| 1 | M | 49.7 | Very low | 57.1 | Low | 251 Ų | 251 | 159.2 Ų | 159.2 | 100% | 1.236 | 84% | 0.841 | S | S | * | * | | | | 0 | 89.1 | 0 | -66.1 | 153.9 | 169 | 0 | 0 | 106.9 | | |
| 2 | S | 48.7 | Very low | 57.2 | Low | 101 Ų | 101 | 159.1 Ų | 159.1 | 71% | 0.706 | 83% | 0.832 | S | S | * | * | | | trans | -154.7 | 72.6 | -170.6 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 3 | H | 54.2 | Low | 57.1 | Low | 195 Ų | 195 | 159.7 Ų | 159.7 | 90% | 0.903 | 84% | 0.836 | S | S | * | * | | | trans | -149.2 | 145.8 | 164 | -66.4 | 100.4 | 0 | 0 | 0 | 108.4 | | |
| 4 | Q | 59.1 | Low | 57.4 | Low | 197 Ų | 197 | 156.6 Ų | 156.6 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | | | trans | 93.4 | 54.8 | 170.1 | -149.4 | 163.1 | -7 | 0 | 0 | 116.6 | | |
| 5 | A | 57.1 | Low | 57.3 | Low | 107 Ų | 107 | 154.4 Ų | 154.4 | 88% | 0.884 | 83% | 0.83 | S | S | * | * | | | trans | -101.1 | 100.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 6 | G | 56.2 | Low | 57.2 | Low | 50 Ų | 50 | 153.8 Ų | 153.8 | 52% | 0.515 | 83% | 0.826 | S | S | . | * | | | trans | 81.4 | 69.8 | 142.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | Y8 | G6-Y8 VanDerWaalsContact C-N 3.29Å; G6-Y8 PolarHBondContact O-N 3.45Å |
| 7 | N | 59.1 | Low | 56.9 | Low | 142 Ų | 142 | 150.5 Ų | 150.5 | 76% | 0.759 | 83% | 0.826 | S | S | * | * | | | trans | -94.4 | 59.2 | 156.1 | -158.8 | -6.9 | 0 | 0 | 0 | 109.9 | | |
| 8 | Y | 59.7 | Low | 57 | Low | 216 Ų | 216 | 146.7 Ų | 146.7 | 85% | 0.847 | 82% | 0.817 | S | S | * | * | | | trans | -99.4 | 6.2 | -177 | -69.9 | -69.2 | 0 | 0 | 0 | 113.8 | G6 | G6-Y8 VanDerWaalsContact C-N 3.29Å; G6-Y8 PolarHBondContact O-N 3.45Å |
| 9 | L | 62 | Low | 57.1 | Low | 165 Ų | 165 | 145.9 Ų | 145.9 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -95.4 | -7.3 | -170.7 | -147 | 76.4 | 0 | 0 | 0 | 115 | | |
| 10 | L | 59.5 | Low | 57.2 | Low | 152 Ų | 152 | 142.1 Ų | 142.1 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -112.4 | 11.8 | -169.6 | -74.4 | 171.8 | 0 | 0 | 0 | 115.8 | | |
| 11 | Q | 62.8 | Low | 57.3 | Low | 175 Ų | 175 | 141.4 Ų | 141.4 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -109.1 | 6.4 | -175.4 | -154.5 | 123.3 | 100.9 | 0 | 0 | 116 | | |
| 12 | E | 58.3 | Low | 57.9 | Low | 158 Ų | 158 | 133.3 Ų | 133.3 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | | | trans | -119.7 | 132.1 | 177.5 | -55.5 | -62.2 | 148.8 | 0 | 0 | 108.6 | | |
| 13 | L | 56.6 | Low | 58.7 | Low | 167 Ų | 167 | 134.4 Ų | 134.4 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 87.8 | 99.2 | -178.6 | -54.5 | 125.7 | 0 | 0 | 0 | 113.9 | | |
| 14 | C | 60.8 | Low | 59.1 | Low | 117 Ų | 117 | 130.7 Ų | 130.7 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | cis | -150.2 | 123 | 28.2 | -67.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 15 | P | 55.7 | Low | 59.6 | Low | 123 Ų | 123 | 130.4 Ų | 130.4 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | trans | -75.4 | 157.5 | 163.7 | 32.4 | -31.1 | 0 | 0 | 0 | 110.4 | | |
| 16 | D | 55.6 | Low | 60.4 | Low | 144 Ų | 144 | 131 Ų | 131 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | | | trans | 83 | 53.8 | 165.1 | -151.8 | 14.9 | 0 | 0 | 0 | 117.6 | A18 | D16-A18 PolarHBondContact O-N 3.25Š|
| 17 | A | 52 | Low | 61.1 | Low | 99 Ų | 99 | 137 Ų | 137 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -72 | 104.9 | 148.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 18 | A | 59 | Low | 61.7 | Low | 81 Ų | 81 | 135.5 Ų | 135.5 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | | | trans | -48.1 | 121.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | D16 G20 | D16-A18 PolarHBondContact O-N 3.25Å; A18-G20 PolarHBondContact O-N 3.09Å |
| 19 | P | 59.1 | Low | 62.2 | Low | 133 Ų | 133 | 131.3 Ų | 131.3 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -77.1 | 92.8 | -180 | 30.5 | -32.2 | 0 | 0 | 0 | 108.1 | | |
| 20 | G | 59.9 | Low | 62.5 | Low | 68 Ų | 68 | 132.7 Ų | 132.7 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | trans | 176.6 | 9.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | A18 A22 | A18-G20 PolarHBondContact O-N 3.09Å; G20-A22 VanDerWaalsContact C-N 3.32Å; G20-A22 PolarHBondContact O-N 2.99Å; G20-A22 VanDerWaalsContact O-N 3.09Å |
| 21 | S | 58.8 | Low | 62.9 | Low | 129 Ų | 129 | 135.4 Ų | 135.4 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | | | trans | -83 | 90 | 164.5 | -126.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 22 | A | 61.3 | Low | 63.1 | Low | 80 Ų | 80 | 132.1 Ų | 132.1 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | | | trans | -53.2 | 137 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | G20 S24 | G20-A22 VanDerWaalsContact C-N 3.32Å; G20-A22 PolarHBondContact O-N 2.99Å; G20-A22 VanDerWaalsContact O-N 3.09Å; A22-S24 PolarHBondContact O-N 3.19Å |
| 23 | P | 67.1 | Low | 63.3 | Low | 124 Ų | 124 | 136.3 Ų | 136.3 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | | | trans | -62 | 116.6 | -179.1 | 24.2 | -32.1 | 0 | 0 | 0 | 109.4 | K25 | P23-K25 PolarHBondContact O-N 3.45Š|
| 24 | S | 62 | Low | 63.1 | Low | 118 Ų | 118 | 131.3 Ų | 131.3 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | | | trans | -53.3 | 111.6 | 167.3 | -85.2 | 0 | 0 | 0 | 0 | 107.9 | A22 P26 | A22-S24 PolarHBondContact O-N 3.19Å; S24-P26 WeakPolarHBondContact O-CD 3.45Å; S24-P26 VanDerWaalsContact O-N 3.09Å |
| 25 | K | 69.4 | Low | 62.6 | Low | 191 Ų | 191 | 128.9 Ų | 128.9 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | | | trans | -56.2 | 115.9 | -180 | -158.8 | 171.9 | -170.4 | 168.8 | 0 | 107.4 | P23 E27 | P23-K25 PolarHBondContact O-N 3.45Å; K25-E27 PolarHBondContact O-N 3.5Å; K25-E27 VanDerWaalsContact O-N 3.14Å |
| 26 | P | 73.2 | Confident | 62.8 | Low | 119 Ų | 119 | 130 Ų | 130 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | -60.7 | 123.6 | -177.3 | 22.1 | -31.1 | 0 | 0 | 0 | 108.4 | S24 | S24-P26 WeakPolarHBondContact O-CD 3.45Å; S24-P26 VanDerWaalsContact O-N 3.09Å |
| 27 | E | 71.9 | Confident | 63 | Low | 177 Ų | 177 | 132.4 Ų | 132.4 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | | | trans | -62.4 | 136.4 | 173 | -70.1 | -156.5 | 157.3 | 0 | 0 | 109.1 | K25 I29 | K25-E27 PolarHBondContact O-N 3.5Å; K25-E27 VanDerWaalsContact O-N 3.14Å; E27-I29 PolarHBondContact O-N 3.17Å |
| 28 | P | 71.1 | Confident | 63.5 | Low | 110 Ų | 110 | 135.3 Ų | 135.3 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | | | trans | -65.8 | 114.2 | 179.5 | 25.7 | -31.9 | 0 | 0 | 0 | 108.9 | K30 | P28-K30 VanDerWaalsContact C-N 3.33Å; P28-K30 PolarHBondContact O-N 3.06Å |
| 29 | I | 71.1 | Confident | 63.5 | Low | 128 Ų | 128 | 135.9 Ų | 135.9 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | | | trans | -59.5 | 100.5 | 169 | -59.8 | 166.8 | 0 | 0 | 0 | 106.4 | E27 R31 | E27-I29 PolarHBondContact O-N 3.17Å; I29-R31 HydrophobicContact CG2-CG 3.93Å; I29-R31 PolarHBondContact O-N 3Å |
| 30 | K | 67.8 | Low | 63.6 | Low | 194 Ų | 194 | 135.7 Ų | 135.7 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | | | trans | -69.5 | 81.4 | 171.6 | -61.9 | -173.9 | -172.4 | 179.5 | 0 | 106.9 | P28 S32 | P28-K30 VanDerWaalsContact C-N 3.33Å; P28-K30 PolarHBondContact O-N 3.06Å; K30-S32 PolarHBondContact O-N 3.2Å |
| 31 | R | 68.6 | Low | 63.6 | Low | 208 Ų | 208 | 139.4 Ų | 139.4 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | -60.9 | 108.5 | 166 | -69.1 | -170.3 | 172 | 92.4 | -1.7 | 105.6 | I29 R33 | I29-R31 HydrophobicContact CG2-CG 3.93Å; I29-R31 PolarHBondContact O-N 3Å; R31-R33 PolarHBondContact O-N 3.36Å |
| 32 | S | 65.3 | Low | 63.6 | Low | 107 Ų | 107 | 137.7 Ų | 137.7 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | -58.1 | 125 | 176.2 | 67.3 | 0 | 0 | 0 | 0 | 106.1 | K30 G34 | K30-S32 PolarHBondContact O-N 3.2Å; S32-G34 PolarHBondContact O-N 2.88Å |
| 33 | R | 62.9 | Low | 63.8 | Low | 246 Ų | 246 | 137 Ų | 137 | 93% | 0.928 | 75% | 0.748 | S | S | * | * | | | trans | -75.2 | 61 | 176.1 | -169.7 | -177.4 | -179.2 | -174.6 | 1 | 108.1 | R31 | R31-R33 PolarHBondContact O-N 3.36Š|
| 34 | G | 52.8 | Low | 63.4 | Low | 61 Ų | 61 | 135.7 Ų | 135.7 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | | | trans | -92 | 109.1 | 154.7 | 0 | 0 | 0 | 0 | 0 | 104.4 | S32 | S32-G34 PolarHBondContact O-N 2.88Š|
| 35 | G | 50 | Low | 63.7 | Low | 66 Ų | 66 | 138.1 Ų | 138.1 | 68% | 0.68 | 74% | 0.738 | S | S | * | * | | | cis | 120.8 | -9.8 | 49.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 36 | D | 60.9 | Low | 63.6 | Low | 148 Ų | 148 | 137.2 Ų | 137.2 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | | | trans | -113.9 | 93.4 | 176.5 | -52.2 | -48.1 | 0 | 0 | 0 | 108.6 | E38 | D36-E38 PolarHBondContact O-N 3.1Š|
| 37 | K | 57.9 | Low | 63.4 | Low | 194 Ų | 194 | 136.4 Ų | 136.4 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | | | trans | -72.1 | 48.3 | 157.5 | -71.3 | -168.3 | 175.8 | 70.7 | 0 | 109.5 | S39 | K37-S39 PolarHBondContact O-N 2.82Š|
| 38 | E | 63.1 | Low | 63.8 | Low | 160 Ų | 160 | 131.2 Ų | 131.2 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | | | trans | -82 | 60.9 | 155.3 | -160.9 | 168.6 | -165.1 | 0 | 0 | 105.8 | D36 I40 | D36-E38 PolarHBondContact O-N 3.1Å; E38-I40 HydrophobicContact CG-CG2 4.33Å; E38-I40 PolarHBondContact O-N 3.18Å |
| 39 | S | 58.7 | Low | 64 | Low | 92 Ų | 92 | 133.8 Ų | 133.8 | 64% | 0.643 | 71% | 0.708 | S | S | * | * | | | trans | -60.7 | 92.9 | 149.7 | 48.1 | 0 | 0 | 0 | 0 | 103.1 | K37 D41 | K37-S39 PolarHBondContact O-N 2.82Å; S39-D41 PolarHBondContact O-N 2.78Å |
| 40 | I | 62.3 | Low | 64.2 | Low | 130 Ų | 130 | 133.2 Ų | 133.2 | 67% | 0.667 | 71% | 0.706 | S | S | * | * | | | trans | -46.5 | 82.4 | 151.6 | 43.5 | 158.4 | 0 | 0 | 0 | 106.5 | E38 S42 | E38-I40 HydrophobicContact CG-CG2 4.33Å; E38-I40 PolarHBondContact O-N 3.18Å; I40-S42 CarbonylContact O-C 3.58Å; I40-S42 PolarHBondContact O-N 2.83Å |
| 41 | D | 58.9 | Low | 64.8 | Low | 145 Ų | 145 | 126.9 Ų | 126.9 | 78% | 0.775 | 68% | 0.682 | S | S | * | * | | | trans | -77.8 | 15.7 | 166.2 | -161.7 | 33 | 0 | 0 | 0 | 109.5 | S39 A43 | S39-D41 PolarHBondContact O-N 2.78Å; D41-A43 PolarHBondContact O-N 2.8Å |
| 42 | S | 58.8 | Low | 65.1 | Low | 94 Ų | 94 | 120.1 Ų | 120.1 | 66% | 0.657 | 66% | 0.661 | S | S | * | * | | | trans | -60.7 | 75.5 | 139 | -55.4 | 0 | 0 | 0 | 0 | 107.1 | I40 | I40-S42 CarbonylContact O-C 3.58Å; I40-S42 PolarHBondContact O-N 2.83Å |
| 43 | A | 65.3 | Low | 65.7 | Low | 66 Ų | 66 | 118.7 Ų | 118.7 | 55% | 0.545 | 65% | 0.645 | S | S | . | * | | | trans | -37.1 | 128.7 | 141.2 | 0 | 0 | 0 | 0 | 0 | 105.6 | D41 E45 | D41-A43 PolarHBondContact O-N 2.8Å; A43-E45 PolarHBondContact O-N 2.95Å |
| 44 | P | 60.1 | Low | 66.3 | Low | 96 Ų | 96 | 114.6 Ų | 114.6 | 62% | 0.623 | 64% | 0.636 | S | S | * | * | | | trans | -45.6 | 112.7 | -174.7 | 19.8 | -31.9 | 0 | 0 | 0 | 106.1 | E46 L47 | P44-E46 VanDerWaalsContact C-N 3.35Å; P44-E46 VanDerWaalsContact O-CA 3.25Å; P44-E46 WeakPolarHBondContact O-CA 3.48Å; P44-E46 PolarHBondContact O-N 2.79Å; P44-L47 HydrophobicContact CB-CD1 4.13Å; P44-L47 HydrophobicContact CB-CG 4.27Å |
| 45 | E | 67.9 | Low | 67.5 | Low | 169 Ų | 169 | 118.6 Ų | 118.6 | 79% | 0.79 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.4 | 108.3 | -173 | -176.4 | 165.3 | -158.2 | 0 | 0 | 104.9 | A43 L47 | A43-E45 PolarHBondContact O-N 2.95Å; E45-L47 VanDerWaalsContact O-CA 3.26Å; E45-L47 WeakPolarHBondContact O-CA 3.43Å; E45-L47 WeakPolarHBondContact O-CG 3.4Å; E45-L47 PolarHBondContact O-N 2.97Å |
| 46 | E | 66.9 | Low | 68.7 | Low | 172 Ų | 172 | 117.4 Ų | 117.4 | 80% | 0.804 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -27.1 | 83.7 | -156 | 47.7 | -154.8 | 120.9 | 0 | 0 | 112.6 | P44 T48 | P44-E46 VanDerWaalsContact C-N 3.35Å; P44-E46 VanDerWaalsContact O-CA 3.25Å; P44-E46 WeakPolarHBondContact O-CA 3.48Å; P44-E46 PolarHBondContact O-N 2.79Å; E46-T48 WeakPolarHBondContact O-CG2 3.04Å; E46-T48 PolarHBondContact O-N 2.74Å |
| 47 | L | 69 | Low | 69.3 | Low | 101 Ų | 101 | 114.8 Ų | 114.8 | 53% | 0.529 | 61% | 0.606 | S | S | . | * | | | trans | -66.7 | 105 | -167.6 | -72.3 | 174.8 | 0 | 0 | 0 | 105.9 | P44 E45 D51 L52 | P44-L47 HydrophobicContact CB-CD1 4.13Å; P44-L47 HydrophobicContact CB-CG 4.27Å; E45-L47 VanDerWaalsContact O-CA 3.26Å; E45-L47 WeakPolarHBondContact O-CA 3.43Å; E45-L47 WeakPolarHBondContact O-CG 3.4Å; E45-L47 PolarHBondContact O-N 2.97Å; L47-D51 HydrophobicContact CD2-CB 4.18Å; L47-L52 HydrophobicContact CB-CD2 4.16Å; L47-L52 HydrophobicContact CD1-CD2 4.11Å |
| 48 | T | 79.9 | Confident | 69.8 | Low | 68 Ų | 68 | 110.1 Ų | 110.1 | 42% | 0.417 | 60% | 0.595 | S | S | . | * | | | trans | -72.3 | 158.6 | 179.2 | 62.4 | 0 | 0 | 0 | 0 | 108 | E46 D50 D51 L52 | E46-T48 WeakPolarHBondContact O-CG2 3.04Å; E46-T48 PolarHBondContact O-N 2.74Å; T48-D50 PolarHBondContact O-N 3.22Å; T48-D50 VanDerWaalsContact O-N 3.15Å; T48-D51 PolarHBondContact N-OD2 2.72Å; T48-D51 PolarHBondContact O-N 3.41Å; T48-D51 VanDerWaalsContact OG1-CG 3.28Å; T48-D51 PolarHBondContact OG1-N 2.82Å; T48-D51 PolarHBondContact OG1-OD2 3.14Å; T48-L52 PolarHBondContact O-N 3.06Å |
| 49 | E | 76.3 | Confident | 70.1 | Confident | 165 Ų | 165 | 111 Ų | 111 | 77% | 0.771 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -51.9 | -37.9 | 173.3 | -68 | 132 | -170.7 | 0 | 0 | 110.2 | L52 L53 | E49-L52 CarbonylContact O-C 3.44Å; E49-L52 WeakPolarHBondContact O-CB 3.32Å; E49-L52 PolarHBondContact O-N 2.82Å; E49-L53 WeakPolarHBondContact O-CG 3.35Å; E49-L53 PolarHBondContact O-N 3.07Å |
| 50 | D | 75.9 | Confident | 70.4 | Confident | 115 Ų | 115 | 113.4 Ų | 113.4 | 62% | 0.615 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -59.2 | -45.2 | 176.2 | -158.4 | 63.2 | 0 | 0 | 0 | 112.9 | T48 L52 L53 E54 | T48-D50 PolarHBondContact O-N 3.22Å; T48-D50 VanDerWaalsContact O-N 3.15Å; D50-L52 VanDerWaalsContact C-N 3.27Å; D50-L52 PolarHBondContact O-N 3.47Å; D50-L53 CarbonylContact O-C 3.59Å; D50-L53 WeakPolarHBondContact O-CA 3.43Å; D50-L53 PolarHBondContact O-N 2.71Å; D50-L53 VanDerWaalsContact O-N 3.09Å; D50-E54 PolarHBondContact O-N 3.48Å |
| 51 | D | 80 | Confident | 70.4 | Confident | 61 Ų | 61 | 110 Ų | 110 | 33% | 0.326 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.6 | -36.7 | 176.5 | -58.7 | -53.3 | 0 | 0 | 0 | 111.6 | L47 T48 E54 M55 | L47-D51 HydrophobicContact CD2-CB 4.18Å; T48-D51 PolarHBondContact N-OD2 2.72Å; T48-D51 PolarHBondContact O-N 3.41Å; T48-D51 VanDerWaalsContact OG1-CG 3.28Å; T48-D51 PolarHBondContact OG1-N 2.82Å; T48-D51 PolarHBondContact OG1-OD2 3.14Å; D51-E54 PolarHBondContact O-N 2.81Å; D51-M55 PolarHBondContact O-N 2.81Å; D51-M55 VanDerWaalsContact O-N 3.14Å |
| 52 | L | 74.9 | Confident | 70.5 | Confident | 66 Ų | 66 | 108.5 Ų | 108.5 | 35% | 0.346 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -72 | -32.7 | 175.7 | -58.8 | -176.2 | 0 | 0 | 0 | 112.1 | L47 T48 E49 D50 M55 T56 | L47-L52 HydrophobicContact CB-CD2 4.16Å; L47-L52 HydrophobicContact CD1-CD2 4.11Å; T48-L52 PolarHBondContact O-N 3.06Å; E49-L52 CarbonylContact O-C 3.44Å; E49-L52 WeakPolarHBondContact O-CB 3.32Å; E49-L52 PolarHBondContact O-N 2.82Å; D50-L52 VanDerWaalsContact C-N 3.27Å; D50-L52 PolarHBondContact O-N 3.47Å; L52-M55 HydrophobicContact CB-CE 4.18Å; L52-M55 HydrophobicContact CD2-CE 3.54Å; L52-M55 HydrophobicContact CD2-SD 3.97Å; L52-M55 HydrophobicContact CG-CE 4.43Å; L52-M55 WeakPolarHBondContact O-CG 3.5Å; L52-T56 WeakPolarHBondContact O-CB 3.17Å; L52-T56 PolarHBondContact O-N 2.84Å; L52-T56 PolarHBondContact O-OG1 2.84Å |
| 53 | L | 76.7 | Confident | 70.5 | Confident | 78 Ų | 78 | 106.5 Ų | 106.5 | 41% | 0.408 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -75.6 | -23.5 | 172.8 | -58.9 | -157.3 | 0 | 0 | 0 | 112.1 | E49 D50 L61 | E49-L53 WeakPolarHBondContact O-CG 3.35Å; E49-L53 PolarHBondContact O-N 3.07Å; D50-L53 CarbonylContact O-C 3.59Å; D50-L53 WeakPolarHBondContact O-CA 3.43Å; D50-L53 PolarHBondContact O-N 2.71Å; D50-L53 VanDerWaalsContact O-N 3.09Å; L53-L61 HydrophobicContact CB-CD1 4.2Å; L53-L61 HydrophobicContact CD1-CD1 3.74Å; L53-L61 HydrophobicContact CD2-CD1 3.34Å; L53-L61 HydrophobicContact CD2-CD2 3.59Å; L53-L61 HydrophobicContact CD2-CG 4.06Å; L53-L61 HydrophobicContact CG-CD1 3.89Å |
| 54 | E | 76.8 | Confident | 70.2 | Confident | 160 Ų | 160 | 110.5 Ų | 110.5 | 75% | 0.748 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -77.1 | -40.7 | 175.3 | -170.9 | -178.7 | -169.2 | 0 | 0 | 110.9 | D50 D51 T56 | D50-E54 PolarHBondContact O-N 3.48Å; D51-E54 PolarHBondContact O-N 2.81Å; E54-T56 VanDerWaalsContact C-N 3.26Å; E54-T56 PolarHBondContact O-N 3.06Å |
| 55 | M | 78.2 | Confident | 70.1 | Confident | 144 Ų | 144 | 114 Ų | 114 | 71% | 0.709 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73 | -20.6 | 174.8 | 70.8 | 173.9 | -159.5 | 0 | 0 | 113.2 | D51 L52 | D51-M55 PolarHBondContact O-N 2.81Å; D51-M55 VanDerWaalsContact O-N 3.14Å; L52-M55 HydrophobicContact CB-CE 4.18Å; L52-M55 HydrophobicContact CD2-CE 3.54Å; L52-M55 HydrophobicContact CD2-SD 3.97Å; L52-M55 HydrophobicContact CG-CE 4.43Å; L52-M55 WeakPolarHBondContact O-CG 3.5Å |
| 56 | T | 74.8 | Confident | 69.3 | Low | 41 Ų | 41 | 109.5 Ų | 109.5 | 25% | 0.252 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -97.4 | 141.2 | 178.1 | -64.2 | 0 | 0 | 0 | 0 | 109.2 | L52 E54 P58 M60 L61 | L52-T56 WeakPolarHBondContact O-CB 3.17Å; L52-T56 PolarHBondContact O-N 2.84Å; L52-T56 PolarHBondContact O-OG1 2.84Å; E54-T56 VanDerWaalsContact C-N 3.26Å; E54-T56 PolarHBondContact O-N 3.06Å; T56-P58 WeakPolarHBondContact O-CD 3.2Å; T56-M60 HydrophobicContact CG2-CB 4.27Å; T56-L61 HydrophobicContact CG2-CD2 4.33Å; T56-L61 HydrophobicContact CG2-CG 4.22Å |
| 57 | D | 74 | Confident | 68.8 | Low | 94 Ų | 94 | 109 Ų | 109 | 50% | 0.503 | 59% | 0.593 | S | S | . | * | | | trans | -66.3 | 125.3 | 172.2 | -158.8 | -31.7 | 0 | 0 | 0 | 109.1 | E59 M60 | D57-E59 PolarHBondContact O-N 3.19Å; D57-E59 PolarHBondContact OD1-N 3.47Å; D57-M60 HydrophobicContact CB-CB 4.42Å; D57-M60 HydrophobicContact CB-CE 4.24Å; D57-M60 WeakPolarHBondContact O-CA 3.47Å; D57-M60 WeakPolarHBondContact O-CB 3.48Å; D57-M60 PolarHBondContact O-N 3.14Å |
| 58 | P | 68.3 | Low | 68.2 | Low | 96 Ų | 96 | 110 Ų | 110 | 62% | 0.623 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -56.7 | -24.6 | -179.9 | 20.6 | -33.9 | 0 | 0 | 0 | 113.3 | T56 M60 L61 | T56-P58 WeakPolarHBondContact O-CD 3.2Å; P58-M60 PolarHBondContact O-N 2.83Å; P58-L61 PolarHBondContact O-N 3.09Å |
| 59 | E | 68.3 | Low | 67.2 | Low | 177 Ų | 177 | 110.6 Ų | 110.6 | 83% | 0.827 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -67 | -23.2 | 173.1 | -69.6 | -86.4 | 158.1 | 0 | 0 | 113.1 | D57 | D57-E59 PolarHBondContact O-N 3.19Å; D57-E59 PolarHBondContact OD1-N 3.47Å |
| 60 | M | 64.7 | Low | 66.5 | Low | 143 Ų | 143 | 111.9 Ų | 111.9 | 70% | 0.704 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -88.3 | -16.6 | -178 | -139.1 | -169.8 | -48.7 | 0 | 0 | 112.9 | T56 D57 P58 P62 | T56-M60 HydrophobicContact CG2-CB 4.27Å; D57-M60 HydrophobicContact CB-CB 4.42Å; D57-M60 HydrophobicContact CB-CE 4.24Å; D57-M60 WeakPolarHBondContact O-CA 3.47Å; D57-M60 WeakPolarHBondContact O-CB 3.48Å; D57-M60 PolarHBondContact O-N 3.14Å; P58-M60 PolarHBondContact O-N 2.83Å; M60-P62 WeakPolarHBondContact O-CD 3.48Å |
| 61 | L | 62.8 | Low | 65.8 | Low | 60 Ų | 60 | 114.4 Ų | 114.4 | 31% | 0.314 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -71.5 | 122.2 | 170.5 | -67.2 | 164.5 | 0 | 0 | 0 | 107.5 | L53 T56 P58 G63 | L53-L61 HydrophobicContact CB-CD1 4.2Å; L53-L61 HydrophobicContact CD1-CD1 3.74Å; L53-L61 HydrophobicContact CD2-CD1 3.34Å; L53-L61 HydrophobicContact CD2-CD2 3.59Å; L53-L61 HydrophobicContact CD2-CG 4.06Å; L53-L61 HydrophobicContact CG-CD1 3.89Å; T56-L61 HydrophobicContact CG2-CD2 4.33Å; T56-L61 HydrophobicContact CG2-CG 4.22Å; P58-L61 PolarHBondContact O-N 3.09Å; L61-G63 VanDerWaalsContact C-N 3.3Å; L61-G63 PolarHBondContact O-N 2.76Å |
| 62 | P | 61.9 | Low | 65.1 | Low | 113 Ų | 113 | 115.6 Ų | 115.6 | 73% | 0.734 | 64% | 0.64 | S | S | * | * | | | trans | -60.4 | 107.1 | 163.7 | 26.7 | -29.6 | 0 | 0 | 0 | 104.8 | M60 N64 | M60-P62 WeakPolarHBondContact O-CD 3.48Å; P62-N64 PolarHBondContact O-N 2.81Å |
| 63 | G | 57.4 | Low | 64.6 | Low | 51 Ų | 51 | 117.3 Ų | 117.3 | 53% | 0.526 | 65% | 0.652 | S | S | . | * | | | trans | -44.4 | 125.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | L61 E65 | L61-G63 VanDerWaalsContact C-N 3.3Å; L61-G63 PolarHBondContact O-N 2.76Å; G63-E65 PolarHBondContact O-N 2.96Å |
| 64 | N | 59.2 | Low | 64.1 | Low | 151 Ų | 151 | 118.9 Ų | 118.9 | 81% | 0.807 | 67% | 0.668 | S | S | * | * | | | trans | -67 | 34.9 | 176.6 | 177.8 | 75.2 | 0 | 0 | 0 | 111 | P62 G66 | P62-N64 PolarHBondContact O-N 2.81Å; N64-G66 PolarHBondContact O-N 3.37Å |
| 65 | E | 58.7 | Low | 63.7 | Low | 170 Ų | 170 | 117.5 Ų | 117.5 | 79% | 0.794 | 66% | 0.661 | S | S | * | * | | | trans | -70.7 | 74.4 | 168.4 | 52 | 175.9 | -174 | 0 | 0 | 109.5 | G63 E67 | G63-E65 PolarHBondContact O-N 2.96Å; E65-E67 PolarHBondContact O-N 3.17Å |
| 66 | G | 50.8 | Low | 63.4 | Low | 73 Ų | 73 | 116.9 Ų | 116.9 | 75% | 0.753 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 65.1 | -4.8 | 141.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | N64 | N64-G66 PolarHBondContact O-N 3.37Š|
| 67 | E | 56 | Low | 63.1 | Low | 161 Ų | 161 | 121.5 Ų | 121.5 | 75% | 0.752 | 68% | 0.677 | S | S | * | * | | | trans | -137.1 | 39.7 | -170.4 | -66.9 | -88.4 | 158.9 | 0 | 0 | 110.1 | E65 V69 | E65-E67 PolarHBondContact O-N 3.17Å; E67-V69 WeakPolarHBondContact O-CG2 3.42Å; E67-V69 PolarHBondContact O-N 3.34Å |
| 68 | V | 56.9 | Low | 62.8 | Low | 122 Ų | 122 | 122.8 Ų | 122.8 | 74% | 0.739 | 68% | 0.684 | S | S | * | * | | | trans | -75.5 | 66.4 | 157.4 | -171.2 | 0 | 0 | 0 | 0 | 107.1 | E70 | V68-E70 PolarHBondContact O-N 3.18Š|
| 69 | V | 59.3 | Low | 63.2 | Low | 82 Ų | 82 | 121.4 Ų | 121.4 | 50% | 0.497 | 67% | 0.673 | S | S | . | * | | | trans | 7.8 | 102.1 | 147.9 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | E67 E71 | E67-V69 WeakPolarHBondContact O-CG2 3.42Å; E67-V69 PolarHBondContact O-N 3.34Å; V69-E71 HydrophobicContact CG1-CB 3.12Å; V69-E71 HydrophobicContact CG1-CG 4.42Å; V69-E71 PolarHBondContact O-N 3.05Å |
| 70 | E | 60.8 | Low | 63.4 | Low | 192 Ų | 192 | 119.6 Ų | 119.6 | 90% | 0.897 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -57.1 | 28 | 162.7 | -78.4 | -93.2 | 153.3 | 0 | 0 | 112.6 | V68 | V68-E70 PolarHBondContact O-N 3.18Š|
| 71 | E | 62.1 | Low | 63.7 | Low | 167 Ų | 167 | 118.2 Ų | 118.2 | 78% | 0.78 | 66% | 0.664 | S | S | * | * | | | trans | -119.7 | 33.4 | -172.8 | -152.3 | -164.1 | 168.1 | 0 | 0 | 112.4 | V69 | V69-E71 HydrophobicContact CG1-CB 3.12Å; V69-E71 HydrophobicContact CG1-CG 4.42Å; V69-E71 PolarHBondContact O-N 3.05Å |
| 72 | A | 63.8 | Low | 64 | Low | 87 Ų | 87 | 120 Ų | 120 | 72% | 0.719 | 67% | 0.674 | S | S | * | * | | | trans | -117.2 | 46.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P74 | A72-P74 WeakPolarHBondContact O-CD 3.16Š|
| 73 | V | 65.8 | Low | 64.3 | Low | 101 Ų | 101 | 119 Ų | 119 | 61% | 0.612 | 66% | 0.662 | S | S | * | * | | | trans | -101.7 | 83.2 | 167.7 | -167.9 | 0 | 0 | 0 | 0 | 109.5 | E75 | V73-E75 VanDerWaalsContact C-N 3.27Å; V73-E75 HydrophobicContact CG1-CG 3.51Å; V73-E75 PolarHBondContact O-N 3.33Å |
| 74 | P | 65.2 | Low | 65 | Low | 112 Ų | 112 | 120 Ų | 120 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | | | trans | -71.5 | 92.3 | 160.6 | 29.3 | -29.8 | 0 | 0 | 0 | 107.6 | A72 N76 | A72-P74 WeakPolarHBondContact O-CD 3.16Å; P74-N76 PolarHBondContact O-N 3.15Å |
| 75 | E | 69 | Low | 65.5 | Low | 131 Ų | 131 | 122.8 Ų | 122.8 | 61% | 0.612 | 67% | 0.665 | S | S | * | * | | | trans | -69.2 | 43.6 | 168.4 | -66.2 | -156.4 | 114 | 0 | 0 | 112.1 | V73 K77 | V73-E75 VanDerWaalsContact C-N 3.27Å; V73-E75 HydrophobicContact CG1-CG 3.51Å; V73-E75 PolarHBondContact O-N 3.33Å; E75-K77 PolarHBondContact O-N 3.17Å; E75-K77 IonicContact OE1-NZ 2.79Å; E75-K77 PolarHBondContact OE1-NZ 2.82Å |
| 76 | N | 70.9 | Confident | 65.7 | Low | 130 Ų | 130 | 117.7 Ų | 117.7 | 70% | 0.695 | 66% | 0.658 | S | S | * | * | | | trans | -74.1 | 85.7 | 168.7 | -164 | -19.8 | 0 | 0 | 0 | 107.6 | P74 L78 | P74-N76 PolarHBondContact O-N 3.15Å; N76-L78 PolarHBondContact O-N 2.65Å |
| 77 | K | 70.2 | Confident | 65.9 | Low | 138 Ų | 138 | 126.3 Ų | 126.3 | 60% | 0.6 | 68% | 0.675 | S | S | * | * | | | trans | -63.2 | 86.3 | 171.2 | -45.5 | -72.4 | -179.4 | -168.3 | 0 | 106.7 | E75 T79 | E75-K77 PolarHBondContact O-N 3.17Å; E75-K77 IonicContact OE1-NZ 2.79Å; E75-K77 PolarHBondContact OE1-NZ 2.82Å; K77-T79 PolarHBondContact O-N 2.81Å |
| 78 | L | 67.6 | Low | 66.4 | Low | 122 Ų | 122 | 124.6 Ų | 124.6 | 64% | 0.639 | 67% | 0.671 | S | S | * | * | | | trans | -63.5 | 88.7 | 166.4 | -105.9 | 163.9 | 0 | 0 | 0 | 107 | N76 L83 | N76-L78 PolarHBondContact O-N 2.65Å; L78-L83 HydrophobicContact CD2-CD1 4.47Å; L78-L83 HydrophobicContact CD2-CG 4.34Å |
| 79 | T | 75.6 | Confident | 66.9 | Low | 66 Ų | 66 | 124.7 Ų | 124.7 | 41% | 0.405 | 67% | 0.667 | S | S | . | * | | | trans | -70.4 | 137.8 | 173.8 | 55.3 | 0 | 0 | 0 | 0 | 108.4 | K77 D81 N82 | K77-T79 PolarHBondContact O-N 2.81Å; T79-D81 PolarHBondContact O-N 2.79Å; T79-D81 VanDerWaalsContact O-N 3.1Å; T79-N82 WeakPolarHBondContact O-CB 3.43Å; T79-N82 PolarHBondContact O-N 3.04Å; T79-N82 PolarHBondContact OG1-ND2 2.74Å |
| 80 | L | 71.9 | Confident | 67.4 | Low | 140 Ų | 140 | 127.1 Ų | 127.1 | 73% | 0.733 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -56.2 | -27.7 | 178.2 | -67.7 | 174.9 | 0 | 0 | 0 | 112.1 | N82 L83 A84 | L80-N82 VanDerWaalsContact C-N 3.28Å; L80-N82 PolarHBondContact O-N 2.86Å; L80-L83 HydrophobicContact CD2-CD1 4.05Å; L80-L83 WeakPolarHBondContact O-CB 3.26Å; L80-L83 PolarHBondContact O-N 2.98Å; L80-A84 PolarHBondContact O-N 2.83Å |
| 81 | D | 72.2 | Confident | 67.8 | Low | 114 Ų | 114 | 123.2 Ų | 123.2 | 61% | 0.61 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -57.4 | -35.8 | 171.2 | -90.9 | -84.1 | 0 | 0 | 0 | 113.7 | T79 R85 | T79-D81 PolarHBondContact O-N 2.79Å; T79-D81 VanDerWaalsContact O-N 3.1Å; D81-R85 WeakPolarHBondContact O-CB 3.25Å; D81-R85 PolarHBondContact O-N 2.68Å |
| 82 | N | 68.8 | Low | 68.1 | Low | 98 Ų | 98 | 120.5 Ų | 120.5 | 52% | 0.524 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -74.4 | -32.4 | 178.3 | -68.6 | -18.1 | 0 | 0 | 0 | 111.8 | T79 L80 | T79-N82 WeakPolarHBondContact O-CB 3.43Å; T79-N82 PolarHBondContact O-N 3.04Å; T79-N82 PolarHBondContact OG1-ND2 2.74Å; L80-N82 VanDerWaalsContact C-N 3.28Å; L80-N82 PolarHBondContact O-N 2.86Å |
| 83 | L | 67.9 | Low | 68.4 | Low | 92 Ų | 92 | 122.7 Ų | 122.7 | 48% | 0.482 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68.8 | -42.6 | 173.9 | -82.2 | 152.6 | 0 | 0 | 0 | 111.4 | L78 L80 R85 G86 | L78-L83 HydrophobicContact CD2-CD1 4.47Å; L78-L83 HydrophobicContact CD2-CG 4.34Å; L80-L83 HydrophobicContact CD2-CD1 4.05Å; L80-L83 WeakPolarHBondContact O-CB 3.26Å; L80-L83 PolarHBondContact O-N 2.98Å; L83-R85 PolarHBondContact O-N 3.27Å; L83-G86 PolarHBondContact O-N 2.77Å |
| 84 | A | 72 | Confident | 68.6 | Low | 72 Ų | 72 | 124.3 Ų | 124.3 | 60% | 0.595 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72.4 | -26.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L80 G86 | L80-A84 PolarHBondContact O-N 2.83Å; A84-G86 PolarHBondContact O-N 2.82Å |
| 85 | R | 69.3 | Low | 68.8 | Low | 209 Ų | 209 | 125.2 Ų | 125.2 | 79% | 0.789 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -3 | 178.3 | -164.6 | 176.6 | -66.6 | -97.1 | -2.1 | 113.8 | D81 L83 | D81-R85 WeakPolarHBondContact O-CB 3.25Å; D81-R85 PolarHBondContact O-N 2.68Å; L83-R85 PolarHBondContact O-N 3.27Å |
| 86 | G | 64 | Low | 68.8 | Low | 63 Ų | 63 | 124.8 Ų | 124.8 | 65% | 0.649 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -0.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | L83 A84 | L83-G86 PolarHBondContact O-N 2.77Å; A84-G86 PolarHBondContact O-N 2.82Å |
| 87 | F | 55.7 | Low | 68.6 | Low | 253 Ų | 253 | 124.3 Ų | 124.3 | 100% | 1.11 | 65% | 0.649 | S | S | * | * | | | trans | -113.8 | 0 | -179.9 | -72.4 | -77.4 | 0 | 0 | 0 | 112.7 | | |