| 1 | M | 60.8 | Low | 75.9 | Confident | 252 Ų | 252 | 166 Ų | 166 | 100% | 1.241 | 88% | 0.875 | S | S | * | * | | | | 0 | 115.1 | 0 | -171.1 | 154.2 | 165.5 | 0 | 0 | 107.5 | | |
| 2 | A | 69.6 | Low | 75.3 | Confident | 102 Ų | 102 | 163.8 Ų | 163.8 | 84% | 0.843 | 87% | 0.873 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 129.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 3 | H | 78.3 | Confident | 74.7 | Confident | 193 Ų | 193 | 156.2 Ų | 156.2 | 89% | 0.894 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 126.8 | -179.1 | -132.8 | -52.5 | 0 | 0 | 0 | 110.3 | | |
| 4 | T | 79.2 | Confident | 74.4 | Confident | 128 Ų | 128 | 150.2 Ų | 150.2 | 79% | 0.785 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 139.3 | 173 | 54.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 5 | K | 81.2 | Confident | 73.9 | Confident | 193 Ų | 193 | 154.1 Ų | 154.1 | 84% | 0.839 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 121.2 | 175.7 | -173.7 | -178.4 | -178.8 | -171.3 | 0 | 109.6 | T7 | K5-T7 PolarHBondContact O-N 3.45Š|
| 6 | Q | 84.8 | Confident | 73.5 | Confident | 190 Ų | 190 | 152.6 Ų | 152.6 | 89% | 0.888 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 122.3 | 172 | -174.2 | 131.5 | 17.3 | 0 | 0 | 110.2 | | |
| 7 | T | 77.3 | Confident | 73.4 | Confident | 102 Ų | 102 | 151.9 Ų | 151.9 | 63% | 0.626 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 142.4 | 172.3 | 54.8 | 0 | 0 | 0 | 0 | 110.2 | K5 R9 | K5-T7 PolarHBondContact O-N 3.45Å; T7-R9 PolarHBondContact O-N 3.33Å |
| 8 | A | 77.4 | Confident | 73.2 | Confident | 108 Ų | 108 | 156 Ų | 156 | 89% | 0.893 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 125.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 9 | R | 77.4 | Confident | 73.1 | Confident | 234 Ų | 234 | 157.6 Ų | 157.6 | 88% | 0.883 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 132.1 | 175.5 | -60.1 | 178.7 | 79.6 | -172.8 | 5.1 | 108.9 | T7 | T7-R9 PolarHBondContact O-N 3.33Š|
| 10 | K | 75 | Confident | 72.9 | Confident | 201 Ų | 201 | 159.6 Ų | 159.6 | 87% | 0.874 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 130.1 | 174.2 | -58.5 | -179.6 | -176 | -178.9 | 0 | 109 | T12 | K10-T12 PolarHBondContact O-N 3.49Š|
| 11 | S | 74.3 | Confident | 72.9 | Confident | 123 Ų | 123 | 159.4 Ų | 159.4 | 86% | 0.86 | 85% | 0.851 | S | S | * | * | | | trans | -80.6 | 104.1 | 168.6 | 47.9 | 0 | 0 | 0 | 0 | 109 | | |
| 12 | T | 68.8 | Low | 73.4 | Confident | 139 Ų | 139 | 152.3 Ų | 152.3 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | | | trans | -87.9 | 111.6 | 173.5 | -54.2 | 0 | 0 | 0 | 0 | 109.3 | K10 | K10-T12 PolarHBondContact O-N 3.49Š|
| 13 | G | 66.7 | Low | 73.1 | Confident | 65 Ų | 65 | 154.3 Ų | 154.3 | 67% | 0.67 | 83% | 0.834 | S | S | * | * | | | trans | 90.3 | 78.8 | 153.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | K15 | G13-K15 PolarHBondContact O-N 3.48Š|
| 14 | G | 70.2 | Confident | 72.7 | Confident | 73 Ų | 73 | 155 Ų | 155 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | | | trans | -56.5 | 124.5 | 153.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | T16 | G14-T16 PolarHBondContact O-N 3.22Š|
| 15 | K | 67 | Low | 72.4 | Confident | 208 Ų | 208 | 152.7 Ų | 152.7 | 90% | 0.904 | 83% | 0.828 | S | S | * | * | | | trans | -54.3 | 109.9 | 171.6 | -84.9 | 175.8 | 176.1 | 173.1 | 0 | 107.4 | G13 T17 | G13-K15 PolarHBondContact O-N 3.48Å; K15-T17 PolarHBondContact O-N 3.26Å |
| 16 | T | 68.7 | Low | 71.7 | Confident | 131 Ų | 131 | 148.1 Ų | 148.1 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | | | trans | -57.2 | 128.3 | 176 | 43.5 | 0 | 0 | 0 | 0 | 108.7 | G14 R18 | G14-T16 PolarHBondContact O-N 3.22Å; T16-R18 VanDerWaalsContact C-N 3.34Å; T16-R18 PolarHBondContact O-N 2.95Å |
| 17 | T | 70.8 | Confident | 70.9 | Confident | 141 Ų | 141 | 150 Ų | 150 | 87% | 0.865 | 83% | 0.826 | S | S | * | * | | | trans | -62.9 | 99.3 | 173.3 | -35.6 | 0 | 0 | 0 | 0 | 106.8 | K15 K19 | K15-T17 PolarHBondContact O-N 3.26Å; T17-K19 PolarHBondContact O-N 2.74Å |
| 18 | R | 71.1 | Confident | 70.2 | Confident | 225 Ų | 225 | 154.7 Ų | 154.7 | 85% | 0.849 | 84% | 0.838 | S | S | * | * | | | trans | -57.9 | 114 | 178.9 | -175.9 | -178.5 | -67.5 | -105 | 1 | 107 | T16 Q20 | T16-R18 VanDerWaalsContact C-N 3.34Å; T16-R18 PolarHBondContact O-N 2.95Å; R18-Q20 PolarHBondContact O-N 3.01Å |
| 19 | K | 69.7 | Low | 69.6 | Low | 186 Ų | 186 | 154.5 Ų | 154.5 | 81% | 0.809 | 83% | 0.83 | S | S | * | * | | | trans | -44.5 | 115 | 168.9 | -79.5 | -178.5 | 173.5 | -179.6 | 0 | 107.7 | T17 L21 | T17-K19 PolarHBondContact O-N 2.74Å; K19-L21 PolarHBondContact O-N 3.1Å |
| 20 | Q | 69.4 | Low | 69.1 | Low | 197 Ų | 197 | 149.5 Ų | 149.5 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | | | trans | -66.1 | 101 | 172.1 | -80.6 | -168.2 | 0.6 | 0 | 0 | 107.4 | R18 | R18-Q20 PolarHBondContact O-N 3.01Š|
| 21 | L | 72.3 | Confident | 68.7 | Low | 157 Ų | 157 | 144.5 Ų | 144.5 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | | | trans | -71.3 | 125.7 | 165.8 | -68.5 | 171.9 | 0 | 0 | 0 | 107.3 | K19 T23 | K19-L21 PolarHBondContact O-N 3.1Å; L21-T23 PolarHBondContact O-N 2.97Å |
| 22 | A | 73.1 | Confident | 68.1 | Low | 103 Ų | 103 | 143 Ų | 143 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | | | trans | -54 | 126.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | K24 | A22-K24 PolarHBondContact O-N 3.02Š|
| 23 | T | 62.3 | Low | 67.9 | Low | 143 Ų | 143 | 142.2 Ų | 142.2 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | | | trans | -72.9 | 110.9 | 177.5 | 34.4 | 0 | 0 | 0 | 0 | 110.2 | L21 | L21-T23 PolarHBondContact O-N 2.97Š|
| 24 | K | 71 | Confident | 67.6 | Low | 208 Ų | 208 | 144.6 Ų | 144.6 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | | | trans | -101.8 | 82.2 | 166.6 | -154.5 | 174.2 | -175.2 | -179.5 | 0 | 109.5 | A22 A26 | A22-K24 PolarHBondContact O-N 3.02Å; K24-A26 PolarHBondContact O-N 2.88Å |
| 25 | A | 71.3 | Confident | 67.2 | Low | 79 Ų | 79 | 144.5 Ų | 144.5 | 65% | 0.653 | 81% | 0.809 | S | S | * | * | | | trans | -80.6 | 103 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | R27 | A25-R27 VanDerWaalsContact C-N 3.28Å; A25-R27 PolarHBondContact O-N 2.88Å |
| 26 | A | 67 | Low | 67 | Low | 97 Ų | 97 | 140.6 Ų | 140.6 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | -74.3 | 87.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | K24 K28 | K24-A26 PolarHBondContact O-N 2.88Å; A26-K28 PolarHBondContact O-N 3.19Å; A26-K28 VanDerWaalsContact O-N 3.16Å |
| 27 | R | 67.3 | Low | 67.2 | Low | 229 Ų | 229 | 143.9 Ų | 143.9 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | | | trans | -67.1 | 108.7 | 169.6 | -70.5 | -176.2 | -93.7 | -170.5 | -5.6 | 107.5 | A25 S29 | A25-R27 VanDerWaalsContact C-N 3.28Å; A25-R27 PolarHBondContact O-N 2.88Å; R27-S29 PolarHBondContact O-N 3.42Å; R27-S29 VanDerWaalsContact O-N 3.15Å |
| 28 | K | 64.3 | Low | 67.3 | Low | 202 Ų | 202 | 146.7 Ų | 146.7 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | | | trans | -68.3 | 108.2 | 159.1 | -71.4 | -171.2 | -179 | -177.5 | 0 | 106.1 | A26 V30 | A26-K28 PolarHBondContact O-N 3.19Å; A26-K28 VanDerWaalsContact O-N 3.16Å; K28-V30 PolarHBondContact O-N 3.43Å; K28-V30 VanDerWaalsContact O-N 3.11Å |
| 29 | S | 63.9 | Low | 67.5 | Low | 104 Ų | 104 | 141.4 Ų | 141.4 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -59.3 | 114.2 | 164.8 | 58.3 | 0 | 0 | 0 | 0 | 107.1 | R27 P31 | R27-S29 PolarHBondContact O-N 3.42Å; R27-S29 VanDerWaalsContact O-N 3.15Å; S29-P31 VanDerWaalsContact O-CD 3.3Å; S29-P31 WeakPolarHBondContact O-CD 3.37Å |
| 30 | V | 66.4 | Low | 67.8 | Low | 128 Ų | 128 | 140.9 Ų | 140.9 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -62.6 | 117.5 | 160.5 | -174.8 | 0 | 0 | 0 | 0 | 104.8 | K28 A32 | K28-V30 PolarHBondContact O-N 3.43Å; K28-V30 VanDerWaalsContact O-N 3.11Å; V30-A32 PolarHBondContact O-N 2.89Å; V30-A32 VanDerWaalsContact O-N 3.14Å |
| 31 | P | 66.4 | Low | 68.1 | Low | 97 Ų | 97 | 142.6 Ų | 142.6 | 63% | 0.63 | 80% | 0.798 | S | S | * | * | | | trans | -63 | 121.5 | 168.9 | 26.1 | -27.3 | 0 | 0 | 0 | 105.5 | S29 T33 | S29-P31 VanDerWaalsContact O-CD 3.3Å; S29-P31 WeakPolarHBondContact O-CD 3.37Å; P31-T33 VanDerWaalsContact C-N 3.3Å; P31-T33 PolarHBondContact O-N 3.41Å |
| 32 | A | 63.6 | Low | 68.2 | Low | 91 Ų | 91 | 144 Ų | 144 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | trans | -57.4 | 100.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | V30 S34 | V30-A32 PolarHBondContact O-N 2.89Å; V30-A32 VanDerWaalsContact O-N 3.14Å; A32-S34 PolarHBondContact O-N 3.41Å |
| 33 | T | 63.4 | Low | 68.2 | Low | 123 Ų | 123 | 150 Ų | 150 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -72.2 | 78.9 | 179.7 | 32 | 0 | 0 | 0 | 0 | 108.9 | P31 | P31-T33 VanDerWaalsContact C-N 3.3Å; P31-T33 PolarHBondContact O-N 3.41Å |
| 34 | S | 61.3 | Low | 68.5 | Low | 114 Ų | 114 | 148.6 Ų | 148.6 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | -108 | 94.8 | 163.6 | 50 | 0 | 0 | 0 | 0 | 108.8 | A32 | A32-S34 PolarHBondContact O-N 3.41Š|
| 35 | G | 62 | Low | 68.2 | Low | 72 Ų | 72 | 141.1 Ų | 141.1 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | | | trans | 119.4 | 68.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | K37 | G35-K37 PolarHBondContact O-N 2.97Š|
| 36 | V | 62 | Low | 67.6 | Low | 126 Ų | 126 | 144.5 Ų | 144.5 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | | | trans | -72.9 | 91.4 | 169.9 | -169.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 37 | K | 71.8 | Confident | 67.3 | Low | 200 Ų | 200 | 142.9 Ų | 142.9 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | | | trans | -67.2 | 135.4 | 166.6 | -149.7 | 179.6 | -173 | -179 | 0 | 107.9 | G35 | G35-K37 PolarHBondContact O-N 2.97Š|
| 38 | K | 74.6 | Confident | 66.9 | Low | 200 Ų | 200 | 140.5 Ų | 140.5 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | | | trans | -44.8 | 125.6 | -175.8 | -82.1 | 178.7 | 177.3 | 176.4 | 0 | 111.3 | H40 | K38-H40 PolarHBondContact O-N 2.98Å; K38-H40 VanDerWaalsContact O-N 3.08Å |
| 39 | P | 75.2 | Confident | 66.5 | Low | 114 Ų | 114 | 137.2 Ų | 137.2 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | | | trans | -63.8 | 115.3 | 178.2 | 3.1 | 0.3 | 0 | 0 | 0 | 109.6 | R41 | P39-R41 PolarHBondContact O-N 3.4Å; P39-R41 VanDerWaalsContact O-N 3.14Å |
| 40 | H | 75.1 | Confident | 66 | Low | 174 Ų | 174 | 139 Ų | 139 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | | | trans | -65.6 | 110 | 169.2 | -179 | -87.3 | 0 | 0 | 0 | 107.4 | K38 Y42 | K38-H40 PolarHBondContact O-N 2.98Å; K38-H40 VanDerWaalsContact O-N 3.08Å; H40-Y42 PolarHBondContact O-N 3.26Å |
| 41 | R | 76.4 | Confident | 65.6 | Low | 233 Ų | 233 | 139.9 Ų | 139.9 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | | | trans | -57.3 | 110 | 178.6 | -79.7 | -177.8 | 173.9 | -177.2 | -2.5 | 108.9 | P39 | P39-R41 PolarHBondContact O-N 3.4Å; P39-R41 VanDerWaalsContact O-N 3.14Å |
| 42 | Y | 74.4 | Confident | 65.5 | Low | 186 Ų | 186 | 143.8 Ų | 143.8 | 73% | 0.729 | 78% | 0.782 | S | S | * | * | | | trans | -73.8 | 127.8 | 171 | -158.6 | -96.4 | 0 | 0 | 0 | 108.3 | H40 P44 | H40-Y42 PolarHBondContact O-N 3.26Å; Y42-P44 WeakPolarHBondContact O-CD 3.41Å |
| 43 | R | 72.3 | Confident | 65.4 | Low | 230 Ų | 230 | 143.1 Ų | 143.1 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | | | trans | -83.4 | 113.4 | 167.8 | -69.4 | -173.2 | 175 | -142.4 | 0.5 | 106.8 | G45 | R43-G45 PolarHBondContact O-N 2.97Š|
| 44 | P | 69.2 | Low | 65.3 | Low | 113 Ų | 113 | 143.8 Ų | 143.8 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | -70.2 | 100.3 | 177.9 | 27.8 | -31.3 | 0 | 0 | 0 | 108.9 | Y42 | Y42-P44 WeakPolarHBondContact O-CD 3.41Š|
| 45 | G | 64.5 | Low | 65.3 | Low | 52 Ų | 52 | 146.3 Ų | 146.3 | 54% | 0.536 | 78% | 0.775 | S | S | . | * | | | trans | -96.8 | 109.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | R43 G47 | R43-G45 PolarHBondContact O-N 2.97Å; G45-G47 PolarHBondContact O-N 2.97Å |
| 46 | T | 59.4 | Low | 65.1 | Low | 150 Ų | 150 | 148.8 Ų | 148.8 | 92% | 0.92 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 41.2 | 4.6 | 154.9 | -20.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 47 | G | 60.7 | Low | 65 | Low | 62 Ų | 62 | 148 Ų | 148 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -128.3 | 4.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G45 | G45-G47 PolarHBondContact O-N 2.97Š|
| 48 | F | 58.1 | Low | 64.6 | Low | 180 Ų | 180 | 145.3 Ų | 145.3 | 79% | 0.789 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -110 | 2.6 | -178.8 | -150.5 | -96.3 | 0 | 0 | 0 | 113.8 | | |
| 49 | T | 55.4 | Low | 64.1 | Low | 133 Ų | 133 | 142.7 Ų | 142.7 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | | | trans | -102.8 | 58.3 | 172.7 | 54.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 50 | L | 53.1 | Low | 63.5 | Low | 141 Ų | 141 | 139.7 Ų | 139.7 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | | | trans | -120.6 | 103.6 | 173.5 | -164.2 | 68.4 | 0 | 0 | 0 | 108.6 | | |
| 51 | L | 59.9 | Low | 63.3 | Low | 147 Ų | 147 | 132.8 Ų | 132.8 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | | | trans | 65.7 | 70.9 | 153.4 | -53 | 173.2 | 0 | 0 | 0 | 117.8 | | |
| 52 | I | 64.3 | Low | 63.2 | Low | 179 Ų | 179 | 124.3 Ų | 124.3 | 92% | 0.918 | 68% | 0.678 | S | S | * | * | | | trans | -125.6 | 72.7 | 148.5 | -50.6 | 176.3 | 0 | 0 | 0 | 107.7 | | |
| 53 | A | 61.3 | Low | 63.3 | Low | 77 Ų | 77 | 120.5 Ų | 120.5 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | | | trans | -148.9 | 122 | 168.3 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 54 | D | 59.9 | Low | 63.4 | Low | 136 Ų | 136 | 114.6 Ų | 114.6 | 73% | 0.727 | 66% | 0.655 | S | S | * | * | S | Bend | trans | 165.5 | -27.5 | 145.2 | -81 | -23.8 | 0 | 0 | 0 | 113.8 | T56 | D54-T56 VanDerWaalsContact C-N 3.34Å; D54-T56 PolarHBondContact O-N 3.46Å |
| 55 | E | 62.4 | Low | 63.8 | Low | 167 Ų | 167 | 116.2 Ų | 116.2 | 78% | 0.78 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.2 | -17.1 | -172.1 | -76.7 | -169.9 | 165.5 | 0 | 0 | 116.2 | | |
| 56 | T | 57.1 | Low | 64.3 | Low | 124 Ų | 124 | 117.2 Ų | 117.2 | 76% | 0.761 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -89.1 | -22 | -177.5 | 55.8 | 0 | 0 | 0 | 0 | 113.5 | D54 S60 | D54-T56 VanDerWaalsContact C-N 3.34Å; D54-T56 PolarHBondContact O-N 3.46Å; T56-S60 PolarHBondContact O-OG 3.38Å |
| 57 | N | 60.6 | Low | 65.3 | Low | 109 Ų | 109 | 116 Ų | 116 | 58% | 0.583 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -78.6 | -34.7 | -176.5 | -169.7 | 2.2 | 0 | 0 | 0 | 112.3 | K59 S60 A61 | N57-K59 PolarHBondContact O-N 2.76Å; N57-S60 PolarHBondContact O-N 3.5Å; N57-S60 PolarHBondContact O-OG 2.88Å; N57-A61 WeakPolarHBondContact O-CB 3.33Å; N57-A61 PolarHBondContact O-N 3.44Å |
| 58 | E | 62.8 | Low | 66.1 | Low | 144 Ų | 144 | 119.3 Ų | 119.3 | 67% | 0.673 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.6 | -34.5 | -176.3 | -164.1 | 172.1 | -167.3 | 0 | 0 | 112.9 | A61 S62 | E58-A61 PolarHBondContact O-N 2.9Å; E58-S62 PolarHBondContact O-N 2.99Å; E58-S62 PolarHBondContact O-OG 3.46Å |
| 59 | K | 64.5 | Low | 67 | Low | 145 Ų | 145 | 116.9 Ų | 116.9 | 63% | 0.63 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.8 | -36.7 | 176.9 | -68.9 | 174.9 | -176 | 162.7 | 0 | 112.6 | N57 S62 L63 | N57-K59 PolarHBondContact O-N 2.76Å; K59-S62 PolarHBondContact O-OG 3.49Å; K59-S62 VanDerWaalsContact O-OG 3.07Å; K59-L63 WeakPolarHBondContact O-CG 3.44Å; K59-L63 PolarHBondContact O-N 3.42Å |
| 60 | S | 62 | Low | 68.3 | Low | 52 Ų | 52 | 115.1 Ų | 115.1 | 36% | 0.364 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71.4 | -37.7 | 174.2 | 58.3 | 0 | 0 | 0 | 0 | 110.8 | T56 N57 N64 | T56-S60 PolarHBondContact O-OG 3.38Å; N57-S60 PolarHBondContact O-N 3.5Å; N57-S60 PolarHBondContact O-OG 2.88Å; S60-N64 PolarHBondContact O-N 3.41Å; S60-N64 PolarHBondContact O-ND2 3.19Å |
| 61 | A | 71.2 | Confident | 69.3 | Low | 29 Ų | 29 | 117.1 Ų | 117.1 | 24% | 0.24 | 60% | 0.601 | C | S | . | * | H | α-helix | trans | -63.9 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N57 E58 R65 | N57-A61 WeakPolarHBondContact O-CB 3.33Å; N57-A61 PolarHBondContact O-N 3.44Å; E58-A61 PolarHBondContact O-N 2.9Å; A61-R65 WeakPolarHBondContact O-CG 3.45Å; A61-R65 PolarHBondContact O-N 3.1Å |
| 62 | S | 74.2 | Confident | 70.1 | Confident | 54 Ų | 54 | 113.7 Ų | 113.7 | 38% | 0.378 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.4 | -39.2 | 178.5 | 68.4 | 0 | 0 | 0 | 0 | 113.1 | E58 K59 R65 C66 | E58-S62 PolarHBondContact O-N 2.99Å; E58-S62 PolarHBondContact O-OG 3.46Å; K59-S62 PolarHBondContact O-OG 3.49Å; K59-S62 VanDerWaalsContact O-OG 3.07Å; S62-R65 PolarHBondContact O-N 3.13Å; S62-C66 WeakPolarHBondContact O-CB 3.37Å; S62-C66 PolarHBondContact O-N 3.33Å |
| 63 | L | 76 | Confident | 70.9 | Confident | 107 Ų | 107 | 111.7 Ų | 111.7 | 56% | 0.56 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.9 | -47.2 | 174 | -77.5 | 169.6 | 0 | 0 | 0 | 111.4 | K59 R65 C66 F67 | K59-L63 WeakPolarHBondContact O-CG 3.44Å; K59-L63 PolarHBondContact O-N 3.42Å; L63-R65 VanDerWaalsContact C-N 3.33Å; L63-R65 PolarHBondContact O-N 3.47Å; L63-C66 WeakPolarHBondContact O-CB 3.41Å; L63-C66 PolarHBondContact O-N 2.98Å; L63-F67 WeakPolarHBondContact O-CD2 3.47Å; L63-F67 PolarHBondContact O-N 3.01Å |
| 64 | N | 74.4 | Confident | 71.6 | Confident | 106 Ų | 106 | 110.8 Ų | 110.8 | 57% | 0.567 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.4 | -40.3 | 177.7 | -76.2 | -56.5 | 0 | 0 | 0 | 112.2 | S60 F67 Q68 | S60-N64 PolarHBondContact O-N 3.41Å; S60-N64 PolarHBondContact O-ND2 3.19Å; N64-F67 PolarHBondContact O-N 2.97Å; N64-Q68 WeakPolarHBondContact O-CB 3.46Å; N64-Q68 PolarHBondContact O-N 3.43Å |
| 65 | R | 77.5 | Confident | 72.5 | Confident | 147 Ų | 147 | 106.2 Ų | 106.2 | 56% | 0.555 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.2 | -47.2 | 172.7 | -74.8 | -171.5 | -63 | -106.9 | 4.8 | 111.7 | A61 S62 L63 F67 Q68 E69 | A61-R65 WeakPolarHBondContact O-CG 3.45Å; A61-R65 PolarHBondContact O-N 3.1Å; S62-R65 PolarHBondContact O-N 3.13Å; L63-R65 VanDerWaalsContact C-N 3.33Å; L63-R65 PolarHBondContact O-N 3.47Å; R65-F67 VanDerWaalsContact C-N 3.34Å; R65-F67 PolarHBondContact O-N 3.34Å; R65-Q68 PolarHBondContact O-N 3.48Å; R65-E69 WeakPolarHBondContact O-CG 3.39Å; R65-E69 PolarHBondContact O-N 3.43Å |
| 66 | C | 76.6 | Confident | 73.2 | Confident | 73 Ų | 73 | 103 Ų | 103 | 49% | 0.493 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -56.7 | -47.4 | 178.1 | -164.6 | 0 | 0 | 0 | 0 | 111.7 | S62 L63 Q68 E69 D70 | S62-C66 WeakPolarHBondContact O-CB 3.37Å; S62-C66 PolarHBondContact O-N 3.33Å; L63-C66 WeakPolarHBondContact O-CB 3.41Å; L63-C66 PolarHBondContact O-N 2.98Å; C66-Q68 PolarHBondContact O-N 3.19Å; C66-E69 PolarHBondContact O-N 2.98Å; C66-D70 PolarHBondContact O-N 2.95Å; C66-D70 VanDerWaalsContact O-N 3.13Å |
| 67 | F | 78.7 | Confident | 74 | Confident | 125 Ų | 125 | 101.7 Ų | 101.7 | 55% | 0.548 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 176 | -79.4 | -68.8 | 0 | 0 | 0 | 112.6 | L63 N64 R65 E69 D70 Y71 | L63-F67 WeakPolarHBondContact O-CD2 3.47Å; L63-F67 PolarHBondContact O-N 3.01Å; N64-F67 PolarHBondContact O-N 2.97Å; R65-F67 VanDerWaalsContact C-N 3.34Å; R65-F67 PolarHBondContact O-N 3.34Å; F67-E69 PolarHBondContact O-N 3.07Å; F67-D70 PolarHBondContact O-N 3.4Å; F67-Y71 VanDerWaalsContact O-CD2 3.24Å; F67-Y71 WeakPolarHBondContact O-CD2 3.49Å; F67-Y71 PolarHBondContact O-N 3.17Å |
| 68 | Q | 78 | Confident | 74.8 | Confident | 130 Ų | 130 | 102 Ų | 102 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.6 | -45.4 | 179.4 | -164.8 | 87.2 | 20.8 | 0 | 0 | 111.7 | N64 R65 C66 D70 Y71 V72 | N64-Q68 WeakPolarHBondContact O-CB 3.46Å; N64-Q68 PolarHBondContact O-N 3.43Å; R65-Q68 PolarHBondContact O-N 3.48Å; C66-Q68 PolarHBondContact O-N 3.19Å; Q68-D70 VanDerWaalsContact C-N 3.35Å; Q68-D70 PolarHBondContact O-N 3.47Å; Q68-Y71 PolarHBondContact O-N 3.42Å; Q68-V72 WeakPolarHBondContact O-CG2 3.27Å; Q68-V72 PolarHBondContact O-N 3.41Å; Q68-V72 VanDerWaalsContact O-N 3.1Å |
| 69 | E | 77.9 | Confident | 75.3 | Confident | 130 Ų | 130 | 98.7 Ų | 98.7 | 61% | 0.607 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -40.4 | 178.6 | -67.8 | -61.2 | 141.2 | 0 | 0 | 111.8 | R65 C66 F67 Y71 V72 K73 | R65-E69 WeakPolarHBondContact O-CG 3.39Å; R65-E69 PolarHBondContact O-N 3.43Å; C66-E69 PolarHBondContact O-N 2.98Å; F67-E69 PolarHBondContact O-N 3.07Å; E69-Y71 PolarHBondContact O-N 3Å; E69-V72 PolarHBondContact O-N 3.48Å; E69-K73 VanDerWaalsContact O-CB 3.27Å; E69-K73 WeakPolarHBondContact O-CB 3.4Å; E69-K73 PolarHBondContact O-N 2.9Å |
| 70 | D | 81.1 | Confident | 75.9 | Confident | 95 Ų | 95 | 93.9 Ų | 93.9 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 177.4 | -76.6 | -24.8 | 0 | 0 | 0 | 112.2 | C66 F67 Q68 K73 A74 | C66-D70 PolarHBondContact O-N 2.95Å; C66-D70 VanDerWaalsContact O-N 3.13Å; F67-D70 PolarHBondContact O-N 3.4Å; Q68-D70 VanDerWaalsContact C-N 3.35Å; Q68-D70 PolarHBondContact O-N 3.47Å; D70-K73 PolarHBondContact O-N 3.27Å; D70-A74 VanDerWaalsContact O-CB 3.31Å; D70-A74 WeakPolarHBondContact O-CB 3.49Å; D70-A74 PolarHBondContact O-N 3.46Å |
| 71 | Y | 74.6 | Confident | 76.6 | Confident | 184 Ų | 184 | 95.8 Ų | 95.8 | 72% | 0.722 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.3 | -43.4 | 175.9 | -84.9 | -75 | 0 | 0 | 0 | 112.4 | F67 Q68 E69 K73 A74 G75 | F67-Y71 VanDerWaalsContact O-CD2 3.24Å; F67-Y71 WeakPolarHBondContact O-CD2 3.49Å; F67-Y71 PolarHBondContact O-N 3.17Å; Q68-Y71 PolarHBondContact O-N 3.42Å; E69-Y71 PolarHBondContact O-N 3Å; Y71-K73 VanDerWaalsContact C-N 3.35Å; Y71-A74 PolarHBondContact O-N 3.21Å; Y71-G75 PolarHBondContact O-N 3.37Å |
| 72 | V | 76.7 | Confident | 76.8 | Confident | 74 Ų | 74 | 98.4 Ų | 98.4 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | 177.6 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | Q68 E69 G75 N76 | Q68-V72 WeakPolarHBondContact O-CG2 3.27Å; Q68-V72 PolarHBondContact O-N 3.41Å; Q68-V72 VanDerWaalsContact O-N 3.1Å; E69-V72 PolarHBondContact O-N 3.48Å; V72-G75 PolarHBondContact O-N 3.38Å; V72-N76 WeakPolarHBondContact O-CB 3.36Å; V72-N76 PolarHBondContact O-N 2.99Å; V72-N76 PolarHBondContact O-ND2 3.28Å |
| 73 | K | 80.4 | Confident | 77 | Confident | 138 Ų | 138 | 103.6 Ų | 103.6 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.7 | -44.2 | 177.1 | -171.4 | 176.3 | -178.8 | -179.4 | 0 | 111.9 | E69 D70 Y71 N76 L77 | E69-K73 VanDerWaalsContact O-CB 3.27Å; E69-K73 WeakPolarHBondContact O-CB 3.4Å; E69-K73 PolarHBondContact O-N 2.9Å; D70-K73 PolarHBondContact O-N 3.27Å; Y71-K73 VanDerWaalsContact C-N 3.35Å; K73-N76 PolarHBondContact O-N 3.07Å; K73-L77 HydrophobicContact CG-CD1 4.1Å; K73-L77 WeakPolarHBondContact O-CB 3.31Å; K73-L77 WeakPolarHBondContact O-CD1 3.47Å; K73-L77 WeakPolarHBondContact O-CG 3.34Å; K73-L77 PolarHBondContact O-N 2.83Å |
| 74 | A | 76.6 | Confident | 77 | Confident | 58 Ų | 58 | 104.3 Ų | 104.3 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D70 Y71 L77 K78 | D70-A74 VanDerWaalsContact O-CB 3.31Å; D70-A74 WeakPolarHBondContact O-CB 3.49Å; D70-A74 PolarHBondContact O-N 3.46Å; Y71-A74 PolarHBondContact O-N 3.21Å; A74-L77 PolarHBondContact O-N 2.87Å; A74-K78 WeakPolarHBondContact O-CB 3.24Å; A74-K78 PolarHBondContact O-N 2.93Å |
| 75 | G | 80.2 | Confident | 77.1 | Confident | 40 Ų | 40 | 105.2 Ų | 105.2 | 41% | 0.412 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y71 V72 K78 L79 | Y71-G75 PolarHBondContact O-N 3.37Å; V72-G75 PolarHBondContact O-N 3.38Å; G75-K78 PolarHBondContact O-N 3.39Å; G75-L79 WeakPolarHBondContact O-CB 3.4Å; G75-L79 PolarHBondContact O-N 3.27Å |
| 76 | N | 76.2 | Confident | 76.9 | Confident | 99 Ų | 99 | 104.7 Ų | 104.7 | 53% | 0.529 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 177.2 | -79.3 | -30.5 | 0 | 0 | 0 | 112.5 | V72 K73 L79 A80 | V72-N76 WeakPolarHBondContact O-CB 3.36Å; V72-N76 PolarHBondContact O-N 2.99Å; V72-N76 PolarHBondContact O-ND2 3.28Å; K73-N76 PolarHBondContact O-N 3.07Å; N76-L79 PolarHBondContact O-N 2.99Å; N76-A80 WeakPolarHBondContact O-CB 3.16Å; N76-A80 PolarHBondContact O-N 3.37Å |
| 77 | L | 73.2 | Confident | 76.6 | Confident | 97 Ų | 97 | 110.8 Ų | 110.8 | 51% | 0.508 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.5 | -45.9 | 171.6 | -78.9 | 159.6 | 0 | 0 | 0 | 110.9 | K73 A74 L79 A80 E81 | K73-L77 HydrophobicContact CG-CD1 4.1Å; K73-L77 WeakPolarHBondContact O-CB 3.31Å; K73-L77 WeakPolarHBondContact O-CD1 3.47Å; K73-L77 WeakPolarHBondContact O-CG 3.34Å; K73-L77 PolarHBondContact O-N 2.83Å; A74-L77 PolarHBondContact O-N 2.87Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-L79 PolarHBondContact O-N 2.99Å; L77-A80 PolarHBondContact O-N 3.37Å; L77-E81 WeakPolarHBondContact O-CG 3.34Å; L77-E81 PolarHBondContact O-N 3.28Å |
| 78 | K | 77.2 | Confident | 76.5 | Confident | 116 Ų | 116 | 110.1 Ų | 110.1 | 50% | 0.504 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.7 | -38 | 177.9 | -163.5 | 72.2 | -150.4 | 153.5 | 0 | 112.8 | A74 G75 E81 L82 | A74-K78 WeakPolarHBondContact O-CB 3.24Å; A74-K78 PolarHBondContact O-N 2.93Å; G75-K78 PolarHBondContact O-N 3.39Å; K78-E81 IonicContact NZ-OE2 2.76Å; K78-E81 PolarHBondContact NZ-OE2 2.62Å; K78-L82 WeakPolarHBondContact O-CG 3.47Å; K78-L82 PolarHBondContact O-N 3.01Å |
| 79 | L | 75.2 | Confident | 76.4 | Confident | 74 Ų | 74 | 109.1 Ų | 109.1 | 39% | 0.387 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.9 | -35.2 | 175.1 | -175.4 | 62.5 | 0 | 0 | 0 | 112.2 | G75 N76 L77 R83 | G75-L79 WeakPolarHBondContact O-CB 3.4Å; G75-L79 PolarHBondContact O-N 3.27Å; N76-L79 PolarHBondContact O-N 2.99Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-L79 PolarHBondContact O-N 2.99Å; L79-R83 WeakPolarHBondContact O-CB 3.48Å; L79-R83 WeakPolarHBondContact O-CG 3.36Å; L79-R83 PolarHBondContact O-N 2.95Å |
| 80 | A | 76.7 | Confident | 76.3 | Confident | 44 Ų | 44 | 107.9 Ų | 107.9 | 36% | 0.364 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.4 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | N76 L77 R83 L84 | N76-A80 WeakPolarHBondContact O-CB 3.16Å; N76-A80 PolarHBondContact O-N 3.37Å; L77-A80 PolarHBondContact O-N 3.37Å; A80-R83 PolarHBondContact O-N 3.15Å; A80-L84 WeakPolarHBondContact O-CG 3.3Å; A80-L84 PolarHBondContact O-N 2.98Å |
| 81 | E | 76.2 | Confident | 76 | Confident | 91 Ų | 91 | 108.6 Ų | 108.6 | 43% | 0.425 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -56.9 | -51.4 | 171.8 | -73 | 175.9 | 179.1 | 0 | 0 | 110.9 | L77 K78 R83 L84 D85 | L77-E81 WeakPolarHBondContact O-CG 3.34Å; L77-E81 PolarHBondContact O-N 3.28Å; K78-E81 IonicContact NZ-OE2 2.76Å; K78-E81 PolarHBondContact NZ-OE2 2.62Å; E81-R83 VanDerWaalsContact C-N 3.26Å; E81-R83 PolarHBondContact O-N 3.11Å; E81-L84 PolarHBondContact O-N 3.14Å; E81-L84 VanDerWaalsContact O-N 3.1Å; E81-D85 PolarHBondContact O-N 2.79Å |
| 82 | L | 75.3 | Confident | 76.1 | Confident | 85 Ų | 85 | 103.9 Ų | 103.9 | 45% | 0.445 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.6 | -31.5 | 177.2 | -74.3 | 167.5 | 0 | 0 | 0 | 113.3 | K78 N86 | K78-L82 WeakPolarHBondContact O-CG 3.47Å; K78-L82 PolarHBondContact O-N 3.01Å; L82-N86 PolarHBondContact O-N 3.14Å; L82-N86 PolarHBondContact O-ND2 3.16Å |
| 83 | R | 78.6 | Confident | 76.1 | Confident | 162 Ų | 162 | 105.9 Ų | 105.9 | 61% | 0.611 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -72.9 | -34.9 | 175.3 | -84.1 | -178.9 | 177.7 | 131.9 | -0.9 | 112.5 | L79 A80 E81 N86 | L79-R83 WeakPolarHBondContact O-CB 3.48Å; L79-R83 WeakPolarHBondContact O-CG 3.36Å; L79-R83 PolarHBondContact O-N 2.95Å; A80-R83 PolarHBondContact O-N 3.15Å; E81-R83 VanDerWaalsContact C-N 3.26Å; E81-R83 PolarHBondContact O-N 3.11Å; R83-N86 PolarHBondContact O-N 3.08Å |
| 84 | L | 76.4 | Confident | 75.8 | Confident | 122 Ų | 122 | 103.6 Ų | 103.6 | 64% | 0.639 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71 | -35.5 | 176.2 | -70.2 | 172.3 | 0 | 0 | 0 | 111.6 | A80 E81 N86 L87 | A80-L84 WeakPolarHBondContact O-CG 3.3Å; A80-L84 PolarHBondContact O-N 2.98Å; E81-L84 PolarHBondContact O-N 3.14Å; E81-L84 VanDerWaalsContact O-N 3.1Å; L84-N86 PolarHBondContact O-N 2.97Å; L84-L87 PolarHBondContact O-N 2.87Å |
| 85 | D | 75.5 | Confident | 75.7 | Confident | 126 Ų | 126 | 107.2 Ų | 107.2 | 67% | 0.674 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -15.1 | 177.3 | -64.5 | -29 | 0 | 0 | 0 | 113.5 | E81 | E81-D85 PolarHBondContact O-N 2.79Š|
| 86 | N | 74.7 | Confident | 75.3 | Confident | 136 Ų | 136 | 112.8 Ų | 112.8 | 73% | 0.727 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 9 | 179.9 | -78.1 | -57 | 0 | 0 | 0 | 113.9 | L82 R83 L84 | L82-N86 PolarHBondContact O-N 3.14Å; L82-N86 PolarHBondContact O-ND2 3.16Å; R83-N86 PolarHBondContact O-N 3.08Å; L84-N86 PolarHBondContact O-N 2.97Å |
| 87 | L | 69 | Low | 75.3 | Confident | 201 Ų | 201 | 114 Ų | 114 | 100% | 1.052 | 58% | 0.576 | S | S | * | * | | | trans | -105.6 | 0 | 173.4 | -73.8 | 168.9 | 0 | 0 | 0 | 110.4 | L84 | L84-L87 PolarHBondContact O-N 2.87Š|