHBondContact O-N 3.45Š|
| 13 | D | 57.9 | Low | 56.5 | Low | 136 Ų | 136 | 139.2 Ų | 139.2 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -90.8 | -1.4 | -173.2 | -86.1 | -19.1 | 0 | 0 | 0 | 115.8 | L15 | D13-L15 PolarHBondContact O-N 2.71Š|
| 14 | H | 60.2 | Low | 56.6 | Low | 154 Ų | 154 | 142 Ų | 142 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -78.8 | -12.8 | -174.9 | -75.4 | -69.2 | 0 | 0 | 0 | 115.3 | | |
| 15 | L | 57.4 | Low | 55.9 | Low | 146 Ų | 146 | 142.2 Ų | 142.2 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -91 | -18.2 | -175.2 | -75.6 | 166.8 | 0 | 0 | 0 | 114.5 | D13 | D13-L15 PolarHBondContact O-N 2.71Š|
| 16 | L | 53.6 | Low | 55.2 | Low | 129 Ų | 129 | 142.4 Ų | 142.4 | 68% | 0.675 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -19.4 | -176.8 | -75.8 | 167.6 | 0 | 0 | 0 | 114.2 | T19 | L16-T19 PolarHBondContact O-OG1 2.7Š|
| 17 | Q | 55.2 | Low | 55.2 | Low | 147 Ų | 147 | 137.4 Ų | 137.4 | 69% | 0.687 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -77.1 | -26 | 177.6 | -79.7 | 169.9 | -10.3 | 0 | 0 | 113 | T19 | Q17-T19 PolarHBondContact O-N 2.87Š|
| 18 | N | 54.5 | Low | 55.3 | Low | 116 Ų | 116 | 133.4 Ų | 133.4 | 62% | 0.62 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -75.7 | -17 | -176 | -109.4 | -7.1 | 0 | 0 | 0 | 114.7 | | |
| 19 | T | 49.2 | Very low | 55.2 | Low | 86 Ų | 86 | 135 Ų | 135 | 53% | 0.528 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -86.7 | -18 | -174.5 | 22.1 | 0 | 0 | 0 | 0 | 114.5 | L16 Q17 | L16-T19 PolarHBondContact O-OG1 2.7Å; Q17-T19 PolarHBondContact O-N 2.87Å |
| 20 | F | 51 | Low | 54.9 | Low | 164 Ų | 164 | 138 Ų | 138 | 72% | 0.719 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -93.4 | -33.9 | 178.1 | -82 | -84.6 | 0 | 0 | 0 | 113.5 | | |
| 21 | E | 53.8 | Low | 55.1 | Low | 121 Ų | 121 | 141 Ų | 141 | 57% | 0.565 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -68.5 | -36.1 | 176.6 | -71.9 | -89.6 | 138 | 0 | 0 | 112.3 | R23 F24 Y25 | E21-R23 PolarHBondContact O-N 2.93Å; E21-R23 VanDerWaalsContact O-N 3.14Å; E21-F24 PolarHBondContact O-N 2.86Å; E21-Y25 PolarHBondContact O-N 2.99Å |
| 22 | H | 53.5 | Low | 54.8 | Low | 119 Ų | 119 | 141.9 Ų | 141.9 | 55% | 0.551 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -16.1 | -171.7 | -145.8 | -71.1 | 0 | 0 | 0 | 114.4 | | |
| 23 | R | 53.4 | Low | 54.2 | Low | 209 Ų | 209 | 140.5 Ų | 140.5 | 79% | 0.789 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -20.1 | 178.3 | -111.7 | -172.1 | -81.8 | -168.4 | -4.5 | 113.8 | E21 | E21-R23 PolarHBondContact O-N 2.93Å; E21-R23 VanDerWaalsContact O-N 3.14Å |
| 24 | F | 53.5 | Low | 53.8 | Low | 171 Ų | 171 | 140 Ų | 140 | 75% | 0.75 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -29.2 | 178.2 | -75.5 | -80 | 0 | 0 | 0 | 112.7 | E21 M26 A27 | E21-F24 PolarHBondContact O-N 2.86Å; F24-M26 VanDerWaalsContact C-N 3.28Å; F24-M26 PolarHBondContact O-N 3.46Å; F24-A27 PolarHBondContact O-N 2.75Å |
| 25 | Y | 50.5 | Low | 53.3 | Low | 124 Ų | 124 | 136.4 Ų | 136.4 | 49% | 0.486 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -70.3 | -16.3 | -179.6 | -105 | -86.3 | 0 | 0 | 0 | 115.5 | E21 A27 | E21-Y25 PolarHBondContact O-N 2.99Å; Y25-A27 VanDerWaalsContact C-N 3.33Å |
| 26 | M | 50.4 | Low | 52.9 | Low | 126 Ų | 126 | 133.9 Ų | 133.9 | 62% | 0.621 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -83.8 | -6.5 | 177.1 | -69.7 | -68.6 | 163.1 | 0 | 0 | 113.8 | F24 | F24-M26 VanDerWaalsContact C-N 3.28Å; F24-M26 PolarHBondContact O-N 3.46Å |
| 27 | A | 54.2 | Low | 53.2 | Low | 77 Ų | 77 | 134.6 Ų | 134.6 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -90.6 | -26.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F24 Y25 | F24-A27 PolarHBondContact O-N 2.75Å; Y25-A27 VanDerWaalsContact C-N 3.33Å |
| 28 | D | 55.7 | Low | 53.1 | Low | 126 Ų | 126 | 137.4 Ų | 137.4 | 67% | 0.674 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -102.5 | -12.7 | -169.3 | -120.1 | 16.5 | 0 | 0 | 0 | 114.4 | R30 | D28-R30 VanDerWaalsContact C-N 3.34Å; D28-R30 PolarHBondContact O-N 3.21Å |
| 29 | Q | 55.3 | Low | 52.9 | Low | 164 Ų | 164 | 134.9 Ų | 134.9 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 7.9 | 178.9 | -76.2 | -157.5 | 4.6 | 0 | 0 | 115 | | |
| 30 | R | 54.1 | Low | 53.3 | Low | 190 Ų | 190 | 136 Ų | 136 | 72% | 0.717 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -4.6 | -178 | -96.9 | -177.4 | -177.4 | 149 | 1.8 | 115.7 | D28 | D28-R30 VanDerWaalsContact C-N 3.34Å; D28-R30 PolarHBondContact O-N 3.21Å |
| 31 | D | 57.9 | Low | 53.7 | Low | 150 Ų | 150 | 133 Ų | 133 | 80% | 0.802 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -94.4 | 9.5 | -169.2 | -85.4 | -5.6 | 0 | 0 | 0 | 115.7 | | |
| 32 | Q | 57.9 | Low | 54.1 | Low | 187 Ų | 187 | 131.2 Ų | 131.2 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -123.7 | -1.4 | -177.7 | -62 | -158.7 | 31.1 | 0 | 0 | 117.1 | S34 | Q32-S34 PolarHBondContact O-N 2.84Š|
| 33 | S | 49.3 | Very low | 54.5 | Low | 109 Ų | 109 | 129.7 Ų | 129.7 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | | | trans | -92 | 90.6 | 170.4 | 78.8 | 0 | 0 | 0 | 0 | 110.7 | G35 | S33-G35 PolarHBondContact O-N 3.03Š|
| 34 | S | 49.4 | Very low | 54.7 | Low | 125 Ų | 125 | 126.3 Ų | 126.3 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | | | trans | -47.5 | 121.8 | 163.5 | 49.4 | 0 | 0 | 0 | 0 | 111.4 | Q32 | Q32-S34 PolarHBondContact O-N 2.84Š|
| 35 | G | 50.2 | Low | 54.9 | Low | 79 Ų | 79 | 125.7 Ų | 125.7 | 81% | 0.814 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 117.5 | 46.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118 | S33 | S33-G35 PolarHBondContact O-N 3.03Š|
| 36 | S | 48.3 | Very low | 55.1 | Low | 92 Ų | 92 | 122.8 Ų | 122.8 | 64% | 0.643 | 70% | 0.702 | S | S | * | * | | | trans | -168.1 | 106.9 | 147.3 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | Y38 | S36-Y38 PolarHBondContact O-N 2.91Å; S36-Y38 VanDerWaalsContact O-N 3.15Å |
| 37 | V | 61 | Low | 55.4 | Low | 145 Ų | 145 | 122.7 Ų | 122.7 | 88% | 0.879 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -71.7 | -4.1 | -175.7 | 178.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 38 | Y | 52.9 | Low | 55.5 | Low | 206 Ų | 206 | 124.4 Ų | 124.4 | 81% | 0.808 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -110.9 | 77 | 167.9 | -69.6 | -84.2 | 0 | 0 | 0 | 109.4 | S36 S40 | S36-Y38 PolarHBondContact O-N 2.91Å; S36-Y38 VanDerWaalsContact O-N 3.15Å; Y38-S40 PolarHBondContact O-N 3.27Å |
| 39 | G | 49.5 | Very low | 55.4 | Low | 63 Ų | 63 | 121 Ų | 121 | 65% | 0.649 | 70% | 0.702 | S | S | * | * | | | trans | -55.7 | 115.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | L41 | G39-L41 PolarHBondContact O-N 3.14Š|
| 40 | S | 57.1 | Low | 55.5 | Low | 110 Ų | 110 | 115.4 Ų | 115.4 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | | | trans | -45.5 | 103.7 | 174.9 | -62.4 | 0 | 0 | 0 | 0 | 109 | Y38 | Y38-S40 PolarHBondContact O-N 3.27Š|
| 41 | L | 58.9 | Low | 56.2 | Low | 99 Ų | 99 | 113 Ų | 113 | 52% | 0.518 | 69% | 0.69 | S | S | . | * | | | trans | -53.1 | 128.6 | 172.1 | -76 | 165 | 0 | 0 | 0 | 106.5 | G39 S43 W45 | G39-L41 PolarHBondContact O-N 3.14Å; L41-S43 PolarHBondContact O-N 2.86Å; L41-W45 HydrophobicContact CB-CD2 3.97Å; L41-W45 HydrophobicContact CB-CG 4.06Å; L41-W45 HydrophobicContact CB-CZ2 3.85Å; L41-W45 HydrophobicContact CD1-CD2 4.01Å; L41-W45 HydrophobicContact CD1-CE3 4.24Å; L41-W45 HydrophobicContact CD1-CH2 3.59Å; L41-W45 HydrophobicContact CD1-CZ2 3.32Å; L41-W45 HydrophobicContact CD1-CZ3 4.05Å; L41-W45 HydrophobicContact CG-CZ2 4.22Å; L41-W45 PolarHBondContact O-NE1 2.76Å |
| 42 | P | 63 | Low | 57.3 | Low | 84 Ų | 84 | 109.9 Ų | 109.9 | 55% | 0.545 | 67% | 0.673 | S | S | . | * | | | trans | -55.3 | 108.5 | -173.4 | 12.8 | -21.9 | 0 | 0 | 0 | 108.5 | D44 W45 | P42-D44 PolarHBondContact O-N 3.21Å; P42-W45 PolarHBondContact O-N 3.09Å |
| 43 | S | 61.4 | Low | 58.7 | Low | 87 Ų | 87 | 104.7 Ų | 104.7 | 61% | 0.608 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -47.3 | -12.2 | -163 | -58.7 | 0 | 0 | 0 | 0 | 116 | L41 W45 S46 | L41-S43 PolarHBondContact O-N 2.86Å; S43-W45 PolarHBondContact O-N 2.78Å; S43-S46 PolarHBondContact O-N 3.15Å; S43-S46 PolarHBondContact O-OG 2.83Å |
| 44 | D | 57.3 | Low | 60.6 | Low | 139 Ų | 139 | 104.6 Ų | 104.6 | 74% | 0.743 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -70 | -8.5 | 171.8 | -49.1 | -16.6 | 0 | 0 | 0 | 113.8 | P42 S46 | P42-D44 PolarHBondContact O-N 3.21Å; D44-S46 PolarHBondContact O-N 3.39Å |
| 45 | W | 58 | Low | 62.4 | Low | 157 Ų | 157 | 100.2 Ų | 100.2 | 60% | 0.595 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -75.3 | -0.8 | 169.2 | 73.5 | -63.4 | 0 | 0 | 0 | 114 | L41 P42 S43 V47 | L41-W45 HydrophobicContact CB-CD2 3.97Å; L41-W45 HydrophobicContact CB-CG 4.06Å; L41-W45 HydrophobicContact CB-CZ2 3.85Å; L41-W45 HydrophobicContact CD1-CD2 4.01Å; L41-W45 HydrophobicContact CD1-CE3 4.24Å; L41-W45 HydrophobicContact CD1-CH2 3.59Å; L41-W45 HydrophobicContact CD1-CZ2 3.32Å; L41-W45 HydrophobicContact CD1-CZ3 4.05Å; L41-W45 HydrophobicContact CG-CZ2 4.22Å; L41-W45 PolarHBondContact O-NE1 2.76Å; P42-W45 PolarHBondContact O-N 3.09Å; S43-W45 PolarHBondContact O-N 2.78Å; W45-V47 PolarHBondContact O-N 2.89Å |
| 46 | S | 54.4 | Low | 64.2 | Low | 64 Ų | 64 | 103.4 Ų | 103.4 | 45% | 0.448 | 61% | 0.611 | S | S | . | * | | | trans | -51.9 | 123.1 | 173.9 | -68.2 | 0 | 0 | 0 | 0 | 110.3 | S43 D44 S48 S49 | S43-S46 PolarHBondContact O-N 3.15Å; S43-S46 PolarHBondContact O-OG 2.83Å; D44-S46 PolarHBondContact O-N 3.39Å; S46-S48 PolarHBondContact O-N 3.12Å; S46-S49 PolarHBondContact O-N 3.07Å; S46-S49 PolarHBondContact O-OG 2.97Å; S46-S49 VanDerWaalsContact O-OG 3.12Å |
| 47 | V | 58.6 | Low | 66.3 | Low | 124 Ų | 124 | 103.3 Ų | 103.3 | 75% | 0.752 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -51.5 | -19.6 | -179.3 | -172.7 | 0 | 0 | 0 | 0 | 112.1 | W45 S49 A50 | W45-V47 PolarHBondContact O-N 2.89Å; V47-S49 VanDerWaalsContact C-N 3.27Å; V47-S49 PolarHBondContact O-N 2.94Å; V47-A50 WeakPolarHBondContact O-CB 3.27Å; V47-A50 PolarHBondContact O-N 3.31Å |
| 48 | S | 55.7 | Low | 67.9 | Low | 113 Ų | 113 | 101.1 Ų | 101.1 | 79% | 0.79 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -66.9 | -13.5 | 177.1 | -47.6 | 0 | 0 | 0 | 0 | 115.7 | S46 A50 | S46-S48 PolarHBondContact O-N 3.12Å; S48-A50 VanDerWaalsContact C-N 3.34Å |
| 49 | S | 54 | Low | 69.7 | Low | 55 Ų | 55 | 95.7 Ų | 95.7 | 39% | 0.385 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -87.1 | 0.5 | 174.9 | 58.6 | 0 | 0 | 0 | 0 | 114 | S46 V47 T51 K59 | S46-S49 PolarHBondContact O-N 3.07Å; S46-S49 PolarHBondContact O-OG 2.97Å; S46-S49 VanDerWaalsContact O-OG 3.12Å; V47-S49 VanDerWaalsContact C-N 3.27Å; V47-S49 PolarHBondContact O-N 2.94Å; S49-T51 PolarHBondContact O-N 3.39Å; S49-K59 PolarHBondContact OG-NZ 3.35Å |
| 50 | A | 57 | Low | 71.8 | Confident | 46 Ų | 46 | 95.9 Ų | 95.9 | 38% | 0.38 | 55% | 0.551 | S | S | . | * | | | trans | -81.2 | 58.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V47 S48 N52 | V47-A50 WeakPolarHBondContact O-CB 3.27Å; V47-A50 PolarHBondContact O-N 3.31Å; S48-A50 VanDerWaalsContact C-N 3.34Å; A50-N52 PolarHBondContact O-N 2.89Å |
| 51 | T | 67.9 | Low | 73.7 | Confident | 140 Ų | 140 | 94.6 Ų | 94.6 | 86% | 0.859 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -70.5 | -12.8 | 171.3 | 51.8 | 0 | 0 | 0 | 0 | 112.3 | S49 | S49-T51 PolarHBondContact O-N 3.39Š|
| 52 | N | 82.5 | Confident | 75.4 | Confident | 83 Ų | 83 | 96.2 Ų | 96.2 | 44% | 0.444 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -131 | 123.1 | 174.6 | -171.9 | -10 | 0 | 0 | 0 | 110.2 | A50 D54 S55 | A50-N52 PolarHBondContact O-N 2.89Å; N52-D54 PolarHBondContact O-N 3.17Å; N52-D54 PolarHBondContact OD1-N 2.89Å; N52-D54 VanDerWaalsContact OD1-N 3.1Å; N52-S55 WeakPolarHBondContact O-CB 3.45Å; N52-S55 PolarHBondContact O-N 2.87Å; N52-S55 PolarHBondContact O-OG 3.22Å |
| 53 | A | 86.1 | Confident | 76.9 | Confident | 79 Ų | 79 | 98.1 Ų | 98.1 | 65% | 0.653 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -56.5 | -32.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S55 W56 L57 | A53-S55 VanDerWaalsContact C-N 3.32Å; A53-S55 PolarHBondContact O-N 2.7Å; A53-W56 PolarHBondContact O-N 2.85Å; A53-L57 PolarHBondContact O-N 3.48Å |
| 54 | D | 88.9 | Confident | 78.5 | Confident | 106 Ų | 106 | 98.8 Ų | 98.8 | 57% | 0.567 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.4 | -38.7 | 177.9 | -63.6 | -26.5 | 0 | 0 | 0 | 111.4 | N52 W56 L57 D58 | N52-D54 PolarHBondContact O-N 3.17Å; N52-D54 PolarHBondContact OD1-N 2.89Å; N52-D54 VanDerWaalsContact OD1-N 3.1Å; D54-W56 VanDerWaalsContact C-N 3.26Å; D54-W56 PolarHBondContact O-N 3.35Å; D54-L57 PolarHBondContact O-N 3.12Å; D54-D58 PolarHBondContact O-N 2.96Å |
| 55 | S | 88.7 | Confident | 80.2 | Confident | 34 Ų | 34 | 98.4 Ų | 98.4 | 24% | 0.238 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -64.5 | -30.2 | 178.6 | 76.2 | 0 | 0 | 0 | 0 | 112.9 | N52 A53 K59 | N52-S55 WeakPolarHBondContact O-CB 3.45Å; N52-S55 PolarHBondContact O-N 2.87Å; N52-S55 PolarHBondContact O-OG 3.22Å; A53-S55 VanDerWaalsContact C-N 3.32Å; A53-S55 PolarHBondContact O-N 2.7Å; S55-K59 WeakPolarHBondContact O-CB 3.32Å; S55-K59 WeakPolarHBondContact O-CD 3.45Å; S55-K59 WeakPolarHBondContact O-CG 3.3Å; S55-K59 PolarHBondContact O-N 3.45Å; S55-K59 VanDerWaalsContact O-N 3.11Å |
| 56 | W | 87 | Confident | 81.8 | Confident | 145 Ų | 145 | 95.7 Ų | 95.7 | 55% | 0.549 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73.2 | -43.7 | 176.6 | 177.3 | 86.4 | 0 | 0 | 0 | 111.2 | A53 D54 D58 K59 Q60 | A53-W56 PolarHBondContact O-N 2.85Å; D54-W56 VanDerWaalsContact C-N 3.26Å; D54-W56 PolarHBondContact O-N 3.35Å; W56-D58 VanDerWaalsContact C-N 3.34Å; W56-K59 PolarHBondContact O-N 3.44Å; W56-Q60 HydrophobicContact CD2-CG 4.07Å; W56-Q60 HydrophobicContact CE3-CG 4.31Å; W56-Q60 HydrophobicContact CH2-CG 4.08Å; W56-Q60 HydrophobicContact CZ2-CG 3.8Å; W56-Q60 HydrophobicContact CZ3-CG 4.32Å; W56-Q60 WeakPolarHBondContact O-CG 3.14Å; W56-Q60 PolarHBondContact O-N 3.36Å |
| 57 | L | 93.4 | Very high | 83.5 | Confident | 91 Ų | 91 | 100.6 Ų | 100.6 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 177.2 | -176.8 | 62.3 | 0 | 0 | 0 | 111.1 | A53 D54 K59 Q60 M61 | A53-L57 PolarHBondContact O-N 3.48Å; D54-L57 PolarHBondContact O-N 3.12Å; L57-K59 VanDerWaalsContact C-N 3.34Å; L57-K59 PolarHBondContact O-N 3.12Å; L57-Q60 PolarHBondContact O-N 2.86Å; L57-Q60 VanDerWaalsContact O-N 3.15Å; L57-M61 WeakPolarHBondContact O-CG 3.44Å; L57-M61 PolarHBondContact O-N 3.4Å |
| 58 | D | 93.9 | Very high | 85 | Confident | 98 Ų | 98 | 101.2 Ų | 101.2 | 52% | 0.524 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.1 | -45.1 | 174.9 | -78.1 | -23.4 | 0 | 0 | 0 | 111.7 | D54 W56 Q60 M61 Q62 | D54-D58 PolarHBondContact O-N 2.96Å; W56-D58 VanDerWaalsContact C-N 3.34Å; D58-Q60 VanDerWaalsContact C-N 3.35Å; D58-Q60 PolarHBondContact O-N 3.1Å; D58-M61 PolarHBondContact O-N 3.4Å; D58-Q62 WeakPolarHBondContact O-CB 3.3Å; D58-Q62 WeakPolarHBondContact O-CG 3.35Å; D58-Q62 PolarHBondContact O-N 2.93Å |
| 59 | K | 90.5 | Very high | 86.4 | Confident | 92 Ų | 92 | 100.4 Ų | 100.4 | 40% | 0.4 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.1 | -42 | 174.4 | -75.4 | 172.2 | -177.1 | -176.4 | 0 | 111.8 | S49 S55 W56 L57 Q62 K63 | S49-K59 PolarHBondContact OG-NZ 3.35Å; S55-K59 WeakPolarHBondContact O-CB 3.32Å; S55-K59 WeakPolarHBondContact O-CD 3.45Å; S55-K59 WeakPolarHBondContact O-CG 3.3Å; S55-K59 PolarHBondContact O-N 3.45Å; S55-K59 VanDerWaalsContact O-N 3.11Å; W56-K59 PolarHBondContact O-N 3.44Å; L57-K59 VanDerWaalsContact C-N 3.34Å; L57-K59 PolarHBondContact O-N 3.12Å; K59-Q62 PolarHBondContact O-N 2.91Å; K59-K63 WeakPolarHBondContact O-CB 3.36Å; K59-K63 PolarHBondContact O-N 3.25Å |
| 60 | Q | 94.1 | Very high | 87.9 | Confident | 68 Ų | 68 | 103 Ų | 103 | 32% | 0.318 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.6 | -39 | 176.1 | -66.4 | -51.6 | -41.7 | 0 | 0 | 112.2 | W56 L57 D58 K63 L64 | W56-Q60 HydrophobicContact CD2-CG 4.07Å; W56-Q60 HydrophobicContact CE3-CG 4.31Å; W56-Q60 HydrophobicContact CH2-CG 4.08Å; W56-Q60 HydrophobicContact CZ2-CG 3.8Å; W56-Q60 HydrophobicContact CZ3-CG 4.32Å; W56-Q60 WeakPolarHBondContact O-CG 3.14Å; W56-Q60 PolarHBondContact O-N 3.36Å; L57-Q60 PolarHBondContact O-N 2.86Å; L57-Q60 VanDerWaalsContact O-N 3.15Å; D58-Q60 VanDerWaalsContact C-N 3.35Å; D58-Q60 PolarHBondContact O-N 3.1Å; Q60-K63 PolarHBondContact O-N 3.02Å; Q60-L64 PolarHBondContact O-N 3.04Å |
| 61 | M | 95.7 | Very high | 89.5 | Confident | 82 Ų | 82 | 106.1 Ų | 106.1 | 40% | 0.404 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.8 | -38.4 | 176 | -73.2 | -52.4 | 94.4 | 0 | 0 | 112.3 | L57 D58 L64 K65 | L57-M61 WeakPolarHBondContact O-CG 3.44Å; L57-M61 PolarHBondContact O-N 3.4Å; D58-M61 PolarHBondContact O-N 3.4Å; M61-L64 HydrophobicContact CE-CD2 4.22Å; M61-L64 PolarHBondContact O-N 3.33Å; M61-L64 HydrophobicContact SD-CD2 4.45Å; M61-K65 WeakPolarHBondContact O-CB 3.48Å; M61-K65 VanDerWaalsContact O-CG 3.26Å; M61-K65 WeakPolarHBondContact O-CG 3.36Å; M61-K65 PolarHBondContact O-N 3.47Å |
| 62 | Q | 95.5 | Very high | 90.6 | Very high | 133 Ų | 133 | 102.6 Ų | 102.6 | 62% | 0.621 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 171 | -74.4 | 179 | -1.1 | 0 | 0 | 111.5 | D58 K59 L64 K65 L66 | D58-Q62 WeakPolarHBondContact O-CB 3.3Å; D58-Q62 WeakPolarHBondContact O-CG 3.35Å; D58-Q62 PolarHBondContact O-N 2.93Å; K59-Q62 PolarHBondContact O-N 2.91Å; Q62-L64 PolarHBondContact O-N 3.21Å; Q62-K65 PolarHBondContact O-N 3.34Å; Q62-L66 WeakPolarHBondContact O-CB 3.46Å; Q62-L66 PolarHBondContact O-N 3.43Å |
| 63 | K | 94.9 | Very high | 91.1 | Very high | 124 Ų | 124 | 103 Ų | 103 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 176.6 | -172.3 | 175.8 | -177.2 | 176.7 | 0 | 112 | K59 Q60 L66 R67 | K59-K63 WeakPolarHBondContact O-CB 3.36Å; K59-K63 PolarHBondContact O-N 3.25Å; Q60-K63 PolarHBondContact O-N 3.02Å; K63-L66 PolarHBondContact O-N 3.01Å; K63-R67 WeakPolarHBondContact O-CG 3.24Å; K63-R67 PolarHBondContact O-N 3.33Å |
| 64 | L | 94.8 | Very high | 91.5 | Very high | 102 Ų | 102 | 104.5 Ų | 104.5 | 53% | 0.534 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 176.7 | -173.8 | 66.7 | 0 | 0 | 0 | 111.5 | Q60 M61 Q62 L66 R67 Q68 | Q60-L64 PolarHBondContact O-N 3.04Å; M61-L64 HydrophobicContact CE-CD2 4.22Å; M61-L64 PolarHBondContact O-N 3.33Å; M61-L64 HydrophobicContact SD-CD2 4.45Å; Q62-L64 PolarHBondContact O-N 3.21Å; L64-L66 PolarHBondContact O-N 3.13Å; L64-R67 PolarHBondContact O-N 2.83Å; L64-Q68 WeakPolarHBondContact O-CB 3.43Å; L64-Q68 PolarHBondContact O-N 2.85Å |
| 65 | K | 93 | Very high | 91.6 | Very high | 131 Ų | 131 | 102 Ų | 102 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.6 | -45 | 175.1 | -76.6 | 174.1 | 178.3 | 177.8 | 0 | 111.8 | M61 Q62 Q68 Q69 | M61-K65 WeakPolarHBondContact O-CB 3.48Å; M61-K65 VanDerWaalsContact O-CG 3.26Å; M61-K65 WeakPolarHBondContact O-CG 3.36Å; M61-K65 PolarHBondContact O-N 3.47Å; Q62-K65 PolarHBondContact O-N 3.34Å; K65-Q68 PolarHBondContact O-N 3.09Å; K65-Q69 WeakPolarHBondContact O-CG 3.31Å; K65-Q69 PolarHBondContact O-N 3.24Å |
| 66 | L | 90.6 | Very high | 91.7 | Very high | 100 Ų | 100 | 107 Ų | 107 | 52% | 0.524 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 178.1 | -172.2 | 69.2 | 0 | 0 | 0 | 111.3 | Q62 K63 L64 Q68 Q69 L70 | Q62-L66 WeakPolarHBondContact O-CB 3.46Å; Q62-L66 PolarHBondContact O-N 3.43Å; K63-L66 PolarHBondContact O-N 3.01Å; L64-L66 PolarHBondContact O-N 3.13Å; L66-Q68 VanDerWaalsContact C-N 3.34Å; L66-Q68 PolarHBondContact O-N 3.26Å; L66-Q69 PolarHBondContact O-N 3.4Å; L66-L70 HydrophobicContact CG-CD1 4.06Å; L66-L70 WeakPolarHBondContact O-CB 3.49Å; L66-L70 WeakPolarHBondContact O-CG 3.48Å; L66-L70 PolarHBondContact O-N 3.44Å |
| 67 | R | 91 | Very high | 92.1 | Very high | 166 Ų | 166 | 106.8 Ų | 106.8 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.9 | -41.6 | 174.8 | -72.4 | -176.6 | 77 | 179.4 | 6.4 | 111.9 | K63 L64 L70 T71 | K63-R67 WeakPolarHBondContact O-CG 3.24Å; K63-R67 PolarHBondContact O-N 3.33Å; L64-R67 PolarHBondContact O-N 2.83Å; R67-L70 PolarHBondContact O-N 2.97Å; R67-T71 VanDerWaalsContact O-CB 3.31Å; R67-T71 WeakPolarHBondContact O-CB 3.36Å; R67-T71 PolarHBondContact O-N 3.49Å; R67-T71 PolarHBondContact O-OG1 2.77Å |
| 68 | Q | 89.5 | Confident | 92.2 | Very high | 137 Ų | 137 | 109.2 Ų | 109.2 | 64% | 0.64 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.5 | -43.5 | 177.2 | -170.5 | 174.5 | 22.2 | 0 | 0 | 111.5 | L64 K65 L66 L70 T71 D72 | L64-Q68 WeakPolarHBondContact O-CB 3.43Å; L64-Q68 PolarHBondContact O-N 2.85Å; K65-Q68 PolarHBondContact O-N 3.09Å; L66-Q68 VanDerWaalsContact C-N 3.34Å; L66-Q68 PolarHBondContact O-N 3.26Å; Q68-L70 PolarHBondContact O-N 3.28Å; Q68-T71 PolarHBondContact O-N 3.32Å; Q68-D72 PolarHBondContact O-N 2.97Å; Q68-D72 VanDerWaalsContact O-N 3.13Å |
| 69 | Q | 85.4 | Confident | 92.1 | Very high | 96 Ų | 96 | 109.8 Ų | 109.8 | 45% | 0.449 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 176.1 | -73.3 | 178.6 | 4.6 | 0 | 0 | 112.8 | K65 L66 L75 R79 | K65-Q69 WeakPolarHBondContact O-CG 3.31Å; K65-Q69 PolarHBondContact O-N 3.24Å; L66-Q69 PolarHBondContact O-N 3.4Å; Q69-L75 HydrophobicContact CG-CD1 4.35Å; Q69-R79 PolarHBondContact O-NH2 3.05Å |
| 70 | L | 85.9 | Confident | 92.4 | Very high | 110 Ų | 110 | 110.6 Ų | 110.6 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72.3 | -32.1 | 176.6 | -75.1 | 166 | 0 | 0 | 0 | 112.9 | L66 R67 Q68 | L66-L70 HydrophobicContact CG-CD1 4.06Å; L66-L70 WeakPolarHBondContact O-CB 3.49Å; L66-L70 WeakPolarHBondContact O-CG 3.48Å; L66-L70 PolarHBondContact O-N 3.44Å; R67-L70 PolarHBondContact O-N 2.97Å; Q68-L70 PolarHBondContact O-N 3.28Å |
| 71 | T | 91.1 | Very high | 92.6 | Very high | 111 Ų | 111 | 113.9 Ų | 113.9 | 68% | 0.681 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -82.4 | -28.2 | -175.7 | -52.4 | 0 | 0 | 0 | 0 | 112.4 | R67 Q68 P73 | R67-T71 VanDerWaalsContact O-CB 3.31Å; R67-T71 WeakPolarHBondContact O-CB 3.36Å; R67-T71 PolarHBondContact O-N 3.49Å; R67-T71 PolarHBondContact O-OG1 2.77Å; Q68-T71 PolarHBondContact O-N 3.32Å; T71-P73 WeakPolarHBondContact O-CD 3.42Å |
| 72 | D | 91.1 | Very high | 92.7 | Very high | 66 Ų | 66 | 115.3 Ų | 115.3 | 35% | 0.353 | 54% | 0.54 | S | S | . | . | | | trans | -76 | 108.8 | -179 | -172.1 | -10.9 | 0 | 0 | 0 | 111.4 | Q68 H74 L75 K76 | Q68-D72 PolarHBondContact O-N 2.97Å; Q68-D72 VanDerWaalsContact O-N 3.13Å; D72-H74 PolarHBondContact O-N 3.5Å; D72-H74 WeakPolarHBondContact OD1-CB 3.45Å; D72-H74 PolarHBondContact OD1-N 2.87Å; D72-L75 HydrophobicContact CB-CB 4.13Å; D72-L75 HydrophobicContact CB-CD1 3.99Å; D72-L75 HydrophobicContact CB-CG 4.12Å; D72-L75 PolarHBondContact O-N 2.83Å; D72-K76 PolarHBondContact O-N 3.24Å; D72-K76 VanDerWaalsContact O-N 3.13Å |
| 73 | P | 93 | Very high | 92.8 | Very high | 92 Ų | 92 | 115.6 Ų | 115.6 | 60% | 0.597 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.5 | -25.4 | -178.4 | 28.4 | -36.1 | 0 | 0 | 0 | 112.3 | T71 K76 K77 | T71-P73 WeakPolarHBondContact O-CD 3.42Å; P73-K76 PolarHBondContact O-N 3.32Å; P73-K77 WeakPolarHBondContact O-CG 3.38Å; P73-K77 PolarHBondContact O-N 3.36Å |
| 74 | H | 93.5 | Very high | 92.9 | Very high | 110 Ų | 110 | 113.9 Ų | 113.9 | 51% | 0.509 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72.7 | -41.1 | 178.2 | 179.4 | -92.4 | 0 | 0 | 0 | 111.4 | D72 K76 K77 R78 | D72-H74 PolarHBondContact O-N 3.5Å; D72-H74 WeakPolarHBondContact OD1-CB 3.45Å; D72-H74 PolarHBondContact OD1-N 2.87Å; H74-K76 VanDerWaalsContact C-N 3.29Å; H74-K76 PolarHBondContact O-N 3.37Å; H74-K77 PolarHBondContact O-N 2.94Å; H74-R78 PolarHBondContact CE1-NH2 3.4Å; H74-R78 PolarHBondContact O-N 3.11Å |
| 75 | L | 90.3 | Very high | 93.1 | Very high | 53 Ų | 53 | 113.8 Ų | 113.8 | 28% | 0.277 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.6 | -33.4 | 172.9 | -73.2 | 176.6 | 0 | 0 | 0 | 112.1 | Q69 D72 R79 | Q69-L75 HydrophobicContact CG-CD1 4.35Å; D72-L75 HydrophobicContact CB-CB 4.13Å; D72-L75 HydrophobicContact CB-CD1 3.99Å; D72-L75 HydrophobicContact CB-CG 4.12Å; D72-L75 PolarHBondContact O-N 2.83Å; L75-R79 PolarHBondContact O-N 3.28Å |
| 76 | K | 90.9 | Very high | 93.3 | Very high | 140 Ų | 140 | 112.5 Ų | 112.5 | 61% | 0.609 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.1 | -50.7 | 173.2 | -171.4 | 177.5 | 179.2 | 178.7 | 0 | 111.3 | D72 P73 H74 R78 R79 E80 | D72-K76 PolarHBondContact O-N 3.24Å; D72-K76 VanDerWaalsContact O-N 3.13Å; P73-K76 PolarHBondContact O-N 3.32Å; H74-K76 VanDerWaalsContact C-N 3.29Å; H74-K76 PolarHBondContact O-N 3.37Å; K76-R78 VanDerWaalsContact C-N 3.33Å; K76-R78 PolarHBondContact O-N 3Å; K76-R79 PolarHBondContact O-N 3.34Å; K76-E80 PolarHBondContact O-N 3.44Å |
| 77 | K | 95.6 | Very high | 93.7 | Very high | 141 Ų | 141 | 111.6 Ų | 111.6 | 61% | 0.613 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.1 | -42.3 | 176.6 | -73.7 | -177.9 | 178.9 | -174 | 0 | 112.5 | P73 H74 E80 Q81 | P73-K77 WeakPolarHBondContact O-CG 3.38Å; P73-K77 PolarHBondContact O-N 3.36Å; H74-K77 PolarHBondContact O-N 2.94Å; K77-E80 PolarHBondContact O-N 3.43Å; K77-Q81 VanDerWaalsContact O-CG 3.31Å; K77-Q81 WeakPolarHBondContact O-CG 3.06Å; K77-Q81 PolarHBondContact O-N 2.98Å |
| 78 | R | 95.7 | Very high | 94 | Very high | 142 Ų | 142 | 109.8 Ų | 109.8 | 54% | 0.536 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 177 | -177.5 | -179.5 | -70.6 | 175.1 | -6.5 | 112 | H74 K76 E80 Q81 E82 | H74-R78 PolarHBondContact CE1-NH2 3.4Å; H74-R78 PolarHBondContact O-N 3.11Å; K76-R78 VanDerWaalsContact C-N 3.33Å; K76-R78 PolarHBondContact O-N 3Å; R78-E80 VanDerWaalsContact C-N 3.33Å; R78-E80 PolarHBondContact O-N 2.88Å; R78-Q81 PolarHBondContact O-N 2.84Å; R78-E82 WeakPolarHBondContact O-CB 3.43Å; R78-E82 PolarHBondContact O-N 3.39Å |
| 79 | R | 93.1 | Very high | 94.4 | Very high | 110 Ų | 110 | 108.1 Ų | 108.1 | 42% | 0.415 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 176.2 | -88.1 | -174.6 | -76.7 | 163.6 | -6.6 | 112.5 | Q69 L75 K76 E82 R83 | Q69-R79 PolarHBondContact O-NH2 3.05Å; L75-R79 PolarHBondContact O-N 3.28Å; K76-R79 PolarHBondContact O-N 3.34Å; R79-E82 PolarHBondContact O-N 2.93Å; R79-R83 WeakPolarHBondContact O-CB 3.45Å; R79-R83 PolarHBondContact O-N 3.43Å |
| 80 | E | 96.5 | Very high | 95 | Very high | 109 Ų | 109 | 107.9 Ų | 107.9 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 176.1 | -172.9 | 174.5 | -171 | 0 | 0 | 112 | K76 K77 R78 R83 L84 | K76-E80 PolarHBondContact O-N 3.44Å; K77-E80 PolarHBondContact O-N 3.43Å; R78-E80 VanDerWaalsContact C-N 3.33Å; R78-E80 PolarHBondContact O-N 2.88Å; E80-R83 PolarHBondContact O-N 3.12Å; E80-L84 WeakPolarHBondContact O-CG 3.45Å; E80-L84 PolarHBondContact O-N 2.8Å |
| 81 | Q | 97.8 | Very high | 95.6 | Very high | 137 Ų | 137 | 107 Ų | 107 | 64% | 0.64 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.5 | -43.5 | 173.1 | -73.7 | 175.9 | -27.9 | 0 | 0 | 112.3 | K77 R78 L84 L85 | K77-Q81 VanDerWaalsContact O-CG 3.31Å; K77-Q81 WeakPolarHBondContact O-CG 3.06Å; K77-Q81 PolarHBondContact O-N 2.98Å; R78-Q81 PolarHBondContact O-N 2.84Å; Q81-L84 PolarHBondContact O-N 2.99Å; Q81-L85 PolarHBondContact O-N 2.93Å |
| 82 | E | 97.4 | Very high | 95.9 | Very high | 111 Ų | 111 | 105.1 Ų | 105.1 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 175.2 | -177.1 | 175.5 | -165.9 | 0 | 0 | 111.5 | R78 R79 L84 L85 L86 | R78-E82 WeakPolarHBondContact O-CB 3.43Å; R78-E82 PolarHBondContact O-N 3.39Å; R79-E82 PolarHBondContact O-N 2.93Å; E82-L84 PolarHBondContact O-N 3.39Å; E82-L85 PolarHBondContact O-N 3.39Å; E82-L86 HydrophobicContact CG-CD1 4.31Å; E82-L86 WeakPolarHBondContact O-CG 3.44Å; E82-L86 PolarHBondContact O-N 3.25Å |
| 83 | R | 97.5 | Very high | 96.2 | Very high | 140 Ų | 140 | 107.6 Ų | 107.6 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 175.4 | -164.8 | -169.4 | 85.3 | 85.6 | 0.8 | 111.8 | R79 E80 L86 E87 | R79-R83 WeakPolarHBondContact O-CB 3.45Å; R79-R83 PolarHBondContact O-N 3.43Å; E80-R83 PolarHBondContact O-N 3.12Å; R83-L86 PolarHBondContact O-N 3.5Å; R83-E87 PolarHBondContact O-N 2.94Å |
| 84 | L | 98 | Very high | 96.3 | Very high | 88 Ų | 88 | 107.4 Ų | 107.4 | 46% | 0.461 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 177.2 | -74.4 | 169.7 | 0 | 0 | 0 | 111.9 | E80 Q81 E82 L86 E87 E88 | E80-L84 WeakPolarHBondContact O-CG 3.45Å; E80-L84 PolarHBondContact O-N 2.8Å; Q81-L84 PolarHBondContact O-N 2.99Å; E82-L84 PolarHBondContact O-N 3.39Å; L84-L86 PolarHBondContact O-N 3.48Å; L84-E87 PolarHBondContact O-N 3.49Å; L84-E88 WeakPolarHBondContact O-CG 3.35Å; L84-E88 PolarHBondContact O-N 3.47Å |
| 85 | L | 98.4 | Very high | 96.4 | Very high | 99 Ų | 99 | 106 Ų | 106 | 52% | 0.518 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 177.4 | -176.4 | 67.9 | 0 | 0 | 0 | 112.1 | Q81 E82 E88 L89 | Q81-L85 PolarHBondContact O-N 2.93Å; E82-L85 PolarHBondContact O-N 3.39Å; L85-E88 PolarHBondContact O-N 2.96Å; L85-L89 HydrophobicContact CG-CD1 4.46Å; L85-L89 WeakPolarHBondContact O-CG 3.39Å; L85-L89 PolarHBondContact O-N 3.03Å |
| 86 | L | 98.1 | Very high | 96.6 | Very high | 104 Ų | 104 | 111.1 Ų | 111.1 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.6 | -39 | 176.5 | -71.6 | 173.2 | 0 | 0 | 0 | 111.9 | E82 R83 L84 L89 K90 | E82-L86 HydrophobicContact CG-CD1 4.31Å; E82-L86 WeakPolarHBondContact O-CG 3.44Å; E82-L86 PolarHBondContact O-N 3.25Å; R83-L86 PolarHBondContact O-N 3.5Å; L84-L86 PolarHBondContact O-N 3.48Å; L86-L89 PolarHBondContact O-N 3.4Å; L86-K90 VanDerWaalsContact O-CB 3.31Å; L86-K90 WeakPolarHBondContact O-CB 3.31Å; L86-K90 PolarHBondContact O-N 2.95Å |
| 87 | E | 98 | Very high | 96.7 | Very high | 82 Ų | 82 | 108 Ų | 108 | 38% | 0.383 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 174.5 | -165.6 | 66.7 | -140.3 | 0 | 0 | 111.5 | R83 L84 L89 K90 Q91 | R83-E87 PolarHBondContact O-N 2.94Å; L84-E87 PolarHBondContact O-N 3.49Å; E87-L89 PolarHBondContact O-N 3.34Å; E87-K90 PolarHBondContact O-N 3.43Å; E87-Q91 WeakPolarHBondContact O-CB 3.42Å; E87-Q91 PolarHBondContact O-N 2.96Å |
| 88 | E | 97.8 | Very high | 96.5 | Very high | 127 Ų | 127 | 104 Ų | 104 | 59% | 0.593 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62 | -43.4 | 174.4 | -73.8 | 178.1 | -175.5 | 0 | 0 | 112 | L84 L85 Q91 V92 | L84-E88 WeakPolarHBondContact O-CG 3.35Å; L84-E88 PolarHBondContact O-N 3.47Å; L85-E88 PolarHBondContact O-N 2.96Å; E88-Q91 PolarHBondContact O-N 3.35Å; E88-V92 VanDerWaalsContact O-CG2 3.3Å; E88-V92 WeakPolarHBondContact O-CG2 3.16Å; E88-V92 PolarHBondContact O-N 3.47Å |
| 89 | L | 98 | Very high | 96.1 | Very high | 103 Ų | 103 | 104.7 Ų | 104.7 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 176.6 | -75.8 | 173.9 | 0 | 0 | 0 | 112.1 | L85 L86 E87 V92 H93 | L85-L89 HydrophobicContact CG-CD1 4.46Å; L85-L89 WeakPolarHBondContact O-CG 3.39Å; L85-L89 PolarHBondContact O-N 3.03Å; L86-L89 PolarHBondContact O-N 3.4Å; E87-L89 PolarHBondContact O-N 3.34Å; L89-V92 PolarHBondContact O-N 3.06Å; L89-H93 WeakPolarHBondContact O-CB 3.49Å; L89-H93 PolarHBondContact O-N 2.86Å |
| 90 | K | 98.1 | Very high | 95.9 | Very high | 90 Ų | 90 | 107.4 Ų | 107.4 | 39% | 0.391 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -48 | 174.4 | -178.2 | -176.7 | 170.5 | -168.9 | 0 | 110.7 | L86 E87 V92 H93 E94 | L86-K90 VanDerWaalsContact O-CB 3.31Å; L86-K90 WeakPolarHBondContact O-CB 3.31Å; L86-K90 PolarHBondContact O-N 2.95Å; E87-K90 PolarHBondContact O-N 3.43Å; K90-V92 VanDerWaalsContact C-N 3.35Å; K90-V92 PolarHBondContact O-N 2.96Å; K90-H93 WeakPolarHBondContact O-CB 3.36Å; K90-H93 PolarHBondContact O-N 2.82Å; K90-H93 VanDerWaalsContact O-N 3.11Å; K90-E94 WeakPolarHBondContact CE-OE1 3.42Å; K90-E94 WeakPolarHBondContact O-CG 3.31Å; K90-E94 PolarHBondContact O-N 3.5Å |
| 91 | Q | 97.6 | Very high | 95.4 | Very high | 91 Ų | 91 | 108.6 Ų | 108.6 | 43% | 0.425 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 175.9 | -173.3 | 65 | 48.8 | 0 | 0 | 111.9 | E87 E88 H93 E94 D95 | E87-Q91 WeakPolarHBondContact O-CB 3.42Å; E87-Q91 PolarHBondContact O-N 2.96Å; E88-Q91 PolarHBondContact O-N 3.35Å; Q91-H93 VanDerWaalsContact C-N 3.29Å; Q91-H93 PolarHBondContact O-N 2.86Å; Q91-E94 PolarHBondContact O-N 3.39Å; Q91-D95 PolarHBondContact NE2-OD1 3.19Å; Q91-D95 WeakPolarHBondContact O-CB 3.43Å; Q91-D95 VanDerWaalsContact O-CG 3.29Å; Q91-D95 PolarHBondContact O-N 3.47Å |
| 92 | V | 97.2 | Very high | 94.6 | Very high | 73 Ų | 73 | 109.3 Ų | 109.3 | 44% | 0.442 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 176.7 | 169.1 | 0 | 0 | 0 | 0 | 111.8 | E88 L89 K90 R96 | E88-V92 VanDerWaalsContact O-CG2 3.3Å; E88-V92 WeakPolarHBondContact O-CG2 3.16Å; E88-V92 PolarHBondContact O-N 3.47Å; L89-V92 PolarHBondContact O-N 3.06Å; K90-V92 VanDerWaalsContact C-N 3.35Å; K90-V92 PolarHBondContact O-N 2.96Å; V92-R96 WeakPolarHBondContact O-CB 3.34Å; V92-R96 PolarHBondContact O-N 3.34Å |
| 93 | H | 97 | Very high | 93.4 | Very high | 117 Ų | 117 | 110.3 Ų | 110.3 | 54% | 0.542 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.8 | -48.3 | 174.9 | -178.9 | 74.7 | 0 | 0 | 0 | 111.2 | L89 K90 Q91 D95 R96 V97 | L89-H93 WeakPolarHBondContact O-CB 3.49Å; L89-H93 PolarHBondContact O-N 2.86Å; K90-H93 WeakPolarHBondContact O-CB 3.36Å; K90-H93 PolarHBondContact O-N 2.82Å; K90-H93 VanDerWaalsContact O-N 3.11Å; Q91-H93 VanDerWaalsContact C-N 3.29Å; Q91-H93 PolarHBondContact O-N 2.86Å; H93-D95 VanDerWaalsContact C-N 3.34Å; H93-D95 PolarHBondContact O-N 3.4Å; H93-R96 CarbonylContact O-C 3.58Å; H93-R96 WeakPolarHBondContact O-CA 3.36Å; H93-R96 WeakPolarHBondContact O-CB 3.44Å; H93-R96 PolarHBondContact O-N 3.19Å; H93-V97 WeakPolarHBondContact O-CG2 3.35Å; H93-V97 PolarHBondContact O-N 3.31Å |
| 94 | E | 96.4 | Very high | 92.2 | Very high | 89 Ų | 89 | 112.4 Ų | 112.4 | 42% | 0.416 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.5 | -44 | 175.3 | -71.9 | 178.3 | -174.7 | 0 | 0 | 111.4 | K90 Q91 R96 V97 A98 | K90-E94 WeakPolarHBondContact CE-OE1 3.42Å; K90-E94 WeakPolarHBondContact O-CG 3.31Å; K90-E94 PolarHBondContact O-N 3.5Å; Q91-E94 PolarHBondContact O-N 3.39Å; E94-R96 VanDerWaalsContact C-N 3.27Å; E94-R96 PolarHBondContact O-N 3.13Å; E94-V97 PolarHBondContact O-N 3.35Å; E94-A98 VanDerWaalsContact O-CB 3.24Å; E94-A98 WeakPolarHBondContact O-CB 3.23Å; E94-A98 PolarHBondContact O-N 2.92Å |
| 95 | D | 95.3 | Very high | 91.1 | Very high | 79 Ų | 79 | 112.1 Ų | 112.1 | 42% | 0.422 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63 | -31.7 | 174.1 | -77.2 | 3.6 | 0 | 0 | 0 | 112.7 | Q91 H93 R99 | Q91-D95 PolarHBondContact NE2-OD1 3.19Å; Q91-D95 WeakPolarHBondContact O-CB 3.43Å; Q91-D95 VanDerWaalsContact O-CG 3.29Å; Q91-D95 PolarHBondContact O-N 3.47Å; H93-D95 VanDerWaalsContact C-N 3.34Å; H93-D95 PolarHBondContact O-N 3.4Å; D95-R99 WeakPolarHBondContact O-CB 3.44Å; D95-R99 VanDerWaalsContact O-CG 3.3Å; D95-R99 WeakPolarHBondContact O-CG 3.37Å; D95-R99 PolarHBondContact O-N 2.97Å; D95-R99 PolarHBondContact O-NE 3.41Å; D95-R99 VanDerWaalsContact O-NE 3.12Å |
| 96 | R | 94.2 | Very high | 89.8 | Confident | 162 Ų | 162 | 112.5 Ų | 112.5 | 61% | 0.611 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -73.2 | -45.6 | 174.8 | -174.9 | -174.6 | -64 | -167.3 | -0.6 | 110.7 | V92 H93 E94 R99 H100 | V92-R96 WeakPolarHBondContact O-CB 3.34Å; V92-R96 PolarHBondContact O-N 3.34Å; H93-R96 CarbonylContact O-C 3.58Å; H93-R96 WeakPolarHBondContact O-CA 3.36Å; H93-R96 WeakPolarHBondContact O-CB 3.44Å; H93-R96 PolarHBondContact O-N 3.19Å; E94-R96 VanDerWaalsContact C-N 3.27Å; E94-R96 PolarHBondContact O-N 3.13Å; R96-R99 PolarHBondContact O-N 3.46Å; R96-H100 WeakPolarHBondContact O-CB 3.39Å; R96-H100 PolarHBondContact O-N 3.31Å |
| 97 | V | 92.4 | Very high | 88.4 | Confident | 75 Ų | 75 | 114 Ų | 114 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 176.8 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | H93 E94 R99 H100 N101 | H93-V97 WeakPolarHBondContact O-CG2 3.35Å; H93-V97 PolarHBondContact O-N 3.31Å; E94-V97 PolarHBondContact O-N 3.35Å; V97-R99 VanDerWaalsContact C-N 3.28Å; V97-R99 PolarHBondContact O-N 3.08Å; V97-H100 PolarHBondContact O-N 3.32Å; V97-H100 VanDerWaalsContact O-N 3.13Å; V97-N101 WeakPolarHBondContact O-CB 3.26Å; V97-N101 PolarHBondContact O-N 3.34Å |
| 98 | A | 91.2 | Very high | 87.3 | Confident | 56 Ų | 56 | 115.8 Ų | 115.8 | 46% | 0.463 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.6 | -34.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E94 | E94-A98 VanDerWaalsContact O-CB 3.24Å; E94-A98 WeakPolarHBondContact O-CB 3.23Å; E94-A98 PolarHBondContact O-N 2.92Å |
| 99 | R | 88.8 | Confident | 86.1 | Confident | 156 Ų | 156 | 116 Ų | 116 | 59% | 0.589 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -74.7 | -35.7 | 172.9 | -77.6 | -177.3 | -70.5 | 173.3 | -4.7 | 113.2 | D95 R96 V97 R102 | D95-R99 WeakPolarHBondContact O-CB 3.44Å; D95-R99 VanDerWaalsContact O-CG 3.3Å; D95-R99 WeakPolarHBondContact O-CG 3.37Å; D95-R99 PolarHBondContact O-N 2.97Å; D95-R99 PolarHBondContact O-NE 3.41Å; D95-R99 VanDerWaalsContact O-NE 3.12Å; R96-R99 PolarHBondContact O-N 3.46Å; V97-R99 VanDerWaalsContact C-N 3.28Å; V97-R99 PolarHBondContact O-N 3.08Å; R99-R102 PolarHBondContact O-N 3.37Å |
| 100 | H | 88.2 | Confident | 84.8 | Confident | 168 Ų | 168 | 119.6 Ų | 119.6 | 78% | 0.778 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -71.9 | -32.9 | 177.9 | -170.4 | -79 | 0 | 0 | 0 | 112 | R96 V97 R102 | R96-H100 WeakPolarHBondContact O-CB 3.39Å; R96-H100 PolarHBondContact O-N 3.31Å; V97-H100 PolarHBondContact O-N 3.32Å; V97-H100 VanDerWaalsContact O-N 3.13Å; H100-R102 PolarHBondContact O-N 3.13Å |
| 101 | N | 85.1 | Confident | 83.2 | Confident | 133 Ų | 133 | 117.9 Ų | 117.9 | 71% | 0.711 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -76.2 | -12 | 177.6 | -159.6 | 32.7 | 0 | 0 | 0 | 113.3 | V97 Q103 | V97-N101 WeakPolarHBondContact O-CB 3.26Å; V97-N101 PolarHBondContact O-N 3.34Å; N101-Q103 PolarHBondContact O-N 3.49Å; N101-Q103 VanDerWaalsContact O-N 3.09Å |
| 102 | R | 81.6 | Confident | 81.6 | Confident | 153 Ų | 153 | 121.3 Ų | 121.3 | 58% | 0.577 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -73.8 | 98.4 | 162.7 | -68.4 | 179.2 | -175.3 | -170.2 | -1.4 | 106.4 | R99 H100 E104 Y107 | R99-R102 PolarHBondContact O-N 3.37Å; H100-R102 PolarHBondContact O-N 3.13Å; R102-E104 PolarHBondContact O-N 2.9Å; R102-Y107 HydrophobicContact CB-CE2 4.35Å |
| 103 | Q | 72.5 | Confident | 79.7 | Confident | 132 Ų | 132 | 120.7 Ų | 120.7 | 62% | 0.617 | 62% | 0.624 | S | S | * | * | | | trans | -53.3 | 142.3 | 174.7 | -79.6 | -176.6 | -35.7 | 0 | 0 | 108.4 | N101 S105 D106 | N101-Q103 PolarHBondContact O-N 3.49Å; N101-Q103 VanDerWaalsContact O-N 3.09Å; Q103-S105 WeakPolarHBondContact CB-OG 3.46Å; Q103-S105 PolarHBondContact O-N 3.36Å; Q103-S105 PolarHBondContact OE1-OG 3.32Å; Q103-D106 WeakPolarHBondContact O-CB 3.34Å; Q103-D106 PolarHBondContact O-N 2.93Å |
| 104 | E | 72.3 | Confident | 78 | Confident | 183 Ų | 183 | 120.7 Ų | 120.7 | 86% | 0.855 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -54.2 | -21.7 | 174.3 | -64.3 | -179.8 | 167.7 | 0 | 0 | 111.9 | R102 D106 Y107 | R102-E104 PolarHBondContact O-N 2.9Å; E104-D106 VanDerWaalsContact C-N 3.31Å; E104-D106 PolarHBondContact O-N 2.8Å; E104-Y107 PolarHBondContact O-N 2.66Å |
| 105 | S | 75.1 | Confident | 76.3 | Confident | 83 Ų | 83 | 126 Ų | 126 | 58% | 0.58 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -66.5 | -23 | 172.9 | 54.5 | 0 | 0 | 0 | 0 | 115.1 | Q103 Y107 | Q103-S105 WeakPolarHBondContact CB-OG 3.46Å; Q103-S105 PolarHBondContact O-N 3.36Å; Q103-S105 PolarHBondContact OE1-OG 3.32Å; S105-Y107 PolarHBondContact O-N 3.39Å |
| 106 | D | 71.9 | Confident | 74.4 | Confident | 107 Ų | 107 | 128.3 Ų | 128.3 | 57% | 0.572 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -78.9 | -13.8 | 179 | -63 | -19.1 | 0 | 0 | 0 | 111.9 | Q103 E104 T108 | Q103-D106 WeakPolarHBondContact O-CB 3.34Å; Q103-D106 PolarHBondContact O-N 2.93Å; E104-D106 VanDerWaalsContact C-N 3.31Å; E104-D106 PolarHBondContact O-N 2.8Å; D106-T108 VanDerWaalsContact C-N 3.33Å; D106-T108 PolarHBondContact O-N 2.91Å; D106-T108 VanDerWaalsContact O-N 3.12Å |
| 107 | Y | 67.2 | Low | 72.6 | Confident | 134 Ų | 134 | 123.8 Ų | 123.8 | 53% | 0.525 | 69% | 0.685 | S | S | . | * | | | trans | -83.4 | 82.7 | 169.1 | -62.5 | -86.7 | 0 | 0 | 0 | 108.5 | R102 E104 S105 V109 | R102-Y107 HydrophobicContact CB-CE2 4.35Å; E104-Y107 PolarHBondContact O-N 2.66Å; S105-Y107 PolarHBondContact O-N 3.39Å; Y107-V109 VanDerWaalsContact C-N 3.27Å; Y107-V109 PolarHBondContact O-N 3.31Å |
| 108 | T | 75 | Confident | 71.1 | Confident | 120 Ų | 120 | 124.7 Ų | 124.7 | 74% | 0.736 | 70% | 0.701 | S | S | * | * | | | trans | -62.4 | 101.7 | 155.3 | 52.2 | 0 | 0 | 0 | 0 | 106.2 | D106 E110 | D106-T108 VanDerWaalsContact C-N 3.33Å; D106-T108 PolarHBondContact O-N 2.91Å; D106-T108 VanDerWaalsContact O-N 3.12Å; T108-E110 PolarHBondContact O-N 3.29Å |
| 109 | V | 73.9 | Confident | 69.3 | Low | 132 Ų | 132 | 128 Ų | 128 | 80% | 0.8 | 72% | 0.72 | S | S | * | * | | | trans | -60 | 91.7 | 164.1 | 174.2 | 0 | 0 | 0 | 0 | 105.2 | Y107 G111 | Y107-V109 VanDerWaalsContact C-N 3.27Å; Y107-V109 PolarHBondContact O-N 3.31Å; V109-G111 PolarHBondContact O-N 3.28Å |
| 110 | E | 70.5 | Confident | 67.9 | Low | 178 Ų | 178 | 123.8 Ų | 123.8 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | | | trans | -60.9 | 89.4 | 154 | -79 | -161.2 | 168.7 | 0 | 0 | 104.6 | T108 I112 | T108-E110 PolarHBondContact O-N 3.29Å; E110-I112 VanDerWaalsContact C-N 3.29Å; E110-I112 PolarHBondContact O-N 3.3Å |
| 111 | G | 63.2 | Low | 66.7 | Low | 55 Ų | 55 | 123.8 Ų | 123.8 | 57% | 0.567 | 73% | 0.731 | S | S | * | * | | | trans | -54.7 | 106.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 104.7 | V109 G113 | V109-G111 PolarHBondContact O-N 3.28Å; G111-G113 PolarHBondContact O-N 3.23Å |
| 112 | I | 65.4 | Low | 65.9 | Low | 162 Ų | 162 | 124.8 Ų | 124.8 | 83% | 0.831 | 74% | 0.736 | S | S | * | * | | | trans | -50.2 | 102.8 | 159 | -64.6 | 169.2 | 0 | 0 | 0 | 103 | E110 S114 | E110-I112 VanDerWaalsContact C-N 3.29Å; E110-I112 PolarHBondContact O-N 3.3Å; I112-S114 PolarHBondContact O-N 3.14Å |
| 113 | G | 57.5 | Low | 64.9 | Low | 60 Ų | 60 | 125.3 Ų | 125.3 | 62% | 0.619 | 75% | 0.751 | S | S | * | * | | | trans | -51 | 113.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | G111 K115 | G111-G113 PolarHBondContact O-N 3.23Å; G113-K115 PolarHBondContact O-N 3.39Å |
| 114 | S | 60.2 | Low | 64.4 | Low | 118 Ų | 118 | 130.6 Ų | 130.6 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | trans | -54.3 | 92.9 | 163 | -59.8 | 0 | 0 | 0 | 0 | 104.9 | I112 S116 | I112-S114 PolarHBondContact O-N 3.14Å; S114-S116 PolarHBondContact O-N 3.18Å |
| 115 | K | 61.4 | Low | 63.7 | Low | 200 Ų | 200 | 127 Ų | 127 | 87% | 0.87 | 76% | 0.76 | S | S | * | * | | | trans | -58.6 | 105.1 | 162.5 | -80.7 | -176.8 | 173 | -179.8 | 0 | 103.3 | G113 G117 | G113-K115 PolarHBondContact O-N 3.39Å; K115-G117 PolarHBondContact O-N 3.17Å |
| 116 | S | 55 | Low | 62.7 | Low | 127 Ų | 127 | 131.1 Ų | 131.1 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | | | trans | -57.5 | 75.6 | 161.4 | 38.7 | 0 | 0 | 0 | 0 | 107.6 | S114 | S114-S116 PolarHBondContact O-N 3.18Š|
| 117 | G | 57.1 | Low | 62.1 | Low | 67 Ų | 67 | 136 Ų | 136 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | | | trans | -97.2 | 113.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | K115 | K115-G117 PolarHBondContact O-N 3.17Š|
| 118 | A | 59.8 | Low | 61.7 | Low | 95 Ų | 95 | 133.8 Ų | 133.8 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -48.3 | 142.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 119 | S | 53.8 | Low | 60.9 | Low | 124 Ų | 124 | 133.7 Ų | 133.7 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | | | | 50.6 | 99.4 | 127.9 | 176.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 120 | G | 59.9 | Low | 59.9 | Low | 69 Ų | 69 | 133.2 Ų | 133.2 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | trans | -169.6 | 98.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | D122 | G120-D122 PolarHBondContact O-N 3.08Å; G120-D122 VanDerWaalsContact O-N 3.08Å |
| 121 | D | 62.2 | Low | 59.2 | Low | 167 Ų | 167 | 128.9 Ų | 128.9 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | | | trans | -53.7 | 106.3 | 167.5 | -75.7 | -39.2 | 0 | 0 | 0 | 109.3 | | |
| 122 | D | 67.8 | Low | 59 | Low | 154 Ų | 154 | 135.2 Ų | 135.2 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | -148.4 | 94 | 162.1 | -90.2 | -36.7 | 0 | 0 | 0 | 109.4 | G120 R124 | G120-D122 PolarHBondContact O-N 3.08Å; G120-D122 VanDerWaalsContact O-N 3.08Å; D122-R124 VanDerWaalsContact C-N 3.27Å; D122-R124 PolarHBondContact O-N 3.13Å |
| 123 | D | 62.1 | Low | 58.6 | Low | 165 Ų | 165 | 134.2 Ų | 134.2 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | | | trans | -62.4 | 83.5 | 165.8 | -80.5 | -35.8 | 0 | 0 | 0 | 109.9 | | |
| 124 | R | 60.9 | Low | 58.9 | Low | 243 Ų | 243 | 136.5 Ų | 136.5 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | | | trans | -167.4 | 131.2 | 160.3 | -103.5 | 143.7 | -168.3 | -140.7 | 5.7 | 111.1 | D122 | D122-R124 VanDerWaalsContact C-N 3.27Å; D122-R124 PolarHBondContact O-N 3.13Å |
| 125 | S | 57.8 | Low | 59.2 | Low | 107 Ų | 107 | 137.1 Ų | 137.1 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | 93.2 | 64.1 | 160.2 | -164 | 0 | 0 | 0 | 0 | 117.9 | Y127 | S125-Y127 PolarHBondContact O-N 3.34Š|
| 126 | L | 54.8 | Low | 59.5 | Low | 170 Ų | 170 | 133.3 Ų | 133.3 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | | | trans | -91.5 | 71 | 153 | -74.8 | 170.8 | 0 | 0 | 0 | 110.6 | | |
| 127 | Y | 59.3 | Low | 59.5 | Low | 210 Ų | 210 | 134.1 Ų | 134.1 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | trans | -111.5 | 79.1 | 150.4 | -80.6 | -80.8 | 0 | 0 | 0 | 107.1 | S125 V129 | S125-Y127 PolarHBondContact O-N 3.34Å; Y127-V129 VanDerWaalsContact C-N 3.27Å; Y127-V129 PolarHBondContact O-N 3.2Å |
| 128 | A | 58.9 | Low | 59.3 | Low | 86 Ų | 86 | 133.5 Ų | 133.5 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | trans | -68.7 | 92.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | V130 | A128-V130 PolarHBondContact O-N 3.35Š|
| 129 | V | 56.8 | Low | 59.1 | Low | 119 Ų | 119 | 136.4 Ų | 136.4 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | | | trans | -63.1 | 102.5 | 164 | 172.5 | 0 | 0 | 0 | 0 | 106.5 | Y127 S131 | Y127-V129 VanDerWaalsContact C-N 3.27Å; Y127-V129 PolarHBondContact O-N 3.2Å; V129-S131 PolarHBondContact O-N 3.22Å |
| 130 | V | 54.7 | Low | 59.2 | Low | 121 Ų | 121 | 137.3 Ų | 137.3 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | | | trans | -71.1 | 78.6 | 170.2 | -177.9 | 0 | 0 | 0 | 0 | 107.7 | A128 K132 | A128-V130 PolarHBondContact O-N 3.35Å; V130-K132 HydrophobicContact CG1-CG 4.38Å; V130-K132 PolarHBondContact O-N 3.06Å |
| 131 | S | 53.8 | Low | 59.2 | Low | 87 Ų | 87 | 144.6 Ų | 144.6 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | | | trans | -76.7 | 101.7 | 163.9 | -82.4 | 0 | 0 | 0 | 0 | 107.7 | V129 I133 | V129-S131 PolarHBondContact O-N 3.22Å; S131-I133 VanDerWaalsContact C-N 3.27Å; S131-I133 PolarHBondContact O-N 3.5Å |
| 132 | K | 60.5 | Low | 59 | Low | 189 Ų | 189 | 143.3 Ų | 143.3 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | trans | -66.1 | 88.4 | 167.3 | -70.1 | -175.1 | 177.6 | -177.7 | 0 | 108.8 | V130 S134 | V130-K132 HydrophobicContact CG1-CG 4.38Å; V130-K132 PolarHBondContact O-N 3.06Å; K132-S134 PolarHBondContact O-N 3.39Å |
| 133 | I | 56.3 | Low | 58.4 | Low | 140 Ų | 140 | 144.9 Ų | 144.9 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | | | trans | -85.5 | 96.8 | 162.3 | -58.9 | 172.3 | 0 | 0 | 0 | 105.4 | S131 I135 | S131-I133 VanDerWaalsContact C-N 3.27Å; S131-I133 PolarHBondContact O-N 3.5Å; I133-I135 HydrophobicContact CG2-CG1 4.26Å; I133-I135 PolarHBondContact O-N 3.15Å; I133-I135 VanDerWaalsContact O-N 3.09Å |
| 134 | S | 64.2 | Low | 57.9 | Low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | -65 | 105.4 | 164.6 | -65.2 | 0 | 0 | 0 | 0 | 107.4 | K132 P136 | K132-S134 PolarHBondContact O-N 3.39Å; S134-P136 VanDerWaalsContact O-CD 3.27Å; S134-P136 WeakPolarHBondContact O-CD 3.45Å |
| 135 | I | 65.9 | Low | 57.6 | Low | 132 Ų | 132 | 141.1 Ų | 141.1 | 68% | 0.677 | 77% | 0.77 | S | S | * | * | | | trans | -78.4 | 115.4 | 169 | -58.2 | 173.8 | 0 | 0 | 0 | 106.3 | I133 T137 | I133-I135 HydrophobicContact CG2-CG1 4.26Å; I133-I135 PolarHBondContact O-N 3.15Å; I133-I135 VanDerWaalsContact O-N 3.09Å; I135-T137 PolarHBondContact O-N 3.02Å; I135-T137 VanDerWaalsContact O-N 3.12Å |
| 136 | P | 67.9 | Low | 57.7 | Low | 119 Ų | 119 | 144.2 Ų | 144.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | -75 | 99.1 | 171 | 30.3 | -31.2 | 0 | 0 | 0 | 108.7 | S134 G138 | S134-P136 VanDerWaalsContact O-CD 3.27Å; S134-P136 WeakPolarHBondContact O-CD 3.45Å; P136-G138 PolarHBondContact O-N 3.15Å |
| 137 | T | 55.1 | Low | 57.3 | Low | 145 Ų | 145 | 145.6 Ų | 145.6 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | | | trans | -79.3 | 72.5 | 160.5 | 33.2 | 0 | 0 | 0 | 0 | 108.7 | I135 | I135-T137 PolarHBondContact O-N 3.02Å; I135-T137 VanDerWaalsContact O-N 3.12Å |
| 138 | G | 52.2 | Low | 57.4 | Low | 54 Ų | 54 | 139.8 Ų | 139.8 | 56% | 0.557 | 77% | 0.772 | S | S | * | * | | | trans | -114.9 | 96 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P136 D140 | P136-G138 PolarHBondContact O-N 3.15Å; G138-D140 PolarHBondContact O-N 3.33Å |
| 139 | N | 55.6 | Low | 57.2 | Low | 156 Ų | 156 | 145.6 Ų | 145.6 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | | | trans | -74.1 | 63.8 | 169.1 | -104 | -11.1 | 0 | 0 | 0 | 109.7 | R141 | N139-R141 PolarHBondContact O-N 3.38Š|
| 140 | D | 56.1 | Low | 57.5 | Low | 143 Ų | 143 | 145.8 Ų | 145.8 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | | | trans | -94 | 81.6 | 170.8 | -73.6 | -21.3 | 0 | 0 | 0 | 109.3 | G138 N142 | G138-D140 PolarHBondContact O-N 3.33Å; D140-N142 PolarHBondContact O-N 3.26Å |
| 141 | R | 59.6 | Low | 57.8 | Low | 222 Ų | 222 | 144.3 Ų | 144.3 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | trans | -70.7 | 76.2 | 157 | -69.4 | -176.3 | -177.7 | -176.2 | 1.2 | 108.5 | N139 | N139-R141 PolarHBondContact O-N 3.38Š|
| 142 | N | 59.5 | Low | 57.6 | Low | 140 Ų | 140 | 149.5 Ų | 149.5 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | | | trans | -133.2 | 85.6 | 163.9 | -81.7 | -35.4 | 0 | 0 | 0 | 109.8 | D140 | D140-N142 PolarHBondContact O-N 3.26Š|
| 143 | F | 54.3 | Low | 57.9 | Low | 186 Ų | 186 | 146.9 Ų | 146.9 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | | | trans | 28.1 | 109.6 | 142.5 | -73.5 | -89.2 | 0 | 0 | 0 | 117.7 | K145 | F143-K145 VanDerWaalsContact C-N 3.32Å; F143-K145 PolarHBondContact O-N 3.25Å |
| 144 | C | 50.7 | Low | 57.5 | Low | 127 Ų | 127 | 149.1 Ų | 149.1 | 86% | 0.858 | 81% | 0.807 | S | S | * | * | | | trans | -49.6 | 98.4 | 145.8 | -68.2 | 0 | 0 | 0 | 0 | 109.1 | M146 | C144-M146 PolarHBondContact O-N 3.39Š|
| 145 | K | 55.4 | Low | 57.4 | Low | 202 Ų | 202 | 149.5 Ų | 149.5 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | | | trans | -78.6 | 97.2 | 165.4 | -166.4 | 170.8 | -176.9 | 180 | 0 | 106.5 | F143 E147 | F143-K145 VanDerWaalsContact C-N 3.32Å; F143-K145 PolarHBondContact O-N 3.25Å; K145-E147 PolarHBondContact O-N 2.99Å |
| 146 | M | 60.8 | Low | 57.2 | Low | 173 Ų | 173 | 148.7 Ų | 148.7 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | | | trans | -54 | 132.1 | 170.3 | -71.2 | -160.1 | -156.6 | 0 | 0 | 109.8 | C144 A148 | C144-M146 PolarHBondContact O-N 3.39Å; M146-A148 PolarHBondContact O-N 3.15Å |
| 147 | E | 45.5 | Very low | 56.2 | Low | 198 Ų | 198 | 150.6 Ų | 150.6 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | | | trans | -57 | 107.3 | 168.6 | -165.7 | -179.7 | 178.3 | 0 | 0 | 109.4 | K145 | K145-E147 PolarHBondContact O-N 2.99Š|
| 148 | A | 62.1 | Low | 56.4 | Low | 88 Ų | 88 | 151.9 Ų | 151.9 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | | | trans | -123.3 | 108.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | M146 P150 | M146-A148 PolarHBondContact O-N 3.15Å; A148-P150 WeakPolarHBondContact O-CD 3.48Å |
| 149 | K | 54.9 | Low | 56.8 | Low | 208 Ų | 208 | 154.4 Ų | 154.4 | 90% | 0.904 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 118.2 | 171.3 | -163.4 | -179.7 | -169 | -178.7 | 0 | 110.4 | | |
| 150 | P | 63.2 | Low | 56.9 | Low | 123 Ų | 123 | 153.1 Ų | 153.1 | 80% | 0.799 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 127 | 168.1 | 30.5 | -22.1 | 0 | 0 | 0 | 109.5 | A148 | A148-P150 WeakPolarHBondContact O-CD 3.48Š|
| 151 | A | 59.1 | Low | 56.6 | Low | 90 Ų | 90 | 154.3 Ų | 154.3 | 74% | 0.744 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 152.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V153 | A151-V153 PolarHBondContact O-N 3.16Š|
| 152 | E | 49.6 | Very low | 55.8 | Low | 197 Ų | 197 | 153.2 Ų | 153.2 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 119.7 | 174.2 | -60.8 | 174.4 | 160.1 | 0 | 0 | 111.7 | | |
| 153 | V | 67 | Low | 55.5 | Low | 134 Ų | 134 | 153.1 Ų | 153.1 | 81% | 0.812 | 83% | 0.833 | S | S | * | * | | | trans | -140.6 | 129.5 | 160.2 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | A151 | A151-V153 PolarHBondContact O-N 3.16Š|
| 154 | E | 49.5 | Very low | 55.4 | Low | 186 Ų | 186 | 150.1 Ų | 150.1 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -47 | 137.7 | -175.9 | -66.1 | 168.7 | 130 | 0 | 0 | 114.5 | | |
| 155 | S | 60.8 | Low | 55 | Low | 116 Ų | 116 | 151.3 Ų | 151.3 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 123.7 | 173 | -48.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 156 | P | 62 | Low | 54.7 | Low | 116 Ų | 116 | 146 Ų | 146 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 132.3 | 163 | 31.3 | -28.2 | 0 | 0 | 0 | 110.3 | L158 | P156-L158 PolarHBondContact O-N 3.46Š|
| 157 | N | 47 | Very low | 53.8 | Low | 159 Ų | 159 | 148.4 Ų | 148.4 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | | | trans | -40.1 | 121.6 | 170.9 | -76.5 | -67.3 | 0 | 0 | 0 | 113.5 | | |
| 158 | L | 59.8 | Low | 54 | Low | 171 Ų | 171 | 144.9 Ų | 144.9 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | | | trans | -130.5 | 114.1 | 157.2 | -70.3 | 177.1 | 0 | 0 | 0 | 109.3 | P156 | P156-L158 PolarHBondContact O-N 3.46Š|
| 159 | S | 60.3 | Low | 53.1 | Low | 107 Ų | 107 | 147 Ų | 147 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 153.2 | -177 | -46 | 0 | 0 | 0 | 0 | 113 | L161 | S159-L161 PolarHBondContact O-N 3.27Š|
| 160 | P | 57.7 | Low | 52.8 | Low | 130 Ų | 130 | 144.6 Ų | 144.6 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 124.3 | 174.8 | -8.5 | 24.5 | 0 | 0 | 0 | 110.2 | Y162 | P160-Y162 PolarHBondContact O-N 2.88Š|
| 161 | L | 50.3 | Low | 52.1 | Low | 168 Ų | 168 | 142.8 Ų | 142.8 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -62 | 119.6 | 171.5 | -93 | 163.4 | 0 | 0 | 0 | 110.3 | S159 V163 | S159-L161 PolarHBondContact O-N 3.27Å; L161-V163 PolarHBondContact O-N 3.32Å |
| 162 | Y | 41.6 | Very low | 51.5 | Low | 198 Ų | 198 | 144.1 Ų | 144.1 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -65.7 | 112 | 171.9 | -151.2 | -98.1 | 0 | 0 | 0 | 109.1 | P160 N164 | P160-Y162 PolarHBondContact O-N 2.88Å; Y162-N164 WeakPolarHBondContact CD1-OD1 3.42Å; Y162-N164 VanDerWaalsContact CE1-OD1 3.23Å; Y162-N164 WeakPolarHBondContact CE1-OD1 3.18Å |
| 163 | V | 53.5 | Low | 51.8 | Low | 138 Ų | 138 | 139.4 Ų | 139.4 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | | | trans | -94.3 | 107.2 | 169.2 | -177.4 | 0 | 0 | 0 | 0 | 107.5 | L161 | L161-V163 PolarHBondContact O-N 3.32Š|
| 164 | N | 52 | Low | 50.5 | Low | 124 Ų | 124 | 140.1 Ų | 140.1 | 66% | 0.663 | 78% | 0.784 | S | S | * | * | | | trans | -68.8 | 143.2 | 177.6 | -92 | -30.5 | 0 | 0 | 0 | 112.3 | Y162 A166 | Y162-N164 WeakPolarHBondContact CD1-OD1 3.42Å; Y162-N164 VanDerWaalsContact CE1-OD1 3.23Å; Y162-N164 WeakPolarHBondContact CE1-OD1 3.18Å; N164-A166 PolarHBondContact O-N 2.99Å |
| 165 | D | 42 | Very low | 50.6 | Low | 151 Ų | 151 | 140.9 Ų | 140.9 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | | | trans | -37.5 | 122.2 | 165.3 | -94.9 | -38.2 | 0 | 0 | 0 | 113.8 | | |
| 166 | A | 50.2 | Low | 50.2 | Low | 90 Ų | 90 | 141 Ų | 141 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | | | trans | -111.7 | 95 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | N164 T168 | N164-A166 PolarHBondContact O-N 2.99Å; A166-T168 PolarHBondContact O-N 3.49Å; A166-T168 VanDerWaalsContact O-N 3.07Å |
| 167 | R | 42.2 | Very low | 49.1 | Very low | 224 Ų | 224 | 141.4 Ų | 141.4 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | | | trans | -62.9 | 97.6 | 165.8 | -74.6 | 176.9 | 167.3 | -175.5 | -4.4 | 109.5 | V169 | R167-V169 PolarHBondContact O-N 2.86Š|
| 168 | T | 50.1 | Low | 49 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | | | trans | -88 | 97.3 | 160.4 | 17.2 | 0 | 0 | 0 | 0 | 109 | A166 L170 | A166-T168 PolarHBondContact O-N 3.49Å; A166-T168 VanDerWaalsContact O-N 3.07Å; T168-L170 PolarHBondContact O-N 3.44Å; T168-L170 VanDerWaalsContact O-N 3.13Å |
| 169 | V | 42.7 | Very low | 48 | Very low | 132 Ų | 132 | 137 Ų | 137 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | | | trans | -67.2 | 98.7 | 164.9 | 179.1 | 0 | 0 | 0 | 0 | 107.2 | R167 | R167-V169 PolarHBondContact O-N 2.86Š|
| 170 | L | 48.3 | Very low | 47.2 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | -98.8 | 114.6 | 163.7 | -70.6 | 177 | 0 | 0 | 0 | 108.1 | T168 | T168-L170 PolarHBondContact O-N 3.44Å; T168-L170 VanDerWaalsContact O-N 3.13Å |
| 171 | S | 48.5 | Very low | 46.7 | Very low | 85 Ų | 85 | 141 Ų | 141 | 59% | 0.594 | 77% | 0.774 | S | S | * | * | | | trans | -53.8 | 148.9 | 179 | 49.2 | 0 | 0 | 0 | 0 | 113.1 | V173 | S171-V173 PolarHBondContact O-N 3.1Š|
| 172 | P | 47 | Very low | 46.3 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | | | trans | -67.8 | 118.4 | 169.7 | -1.5 | 17.9 | 0 | 0 | 0 | 108.6 | D174 | P172-D174 PolarHBondContact O-N 3.49Š|
| 173 | V | 55.4 | Low | 46.6 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 60% | 0.6 | 78% | 0.777 | S | S | * | * | | | trans | -84.1 | 110.4 | 166 | 172.6 | 0 | 0 | 0 | 0 | 107 | S171 Y175 | S171-V173 PolarHBondContact O-N 3.1Å; V173-Y175 HydrophobicContact CB-CE2 4.42Å; V173-Y175 HydrophobicContact CG1-CD2 4.34Å; V173-Y175 HydrophobicContact CG1-CE2 3.89Å; V173-Y175 PolarHBondContact O-N 3.48Å |
| 174 | D | 39.8 | Very low | 45.9 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 118.3 | 170.6 | -65.9 | -48.6 | 0 | 0 | 0 | 109.8 | P172 | P172-D174 PolarHBondContact O-N 3.49Š|
| 175 | Y | 51.9 | Low | 45.9 | Very low | 202 Ų | 202 | 138.2 Ų | 138.2 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 131.4 | 165.4 | -76 | -80.8 | 0 | 0 | 0 | 109.8 | V173 | V173-Y175 HydrophobicContact CB-CE2 4.42Å; V173-Y175 HydrophobicContact CG1-CD2 4.34Å; V173-Y175 HydrophobicContact CG1-CE2 3.89Å; V173-Y175 PolarHBondContact O-N 3.48Å |
| 176 | P | 52.6 | Low | 46.2 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 134 | -178.2 | 30 | -32.2 | 0 | 0 | 0 | 110.9 | A178 | P176-A178 PolarHBondContact O-N 3.07Å; P176-A178 VanDerWaalsContact O-N 3.1Å |
| 177 | T | 38.2 | Very low | 46.3 | Very low | 125 Ų | 125 | 142.2 Ų | 142.2 | 77% | 0.767 | 79% | 0.787 | S | S | * | * | | | trans | -49.5 | 105.8 | 163.6 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 178 | A | 45.4 | Very low | 46.3 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -96 | 96 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109 | P176 | P176-A178 PolarHBondContact O-N 3.07Å; P176-A178 VanDerWaalsContact O-N 3.1Å |
| 179 | N | 39.4 | Very low | 46.4 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | | | trans | -68.3 | 156.2 | 153.5 | -73.2 | -38.9 | 0 | 0 | 0 | 108.9 | | |
| 180 | L | 42.9 | Very low | 46.5 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | | | trans | 84.6 | 89.6 | 158.3 | -137.7 | 91.4 | 0 | 0 | 0 | 116.5 | | |
| 181 | L | 46.7 | Very low | 46.6 | Very low | 158 Ų | 158 | 145 Ų | 145 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | | | | -173.2 | 103.4 | 124.6 | -103.9 | 145.5 | 0 | 0 | 0 | 111.2 | | |
| 182 | E | 41.9 | Very low | 46.5 | Very low | 182 Ų | 182 | 148.8 Ų | 148.8 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | | | trans | -59.4 | 120.5 | 161.9 | -173.8 | 176.6 | -160.7 | 0 | 0 | 109.8 | | |
| 183 | N | 48.9 | Very low | 46.8 | Very low | 159 Ų | 159 | 154.7 Ų | 154.7 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | | | trans | 172.1 | 114.8 | 163.3 | -82.2 | -28.9 | 0 | 0 | 0 | 105.4 | | |
| 184 | G | 39.1 | Very low | 46.7 | Very low | 70 Ų | 70 | 156.5 Ų | 156.5 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | | | cis | 128.3 | 80.3 | 26.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 185 | I | 51.9 | Low | 47.1 | Very low | 157 Ų | 157 | 157.3 Ų | 157.3 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | | | trans | -146.4 | 86 | 162.3 | -47.3 | 178 | 0 | 0 | 0 | 108.8 | | |
| 186 | N | 47.8 | Very low | 47 | Very low | 163 Ų | 163 | 155.3 Ų | 155.3 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | | | trans | -85.4 | 114.2 | 170.5 | -71.6 | -30.4 | 0 | 0 | 0 | 109.1 | S188 | N186-S188 PolarHBondContact O-N 3.44Š|
| 187 | N | 51.4 | Low | 46.8 | Very low | 162 Ų | 162 | 155.8 Ų | 155.8 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | | | trans | -86.4 | 108.2 | 165.2 | -90.8 | -19.2 | 0 | 0 | 0 | 110.1 | | |
| 188 | S | 43.6 | Very low | 47.1 | Very low | 79 Ų | 79 | 157.1 Ų | 157.1 | 55% | 0.552 | 81% | 0.808 | S | S | * | * | | | trans | -59 | 130.5 | 175 | -173.4 | 0 | 0 | 0 | 0 | 112 | N186 | N186-S188 PolarHBondContact O-N 3.44Š|
| 189 | N | 51.1 | Low | 47 | Very low | 173 Ų | 173 | 159.4 Ų | 159.4 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | | | trans | -134.9 | 111.9 | 141.1 | -93.7 | -37.2 | 0 | 0 | 0 | 109.1 | | |
| 190 | R | 44.8 | Very low | 47.4 | Very low | 208 Ų | 208 | 159 Ų | 159 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -70.8 | 135.2 | -174.3 | -54 | 171.7 | -163.7 | 180 | 2.9 | 110.1 | | |
| 191 | Y | 51.2 | Low | 47.4 | Very low | 238 Ų | 238 | 155.7 Ų | 155.7 | 93% | 0.933 | 80% | 0.799 | S | S | * | * | | | trans | -146.1 | 134.4 | 133.6 | -86.1 | -71.7 | 0 | 0 | 0 | 110 | | |
| 192 | L | 46.2 | Very low | 47.3 | Very low | 164 Ų | 164 | 154.3 Ų | 154.3 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | | | trans | -67.3 | 141.2 | -169.4 | -71.4 | 122.5 | 0 | 0 | 0 | 113.7 | | |
| 193 | R | 51.9 | Low | 47.6 | Very low | 242 Ų | 242 | 151.5 Ų | 151.5 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | | | trans | -127.9 | 128.5 | 146.9 | -100.5 | -165 | -171 | -167.1 | 4.6 | 109.3 | | |
| 194 | T | 54.2 | Low | 47.4 | Very low | 136 Ų | 136 | 150.2 Ų | 150.2 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | | | trans | -69.4 | 136.7 | 174.7 | 29.2 | 0 | 0 | 0 | 0 | 112 | | |
| 195 | M | 48.4 | Very low | 47.9 | Very low | 167 Ų | 167 | 151.8 Ų | 151.8 | 82% | 0.823 | 79% | 0.793 | S | S | * | * | | | trans | -63 | 157.9 | 163.6 | -61 | -90.5 | 90.5 | 0 | 0 | 109.7 | | |
| 196 | E | 48.8 | Very low | 47.8 | Very low | 160 Ų | 160 | 153.4 Ų | 153.4 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | | | | -175.9 | 143.2 | 72.2 | -108.8 | -168.8 | 117.1 | 0 | 0 | 112.1 | | |
| 197 | L | 48.2 | Very low | 47.6 | Very low | 127 Ų | 127 | 150.2 Ų | 150.2 | 67% | 0.665 | 79% | 0.785 | S | S | * | * | | | trans | 59.2 | 143.5 | 140.4 | -52.2 | -178.9 | 0 | 0 | 0 | 119.7 | | |
| 198 | Q | 44.6 | Very low | 47.6 | Very low | 154 Ų | 154 | 150.1 Ų | 150.1 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | cis | -165.9 | 147.9 | 5.7 | -126.7 | 167.7 | 16.9 | 0 | 0 | 109 | | |
| 199 | N | 44.3 | Very low | 47.9 | Very low | 147 Ų | 147 | 150.6 Ų | 150.6 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | | | trans | 1.8 | 140.3 | 154.1 | -65.1 | -24.9 | 0 | 0 | 0 | 121 | | |
| 200 | V | 48.3 | Very low | 47.4 | Very low | 129 Ų | 129 | 147.9 Ų | 147.9 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | | | | 174 | 119.5 | 103 | 156.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 201 | S | 41.3 | Very low | 48.2 | Very low | 94 Ų | 94 | 144 Ų | 144 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | | | trans | 62.9 | 111.3 | 138 | -54.5 | 0 | 0 | 0 | 0 | 124.8 | | |
| 202 | T | 44.4 | Very low | 48.4 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | | | | 51.7 | 112 | 123.5 | 63.5 | 0 | 0 | 0 | 0 | 121.2 | | |
| 203 | S | 48.9 | Very low | 49.2 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | | 178.8 | 123.9 | 114.6 | 41.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 204 | T | 44.2 | Very low | 49.4 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | | | trans | -76.5 | -179 | 160.6 | 37.4 | 0 | 0 | 0 | 0 | 110 | | |
| 205 | P | 50.2 | Low | 49.8 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | | | cis | -133.4 | -171.9 | -11.7 | 21.1 | 4.9 | 0 | 0 | 0 | 112.6 | | |
| 206 | K | 49.1 | Very low | 50.3 | Low | 190 Ų | 190 | 137.4 Ų | 137.4 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | | | trans | 114.9 | 112 | 146.5 | -64 | 176 | -177.8 | 172.4 | 0 | 117.1 | | |
| 207 | S | 45.5 | Very low | 50.5 | Low | 96 Ų | 96 | 139.7 Ų | 139.7 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | | | | 93.1 | 141.7 | 120.2 | -153.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 208 | L | 51.2 | Low | 51.2 | Low | 161 Ų | 161 | 139.2 Ų | 139.2 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | 80 | 132.8 | 160.8 | -46.3 | 175.1 | 0 | 0 | 0 | 114.9 | | |
| 209 | A | 48.8 | Very low | 51.9 | Low | 89 Ų | 89 | 141.3 Ų | 141.3 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | | | cis | -169.5 | 140.7 | 0 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 210 | S | 41.7 | Very low | 52.8 | Low | 115 Ų | 115 | 140.5 Ų | 140.5 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -70 | 134.6 | 163.1 | -66.6 | 0 | 0 | 0 | 0 | 110.7 | K212 | S210-K212 PolarHBondContact O-N 3.37Š|
| 211 | P | 61.5 | Low | 53.1 | Low | 128 Ų | 128 | 142.5 Ų | 142.5 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | | | trans | -80.8 | 107.4 | 170.1 | 29.5 | -27.8 | 0 | 0 | 0 | 110.1 | S213 | P211-S213 PolarHBondContact O-N 3.42Š|
| 212 | K | 54.9 | Low | 53.3 | Low | 198 Ų | 198 | 142.8 Ų | 142.8 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | | | trans | -66.8 | 113.4 | 162.1 | -83.1 | 176.9 | 166.7 | 171.8 | 0 | 108.7 | S210 I214 | S210-K212 PolarHBondContact O-N 3.37Å; K212-I214 PolarHBondContact O-N 3.09Å |
| 213 | S | 63.6 | Low | 53.5 | Low | 109 Ų | 109 | 141.5 Ų | 141.5 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | | | trans | -72.3 | 112.7 | 167.6 | 62.5 | 0 | 0 | 0 | 0 | 109.7 | P211 L215 | P211-S213 PolarHBondContact O-N 3.42Å; S213-L215 VanDerWaalsContact C-N 3.35Å; S213-L215 PolarHBondContact O-N 2.87Å; S213-L215 VanDerWaalsContact O-N 3.16Å |
| 214 | I | 55.9 | Low | 53.6 | Low | 150 Ų | 150 | 143.3 Ų | 143.3 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | -81.6 | 84.2 | 172 | -57.1 | 168.3 | 0 | 0 | 0 | 106.7 | K212 K216 | K212-I214 PolarHBondContact O-N 3.09Å; I214-K216 HydrophobicContact CG2-CG 4.31Å; I214-K216 PolarHBondContact O-N 3.29Å; I214-K216 VanDerWaalsContact O-N 3.09Å |
| 215 | L | 62 | Low | 53.8 | Low | 161 Ų | 161 | 143.1 Ų | 143.1 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | -75.5 | 93.2 | 169.3 | -139.3 | 88.2 | 0 | 0 | 0 | 108.3 | S213 K217 | S213-L215 VanDerWaalsContact C-N 3.35Å; S213-L215 PolarHBondContact O-N 2.87Å; S213-L215 VanDerWaalsContact O-N 3.16Å; L215-K217 PolarHBondContact O-N 3.32Å |
| 216 | K | 59.2 | Low | 53.5 | Low | 189 Ų | 189 | 145 Ų | 145 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63 | 116.5 | 170.9 | -84 | 174.6 | 172.1 | 175.1 | 0 | 109.4 | I214 S218 | I214-K216 HydrophobicContact CG2-CG 4.31Å; I214-K216 PolarHBondContact O-N 3.29Å; I214-K216 VanDerWaalsContact O-N 3.09Å; K216-S218 PolarHBondContact O-N 2.92Å |
| 217 | K | 52.8 | Low | 53.5 | Low | 208 Ų | 208 | 144.1 Ų | 144.1 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 116.6 | 168 | -63.6 | -178 | 176.2 | -177.3 | 0 | 109.5 | L215 | L215-K217 PolarHBondContact O-N 3.32Š|
| 218 | S | 63.2 | Low | 53.4 | Low | 118 Ų | 118 | 145 Ų | 145 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 133.2 | 161.5 | 42.8 | 0 | 0 | 0 | 0 | 109.6 | K216 | K216-S218 PolarHBondContact O-N 2.92Š|
| 219 | K | 59.2 | Low | 53.8 | Low | 197 Ų | 197 | 143 Ų | 143 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 144.9 | 175.8 | -92 | 158.1 | 167.2 | 169.1 | 0 | 111.2 | L221 | K219-L221 PolarHBondContact O-N 3.29Š|
| 220 | P | 63.5 | Low | 53.7 | Low | 130 Ų | 130 | 144.7 Ų | 144.7 | 84% | 0.844 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 119.5 | 165.1 | 30.5 | -29.9 | 0 | 0 | 0 | 109.3 | | |
| 221 | L | 53.3 | Low | 54.7 | Low | 171 Ų | 171 | 145.7 Ų | 145.7 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -77 | 122.8 | 164.5 | -98.4 | 155.5 | 0 | 0 | 0 | 108.3 | K219 A223 | K219-L221 PolarHBondContact O-N 3.29Å; L221-A223 PolarHBondContact O-N 3.42Å |
| 222 | S | 45.6 | Very low | 54.1 | Low | 100 Ų | 100 | 145.7 Ų | 145.7 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 119.4 | 170.1 | 56.4 | 0 | 0 | 0 | 0 | 110 | | |
| 223 | A | 49.8 | Very low | 53.8 | Low | 104 Ų | 104 | 142.9 Ų | 142.9 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | -95.4 | 103.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | L221 | L221-A223 PolarHBondContact O-N 3.42Š|
| 224 | Q | 50.5 | Low | 53.3 | Low | 160 Ų | 160 | 143.2 Ų | 143.2 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | | | trans | -72.6 | 133.9 | 167.9 | -71.3 | -157.7 | 27 | 0 | 0 | 109.5 | | |
| 225 | L | 48.6 | Very low | 52.8 | Low | 128 Ų | 128 | 147.3 Ų | 147.3 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | | | | 44.7 | 120.9 | 128.5 | -64.2 | 166.6 | 0 | 0 | 0 | 119.5 | | |
| 226 | L | 44.5 | Very low | 52.2 | Low | 142 Ų | 142 | 147.5 Ų | 147.5 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | | | trans | 65.5 | 113 | 130 | -61.1 | 168.8 | 0 | 0 | 0 | 116.5 | | |
| 227 | L | 47.3 | Very low | 51.9 | Low | 172 Ų | 172 | 147.6 Ų | 147.6 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | | | | -172.9 | 108.9 | 122.3 | -115.9 | 72.6 | 0 | 0 | 0 | 108.7 | | |
| 228 | S | 43.6 | Very low | 52 | Low | 114 Ų | 114 | 146.2 Ų | 146.2 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | -78.8 | 150.8 | 165.1 | -45.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 229 | P | 61.2 | Low | 51.3 | Low | 121 Ų | 121 | 149 Ų | 149 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | | | trans | -104.1 | 132.2 | 152 | 31.6 | -22.2 | 0 | 0 | 0 | 111.3 | | |
| 230 | V | 46.9 | Very low | 50.9 | Low | 123 Ų | 123 | 148.2 Ų | 148.2 | 75% | 0.745 | 80% | 0.8 | S | S | * | * | | | trans | -55.9 | 137.3 | 164.4 | 165.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 231 | V | 62.7 | Low | 50.5 | Low | 137 Ų | 137 | 149.3 Ų | 149.3 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | | | trans | -138.1 | 110.1 | 155.5 | -168.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 232 | D | 47.9 | Very low | 50.6 | Low | 128 Ų | 128 | 147.9 Ų | 147.9 | 68% | 0.684 | 79% | 0.79 | S | S | * | * | | | trans | -65.4 | 139.5 | 162.4 | -72.8 | -55.6 | 0 | 0 | 0 | 109.7 | | |
| 233 | D | 49.3 | Very low | 51 | Low | 138 Ų | 138 | 148.6 Ų | 148.6 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | | | | 164.4 | 116 | 116.2 | -104.2 | -42 | 0 | 0 | 0 | 112.6 | | |
| 234 | T | 52.8 | Low | 51.2 | Low | 116 Ų | 116 | 155 Ų | 155 | 71% | 0.712 | 80% | 0.797 | S | S | * | * | | | | 41.8 | 134.7 | 129.4 | 57.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 235 | R | 45.9 | Very low | 51 | Low | 237 Ų | 237 | 155.2 Ų | 155.2 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | | | trans | 78.9 | 101.6 | 157.8 | -66.7 | 175.8 | 82.5 | 166.5 | 5.2 | 117.9 | | |
| 236 | L | 49.2 | Very low | 51.3 | Low | 164 Ų | 164 | 157 Ų | 157 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | | | trans | -165.4 | 69.7 | 133 | -102.6 | 163.8 | 0 | 0 | 0 | 109.2 | | |
| 237 | E | 52.7 | Low | 51.8 | Low | 191 Ų | 191 | 157.8 Ų | 157.8 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | | | trans | -76.5 | 108.4 | 148.8 | -77.4 | -160.5 | 150 | 0 | 0 | 106.2 | | |
| 238 | E | 54.2 | Low | 51.9 | Low | 180 Ų | 180 | 157.3 Ų | 157.3 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | | | trans | 159.5 | 61.8 | 160.8 | -92.9 | 178.6 | 178.7 | 0 | 0 | 109.5 | | |
| 239 | Q | 48.1 | Very low | 52.2 | Low | 176 Ų | 176 | 163.1 Ų | 163.1 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -150.7 | 6 | 163.8 | -127.7 | 173.7 | 24.5 | 0 | 0 | 116.3 | | |
| 240 | E | 52.1 | Low | 51.8 | Low | 181 Ų | 181 | 165.3 Ų | 165.3 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -94.5 | 2 | -175.7 | -141.7 | 178.3 | 161.9 | 0 | 0 | 114.9 | | |
| 241 | I | 54.9 | Low | 51.8 | Low | 153 Ų | 153 | 166.8 Ų | 166.8 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -103.6 | -13 | -174.4 | -58.7 | 176.1 | 0 | 0 | 0 | 113.2 | | |
| 242 | L | 54.3 | Low | 51.4 | Low | 141 Ų | 141 | 168.2 Ų | 168.2 | 74% | 0.738 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -91.3 | -10.6 | -176.4 | -71.2 | 172.6 | 0 | 0 | 0 | 115.5 | | |
| 243 | S | 54.4 | Low | 51.3 | Low | 114 Ų | 114 | 167.6 Ų | 167.6 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 0.9 | -174.4 | -59.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 244 | R | 54.3 | Low | 51.3 | Low | 238 Ų | 238 | 172 Ų | 172 | 90% | 0.898 | 84% | 0.838 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 4.4 | -178.5 | -74.7 | -174.1 | 176.6 | -113.2 | 2 | 115.4 | | |
| 245 | Q | 45.7 | Very low | 51 | Low | 166 Ų | 166 | 171.4 Ų | 171.4 | 78% | 0.776 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -113.5 | 15.7 | -167.7 | -136.3 | -178.4 | 13 | 0 | 0 | 116.4 | | |
| 246 | L | 54.8 | Low | 50.9 | Low | 165 Ų | 165 | 165.7 Ų | 165.7 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -115.8 | 14.8 | -175.9 | -71.8 | 178.6 | 0 | 0 | 0 | 116.4 | | |
| 247 | N | 55.3 | Low | 50.8 | Low | 159 Ų | 159 | 162.7 Ų | 162.7 | 85% | 0.85 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -111.4 | 4.1 | -178 | -101.5 | 0 | 0 | 0 | 0 | 117.3 | | |
| 248 | D | 49.9 | Very low | 50.1 | Low | 161 Ų | 161 | 159 Ų | 159 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | | | trans | -120.2 | 74.8 | -179.2 | -71 | -37.7 | 0 | 0 | 0 | 112.5 | | |
| 249 | R | 50.5 | Low | 50 | Low | 236 Ų | 236 | 156 Ų | 156 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | | | trans | -167.4 | 84.7 | 165.3 | -116.1 | 171.8 | 174.5 | 176.3 | -1.1 | 111.6 | | |
| 250 | N | 52.1 | Low | 49.9 | Very low | 167 Ų | 167 | 152.5 Ų | 152.5 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | | | trans | -170.2 | 69.8 | 151.2 | -93.3 | -18.6 | 0 | 0 | 0 | 110.5 | | |
| 251 | N | 46.8 | Very low | 49.3 | Very low | 155 Ų | 155 | 149.9 Ų | 149.9 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | | | trans | -143.3 | 95.2 | 164.4 | -89.5 | -33.9 | 0 | 0 | 0 | 107.1 | | |
| 252 | L | 54.3 | Low | 48.5 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | trans | -177.9 | 92.7 | 162 | -95.8 | 137.3 | 0 | 0 | 0 | 110.3 | | |
| 253 | S | 45.1 | Very low | 47.9 | Very low | 115 Ų | 115 | 149.5 Ų | 149.5 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -170.4 | 106.9 | 131.5 | -83 | 0 | 0 | 0 | 0 | 107.8 | | |
| 254 | R | 50.1 | Low | 47.6 | Very low | 229 Ų | 229 | 149.3 Ų | 149.3 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | | | | 49.2 | 116.9 | 83.7 | -92.1 | -177.3 | 172.2 | -165.4 | -2.2 | 109.9 | | |
| 255 | S | 45.5 | Very low | 47.4 | Very low | 105 Ų | 105 | 149.7 Ų | 149.7 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | | | cis | -166.8 | 156.3 | 30.5 | -57.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 256 | S | 44.8 | Very low | 48.2 | Very low | 116 Ų | 116 | 146.8 Ų | 146.8 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | | | trans | -53.5 | 142.1 | 167.4 | 50 | 0 | 0 | 0 | 0 | 116.2 | | |
| 257 | A | 47 | Very low | 47.9 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | | | | 175.1 | 119.3 | 128.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 258 | S | 38.5 | Very low | 47.9 | Very low | 114 Ų | 114 | 148.2 Ų | 148.2 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | | | trans | -73 | -176.1 | 163 | -61 | 0 | 0 | 0 | 0 | 111.5 | | |
| 259 | P | 51.6 | Low | 48.1 | Very low | 115 Ų | 115 | 149 Ų | 149 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | | | | -130.5 | -169.5 | -60.3 | 37.6 | -20.4 | 0 | 0 | 0 | 111.2 | | |
| 260 | S | 45.5 | Very low | 48.7 | Very low | 103 Ų | 103 | 148.3 Ų | 148.3 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | | | trans | 110.6 | 116.3 | 158.3 | 88.1 | 0 | 0 | 0 | 0 | 117.8 | | |
| 261 | N | 40.9 | Very low | 49.5 | Very low | 127 Ų | 127 | 145.8 Ų | 145.8 | 68% | 0.679 | 80% | 0.8 | S | S | * | * | | | trans | 46.8 | 139.5 | 139.8 | -55.6 | -26.3 | 0 | 0 | 0 | 123.3 | | |
| 262 | H | 38.2 | Very low | 50.6 | Low | 166 Ų | 166 | 147.3 Ų | 147.3 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | 73.3 | 99.7 | 156.3 | -35.1 | -63.4 | 0 | 0 | 0 | 116.1 | | |
| 263 | C | 41 | Very low | 51.6 | Low | 119 Ų | 119 | 145.1 Ų | 145.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | | 177.3 | 121.2 | 124.4 | -105 | 0 | 0 | 0 | 0 | 111.9 | | |
| 264 | S | 46.9 | Very low | 52.6 | Low | 110 Ų | 110 | 144.7 Ų | 144.7 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | | 46.7 | 113.7 | 125.9 | -50.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 265 | R | 51.5 | Low | 53.8 | Low | 246 Ų | 246 | 139 Ų | 139 | 93% | 0.928 | 79% | 0.786 | S | S | * | * | | | trans | -37.3 | 129.9 | 163.5 | -67.8 | 175.8 | 168.7 | -159.7 | -3.4 | 113.2 | | |
| 266 | P | 61.3 | Low | 55.1 | Low | 106 Ų | 106 | 141.7 Ų | 141.7 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | | | trans | -87 | 110.2 | 156.7 | 31.1 | -26 | 0 | 0 | 0 | 109.2 | K268 | P266-K268 PolarHBondContact O-N 3.45Š|
| 267 | N | 49.1 | Very low | 56.1 | Low | 163 Ų | 163 | 142 Ų | 142 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | | | trans | -64.1 | 94.1 | 165.3 | -131.6 | 0.2 | 0 | 0 | 0 | 107.8 | M269 | N267-M269 PolarHBondContact O-N 2.91Š|
| 268 | K | 56.2 | Low | 56.9 | Low | 190 Ų | 190 | 143.6 Ų | 143.6 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | | | trans | -91.1 | 101.9 | 171.3 | -78.2 | -174.2 | 179.6 | -178.6 | 0 | 108.8 | P266 R270 | P266-K268 PolarHBondContact O-N 3.45Å; K268-R270 PolarHBondContact O-N 3.3Å; K268-R270 VanDerWaalsContact O-N 3.14Å |
| 269 | M | 52.6 | Low | 58.3 | Low | 177 Ų | 177 | 148.4 Ų | 148.4 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | | | trans | -38.8 | 110.1 | 171.8 | -52.5 | -133.2 | 94.6 | 0 | 0 | 111.3 | N267 | N267-M269 PolarHBondContact O-N 2.91Š|
| 270 | R | 64.7 | Low | 58.8 | Low | 223 Ų | 223 | 154.5 Ų | 154.5 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 124.8 | 157 | -172.4 | 177.5 | -174 | 133.7 | -0.5 | 105.6 | K268 E272 | K268-R270 PolarHBondContact O-N 3.3Å; K268-R270 VanDerWaalsContact O-N 3.14Å; R270-E272 PolarHBondContact O-N 2.94Å |
| 271 | P | 68.9 | Low | 59.8 | Low | 113 Ų | 113 | 155.7 Ų | 155.7 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 125.7 | 172.8 | 23.5 | -30.5 | 0 | 0 | 0 | 108.3 | T273 | P271-T273 PolarHBondContact O-N 2.84Š|
| 272 | E | 69.9 | Low | 61 | Low | 188 Ų | 188 | 157.6 Ų | 157.6 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 119.7 | 171.3 | -75.9 | -175.3 | 152.2 | 0 | 0 | 108.2 | R270 | R270-E272 PolarHBondContact O-N 2.94Š|
| 273 | T | 73.7 | Confident | 62.7 | Low | 120 Ų | 120 | 155.7 Ų | 155.7 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -56 | 122.9 | 171.4 | -41 | 0 | 0 | 0 | 0 | 107.4 | P271 S275 | P271-T273 PolarHBondContact O-N 2.84Å; T273-S275 PolarHBondContact O-N 3.27Å |
| 274 | P | 67.8 | Low | 64.3 | Low | 107 Ų | 107 | 155.7 Ų | 155.7 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | | | trans | -58.6 | 106.7 | 177.9 | 22.3 | -31.2 | 0 | 0 | 0 | 108.2 | F276 | P274-F276 PolarHBondContact O-N 3.45Å; P274-F276 VanDerWaalsContact O-N 3.15Å |
| 275 | S | 74.6 | Confident | 65.6 | Low | 108 Ų | 108 | 157.3 Ų | 157.3 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | trans | -72 | 106.5 | 174.1 | -170.4 | 0 | 0 | 0 | 0 | 106.4 | T273 | T273-S275 PolarHBondContact O-N 3.27Š|
| 276 | F | 72 | Confident | 67 | Low | 163 Ų | 163 | 150 Ų | 150 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | | | trans | -55 | 137 | 169.3 | -73.8 | -84.6 | 0 | 0 | 0 | 108 | P274 L278 | P274-F276 PolarHBondContact O-N 3.45Å; P274-F276 VanDerWaalsContact O-N 3.15Å; F276-L278 VanDerWaalsContact C-N 3.27Å; F276-L278 PolarHBondContact O-N 2.86Å |
| 277 | P | 67.1 | Low | 67.9 | Low | 121 Ų | 121 | 152.8 Ų | 152.8 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | trans | -59.6 | 92.5 | 174.3 | -19 | 30 | 0 | 0 | 0 | 109.2 | R279 | P277-R279 PolarHBondContact O-N 2.83Š|
| 278 | L | 62.6 | Low | 69.3 | Low | 137 Ų | 137 | 149.9 Ų | 149.9 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | | | trans | -66.7 | 95.2 | 164.9 | -94.2 | 84.3 | 0 | 0 | 0 | 105.5 | F276 R280 | F276-L278 VanDerWaalsContact C-N 3.27Å; F276-L278 PolarHBondContact O-N 2.86Å; L278-R280 PolarHBondContact O-N 3.07Å |
| 279 | R | 67.9 | Low | 70.5 | Confident | 215 Ų | 215 | 145 Ų | 145 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | | | trans | -59.6 | 98.2 | 156.9 | -73.2 | -163.6 | 155 | 155.1 | -2 | 106.1 | P277 T281 | P277-R279 PolarHBondContact O-N 2.83Å; R279-T281 PolarHBondContact O-N 3.2Å |
| 280 | R | 63.7 | Low | 71.6 | Confident | 242 Ų | 242 | 144 Ų | 144 | 91% | 0.913 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 3.6 | -177.1 | -83 | -176.5 | 150.1 | 137.2 | -3 | 114.5 | L278 | L278-R280 PolarHBondContact O-N 3.07Š|
| 281 | T | 65.7 | Low | 72.1 | Confident | 129 Ų | 129 | 139.7 Ų | 139.7 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -4.7 | -174.4 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | R279 | R279-T281 PolarHBondContact O-N 3.2Š|
| 282 | E | 66.2 | Low | 72 | Confident | 166 Ų | 166 | 140.2 Ų | 140.2 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | | | trans | -157.6 | 76.1 | -178.3 | -128.7 | 174.3 | -178.3 | 0 | 0 | 111.8 | P284 | E282-P284 VanDerWaalsContact O-CD 3.32Å; E282-P284 WeakPolarHBondContact O-CD 3.43Å |
| 283 | T | 73.5 | Confident | 71.9 | Confident | 126 Ų | 126 | 135.4 Ų | 135.4 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | | | trans | -70.9 | 113.5 | 152.5 | 28.6 | 0 | 0 | 0 | 0 | 106.6 | L285 | T283-L285 PolarHBondContact O-N 3.47Å; T283-L285 VanDerWaalsContact O-N 3.1Å |
| 284 | P | 73.7 | Confident | 71.4 | Confident | 119 Ų | 119 | 136.8 Ų | 136.8 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 121.8 | 179.8 | 22.8 | -31.8 | 0 | 0 | 0 | 108.6 | E282 | E282-P284 VanDerWaalsContact O-CD 3.32Å; E282-P284 WeakPolarHBondContact O-CD 3.43Å |
| 285 | L | 75.9 | Confident | 71.2 | Confident | 144 Ų | 144 | 135.9 Ų | 135.9 | 75% | 0.754 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 139.8 | 173.4 | -85.2 | 142.3 | 0 | 0 | 0 | 108.8 | T283 Y287 | T283-L285 PolarHBondContact O-N 3.47Å; T283-L285 VanDerWaalsContact O-N 3.1Å; L285-Y287 PolarHBondContact O-N 3.42Å |
| 286 | P | 80.9 | Confident | 70.5 | Confident | 93 Ų | 93 | 134.5 Ų | 134.5 | 60% | 0.604 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 131.7 | 174.5 | 21.8 | -31.5 | 0 | 0 | 0 | 109.5 | H288 | P286-H288 PolarHBondContact O-CD2 3.46Å; P286-H288 VanDerWaalsContact O-CD2 3.24Å; P286-H288 PolarHBondContact O-N 3.35Å |
| 287 | Y | 78.5 | Confident | 69.6 | Low | 165 Ų | 165 | 132 Ų | 132 | 65% | 0.647 | 72% | 0.719 | S | S | * | * | | | trans | -60.7 | 104.2 | -176.8 | -162.6 | -88.5 | 0 | 0 | 0 | 109.7 | L285 P289 Y292 | L285-Y287 PolarHBondContact O-N 3.42Å; Y287-P289 WeakPolarHBondContact O-CD 3.5Å; Y287-Y292 HydrophobicContact CD1-CD2 4.33Å; Y287-Y292 AromaticContact CD2-CD2 3.93Å; Y287-Y292 HydrophobicContact CD2-CD2 3.93Å; Y287-Y292 AromaticContact CD2-CE2 3.81Å; Y287-Y292 HydrophobicContact CD2-CE2 3.81Å; Y287-Y292 HydrophobicContact CE1-CD2 4.12Å; Y287-Y292 HydrophobicContact CE1-CG 4.43Å; Y287-Y292 HydrophobicContact CE2-CD1 4.25Å; Y287-Y292 AromaticContact CE2-CD2 3.71Å; Y287-Y292 HydrophobicContact CE2-CD2 3.71Å; Y287-Y292 HydrophobicContact CE2-CE1 4.44Å; Y287-Y292 AromaticContact CE2-CE2 3.92Å; Y287-Y292 HydrophobicContact CE2-CE2 3.92Å; Y287-Y292 AromaticContact CE2-CG 3.88Å; Y287-Y292 HydrophobicContact CE2-CG 3.88Å; Y287-Y292 HydrophobicContact CG-CD2 4.25Å; Y287-Y292 HydrophobicContact CG-CE2 4.28Å; Y287-Y292 AromaticContact CZ-CD2 3.81Å; Y287-Y292 AromaticContact CZ-CG 3.82Å |
| 288 | H | 79.8 | Confident | 69 | Low | 102 Ų | 102 | 130.5 Ų | 130.5 | 47% | 0.472 | 72% | 0.717 | S | S | . | * | | | trans | -90.8 | 112.1 | 172.3 | -77 | -75.7 | 0 | 0 | 0 | 108.6 | P286 L290 L291 | P286-H288 PolarHBondContact O-CD2 3.46Å; P286-H288 VanDerWaalsContact O-CD2 3.24Å; P286-H288 PolarHBondContact O-N 3.35Å; H288-L290 PolarHBondContact O-N 2.85Å; H288-L291 HydrophobicContact CB-CB 4.46Å; H288-L291 HydrophobicContact CB-CD1 4.08Å; H288-L291 HydrophobicContact CB-CG 4.1Å; H288-L291 PolarHBondContact O-N 3.24Å |
| 289 | P | 81.1 | Confident | 68.7 | Low | 88 Ų | 88 | 131.1 Ų | 131.1 | 57% | 0.571 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -23 | -177.6 | 18.7 | -29.6 | 0 | 0 | 0 | 113.4 | Y287 S293 | Y287-P289 WeakPolarHBondContact O-CD 3.5Å; P289-S293 PolarHBondContact O-OG 3.15Å |
| 290 | L | 76.4 | Confident | 68 | Low | 154 Ų | 154 | 127 Ų | 127 | 81% | 0.806 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -24.1 | 176.4 | -62 | 176.9 | 0 | 0 | 0 | 114.1 | H288 | H288-L290 PolarHBondContact O-N 2.85Š|
| 291 | L | 74.3 | Confident | 67.4 | Low | 133 Ų | 133 | 119.7 Ų | 119.7 | 70% | 0.696 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -19.7 | -179.3 | -65.7 | 179.1 | 0 | 0 | 0 | 113.2 | H288 | H288-L291 HydrophobicContact CB-CB 4.46Å; H288-L291 HydrophobicContact CB-CD1 4.08Å; H288-L291 HydrophobicContact CB-CG 4.1Å; H288-L291 PolarHBondContact O-N 3.24Å |
| 292 | Y | 67.1 | Low | 66.8 | Low | 124 Ų | 124 | 122.1 Ų | 122.1 | 49% | 0.486 | 71% | 0.708 | S | S | . | * | S | Bend | trans | -103.7 | -0.1 | -177.1 | -69.6 | -81.7 | 0 | 0 | 0 | 113.9 | Y287 D294 | Y287-Y292 HydrophobicContact CD1-CD2 4.33Å; Y287-Y292 AromaticContact CD2-CD2 3.93Å; Y287-Y292 HydrophobicContact CD2-CD2 3.93Å; Y287-Y292 AromaticContact CD2-CE2 3.81Å; Y287-Y292 HydrophobicContact CD2-CE2 3.81Å; Y287-Y292 HydrophobicContact CE1-CD2 4.12Å; Y287-Y292 HydrophobicContact CE1-CG 4.43Å; Y287-Y292 HydrophobicContact CE2-CD1 4.25Å; Y287-Y292 AromaticContact CE2-CD2 3.71Å; Y287-Y292 HydrophobicContact CE2-CD2 3.71Å; Y287-Y292 HydrophobicContact CE2-CE1 4.44Å; Y287-Y292 AromaticContact CE2-CE2 3.92Å; Y287-Y292 HydrophobicContact CE2-CE2 3.92Å; Y287-Y292 AromaticContact CE2-CG 3.88Å; Y287-Y292 HydrophobicContact CE2-CG 3.88Å; Y287-Y292 HydrophobicContact CG-CD2 4.25Å; Y287-Y292 HydrophobicContact CG-CE2 4.28Å; Y287-Y292 AromaticContact CZ-CD2 3.81Å; Y287-Y292 AromaticContact CZ-CG 3.82Å; Y292-D294 VanDerWaalsContact C-N 3.29Å; Y292-D294 PolarHBondContact O-N 3.45Å |
| 293 | S | 66.8 | Low | 65.9 | Low | 88 Ų | 88 | 120.7 Ų | 120.7 | 62% | 0.615 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -23.1 | 179.8 | -64.5 | 0 | 0 | 0 | 0 | 113.1 | P289 | P289-S293 PolarHBondContact O-OG 3.15Š|
| 294 | D | 64 | Low | 64.7 | Low | 149 Ų | 149 | 124.4 Ų | 124.4 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -1.9 | -173.8 | -68.3 | -19.7 | 0 | 0 | 0 | 114.7 | Y292 G296 | Y292-D294 VanDerWaalsContact C-N 3.29Å; Y292-D294 PolarHBondContact O-N 3.45Å; D294-G296 VanDerWaalsContact C-N 3.28Å; D294-G296 PolarHBondContact O-N 3.45Å |
| 295 | A | 62.4 | Low | 63.4 | Low | 88 Ų | 88 | 125.9 Ų | 125.9 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 5.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 296 | G | 60.1 | Low | 62.1 | Low | 78 Ų | 78 | 122.7 Ų | 122.7 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 1.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | D294 | D294-G296 VanDerWaalsContact C-N 3.28Å; D294-G296 PolarHBondContact O-N 3.45Å |
| 297 | S | 54.2 | Low | 60.4 | Low | 110 Ų | 110 | 124.8 Ų | 124.8 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | | | trans | -126.3 | 61.5 | -176.9 | -169 | 0 | 0 | 0 | 0 | 111.9 | D299 | S297-D299 PolarHBondContact O-N 2.93Š|
| 298 | A | 53.6 | Low | 58.9 | Low | 91 Ų | 91 | 127.2 Ų | 127.2 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | | | trans | -78.1 | 97.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 299 | D | 56.1 | Low | 57.3 | Low | 149 Ų | 149 | 129 Ų | 129 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | | | trans | -171.5 | 141.9 | 142 | -92.7 | -29.1 | 0 | 0 | 0 | 109.3 | S297 | S297-D299 PolarHBondContact O-N 2.93Š|
| 300 | V | 53.2 | Low | 55.5 | Low | 128 Ų | 128 | 128 Ų | 128 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | | | trans | 87.5 | 71.9 | 169.4 | -161 | 0 | 0 | 0 | 0 | 117.2 | | |
| 301 | S | 52.8 | Low | 54.1 | Low | 89 Ų | 89 | 127 Ų | 127 | 62% | 0.622 | 74% | 0.74 | S | S | * | * | | | | 35.8 | 131.3 | 113.2 | 59.8 | 0 | 0 | 0 | 0 | 121.4 | | |
| 302 | Q | 52.5 | Low | 52.6 | Low | 180 Ų | 180 | 124.3 Ų | 124.3 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | | | trans | 84.5 | 104.9 | 141.1 | -69.3 | 171.7 | 6.4 | 0 | 0 | 118.1 | | |
| 303 | N | 47.7 | Very low | 51.7 | Low | 137 Ų | 137 | 124.2 Ų | 124.2 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | | | | 76.8 | 117.9 | 85.5 | -118.8 | -9.6 | 0 | 0 | 0 | 114.5 | | |
| 304 | R | 46.9 | Very low | 50.9 | Low | 204 Ų | 204 | 126.6 Ų | 126.6 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | 70.7 | 113.7 | 147.4 | -70.5 | -176.4 | -171.5 | -171.2 | 2.8 | 120.7 | | |
| 305 | I | 47.1 | Very low | 50.4 | Low | 150 Ų | 150 | 131.1 Ų | 131.1 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | | 72.8 | 126.3 | 121.5 | -59 | 165.8 | 0 | 0 | 0 | 118.2 | | |
| 306 | A | 47.9 | Very low | 50 | Low | 77 Ų | 77 | 132.4 Ų | 132.4 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | | | trans | 84.4 | 117.5 | 150.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 307 | N | 46.2 | Very low | 49.5 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | | | | 72.3 | 125.2 | 128.7 | -79 | -17.6 | 0 | 0 | 0 | 120.2 | | |
| 308 | R | 47.3 | Very low | 49.5 | Very low | 215 Ų | 215 | 131.8 Ų | 131.8 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | 83.4 | 115.6 | 135.8 | -71.9 | 176.1 | -171.5 | -127.1 | 3.6 | 117.5 | | |
| 309 | V | 46 | Very low | 49.7 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | | | trans | 68.3 | 113.5 | 134.6 | -173.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 310 | G | 42.9 | Very low | 49.9 | Very low | 67 Ų | 67 | 138.7 Ų | 138.7 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | | | trans | -69.7 | -145 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 311 | P | 47.9 | Very low | 50.7 | Low | 135 Ų | 135 | 137.8 Ų | 137.8 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | | | cis | -128.8 | 175.6 | -8.5 | 38 | -21 | 0 | 0 | 0 | 112.8 | | |
| 312 | G | 42.5 | Very low | 51.5 | Low | 75 Ų | 75 | 142.6 Ų | 142.6 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | 113.4 | 86.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 313 | C | 47.8 | Very low | 52 | Low | 122 Ų | 122 | 139.3 Ų | 139.3 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | trans | -144.9 | 100.4 | 140.9 | -157.5 | 0 | 0 | 0 | 0 | 108.9 | R315 | C313-R315 PolarHBondContact O-N 3.28Š|
| 314 | V | 50.6 | Low | 53.2 | Low | 138 Ų | 138 | 138.9 Ų | 138.9 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | | | trans | -70.9 | 109.2 | 169.5 | -130.4 | 0 | 0 | 0 | 0 | 106.6 | | |
| 315 | R | 53.2 | Low | 53.9 | Low | 245 Ų | 245 | 133.4 Ų | 133.4 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | | | trans | -115 | 89.7 | 162.5 | -131.7 | -178.6 | -172 | -143.3 | 2.5 | 109.4 | C313 | C313-R315 PolarHBondContact O-N 3.28Š|
| 316 | S | 53 | Low | 54.5 | Low | 115 Ų | 115 | 131.4 Ų | 131.4 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -48.5 | 138.1 | 160.9 | -70.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 317 | G | 50.2 | Low | 54.7 | Low | 61 Ų | 61 | 135.4 Ų | 135.4 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | | | trans | 151.3 | 81.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | I319 | G317-I319 VanDerWaalsContact C-N 3.33Å; G317-I319 PolarHBondContact O-N 3.11Å |
| 318 | S | 53.8 | Low | 55 | Low | 114 Ų | 114 | 139.8 Ų | 139.8 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | -56.4 | 96.8 | 167.3 | 178.8 | 0 | 0 | 0 | 0 | 108.8 | R320 | S318-R320 VanDerWaalsContact C-N 3.34Å; S318-R320 PolarHBondContact O-N 3.18Å; S318-R320 VanDerWaalsContact O-N 3.09Å |
| 319 | I | 57.7 | Low | 55.3 | Low | 162 Ų | 162 | 139.4 Ų | 139.4 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | | | trans | -76.9 | 95.1 | 168.9 | -56.6 | 175.5 | 0 | 0 | 0 | 105.3 | G317 S321 | G317-I319 VanDerWaalsContact C-N 3.33Å; G317-I319 PolarHBondContact O-N 3.11Å; I319-S321 PolarHBondContact O-N 3.33Å; I319-S321 VanDerWaalsContact O-N 3.15Å |
| 320 | R | 60.6 | Low | 55.6 | Low | 222 Ų | 222 | 136.9 Ų | 136.9 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 116.5 | 164.8 | -73 | -179.8 | 170 | -128.4 | -0.8 | 106.9 | S318 Q322 | S318-R320 VanDerWaalsContact C-N 3.34Å; S318-R320 PolarHBondContact O-N 3.18Å; S318-R320 VanDerWaalsContact O-N 3.09Å; R320-Q322 PolarHBondContact O-N 3.35Å |
| 321 | S | 69.9 | Low | 55.7 | Low | 110 Ų | 110 | 143.2 Ų | 143.2 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 123.3 | 171.9 | 43.7 | 0 | 0 | 0 | 0 | 108.8 | I319 S323 | I319-S321 PolarHBondContact O-N 3.33Å; I319-S321 VanDerWaalsContact O-N 3.15Å; S321-S323 PolarHBondContact O-N 2.94Å |
| 322 | Q | 70.3 | Confident | 56 | Low | 189 Ų | 189 | 141.7 Ų | 141.7 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 126.5 | 167.9 | -69.7 | -174.2 | -6.9 | 0 | 0 | 107.6 | R320 | R320-Q322 PolarHBondContact O-N 3.35Š|
| 323 | S | 62.9 | Low | 56.4 | Low | 111 Ų | 111 | 145.4 Ų | 145.4 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 134 | 173.6 | -68.9 | 0 | 0 | 0 | 0 | 109.6 | S321 A325 | S321-S323 PolarHBondContact O-N 2.94Å; S323-A325 PolarHBondContact O-N 2.68Å |
| 324 | P | 71.7 | Confident | 56.4 | Low | 129 Ų | 129 | 147.8 Ų | 147.8 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | | | trans | -57.1 | 112.4 | -178.2 | -22.1 | 31.3 | 0 | 0 | 0 | 110.5 | S326 | P324-S326 PolarHBondContact O-N 2.85Å; P324-S326 VanDerWaalsContact O-N 3.08Å |
| 325 | A | 63 | Low | 56.6 | Low | 88 Ų | 88 | 146 Ų | 146 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -66.1 | 108.5 | 170 | 0 | 0 | 0 | 0 | 0 | 108 | S323 H327 | S323-A325 PolarHBondContact O-N 2.68Å; A325-H327 PolarHBondContact O-N 3.31Å |
| 326 | S | 58.7 | Low | 56.8 | Low | 109 Ų | 109 | 139.7 Ų | 139.7 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | trans | -72.4 | 83.4 | -178.1 | 60.3 | 0 | 0 | 0 | 0 | 111 | P324 | P324-S326 PolarHBondContact O-N 2.85Å; P324-S326 VanDerWaalsContact O-N 3.08Å |
| 327 | H | 52.8 | Low | 57 | Low | 160 Ų | 160 | 142 Ų | 142 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | | | trans | -130.9 | 50 | 176.4 | -75.7 | 62.4 | 0 | 0 | 0 | 111.9 | A325 | A325-H327 PolarHBondContact O-N 3.31Š|
| 328 | Y | 53 | Low | 57.3 | Low | 229 Ų | 229 | 142.7 Ų | 142.7 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | | | trans | -143.3 | 63.9 | 165.8 | -73.8 | -77.6 | 0 | 0 | 0 | 110.9 | A330 | Y328-A330 PolarHBondContact O-N 3.44Š|
| 329 | Y | 53.4 | Low | 57.2 | Low | 207 Ų | 207 | 142.4 Ų | 142.4 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | trans | -87.6 | 86.1 | 155.4 | -99 | -78.3 | 0 | 0 | 0 | 107.8 | H331 | Y329-H331 PolarHBondContact O-N 3.13Š|
| 330 | A | 52.7 | Low | 57.1 | Low | 86 Ų | 86 | 142.8 Ų | 142.8 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | trans | -64.7 | 127.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y328 S332 | Y328-A330 PolarHBondContact O-N 3.44Å; A330-S332 PolarHBondContact O-N 3.37Å; A330-S332 VanDerWaalsContact O-N 3.12Å |
| 331 | H | 44.8 | Very low | 56.8 | Low | 201 Ų | 201 | 139.4 Ų | 139.4 | 93% | 0.931 | 78% | 0.78 | S | S | * | * | | | trans | -29.2 | 102.3 | 175.1 | -62.1 | -86.4 | 0 | 0 | 0 | 115.1 | Y329 | Y329-H331 PolarHBondContact O-N 3.13Š|
| 332 | S | 53.9 | Low | 56.1 | Low | 102 Ų | 102 | 140.4 Ų | 140.4 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | trans | -138.9 | 117.2 | 154.4 | -170.6 | 0 | 0 | 0 | 0 | 108.2 | A330 R334 | A330-S332 PolarHBondContact O-N 3.37Å; A330-S332 VanDerWaalsContact O-N 3.12Å; S332-R334 PolarHBondContact O-N 2.96Å |
| 333 | V | 50.8 | Low | 55.1 | Low | 153 Ų | 153 | 136.5 Ų | 136.5 | 93% | 0.927 | 77% | 0.774 | S | S | * | * | | | trans | -30.8 | 83.7 | -179.1 | -162.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 334 | R | 48.4 | Very low | 54.2 | Low | 173 Ų | 173 | 136.5 Ų | 136.5 | 65% | 0.653 | 77% | 0.773 | S | S | * | * | | | trans | -94 | 118.3 | 167.4 | -73.8 | -175.9 | 92.9 | -178 | 6 | 108.3 | S332 | S332-R334 PolarHBondContact O-N 2.96Š|
| 335 | S | 53.3 | Low | 53.1 | Low | 99 Ų | 99 | 141.1 Ų | 141.1 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | | | trans | -56.8 | 140.4 | 170.4 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | L337 | S335-L337 PolarHBondContact O-N 3.23Š|
| 336 | S | 58.8 | Low | 52.5 | Low | 113 Ų | 113 | 141.5 Ų | 141.5 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 18.3 | -164.3 | 46.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 337 | L | 56.1 | Low | 52 | Low | 165 Ų | 165 | 142.9 Ų | 142.9 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | 7 | -173.9 | -72.3 | 173.6 | 0 | 0 | 0 | 115.6 | S335 | S335-L337 PolarHBondContact O-N 3.23Š|
| 338 | T | 56.6 | Low | 52.1 | Low | 75 Ų | 75 | 142.5 Ų | 142.5 | 46% | 0.46 | 79% | 0.791 | S | S | . | * | S | Bend | trans | -124.6 | 4.6 | 178.2 | 56 | 0 | 0 | 0 | 0 | 115.3 | | |
| 339 | S | 52.7 | Low | 51.9 | Low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 4.4 | -176.8 | 86.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 340 | L | 55.3 | Low | 51.9 | Low | 170 Ų | 170 | 130.9 Ų | 130.9 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | -3.6 | -178.3 | -83.5 | 168 | 0 | 0 | 0 | 115.1 | | |
| 341 | L | 54.9 | Low | 51.6 | Low | 152 Ų | 152 | 135 Ų | 135 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -118 | 7.4 | -173.7 | -96.6 | 155.5 | 0 | 0 | 0 | 115 | | |
| 342 | V | 53.5 | Low | 52.2 | Low | 131 Ų | 131 | 128.8 Ų | 128.8 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | -126.9 | 68.4 | 176.1 | -172.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 343 | S | 48.9 | Very low | 51.9 | Low | 106 Ų | 106 | 127.8 Ų | 127.8 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -148 | 125.9 | 162.7 | -158.1 | 0 | 0 | 0 | 0 | 105.4 | | |
| 344 | C | 44.7 | Very low | 52.6 | Low | 111 Ų | 111 | 129.9 Ų | 129.9 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | | | trans | 96.4 | 62.9 | -177.9 | -43.2 | 0 | 0 | 0 | 0 | 117.5 | | |
| 345 | Y | 49.7 | Very low | 53 | Low | 226 Ų | 226 | 131.2 Ų | 131.2 | 89% | 0.886 | 80% | 0.802 | S | S | * | * | | | trans | -134.4 | 70.8 | 145.3 | -58.8 | -73.7 | 0 | 0 | 0 | 109.4 | | |
| 346 | A | 50.1 | Low | 53.7 | Low | 96 Ų | 96 | 133.9 Ų | 133.9 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | | | trans | -137.3 | 96.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 347 | T | 48.3 | Very low | 54.3 | Low | 139 Ų | 139 | 133.6 Ų | 133.6 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | | | trans | -125.8 | 91.2 | 172.2 | 30.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 348 | V | 53.7 | Low | 55 | Low | 151 Ų | 151 | 132.1 Ų | 132.1 | 92% | 0.915 | 80% | 0.803 | S | S | * | * | | | trans | -129 | 127.4 | 159.7 | -164.8 | 0 | 0 | 0 | 0 | 106 | | |
| 349 | G | 48.6 | Very low | 55.4 | Low | 75 Ų | 75 | 133.1 Ų | 133.1 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | | | trans | 90.5 | 143.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 350 | S | 53.4 | Low | 56 | Low | 118 Ų | 118 | 137.6 Ų | 137.6 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | | | cis | -166.9 | 136.7 | 9.7 | -178.2 | 0 | 0 | 0 | 0 | 105.7 | G352 | S350-G352 PolarHBondContact O-N 3.3Š|
| 351 | D | 46.6 | Very low | 56.5 | Low | 173 Ų | 173 | 134.8 Ų | 134.8 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | | | trans | -55.9 | 128.4 | 170.9 | -95.7 | -37.7 | 0 | 0 | 0 | 110.1 | | |
| 352 | G | 57.8 | Low | 56.8 | Low | 69 Ų | 69 | 139 Ų | 139 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | | | trans | -175.3 | 71.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | S350 K354 | S350-G352 PolarHBondContact O-N 3.3Å; G352-K354 PolarHBondContact O-N 3.28Å |
| 353 | G | 47.3 | Very low | 56.9 | Low | 81 Ų | 81 | 142.4 Ų | 142.4 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | | | trans | -59.7 | 122.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 354 | K | 65.9 | Low | 57.4 | Low | 197 Ų | 197 | 144 Ų | 144 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | | | trans | -139.4 | 116.4 | 152.6 | -70.5 | -166.5 | 179.5 | -178.3 | 0 | 109.1 | G352 L356 | G352-K354 PolarHBondContact O-N 3.28Å; K354-L356 PolarHBondContact O-N 3.25Å |
| 355 | Q | 57.4 | Low | 58 | Low | 202 Ų | 202 | 142.8 Ų | 142.8 | 94% | 0.944 | 82% | 0.824 | S | S | * | * | | | trans | -67.9 | 117.9 | 175.5 | -160.1 | 174.3 | 64.6 | 0 | 0 | 108.4 | | |
| 356 | L | 67.6 | Low | 58.3 | Low | 155 Ų | 155 | 142.3 Ų | 142.3 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | | | trans | -126.2 | 142 | 170.9 | -118.7 | 93.7 | 0 | 0 | 0 | 109.8 | K354 | K354-L356 PolarHBondContact O-N 3.25Š|
| 357 | P | 70.6 | Confident | 58.3 | Low | 107 Ų | 107 | 146.5 Ų | 146.5 | 70% | 0.695 | 83% | 0.825 | S | S | * | * | | | trans | -77.2 | 160.9 | -173 | 32 | -34.2 | 0 | 0 | 0 | 112.9 | A359 | P357-A359 PolarHBondContact O-N 3.45Š|
| 358 | P | 71 | Confident | 58.5 | Low | 133 Ų | 133 | 145.3 Ų | 145.3 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | | | trans | -72.8 | 112.7 | -173.5 | 29 | -34.2 | 0 | 0 | 0 | 112.1 | | |
| 359 | A | 64.6 | Low | 58.4 | Low | 96 Ų | 96 | 148 Ų | 148 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 129.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | P357 | P357-A359 PolarHBondContact O-N 3.45Š|
| 360 | K | 65.9 | Low | 58.7 | Low | 202 Ų | 202 | 149 Ų | 149 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 131.8 | 178 | -65.9 | 172 | 179.1 | 174.7 | 0 | 110.9 | R362 | K360-R362 PolarHBondContact O-N 3.06Š|
| 361 | P | 66.3 | Low | 58.8 | Low | 111 Ų | 111 | 149 Ų | 149 | 72% | 0.721 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 118.9 | 170.7 | 29 | -30.2 | 0 | 0 | 0 | 109.9 | | |
| 362 | R | 60.9 | Low | 59.2 | Low | 241 Ų | 241 | 149.1 Ų | 149.1 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | | | trans | -81.4 | 113.3 | 160.9 | -86.6 | -178.9 | 158.9 | 165 | -5.6 | 107.8 | K360 I364 | K360-R362 PolarHBondContact O-N 3.06Å; R362-I364 PolarHBondContact O-N 3.41Å |
| 363 | F | 56.3 | Low | 59.1 | Low | 201 Ų | 201 | 151.1 Ų | 151.1 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | | | trans | -68.4 | 116.2 | 167.7 | -85.5 | -95.3 | 0 | 0 | 0 | 109 | | |
| 364 | I | 59.7 | Low | 59.6 | Low | 139 Ų | 139 | 151.1 Ų | 151.1 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | | | trans | -88.9 | 112.8 | 162.9 | -62 | 175.6 | 0 | 0 | 0 | 105.7 | R362 Y366 | R362-I364 PolarHBondContact O-N 3.41Å; I364-Y366 PolarHBondContact O-N 3.12Å |
| 365 | A | 57 | Low | 59.1 | Low | 87 Ų | 87 | 144.5 Ų | 144.5 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | | | trans | -67.8 | 121.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | E367 | A365-E367 PolarHBondContact O-N 2.87Š|
| 366 | Y | 55.5 | Low | 59.2 | Low | 216 Ų | 216 | 144 Ų | 144 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | | | trans | -83.1 | 92.6 | 164.5 | -76.2 | -83.7 | 0 | 0 | 0 | 108.4 | I364 T368 | I364-Y366 PolarHBondContact O-N 3.12Å; Y366-T368 PolarHBondContact O-N 3.05Å |
| 367 | E | 50.7 | Low | 58.7 | Low | 184 Ų | 184 | 141.6 Ų | 141.6 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | | | trans | -88.1 | 77.9 | 173.7 | -162.4 | 166.6 | -144.1 | 0 | 0 | 108.2 | A365 | A365-E367 PolarHBondContact O-N 2.87Š|
| 368 | T | 52.7 | Low | 58.6 | Low | 114 Ų | 114 | 140.6 Ų | 140.6 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | | | trans | -158.2 | 54.1 | 178.8 | -21.1 | 0 | 0 | 0 | 0 | 114.7 | Y366 | Y366-T368 PolarHBondContact O-N 3.05Š|
| 369 | Y | 51.7 | Low | 58.6 | Low | 208 Ų | 208 | 139.6 Ų | 139.6 | 82% | 0.816 | 74% | 0.735 | S | S | * | * | | | trans | -147.9 | 21.4 | 168 | -93.6 | -75.4 | 0 | 0 | 0 | 115.7 | | |
| 370 | A | 54.1 | Low | 59 | Low | 94 Ų | 94 | 140.9 Ų | 140.9 | 78% | 0.777 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -14.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 371 | S | 55.1 | Low | 59.3 | Low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 1.9 | -170.5 | -34.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 372 | K | 55.8 | Low | 59.5 | Low | 176 Ų | 176 | 137.1 Ų | 137.1 | 77% | 0.765 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -111.3 | 0.6 | -178.8 | -108 | 174.1 | -178.6 | 174.4 | 0 | 115.2 | | |
| 373 | L | 55.3 | Low | 60.2 | Low | 111 Ų | 111 | 130.3 Ų | 130.3 | 58% | 0.581 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -97.6 | -19.4 | 178.3 | -99.8 | 149.6 | 0 | 0 | 0 | 113.9 | G375 R376 | L373-G375 VanDerWaalsContact C-N 3.29Å; L373-G375 PolarHBondContact O-N 3.49Å; L373-R376 PolarHBondContact O-N 3.25Å; L373-R376 VanDerWaalsContact O-N 3.16Å |
| 374 | A | 58.1 | Low | 61.1 | Low | 81 Ų | 81 | 127.5 Ų | 127.5 | 67% | 0.669 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -30.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 375 | G | 55.8 | Low | 61.7 | Low | 58 Ų | 58 | 126 Ų | 126 | 60% | 0.598 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L373 T378 | L373-G375 VanDerWaalsContact C-N 3.29Å; L373-G375 PolarHBondContact O-N 3.49Å; G375-T378 PolarHBondContact O-OG1 3.35Å |
| 376 | R | 58.1 | Low | 62.4 | Low | 191 Ų | 191 | 127.3 Ų | 127.3 | 72% | 0.721 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -19.2 | 179.1 | -84 | -175.2 | 159.2 | -177.6 | -5.4 | 113.6 | L373 | L373-R376 PolarHBondContact O-N 3.25Å; L373-R376 VanDerWaalsContact O-N 3.16Å |
| 377 | L | 58.5 | Low | 63 | Low | 104 Ų | 104 | 121.7 Ų | 121.7 | 55% | 0.545 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -73.4 | -25.6 | 175.1 | -104.8 | 90.7 | 0 | 0 | 0 | 113.3 | H381 | L377-H381 PolarHBondContact O-N 2.65Å; L377-H381 PolarHBondContact O-ND1 3.31Å |
| 378 | T | 68.2 | Low | 63.6 | Low | 86 Ų | 86 | 116.3 Ų | 116.3 | 53% | 0.528 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -71.3 | -31.9 | 177.4 | 49.7 | 0 | 0 | 0 | 0 | 112.6 | G375 L382 | G375-T378 PolarHBondContact O-OG1 3.35Å; T378-L382 PolarHBondContact O-N 3.33Å |
| 379 | L | 70.2 | Confident | 63.9 | Low | 113 Ų | 113 | 115.9 Ų | 115.9 | 59% | 0.592 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.1 | -31.4 | 177.6 | -156.9 | 82.2 | 0 | 0 | 0 | 112.5 | L383 | L379-L383 WeakPolarHBondContact O-CG 3.43Å; L379-L383 PolarHBondContact O-N 3.23Å; L379-L383 VanDerWaalsContact O-N 3.17Å |
| 380 | L | 73.4 | Confident | 64.3 | Low | 123 Ų | 123 | 110.9 Ų | 110.9 | 64% | 0.644 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -73.5 | -35.7 | 176.6 | -80.5 | 169.7 | 0 | 0 | 0 | 112.4 | L383 H384 | L380-L383 PolarHBondContact O-N 3.1Å; L380-H384 PolarHBondContact O-N 3.22Å; L380-H384 VanDerWaalsContact O-N 3.1Å |
| 381 | H | 72.6 | Confident | 64.2 | Low | 125 Ų | 125 | 115.4 Ų | 115.4 | 58% | 0.579 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.7 | -42.7 | 172.9 | -79.9 | 123 | 0 | 0 | 0 | 112 | L377 L383 H384 D385 | L377-H381 PolarHBondContact O-N 2.65Å; L377-H381 PolarHBondContact O-ND1 3.31Å; H381-L383 VanDerWaalsContact C-N 3.31Å; H381-L383 PolarHBondContact O-N 3.1Å; H381-H384 PolarHBondContact O-N 3.33Å; H381-H384 VanDerWaalsContact O-N 3.13Å; H381-D385 PolarHBondContact O-N 3Å; H381-D385 VanDerWaalsContact O-N 3.08Å |
| 382 | L | 70.9 | Confident | 64.2 | Low | 108 Ų | 108 | 115 Ų | 115 | 57% | 0.565 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.8 | -35.6 | 176.1 | -83.7 | 161.6 | 0 | 0 | 0 | 113.4 | T378 L386 | T378-L382 PolarHBondContact O-N 3.33Å; L382-L386 WeakPolarHBondContact O-CD1 3.5Å; L382-L386 PolarHBondContact O-N 3.29Å |
| 383 | L | 74.3 | Confident | 64.1 | Low | 98 Ų | 98 | 115.3 Ų | 115.3 | 51% | 0.513 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -73.8 | -30 | 175.8 | -76.4 | 167.6 | 0 | 0 | 0 | 112.8 | L379 L380 H381 C387 | L379-L383 WeakPolarHBondContact O-CG 3.43Å; L379-L383 PolarHBondContact O-N 3.23Å; L379-L383 VanDerWaalsContact O-N 3.17Å; L380-L383 PolarHBondContact O-N 3.1Å; H381-L383 VanDerWaalsContact C-N 3.31Å; H381-L383 PolarHBondContact O-N 3.1Å; L383-C387 PolarHBondContact O-N 3.37Å |
| 384 | H | 76.1 | Confident | 63.8 | Low | 142 Ų | 142 | 116.7 Ų | 116.7 | 66% | 0.657 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.8 | -37.4 | 176.8 | -147 | -92.7 | 0 | 0 | 0 | 111.5 | L380 H381 C387 A388 | L380-H384 PolarHBondContact O-N 3.22Å; L380-H384 VanDerWaalsContact O-N 3.1Å; H381-H384 PolarHBondContact O-N 3.33Å; H381-H384 VanDerWaalsContact O-N 3.13Å; H384-C387 PolarHBondContact O-N 3.43Å; H384-A388 PolarHBondContact O-N 3.28Å |
| 385 | D | 72.1 | Confident | 63.4 | Low | 107 Ų | 107 | 118.6 Ų | 118.6 | 57% | 0.572 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71 | -35.8 | 176.7 | -69.7 | -20.6 | 0 | 0 | 0 | 112.6 | H381 C387 A388 S389 | H381-D385 PolarHBondContact O-N 3Å; H381-D385 VanDerWaalsContact O-N 3.08Å; D385-C387 VanDerWaalsContact C-N 3.35Å; D385-C387 PolarHBondContact O-N 3.39Å; D385-A388 PolarHBondContact O-N 3.44Å; D385-S389 PolarHBondContact O-N 3.49Å; D385-S389 VanDerWaalsContact O-N 3.15Å |
| 386 | L | 72.1 | Confident | 63.2 | Low | 116 Ų | 116 | 125.4 Ų | 125.4 | 61% | 0.607 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -66.5 | -34.2 | 173.4 | -81.1 | 161.7 | 0 | 0 | 0 | 112.7 | L382 S390 | L382-L386 WeakPolarHBondContact O-CD1 3.5Å; L382-L386 PolarHBondContact O-N 3.29Å; L386-S390 PolarHBondContact O-OG 3.3Å |
| 387 | C | 66.3 | Low | 63 | Low | 98 Ų | 98 | 120 Ų | 120 | 66% | 0.662 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -73.9 | -32.9 | 174.2 | -90.4 | 0 | 0 | 0 | 0 | 112.9 | L383 H384 D385 | L383-C387 PolarHBondContact O-N 3.37Å; H384-C387 PolarHBondContact O-N 3.43Å; D385-C387 VanDerWaalsContact C-N 3.35Å; D385-C387 PolarHBondContact O-N 3.39Å |
| 388 | A | 64 | Low | 63.1 | Low | 70 Ų | 70 | 124.6 Ų | 124.6 | 58% | 0.579 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -71.9 | -32.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | H384 D385 S390 | H384-A388 PolarHBondContact O-N 3.28Å; D385-A388 PolarHBondContact O-N 3.44Å; A388-S390 VanDerWaalsContact C-N 3.26Å; A388-S390 PolarHBondContact O-N 3.29Å |
| 389 | S | 60.3 | Low | 62.5 | Low | 106 Ų | 106 | 129.4 Ų | 129.4 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -10 | 179.3 | -170.2 | 0 | 0 | 0 | 0 | 114.5 | D385 | D385-S389 PolarHBondContact O-N 3.49Å; D385-S389 VanDerWaalsContact O-N 3.15Å |
| 390 | S | 59 | Low | 62.3 | Low | 103 Ų | 103 | 129.7 Ų | 129.7 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 1.7 | -175.2 | -52.9 | 0 | 0 | 0 | 0 | 113.9 | L386 A388 | L386-S390 PolarHBondContact O-OG 3.3Å; A388-S390 VanDerWaalsContact C-N 3.26Å; A388-S390 PolarHBondContact O-N 3.29Å |
| 391 | F | 52.3 | Low | 61.6 | Low | 188 Ų | 188 | 130 Ų | 130 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -109.5 | 31.8 | -172.2 | -163.2 | -103.2 | 0 | 0 | 0 | 114.2 | | |
| 392 | S | 55.1 | Low | 61.1 | Low | 112 Ų | 112 | 134.6 Ų | 134.6 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | | | trans | -135.1 | 70.1 | 176 | -67.3 | 0 | 0 | 0 | 0 | 111 | | |
| 393 | Q | 52.7 | Low | 60.8 | Low | 182 Ų | 182 | 138.5 Ų | 138.5 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | | | trans | -154.7 | 139.6 | 162.9 | -120.7 | 170.7 | 12.6 | 0 | 0 | 110.2 | | |
| 394 | T | 49.9 | Very low | 60.3 | Low | 140 Ų | 140 | 140.2 Ų | 140.2 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | | | trans | 82.7 | 79 | 172.5 | 79.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 395 | S | 49.9 | Very low | 59.8 | Low | 120 Ų | 120 | 138.9 Ų | 138.9 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | | | trans | -139.3 | 65.7 | 150.3 | 70.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 396 | E | 52.1 | Low | 59.1 | Low | 201 Ų | 201 | 143 Ų | 143 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | | | trans | -139.8 | 135.7 | 162.5 | -75.3 | -158.6 | 155.1 | 0 | 0 | 108.6 | | |
| 397 | G | 52.9 | Low | 58.6 | Low | 77 Ų | 77 | 141.5 Ų | 141.5 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | | | trans | 119.9 | 61.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 398 | K | 59.8 | Low | 58.6 | Low | 202 Ų | 202 | 140.4 Ų | 140.4 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | | | trans | -139.2 | 87.7 | 152.5 | -119.7 | 177.7 | -176 | 177.2 | 0 | 109.6 | V400 | K398-V400 PolarHBondContact O-N 3.34Š|
| 399 | E | 57.2 | Low | 58.5 | Low | 187 Ų | 187 | 147.7 Ų | 147.7 | 87% | 0.874 | 85% | 0.851 | S | S | * | * | | | trans | -66.1 | 116.7 | 168.4 | -167.4 | 171.7 | -176.7 | 0 | 0 | 108.4 | | |
| 400 | V | 64.4 | Low | 58.4 | Low | 118 Ų | 118 | 149.8 Ų | 149.8 | 72% | 0.715 | 86% | 0.856 | S | S | * | * | | | trans | -100.2 | 102.1 | 174.5 | 172.5 | 0 | 0 | 0 | 0 | 107 | K398 R402 | K398-V400 PolarHBondContact O-N 3.34Å; V400-R402 PolarHBondContact O-N 3.09Å |
| 401 | T | 59.5 | Low | 58.3 | Low | 129 Ų | 129 | 152.2 Ų | 152.2 | 79% | 0.791 | 86% | 0.863 | S | S | * | * | | | trans | -66 | 107.3 | 169.2 | -16.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 402 | R | 62.7 | Low | 58.7 | Low | 223 Ų | 223 | 150.2 Ų | 150.2 | 84% | 0.842 | 87% | 0.865 | S | S | * | * | | | trans | -92.2 | 105.9 | 167.9 | -91.1 | -175.7 | 171.2 | 171 | -2.2 | 108.9 | V400 T404 | V400-R402 PolarHBondContact O-N 3.09Å; R402-T404 PolarHBondContact O-N 3.16Å |
| 403 | E | 63.2 | Low | 58.9 | Low | 190 Ų | 190 | 152.5 Ų | 152.5 | 89% | 0.888 | 87% | 0.87 | S | S | * | * | | | trans | -66.2 | 124.4 | 161.1 | -65.7 | -160.4 | 150.8 | 0 | 0 | 109.5 | | |
| 404 | T | 65.7 | Low | 59.3 | Low | 134 Ų | 134 | 150.6 Ų | 150.6 | 82% | 0.822 | 87% | 0.871 | S | S | * | * | | | trans | -102.1 | 103.6 | 170.5 | -56.2 | 0 | 0 | 0 | 0 | 107.1 | R402 | R402-T404 PolarHBondContact O-N 3.16Š|
| 405 | S | 64.8 | Low | 59.9 | Low | 114 Ų | 114 | 151.3 Ų | 151.3 | 80% | 0.797 | 87% | 0.872 | S | S | * | * | | | trans | -73.8 | 125 | 171.5 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 406 | Q | 58 | Low | 60.6 | Low | 192 Ų | 192 | 153.6 Ų | 153.6 | 90% | 0.897 | 87% | 0.874 | S | S | * | * | | | trans | -67 | 149.6 | 166 | -75.4 | 177.2 | -35.9 | 0 | 0 | 110.8 | | |
| 407 | G | 61.3 | Low | 61.3 | Low | 85 Ų | 85 | 149.9 Ų | 149.9 | 88% | 0.876 | 87% | 0.87 | S | S | * | * | | | trans | 145.5 | 93.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 408 | G | 66.3 | Low | 62 | Low | 76 Ų | 76 | 156 Ų | 156 | 78% | 0.784 | 88% | 0.876 | S | S | * | * | | | trans | -154.7 | 98.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 409 | V | 60.9 | Low | 62.2 | Low | 222 Ų | 222 | 151.8 Ų | 151.8 | 100% | 1.345 | 88% | 0.876 | S | S | * | * | | | trans | -120.9 | 0 | 139 | 174.9 | 0 | 0 | 0 | 0 | 105.6 | | |