| 1 | M | 28.6 | Very low | 26.7 | Very low | 229 Ų | 229 | 153 Ų | 153 | 100% | 1.128 | 86% | 0.862 | S | S | * | * | | | | 0 | 119.7 | 0 | -114.5 | 174 | -176.1 | 0 | 0 | 107.6 | | |
| 2 | F | 27.7 | Very low | 26.8 | Very low | 189 Ų | 189 | 148.8 Ų | 148.8 | 83% | 0.829 | 85% | 0.849 | S | S | * | * | | | trans | 44.3 | 98.3 | 173.7 | -57.9 | -74.6 | 0 | 0 | 0 | 120.7 | | |
| 3 | T | 21.7 | Very low | 26.9 | Very low | 143 Ų | 143 | 149.9 Ų | 149.9 | 88% | 0.877 | 85% | 0.85 | S | S | * | * | | | trans | -66.1 | 131.5 | 150 | 17.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 4 | V | 30.3 | Very low | 27.3 | Very low | 140 Ų | 140 | 146.1 Ų | 146.1 | 85% | 0.848 | 83% | 0.834 | S | S | * | * | | | trans | -134.7 | 107.6 | 162.6 | -176.5 | 0 | 0 | 0 | 0 | 104 | | |
| 5 | G | 25.5 | Very low | 27.2 | Very low | 60 Ų | 60 | 147.9 Ų | 147.9 | 62% | 0.619 | 84% | 0.84 | S | S | * | * | | | | 102.2 | 71 | 66.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | L7 | G5-L7 PolarHBondContact O-N 3.4Å; G5-L7 VanDerWaalsContact O-N 3.07Å |
| 6 | T | 25.2 | Very low | 27 | Very low | 140 Ų | 140 | 145.7 Ų | 145.7 | 86% | 0.859 | 83% | 0.83 | S | S | * | * | | | trans | -66.2 | 95.8 | 178.6 | 44.9 | 0 | 0 | 0 | 0 | 110.7 | K8 | T6-K8 VanDerWaalsContact C-N 3.34Å; T6-K8 PolarHBondContact O-N 3.33Å |
| 7 | L | 29.2 | Very low | 26.8 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 94% | 0.937 | 82% | 0.815 | S | S | * | * | | | trans | -80.9 | 89 | 171.3 | -76.5 | 171.6 | 0 | 0 | 0 | 110.7 | G5 | G5-L7 PolarHBondContact O-N 3.4Å; G5-L7 VanDerWaalsContact O-N 3.07Å |
| 8 | K | 25.8 | Very low | 26.8 | Very low | 209 Ų | 209 | 147.4 Ų | 147.4 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | | | trans | -47.8 | 133.6 | 156.8 | -158.1 | 175.2 | -172.9 | 177.8 | 0 | 111.3 | T6 | T6-K8 VanDerWaalsContact C-N 3.34Å; T6-K8 PolarHBondContact O-N 3.33Å |
| 9 | G | 26.6 | Very low | 26.8 | Very low | 70 Ų | 70 | 146.3 Ų | 146.3 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | | | trans | 122.4 | 85.9 | 167 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 10 | G | 27.1 | Very low | 26.7 | Very low | 81 Ų | 81 | 144.1 Ų | 144.1 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | cis | 77.7 | 22 | 36 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 11 | R | 25.8 | Very low | 26.7 | Very low | 243 Ų | 243 | 141.5 Ų | 141.5 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | | | trans | -108.9 | 76.9 | 166.3 | -72.5 | -174.4 | 170.5 | -164.8 | -2.6 | 109.5 | | |
| 12 | S | 28.2 | Very low | 26.4 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | trans | -59.3 | 139 | 154.3 | 50.9 | 0 | 0 | 0 | 0 | 109 | | |
| 13 | L | 27.8 | Very low | 26.4 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | | | trans | 163.4 | 151.4 | 138.7 | -85.9 | 167.2 | 0 | 0 | 0 | 108.7 | | |
| 14 | P | 32.9 | Very low | 26.6 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 63% | 0.63 | 78% | 0.776 | S | S | * | * | | | cis | -116.8 | 160.9 | -21 | 27 | -7.9 | 0 | 0 | 0 | 112 | V16 | P14-V16 HydrophobicContact CG-CG2 4.14Å; P14-V16 PolarHBondContact O-N 3.48Å |
| 15 | N | 24.9 | Very low | 26.2 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 93% | 0.925 | 76% | 0.762 | S | S | * | * | | | trans | -46.2 | 108.7 | 155.4 | -111.7 | -18.4 | 0 | 0 | 0 | 109.8 | | |
| 16 | V | 25.1 | Very low | 26.2 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 68% | 0.679 | 77% | 0.768 | S | S | * | * | | | trans | -141.2 | 118.4 | 164.7 | 175.1 | 0 | 0 | 0 | 0 | 104.6 | P14 | P14-V16 HydrophobicContact CG-CG2 4.14Å; P14-V16 PolarHBondContact O-N 3.48Å |
| 17 | H | 23.8 | Very low | 26.2 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 57% | 0.574 | 77% | 0.769 | S | S | * | * | | | cis | -159.6 | 119.7 | -2.5 | -117.8 | -120.1 | 0 | 0 | 0 | 102.2 | L19 | H17-L19 WeakPolarHBondContact ND1-CD1 3.5Š|
| 18 | H | 26.9 | Very low | 26.1 | Very low | 198 Ų | 198 | 140.2 Ų | 140.2 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | | | trans | -124 | 89.4 | 139.3 | -85.2 | -73.5 | 0 | 0 | 0 | 104.7 | S20 | H18-S20 PolarHBondContact O-N 3.48Š|
| 19 | L | 25.5 | Very low | 26 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | | | trans | -49.2 | 98.8 | 145.3 | -72.2 | 164.4 | 0 | 0 | 0 | 105.8 | H17 S21 | H17-L19 WeakPolarHBondContact ND1-CD1 3.5Å; L19-S21 PolarHBondContact O-N 3.44Å |
| 20 | S | 24.5 | Very low | 25.9 | Very low | 102 Ų | 102 | 137 Ų | 137 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -38.4 | 127.4 | 135.7 | 170.4 | 0 | 0 | 0 | 0 | 107.5 | H18 | H18-S20 PolarHBondContact O-N 3.48Š|
| 21 | S | 27.2 | Very low | 25.8 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 53.5 | 91.7 | 175.1 | 65 | 0 | 0 | 0 | 0 | 116 | L19 | L19-S21 PolarHBondContact O-N 3.44Š|
| 22 | N | 22.6 | Very low | 25.6 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 64% | 0.642 | 73% | 0.73 | S | S | * | * | | | | 170.3 | 93.9 | 115.9 | -90.3 | -27.2 | 0 | 0 | 0 | 108.9 | Q24 | N22-Q24 HydrophobicContact CB-CB 4.43Å; N22-Q24 PolarHBondContact O-N 3.17Å; N22-Q24 VanDerWaalsContact O-N 3.13Å |
| 23 | N | 27.6 | Very low | 25.5 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 91% | 0.914 | 72% | 0.724 | S | S | * | * | | | trans | -71.5 | 64.5 | 133 | -77.3 | -2.1 | 0 | 0 | 0 | 106.3 | | |
| 24 | Q | 25.7 | Very low | 25.3 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 79% | 0.794 | 71% | 0.714 | S | S | * | * | | | | -91.3 | 110.3 | 111.8 | -60.6 | -163 | -10.1 | 0 | 0 | 112.4 | N22 | N22-Q24 HydrophobicContact CB-CB 4.43Å; N22-Q24 PolarHBondContact O-N 3.17Å; N22-Q24 VanDerWaalsContact O-N 3.13Å |
| 25 | G | 22.8 | Very low | 24.8 | Very low | 54 Ų | 54 | 135.1 Ų | 135.1 | 56% | 0.557 | 71% | 0.714 | S | S | * | * | | | trans | 152.5 | 105.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 26 | L | 24.2 | Very low | 24.7 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 73% | 0.728 | 70% | 0.699 | S | S | * | * | | | cis | -140.8 | 115.6 | 21.9 | -69 | 116.9 | 0 | 0 | 0 | 107.9 | F28 | L26-F28 HydrophobicContact CB-CD2 4.01Å; L26-F28 HydrophobicContact CB-CE2 4.11Å; L26-F28 HydrophobicContact CD2-CE2 4.15Å; L26-F28 HydrophobicContact CD2-CZ 4.37Å; L26-F28 HydrophobicContact CG-CE2 4.49Å; L26-F28 PolarHBondContact O-N 3.31Å |
| 27 | Y | 25.1 | Very low | 24.7 | Very low | 225 Ų | 225 | 130.4 Ų | 130.4 | 88% | 0.882 | 70% | 0.696 | S | S | * | * | | | trans | -57.9 | 94.8 | 143.2 | -88.6 | -102.1 | 0 | 0 | 0 | 106 | G29 | Y27-G29 PolarHBondContact O-N 3.28Š|
| 28 | F | 28.6 | Very low | 24.7 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 76% | 0.763 | 71% | 0.709 | S | S | * | * | | | trans | -72.6 | 60.3 | 139.2 | -76 | -77.6 | 0 | 0 | 0 | 107.1 | L26 E30 | L26-F28 HydrophobicContact CB-CD2 4.01Å; L26-F28 HydrophobicContact CB-CE2 4.11Å; L26-F28 HydrophobicContact CD2-CE2 4.15Å; L26-F28 HydrophobicContact CD2-CZ 4.37Å; L26-F28 HydrophobicContact CG-CE2 4.49Å; L26-F28 PolarHBondContact O-N 3.31Å; F28-E30 VanDerWaalsContact C-N 3.25Å |
| 29 | G | 23.8 | Very low | 25.4 | Very low | 46 Ų | 46 | 125.1 Ų | 125.1 | 47% | 0.474 | 69% | 0.691 | S | S | . | * | | | trans | -98.5 | 30.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y27 N31 | Y27-G29 PolarHBondContact O-N 3.28Å; G29-N31 PolarHBondContact O-N 2.93Å |
| 30 | E | 24.3 | Very low | 25.5 | Very low | 165 Ų | 165 | 125.7 Ų | 125.7 | 77% | 0.771 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -71.4 | 89.7 | 167 | -68.1 | -164.2 | 161.6 | 0 | 0 | 107.7 | F28 | F28-E30 VanDerWaalsContact C-N 3.25Š|
| 31 | N | 24.2 | Very low | 25.6 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 73.1 | 54.5 | 166 | -65 | -44.1 | 0 | 0 | 0 | 119 | G29 | G29-N31 PolarHBondContact O-N 2.93Š|
| 32 | Y | 22.9 | Very low | 25.4 | Very low | 200 Ų | 200 | 125.8 Ų | 125.8 | 78% | 0.784 | 71% | 0.712 | S | S | * | * | | | trans | -124.4 | 65 | 133.2 | -58.3 | -81.4 | 0 | 0 | 0 | 106.6 | N34 L35 | Y32-N34 PolarHBondContact O-N 2.94Å; Y32-L35 HydrophobicContact CD1-CD1 4Å; Y32-L35 HydrophobicContact CE1-CD1 4.34Å |
| 33 | A | 24.4 | Very low | 25.5 | Very low | 71 Ų | 71 | 128.6 Ų | 128.6 | 59% | 0.587 | 72% | 0.721 | S | S | * | * | | | | 19.8 | 70.2 | 77.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L35 | A33-L35 VanDerWaalsContact C-N 3.33Å; A33-L35 PolarHBondContact O-N 2.86Å |
| 34 | N | 23.6 | Very low | 25.4 | Very low | 122 Ų | 122 | 131 Ų | 131 | 65% | 0.652 | 72% | 0.719 | S | S | * | * | | | trans | 23 | 74.5 | 136.8 | -143 | 21.1 | 0 | 0 | 0 | 113.1 | Y32 T36 | Y32-N34 PolarHBondContact O-N 2.94Å; N34-T36 PolarHBondContact ND2-OG1 2.89Å; N34-T36 PolarHBondContact O-N 2.88Å; N34-T36 PolarHBondContact OD1-OG1 2.78Å |
| 35 | L | 22.7 | Very low | 25.5 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 64% | 0.639 | 72% | 0.721 | S | S | * | * | | | trans | -70.5 | 56.5 | 145.3 | -78.7 | 152.7 | 0 | 0 | 0 | 107.3 | Y32 A33 | Y32-L35 HydrophobicContact CD1-CD1 4Å; Y32-L35 HydrophobicContact CE1-CD1 4.34Å; A33-L35 VanDerWaalsContact C-N 3.33Å; A33-L35 PolarHBondContact O-N 2.86Å |
| 36 | T | 24.1 | Very low | 25.8 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 61% | 0.607 | 73% | 0.73 | S | S | * | * | | | trans | -110.1 | 97.6 | 134.5 | 64.4 | 0 | 0 | 0 | 0 | 102.1 | N34 | N34-T36 PolarHBondContact ND2-OG1 2.89Å; N34-T36 PolarHBondContact O-N 2.88Å; N34-T36 PolarHBondContact OD1-OG1 2.78Å |
| 37 | S | 24.2 | Very low | 25.9 | Very low | 87 Ų | 87 | 130.9 Ų | 130.9 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | S | Bend | | -112.1 | -179.6 | 75 | 54.4 | 0 | 0 | 0 | 0 | 112 | G39 | S37-G39 PolarHBondContact O-N 2.85Š|
| 38 | D | 23 | Very low | 26.1 | Very low | 161 Ų | 161 | 129.6 Ų | 129.6 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 0.2 | 123.1 | 137.8 | -59.5 | -44.9 | 0 | 0 | 0 | 115.9 | | |
| 39 | G | 41.8 | Very low | 26 | Very low | 51 Ų | 51 | 126.7 Ų | 126.7 | 53% | 0.526 | 72% | 0.723 | S | S | . | * | | | trans | 131.2 | 84.2 | 160 | 0 | 0 | 0 | 0 | 0 | 119 | S37 | S37-G39 PolarHBondContact O-N 2.85Š|
| 40 | T | 27.6 | Very low | 26.1 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 84% | 0.84 | 74% | 0.737 | S | S | * | * | | | trans | 60.5 | 119.2 | 160.5 | 51 | 0 | 0 | 0 | 0 | 121.7 | | |
| 41 | S | 27.4 | Very low | 26.1 | Very low | 124 Ų | 124 | 131 Ų | 131 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | | | trans | 60.1 | 123.8 | 153.4 | 60.7 | 0 | 0 | 0 | 0 | 122.5 | | |
| 42 | G | 23.5 | Very low | 26.2 | Very low | 72 Ų | 72 | 130.2 Ų | 130.2 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | | | trans | 156.3 | 92.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 43 | E | 24.6 | Very low | 26.5 | Very low | 179 Ų | 179 | 125.8 Ų | 125.8 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | | | | 75.2 | 122.2 | 84.3 | -84.8 | 176.1 | 174.1 | 0 | 0 | 115.9 | | |
| 44 | Y | 25.4 | Very low | 26.7 | Very low | 220 Ų | 220 | 134.5 Ų | 134.5 | 86% | 0.863 | 75% | 0.751 | S | S | * | * | | | trans | -64.6 | 135.9 | -170.2 | -71.3 | -107.8 | 0 | 0 | 0 | 112.7 | | |
| 45 | N | 28.3 | Very low | 26.9 | Very low | 160 Ų | 160 | 132.2 Ų | 132.2 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | | | trans | -120.3 | 58.6 | 168.8 | -88.5 | -78.2 | 0 | 0 | 0 | 110.4 | G47 | N45-G47 PolarHBondContact O-N 3.3Å; N45-G47 VanDerWaalsContact O-N 3.12Å |
| 46 | D | 28.9 | Very low | 27.1 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | | | trans | -83.5 | 71.1 | 164 | -83 | -35.9 | 0 | 0 | 0 | 109.3 | F48 | D46-F48 PolarHBondContact O-N 3.32Å; D46-F48 VanDerWaalsContact O-N 3.11Å |
| 47 | G | 24.6 | Very low | 27.3 | Very low | 65 Ų | 65 | 135.4 Ų | 135.4 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | | | trans | -72.8 | 97.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | N45 V49 | N45-G47 PolarHBondContact O-N 3.3Å; N45-G47 VanDerWaalsContact O-N 3.12Å; G47-V49 PolarHBondContact O-N 2.7Å |
| 48 | F | 30.7 | Very low | 27.7 | Very low | 198 Ų | 198 | 138.5 Ų | 138.5 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | | | trans | -49.5 | 102.8 | 167.6 | -83.5 | -98.4 | 0 | 0 | 0 | 110.7 | D46 I50 | D46-F48 PolarHBondContact O-N 3.32Å; D46-F48 VanDerWaalsContact O-N 3.11Å; F48-I50 PolarHBondContact O-N 2.98Å |
| 49 | V | 26.6 | Very low | 28 | Very low | 113 Ų | 113 | 134 Ų | 134 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | | | trans | -74 | 95.8 | 165.6 | -179.9 | 0 | 0 | 0 | 0 | 106.7 | G47 H51 | G47-V49 PolarHBondContact O-N 2.7Å; V49-H51 PolarHBondContact O-N 3.03Å |
| 50 | I | 25.8 | Very low | 27.3 | Very low | 151 Ų | 151 | 135 Ų | 135 | 77% | 0.774 | 77% | 0.773 | S | S | * | * | | | trans | -61.8 | 94.6 | 165.3 | -57.6 | 174.6 | 0 | 0 | 0 | 106 | F48 P52 | F48-I50 PolarHBondContact O-N 2.98Å; I50-P52 WeakPolarHBondContact O-CD 3.38Å; I50-P52 VanDerWaalsContact O-N 3.12Å |
| 51 | H | 23 | Very low | 27.6 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | | | trans | -60.8 | 113.3 | 166.1 | -84.6 | -94.2 | 0 | 0 | 0 | 106.6 | V49 S53 | V49-H51 PolarHBondContact O-N 3.03Å; H51-S53 VanDerWaalsContact C-N 3.29Å; H51-S53 PolarHBondContact O-N 3.24Å |
| 52 | P | 27 | Very low | 27.6 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | | | trans | -62.1 | 104.7 | 166.9 | 26.2 | -30 | 0 | 0 | 0 | 105.2 | I50 R54 | I50-P52 WeakPolarHBondContact O-CD 3.38Å; I50-P52 VanDerWaalsContact O-N 3.12Å; P52-R54 PolarHBondContact O-N 3.03Å |
| 53 | S | 29.1 | Very low | 27.6 | Very low | 108 Ų | 108 | 147.2 Ų | 147.2 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | -51.9 | 111.7 | 175.6 | -53.4 | 0 | 0 | 0 | 0 | 106.7 | H51 G55 | H51-S53 VanDerWaalsContact C-N 3.29Å; H51-S53 PolarHBondContact O-N 3.24Å; S53-G55 PolarHBondContact O-N 3.5Å; S53-G55 VanDerWaalsContact O-N 3.14Å |
| 54 | R | 29.4 | Very low | 27.7 | Very low | 253 Ų | 253 | 149.3 Ų | 149.3 | 96% | 0.955 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -36.6 | 119.6 | 175.2 | -88 | 172.7 | 162.3 | 142.2 | -7.1 | 110 | P52 | P52-R54 PolarHBondContact O-N 3.03Š|
| 55 | G | 27.1 | Very low | 27.7 | Very low | 75 Ų | 75 | 142.7 Ų | 142.7 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.1 | 25 | 147.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | S53 | S53-G55 PolarHBondContact O-N 3.5Å; S53-G55 VanDerWaalsContact O-N 3.14Å |
| 56 | R | 26.6 | Very low | 27.9 | Very low | 192 Ų | 192 | 140.2 Ų | 140.2 | 73% | 0.725 | 75% | 0.751 | S | S | * | * | | | trans | -94.8 | 108.1 | 159.4 | -69.8 | -169.9 | 179.3 | -147.6 | 0.6 | 109.2 | | |
| 57 | S | 27.9 | Very low | 27.8 | Very low | 96 Ų | 96 | 143.6 Ų | 143.6 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | | | trans | -48.3 | 148.3 | -179.5 | -50.7 | 0 | 0 | 0 | 0 | 111.7 | G59 | S57-G59 PolarHBondContact O-N 3.38Š|
| 58 | P | 32.7 | Very low | 28 | Very low | 152 Ų | 152 | 148.3 Ų | 148.3 | 99% | 0.987 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 28.1 | -172.5 | -16.5 | 30.5 | 0 | 0 | 0 | 116.5 | | |
| 59 | G | 30.7 | Very low | 27.8 | Very low | 66 Ų | 66 | 149 Ų | 149 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.2 | -12.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | S57 R61 | S57-G59 PolarHBondContact O-N 3.38Å; G59-R61 VanDerWaalsContact C-N 3.31Å; G59-R61 PolarHBondContact O-N 3.36Å |
| 60 | S | 27 | Very low | 27.8 | Very low | 73 Ų | 73 | 148.2 Ų | 148.2 | 51% | 0.51 | 76% | 0.756 | S | S | . | * | | | trans | -84.1 | 74.5 | 178.6 | 71.8 | 0 | 0 | 0 | 0 | 110.8 | Y62 | S60-Y62 PolarHBondContact O-N 3.03Š|
| 61 | R | 33.6 | Very low | 27.8 | Very low | 222 Ų | 222 | 149.7 Ų | 149.7 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | | | trans | -61 | 123.2 | 162.7 | -72.3 | -172 | -162.8 | -158.7 | 4 | 107.4 | G59 H63 | G59-R61 VanDerWaalsContact C-N 3.31Å; G59-R61 PolarHBondContact O-N 3.36Å; R61-H63 PolarHBondContact O-N 2.8Å |
| 62 | Y | 27.1 | Very low | 28 | Very low | 192 Ų | 192 | 147.1 Ų | 147.1 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | | | trans | -53.2 | 107.4 | 171.9 | -66.9 | -90.1 | 0 | 0 | 0 | 109.4 | S60 Y64 | S60-Y62 PolarHBondContact O-N 3.03Å; Y62-Y64 PolarHBondContact O-N 3.17Å; Y62-Y64 VanDerWaalsContact O-N 3.14Å |
| 63 | H | 24.3 | Very low | 28.3 | Very low | 175 Ų | 175 | 147.5 Ų | 147.5 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | | | trans | -74.5 | 96.6 | 162.3 | -81.6 | -95.9 | 0 | 0 | 0 | 107.1 | R61 S65 | R61-H63 PolarHBondContact O-N 2.8Å; H63-S65 PolarHBondContact O-N 3.22Å |
| 64 | Y | 26.1 | Very low | 28.2 | Very low | 222 Ų | 222 | 150 Ų | 150 | 87% | 0.871 | 76% | 0.758 | S | S | * | * | | | trans | -63.1 | 101.1 | 161.5 | -112.3 | -90.1 | 0 | 0 | 0 | 107.3 | Y62 P66 | Y62-Y64 PolarHBondContact O-N 3.17Å; Y62-Y64 VanDerWaalsContact O-N 3.14Å; Y64-P66 WeakPolarHBondContact O-CD 3.2Å |
| 65 | S | 24.7 | Very low | 28.1 | Very low | 81 Ų | 81 | 143.6 Ų | 143.6 | 57% | 0.566 | 75% | 0.747 | S | S | * | * | | | trans | -82.7 | 119.6 | 168.8 | -74.2 | 0 | 0 | 0 | 0 | 108.2 | H63 Y67 | H63-S65 PolarHBondContact O-N 3.22Å; S65-Y67 PolarHBondContact O-N 3.26Å |
| 66 | P | 33.8 | Very low | 28 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -70 | -3.4 | -177.3 | -14.8 | 28.9 | 0 | 0 | 0 | 114.2 | Y64 | Y64-P66 WeakPolarHBondContact O-CD 3.2Š|
| 67 | Y | 25.9 | Very low | 28.2 | Very low | 208 Ų | 208 | 142.5 Ų | 142.5 | 82% | 0.816 | 76% | 0.756 | S | S | * | * | | | trans | -108 | 61.4 | -172.2 | -60.7 | -76 | 0 | 0 | 0 | 111.8 | S65 | S65-Y67 PolarHBondContact O-N 3.26Š|
| 68 | H | 28.9 | Very low | 28.2 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | trans | -130 | 49.8 | 160.4 | -100 | -90.3 | 0 | 0 | 0 | 110.6 | S70 | H68-S70 PolarHBondContact O-N 2.94Š|
| 69 | R | 26.3 | Very low | 27.9 | Very low | 212 Ų | 212 | 141.2 Ų | 141.2 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | | | trans | -80.8 | 72.7 | 151.1 | -69.6 | -174.4 | -168.3 | -103.2 | 1.1 | 107.8 | F71 | R69-F71 HydrophobicContact CB-CD2 4.4Å; R69-F71 HydrophobicContact CB-CE2 4.32Å; R69-F71 PolarHBondContact O-N 3.18Å |
| 70 | S | 27.8 | Very low | 28.3 | Very low | 97 Ų | 97 | 146 Ų | 146 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | trans | -71.6 | 92.8 | 160.4 | 50.4 | 0 | 0 | 0 | 0 | 106.7 | H68 S72 | H68-S70 PolarHBondContact O-N 2.94Å; S70-S72 VanDerWaalsContact C-N 3.33Å; S70-S72 PolarHBondContact O-N 2.81Å |
| 71 | F | 26.1 | Very low | 28.9 | Very low | 183 Ų | 183 | 149.3 Ų | 149.3 | 80% | 0.803 | 77% | 0.766 | S | S | * | * | | | trans | -56 | 101.3 | 161.9 | -79.9 | -91 | 0 | 0 | 0 | 107.2 | R69 P73 | R69-F71 HydrophobicContact CB-CD2 4.4Å; R69-F71 HydrophobicContact CB-CE2 4.32Å; R69-F71 PolarHBondContact O-N 3.18Å; F71-P73 WeakPolarHBondContact O-CD 3.43Å |
| 72 | S | 25.4 | Very low | 28.9 | Very low | 95 Ų | 95 | 148 Ų | 148 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | | | trans | -78.8 | 116.1 | 163.6 | -169.9 | 0 | 0 | 0 | 0 | 106.9 | S70 Q74 | S70-S72 VanDerWaalsContact C-N 3.33Å; S70-S72 PolarHBondContact O-N 2.81Å; S72-Q74 PolarHBondContact O-N 3.42Å |
| 73 | P | 33.6 | Very low | 29.2 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | | | trans | -84 | 96.7 | 173.1 | 31.5 | -25 | 0 | 0 | 0 | 107.8 | F71 | F71-P73 WeakPolarHBondContact O-CD 3.43Š|
| 74 | Q | 27.4 | Very low | 30.1 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | | | trans | -135.4 | 100.5 | 166.3 | -76.2 | -159.8 | 0.1 | 0 | 0 | 112.6 | S72 | S72-Q74 PolarHBondContact O-N 3.42Š|
| 75 | T | 26.8 | Very low | 30.6 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | | | trans | 55.1 | 96.5 | 133.7 | 60 | 0 | 0 | 0 | 0 | 118.7 | A77 | T75-A77 PolarHBondContact O-N 2.77Å; T75-A77 VanDerWaalsContact O-N 3.14Å |
| 76 | T | 25.9 | Very low | 31.4 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 93% | 0.933 | 76% | 0.757 | S | S | * | * | | | trans | -36.7 | 107.6 | 140.3 | 32.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 77 | A | 29.8 | Very low | 31.5 | Very low | 92 Ų | 92 | 143.9 Ų | 143.9 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | | | trans | -142.5 | 65.2 | 161 | 0 | 0 | 0 | 0 | 0 | 109.3 | T75 | T75-A77 PolarHBondContact O-N 2.77Å; T75-A77 VanDerWaalsContact O-N 3.14Å |
| 78 | S | 28.1 | Very low | 32.1 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | | | trans | -168.2 | 64.4 | 154.5 | 26.7 | 0 | 0 | 0 | 0 | 106.8 | | |
| 79 | S | 26.9 | Very low | 32.5 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | | | trans | -58.8 | 152 | 151 | 51.3 | 0 | 0 | 0 | 0 | 109 | | |
| 80 | E | 39 | Very low | 33.1 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 82.3 | 93.8 | 175.5 | -51.3 | -176.9 | 173.2 | 0 | 0 | 114.1 | | |
| 81 | I | 39.3 | Very low | 33.3 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | S | Bend | | 172 | -3.5 | 129.6 | -83.1 | 154.3 | 0 | 0 | 0 | 112.9 | | |
| 82 | F | 34.1 | Very low | 33.7 | Very low | 195 Ų | 195 | 140 Ų | 140 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | | | trans | -121.3 | 40.4 | 172.1 | -66.8 | -76.8 | 0 | 0 | 0 | 114.5 | | |
| 83 | D | 33.3 | Very low | 33.9 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | | | trans | -78.9 | 124 | 154 | -90.3 | -64.4 | 0 | 0 | 0 | 109.3 | | |
| 84 | D | 42.9 | Very low | 33.6 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 56% | 0.561 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 138.5 | -24.1 | 143.4 | -102.8 | -38.6 | 0 | 0 | 0 | 115.7 | | |
| 85 | K | 36.3 | Very low | 33.8 | Very low | 194 Ų | 194 | 143.8 Ų | 143.8 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -89.8 | -32.1 | 178.4 | -99.8 | -172.8 | 176.4 | -173.5 | 0 | 114.5 | | |
| 86 | L | 41.9 | Very low | 33.9 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -84.4 | -30.8 | -179 | -96.9 | 150.9 | 0 | 0 | 0 | 113.1 | R88 Q89 R90 | L86-R88 PolarHBondContact O-N 3.12Å; L86-Q89 PolarHBondContact O-N 3.04Å; L86-R90 PolarHBondContact O-N 3.2Å |
| 87 | E | 36.6 | Very low | 34.2 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 62% | 0.617 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -66.5 | -38.8 | -178.9 | -157.8 | 65.3 | -158.3 | 0 | 0 | 112 | Q89 R90 S91 | E87-Q89 PolarHBondContact O-N 3.42Å; E87-R90 PolarHBondContact O-N 3.04Å; E87-S91 PolarHBondContact O-N 2.68Å |
| 88 | R | 37.7 | Very low | 34.6 | Very low | 177 Ų | 177 | 150.2 Ų | 150.2 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -66.9 | -34.7 | 178.2 | -70.9 | -171.1 | -156.3 | -177.6 | 6.4 | 113.2 | L86 R90 S91 | L86-R88 PolarHBondContact O-N 3.12Å; R88-R90 VanDerWaalsContact C-N 3.33Å; R88-S91 PolarHBondContact O-N 2.84Å; R88-S91 PolarHBondContact O-OG 2.91Å |
| 89 | Q | 36.6 | Very low | 34.8 | Very low | 165 Ų | 165 | 155.3 Ų | 155.3 | 77% | 0.771 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -74.7 | -22.6 | 180 | -73.8 | -165.8 | -28.1 | 0 | 0 | 113.2 | L86 E87 | L86-Q89 PolarHBondContact O-N 3.04Å; E87-Q89 PolarHBondContact O-N 3.42Å |
| 90 | R | 38.8 | Very low | 35.2 | Very low | 209 Ų | 209 | 161.2 Ų | 161.2 | 79% | 0.789 | 76% | 0.764 | S | S | * | * | H | α-helix | trans | -82.6 | -18.1 | 173.7 | -79.9 | -175.6 | 164.9 | -169.6 | -2.8 | 114.1 | L86 E87 R88 L92 | L86-R90 PolarHBondContact O-N 3.2Å; E87-R90 PolarHBondContact O-N 3.04Å; R88-R90 VanDerWaalsContact C-N 3.33Å; R90-L92 VanDerWaalsContact C-N 3.33Å; R90-L92 PolarHBondContact O-N 3.09Å |
| 91 | S | 33.7 | Very low | 35.1 | Very low | 87 Ų | 87 | 161.4 Ų | 161.4 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -6.4 | -175.7 | 71.7 | 0 | 0 | 0 | 0 | 116.3 | E87 R88 | E87-S91 PolarHBondContact O-N 2.68Å; R88-S91 PolarHBondContact O-N 2.84Å; R88-S91 PolarHBondContact O-OG 2.91Å |
| 92 | L | 34.5 | Very low | 34.8 | Very low | 145 Ų | 145 | 162.9 Ų | 162.9 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | 22.1 | -171 | -77.4 | 168.3 | 0 | 0 | 0 | 116.3 | R90 | R90-L92 VanDerWaalsContact C-N 3.33Å; R90-L92 PolarHBondContact O-N 3.09Å |
| 93 | Q | 28.3 | Very low | 35.1 | Very low | 181 Ų | 181 | 157.9 Ų | 157.9 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | trans | -121.9 | 100.5 | 160.1 | -74.2 | -143.1 | -12.7 | 0 | 0 | 111.6 | | |
| 94 | P | 27.9 | Very low | 35.3 | Very low | 114 Ų | 114 | 155.8 Ų | 155.8 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | | | trans | -64.9 | 145.4 | 169.3 | 25.5 | -30.4 | 0 | 0 | 0 | 110.7 | Q96 | P94-Q96 PolarHBondContact O-N 3.42Š|
| 95 | L | 31.3 | Very low | 35.6 | Very low | 164 Ų | 164 | 157 Ų | 157 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | | | trans | -26.1 | 109.8 | 174.9 | -70.6 | 82.4 | 0 | 0 | 0 | 114.1 | | |
| 96 | Q | 29.8 | Very low | 35.8 | Very low | 181 Ų | 181 | 153.1 Ų | 153.1 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | | | trans | -104.2 | 107.7 | 138.3 | -70.3 | -146.5 | -24.8 | 0 | 0 | 107.1 | P94 Q98 | P94-Q96 PolarHBondContact O-N 3.42Å; Q96-Q98 VanDerWaalsContact C-N 3.3Å; Q96-Q98 PolarHBondContact O-N 2.86Å |
| 97 | T | 32.4 | Very low | 35.7 | Very low | 129 Ų | 129 | 151.1 Ų | 151.1 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | trans | -35.3 | 91.1 | 164.4 | -25.6 | 0 | 0 | 0 | 0 | 109.3 | R99 | T97-R99 PolarHBondContact O-N 2.91Š|
| 98 | Q | 37.1 | Very low | 35.8 | Very low | 186 Ų | 186 | 148.6 Ų | 148.6 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | | | trans | -65.7 | 108.8 | 174.6 | -79.3 | -157.1 | -9.8 | 0 | 0 | 105.6 | Q96 Y100 | Q96-Q98 VanDerWaalsContact C-N 3.3Å; Q96-Q98 PolarHBondContact O-N 2.86Å; Q98-Y100 PolarHBondContact O-N 3.29Å |
| 99 | R | 31.5 | Very low | 36 | Very low | 225 Ų | 225 | 147.7 Ų | 147.7 | 85% | 0.849 | 74% | 0.743 | S | S | * | * | | | trans | -43.1 | 117.8 | -177.9 | -59.7 | -158.9 | -165.2 | -160.5 | 9.1 | 107.8 | T97 L101 | T97-R99 PolarHBondContact O-N 2.91Å; R99-L101 PolarHBondContact O-N 3.09Å |
| 100 | Y | 35.4 | Very low | 36 | Very low | 227 Ų | 227 | 148.5 Ų | 148.5 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | | | trans | -43.1 | 115.1 | 154.3 | -84.8 | -94 | 0 | 0 | 0 | 105.7 | Q98 Q102 | Q98-Y100 PolarHBondContact O-N 3.29Å; Y100-Q102 PolarHBondContact O-N 3.28Å |
| 101 | L | 38.2 | Very low | 36 | Very low | 170 Ų | 170 | 147.8 Ų | 147.8 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | | | trans | -63.4 | 82.5 | 173 | -74.8 | 161.2 | 0 | 0 | 0 | 105.5 | R99 P103 | R99-L101 PolarHBondContact O-N 3.09Å; L101-P103 WeakPolarHBondContact O-CD 3.5Å; L101-P103 VanDerWaalsContact O-N 3.15Å |
| 102 | Q | 31.5 | Very low | 36.3 | Very low | 175 Ų | 175 | 148.7 Ų | 148.7 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 119.8 | 171.2 | -161.6 | 169.4 | 1.8 | 0 | 0 | 104.1 | Y100 | Y100-Q102 PolarHBondContact O-N 3.28Š|
| 103 | P | 42 | Very low | 36.7 | Very low | 89 Ų | 89 | 149 Ų | 149 | 58% | 0.578 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 145.1 | -179.6 | 21.7 | -31.6 | 0 | 0 | 0 | 108.2 | L101 | L101-P103 WeakPolarHBondContact O-CD 3.5Å; L101-P103 VanDerWaalsContact O-N 3.15Å |
| 104 | P | 37.9 | Very low | 36.7 | Very low | 94 Ų | 94 | 144.7 Ų | 144.7 | 61% | 0.61 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 138.4 | -176.9 | -25.8 | 32.2 | 0 | 0 | 0 | 110.4 | D106 | P104-D106 PolarHBondContact O-N 3.25Š|
| 105 | P | 47.4 | Very low | 36.9 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 84% | 0.844 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -59.9 | -9.1 | 179.2 | 21.7 | -30.8 | 0 | 0 | 0 | 113.3 | T107 | P105-T107 PolarHBondContact O-N 3.05Å; P105-T107 VanDerWaalsContact O-N 3.09Å |
| 106 | D | 41.5 | Very low | 37 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 60% | 0.604 | 71% | 0.708 | S | S | * | * | | | trans | -72.8 | 100.1 | 171.1 | -66.1 | -36.8 | 0 | 0 | 0 | 111.1 | P104 S108 | P104-D106 PolarHBondContact O-N 3.25Å; D106-S108 PolarHBondContact O-N 3.46Å; D106-S108 PolarHBondContact O-OG 3.13Å |
| 107 | T | 39.4 | Very low | 37.4 | Very low | 80 Ų | 80 | 138.1 Ų | 138.1 | 49% | 0.491 | 70% | 0.7 | S | S | . | * | G | 310 helix | trans | -62.9 | 19.7 | 166.3 | 44.6 | 0 | 0 | 0 | 0 | 113.6 | P105 W109 R110 | P105-T107 PolarHBondContact O-N 3.05Å; P105-T107 VanDerWaalsContact O-N 3.09Å; T107-W109 PolarHBondContact O-N 3.35Å; T107-R110 WeakPolarHBondContact O-CA 3.24Å; T107-R110 WeakPolarHBondContact O-CB 3.48Å; T107-R110 PolarHBondContact O-N 3.25Å |
| 108 | S | 38.8 | Very low | 37.5 | Very low | 80 Ų | 80 | 139.3 Ų | 139.3 | 56% | 0.559 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -59.8 | -32.5 | 177.2 | 53.4 | 0 | 0 | 0 | 0 | 112 | D106 R110 R111 | D106-S108 PolarHBondContact O-N 3.46Å; D106-S108 PolarHBondContact O-OG 3.13Å; S108-R110 PolarHBondContact O-N 3.12Å; S108-R111 PolarHBondContact O-N 2.89Å; S108-R111 VanDerWaalsContact O-N 3.09Å |
| 109 | W | 41.8 | Very low | 37.2 | Very low | 158 Ų | 158 | 138.5 Ų | 138.5 | 60% | 0.598 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -66.3 | -21 | 172.9 | 68.6 | -90.7 | 0 | 0 | 0 | 113.6 | T107 | T107-W109 PolarHBondContact O-N 3.35Š|
| 110 | R | 36.2 | Very low | 37 | Very low | 181 Ų | 181 | 132.4 Ų | 132.4 | 68% | 0.683 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -85.2 | -11.3 | 173 | -75.2 | -173.3 | 171.2 | -124 | 1.5 | 113.5 | T107 S108 | T107-R110 WeakPolarHBondContact O-CA 3.24Å; T107-R110 WeakPolarHBondContact O-CB 3.48Å; T107-R110 PolarHBondContact O-N 3.25Å; S108-R110 PolarHBondContact O-N 3.12Å |
| 111 | R | 39 | Very low | 36.8 | Very low | 194 Ų | 194 | 126.9 Ų | 126.9 | 73% | 0.732 | 68% | 0.683 | S | S | * | * | | | trans | -89.9 | -6 | -170 | -85.5 | -173.7 | 180 | -112.1 | 2.4 | 115.9 | S108 H113 | S108-R111 PolarHBondContact O-N 2.89Å; S108-R111 VanDerWaalsContact O-N 3.09Å; R111-H113 PolarHBondContact O-N 2.85Å |
| 112 | T | 40.5 | Very low | 36.2 | Very low | 106 Ų | 106 | 121.4 Ų | 121.4 | 65% | 0.65 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 8.5 | -172.5 | 47.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 113 | H | 41.9 | Very low | 36.1 | Very low | 153 Ų | 153 | 121.5 Ų | 121.5 | 71% | 0.708 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.2 | 16.8 | 179.4 | -60.8 | -56.5 | 0 | 0 | 0 | 116.5 | R111 | R111-H113 PolarHBondContact O-N 2.85Š|
| 114 | S | 29.5 | Very low | 35.3 | Very low | 90 Ų | 90 | 123 Ų | 123 | 63% | 0.629 | 68% | 0.681 | S | S | * | * | | | trans | -134.4 | 73.7 | 167.5 | 58.7 | 0 | 0 | 0 | 0 | 109.3 | P116 | S114-P116 WeakPolarHBondContact O-CD 3.48Š|
| 115 | D | 30.8 | Very low | 34.6 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 59% | 0.594 | 69% | 0.689 | S | S | * | * | | | trans | -68.8 | 111.2 | 163.1 | -172.1 | -13.6 | 0 | 0 | 0 | 108 | V117 | D115-V117 PolarHBondContact O-N 2.89Å; D115-V117 WeakPolarHBondContact OD1-CB 3.46Å; D115-V117 WeakPolarHBondContact OD1-CG2 3.41Å; D115-V117 PolarHBondContact OD1-N 3.26Å; D115-V117 VanDerWaalsContact OD1-N 3.13Å |
| 116 | P | 35 | Very low | 33.6 | Very low | 97 Ų | 97 | 122.9 Ų | 122.9 | 63% | 0.63 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -73.7 | -5.1 | -177.1 | -11.4 | 28.4 | 0 | 0 | 0 | 113.6 | S114 L118 H119 S120 | S114-P116 WeakPolarHBondContact O-CD 3.48Å; P116-L118 PolarHBondContact O-N 3.07Å; P116-H119 PolarHBondContact O-N 2.92Å; P116-S120 PolarHBondContact O-OG 3.02Å |
| 117 | V | 36.9 | Very low | 32.8 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 69% | 0.685 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -72.9 | -13.3 | -174.2 | -177.6 | 0 | 0 | 0 | 0 | 112.7 | D115 | D115-V117 PolarHBondContact O-N 2.89Å; D115-V117 WeakPolarHBondContact OD1-CB 3.46Å; D115-V117 WeakPolarHBondContact OD1-CG2 3.41Å; D115-V117 PolarHBondContact OD1-N 3.26Å; D115-V117 VanDerWaalsContact OD1-N 3.13Å |
| 118 | L | 34.5 | Very low | 32 | Very low | 153 Ų | 153 | 128.3 Ų | 128.3 | 80% | 0.801 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -101.2 | -0.7 | 175.6 | -75.2 | 169 | 0 | 0 | 0 | 115.5 | P116 | P116-L118 PolarHBondContact O-N 3.07Š|
| 119 | H | 30.6 | Very low | 31.5 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 78% | 0.782 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -112.8 | 11.2 | 177 | -73.6 | -83.9 | 0 | 0 | 0 | 114.7 | P116 S121 | P116-H119 PolarHBondContact O-N 2.92Å; H119-S121 PolarHBondContact O-N 3.42Å |
| 120 | S | 27.4 | Very low | 30.7 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | | | trans | -91.5 | 55.9 | 171.3 | 16.1 | 0 | 0 | 0 | 0 | 111.4 | P116 G122 | P116-S120 PolarHBondContact O-OG 3.02Å; S120-G122 PolarHBondContact O-N 3Å |
| 121 | S | 31 | Very low | 30.3 | Very low | 111 Ų | 111 | 126.3 Ų | 126.3 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | | | trans | -82.1 | 86.5 | 159 | 48.5 | 0 | 0 | 0 | 0 | 108.8 | H119 | H119-S121 PolarHBondContact O-N 3.42Š|
| 122 | G | 25.6 | Very low | 29.7 | Very low | 54 Ų | 54 | 124.3 Ų | 124.3 | 56% | 0.557 | 73% | 0.73 | S | S | * | * | | | trans | 51.4 | 92.3 | 144.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | S120 | S120-G122 PolarHBondContact O-N 3Š|
| 123 | D | 29.5 | Very low | 28.8 | Very low | 177 Ų | 177 | 122.2 Ų | 122.2 | 95% | 0.947 | 73% | 0.729 | S | S | * | * | | | trans | -103.1 | 70.1 | 139.3 | -70.6 | -42.4 | 0 | 0 | 0 | 108.1 | | |
| 124 | V | 25.9 | Very low | 28.3 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | | | trans | -99.5 | 94 | 166.3 | 178.1 | 0 | 0 | 0 | 0 | 106.5 | | |
| 125 | N | 24.1 | Very low | 28 | Very low | 144 Ų | 144 | 125.8 Ų | 125.8 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | | | trans | 157.4 | 111.4 | 139.9 | -83.4 | -27.7 | 0 | 0 | 0 | 108.9 | | |
| 126 | A | 24.8 | Very low | 27.7 | Very low | 77 Ų | 77 | 128.9 Ų | 128.9 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | | | | 76.4 | 96.1 | 92.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 127 | Y | 24.6 | Very low | 27.2 | Very low | 244 Ų | 244 | 132.3 Ų | 132.3 | 96% | 0.957 | 77% | 0.771 | S | S | * | * | | | | -172.6 | 116.9 | 128.3 | -95.4 | -71.1 | 0 | 0 | 0 | 108.8 | | |
| 128 | G | 23.6 | Very low | 26.5 | Very low | 64 Ų | 64 | 134 Ų | 134 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | | | trans | 100.2 | 104.1 | 140.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 129 | T | 27.7 | Very low | 26.3 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | | | trans | 88.1 | 101.7 | 134.9 | 0.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 130 | V | 26 | Very low | 25.9 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | | | trans | -45 | 158.8 | 158.5 | -128.7 | 0 | 0 | 0 | 0 | 114.5 | I132 | V130-I132 HydrophobicContact CG1-CD1 4.1Å; V130-I132 HydrophobicContact CG1-CG1 3.73Å |
| 131 | P | 26.5 | Very low | 26.1 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | | | | -134 | 129.5 | 58.8 | 32.6 | -13.5 | 0 | 0 | 0 | 115 | | |
| 132 | I | 27.7 | Very low | 26 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | | | | 42.5 | 110.8 | 105.4 | -58.6 | 164.5 | 0 | 0 | 0 | 115.8 | V130 | V130-I132 HydrophobicContact CG1-CD1 4.1Å; V130-I132 HydrophobicContact CG1-CG1 3.73Å |
| 133 | G | 21.9 | Very low | 26.1 | Very low | 62 Ų | 62 | 138.7 Ų | 138.7 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | | | trans | 167.7 | 82.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 134 | L | 31.4 | Very low | 26.1 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 95% | 0.953 | 78% | 0.783 | S | S | * | * | | | trans | 149.6 | 70.9 | 155.9 | -78.7 | 157.3 | 0 | 0 | 0 | 110 | | |
| 135 | T | 23.3 | Very low | 26.4 | Very low | 136 Ų | 136 | 137 Ų | 137 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | | | trans | -87.9 | 110.4 | 173.8 | 41.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 136 | Q | 24.4 | Very low | 26.6 | Very low | 177 Ų | 177 | 141.3 Ų | 141.3 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | trans | -156.5 | 126.6 | 155.4 | -129.3 | 178.3 | 14.6 | 0 | 0 | 113.1 | | |
| 137 | M | 24.4 | Very low | 26.6 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | | | trans | 71.7 | 99.4 | 165.4 | -52 | -158.4 | -71.1 | 0 | 0 | 116.6 | | |
| 138 | N | 21.6 | Very low | 26.7 | Very low | 148 Ų | 148 | 136.4 Ų | 136.4 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | cis | 67.1 | 93.3 | 46.3 | -155 | -6.8 | 0 | 0 | 0 | 114.7 | | |
| 139 | Q | 29.9 | Very low | 27.2 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | | | trans | 175.8 | 86.4 | 141.8 | -96.8 | 177.5 | 73.6 | 0 | 0 | 106.9 | | |
| 140 | S | 23.7 | Very low | 27.2 | Very low | 89 Ų | 89 | 139.4 Ų | 139.4 | 62% | 0.622 | 79% | 0.789 | S | S | * | * | | | | 46.9 | 100.9 | 95.3 | 76.4 | 0 | 0 | 0 | 0 | 114 | | |
| 141 | L | 30.1 | Very low | 27.2 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | | | trans | -172.5 | 118.9 | 131 | -91.8 | 139.6 | 0 | 0 | 0 | 107.2 | | |
| 142 | T | 28.8 | Very low | 27 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | -39.6 | 143.7 | -175.3 | 31.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 143 | P | 27.8 | Very low | 26.9 | Very low | 114 Ų | 114 | 140 Ų | 140 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 139.7 | 177 | 28 | -32.6 | 0 | 0 | 0 | 111.1 | T145 | P143-T145 PolarHBondContact O-N 3.42Å; P143-T145 VanDerWaalsContact O-N 3.1Å |
| 144 | P | 31 | Very low | 26.8 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 117.2 | 172.9 | 25.2 | -30.3 | 0 | 0 | 0 | 108.9 | R146 | P144-R146 PolarHBondContact O-N 3.18Š|
| 145 | T | 30.4 | Very low | 26.6 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 120.1 | 168.7 | 35.5 | 0 | 0 | 0 | 0 | 110.6 | P143 S147 | P143-T145 PolarHBondContact O-N 3.42Å; P143-T145 VanDerWaalsContact O-N 3.1Å; T145-S147 PolarHBondContact O-N 3.47Å |
| 146 | R | 29.2 | Very low | 26.6 | Very low | 236 Ų | 236 | 139.8 Ų | 139.8 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 121.4 | 168.8 | -79.4 | 177.4 | 171.4 | -173.3 | -3.2 | 110.3 | P144 | P144-R146 PolarHBondContact O-N 3.18Š|
| 147 | S | 24.5 | Very low | 26.5 | Very low | 97 Ų | 97 | 134.9 Ų | 134.9 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | | | trans | 23.2 | 125.9 | 146.3 | 46.2 | 0 | 0 | 0 | 0 | 118.9 | T145 | T145-S147 PolarHBondContact O-N 3.47Š|
| 148 | P | 27.5 | Very low | 26.5 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | | | trans | -67.7 | 145.2 | 155.4 | 25 | -19.1 | 0 | 0 | 0 | 109.7 | | |
| 149 | P | 33.3 | Very low | 26.7 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | | | trans | -73.5 | 162.6 | 176.3 | 35.8 | -33.7 | 0 | 0 | 0 | 108.1 | | |
| 150 | L | 28.6 | Very low | 26.4 | Very low | 159 Ų | 159 | 131.1 Ų | 131.1 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | | | trans | 178.1 | 110.2 | 140.9 | -94.1 | 150.8 | 0 | 0 | 0 | 109.9 | | |
| 151 | N | 24.8 | Very low | 26.4 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | | | trans | 23.3 | 108.9 | 136.2 | -79.2 | -9.5 | 0 | 0 | 0 | 116.7 | | |
| 152 | D | 23.3 | Very low | 26.1 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | S | Bend | | 27.5 | 122.7 | 121.1 | -68.9 | -31.7 | 0 | 0 | 0 | 117.7 | | |
| 153 | S | 24.3 | Very low | 25.7 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | 92.1 | 75.7 | 146.2 | -44.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 154 | S | 21.7 | Very low | 25.6 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | | | trans | -165.6 | 92.2 | 143.5 | 38.9 | 0 | 0 | 0 | 0 | 112.7 | C156 | S154-C156 VanDerWaalsContact C-N 3.3Å; S154-C156 PolarHBondContact O-N 2.9Å |
| 155 | P | 25.2 | Very low | 25.2 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | | | trans | -91.3 | 66.9 | 168.9 | 35 | -29.3 | 0 | 0 | 0 | 109.8 | | |
| 156 | C | 24.2 | Very low | 24.9 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 91% | 0.905 | 79% | 0.793 | S | S | * | * | | | trans | -129.6 | 61.8 | 168.1 | -73.7 | 0 | 0 | 0 | 0 | 109.3 | S154 | S154-C156 VanDerWaalsContact C-N 3.3Å; S154-C156 PolarHBondContact O-N 2.9Å |
| 157 | G | 23.1 | Very low | 24.6 | Very low | 74 Ų | 74 | 127.2 Ų | 127.2 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | | | trans | -159.8 | 79.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 158 | S | 23.9 | Very low | 24.5 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | 177.4 | 99.7 | 158.3 | 159.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 159 | P | 25.8 | Very low | 24.2 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | | | trans | -86.8 | 121 | 156.2 | 32.5 | -22.7 | 0 | 0 | 0 | 109 | C161 | P159-C161 PolarHBondContact O-N 2.77Š|
| 160 | F | 24.3 | Very low | 23.8 | Very low | 198 Ų | 198 | 140.9 Ų | 140.9 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | | | trans | 31.7 | 86.3 | 141.1 | -66 | -91.6 | 0 | 0 | 0 | 117.1 | | |
| 161 | C | 22.4 | Very low | 23.5 | Very low | 123 Ų | 123 | 139 Ų | 139 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | | | trans | -109.3 | 121.2 | 138.2 | -80.7 | 0 | 0 | 0 | 0 | 106.9 | P159 | P159-C161 PolarHBondContact O-N 2.77Š|
| 162 | E | 23.6 | Very low | 23.4 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | | | trans | 72.8 | 99.4 | 171.1 | -63.1 | 179.5 | 148.8 | 0 | 0 | 116 | | |
| 163 | T | 21.4 | Very low | 23.3 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 66% | 0.663 | 81% | 0.809 | S | S | * | * | | | | 59.9 | 90.8 | 67.8 | -42.6 | 0 | 0 | 0 | 0 | 110 | | |
| 164 | F | 24.8 | Very low | 23.3 | Very low | 202 Ų | 202 | 141.5 Ų | 141.5 | 89% | 0.886 | 81% | 0.809 | S | S | * | * | | | trans | 57.8 | 118.2 | 164 | -51.5 | -84.9 | 0 | 0 | 0 | 117 | | |
| 165 | A | 23 | Very low | 23.5 | Very low | 91 Ų | 91 | 145.7 Ų | 145.7 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | S | Bend | cis | -144.1 | 114.7 | 35.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 166 | S | 24.4 | Very low | 23.4 | Very low | 119 Ų | 119 | 148.8 Ų | 148.8 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | | | trans | 67.4 | 77.3 | 143.4 | -47 | 0 | 0 | 0 | 0 | 118.6 | | |
| 167 | A | 23.5 | Very low | 23.2 | Very low | 98 Ų | 98 | 148 Ų | 148 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | trans | 69.3 | 88.8 | 143 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 168 | Y | 21.9 | Very low | 23.2 | Very low | 226 Ų | 226 | 154.7 Ų | 154.7 | 89% | 0.886 | 82% | 0.816 | S | S | * | * | | | trans | -49.8 | 140.8 | 153.5 | -72.5 | -94.9 | 0 | 0 | 0 | 112.1 | | |
| 169 | Y | 21.3 | Very low | 23 | Very low | 225 Ų | 225 | 153.9 Ų | 153.9 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | | | trans | -25.8 | 128.9 | 171.6 | -73.9 | -99.9 | 0 | 0 | 0 | 116.8 | | |
| 170 | L | 24.7 | Very low | 22.8 | Very low | 163 Ų | 163 | 155.1 Ų | 155.1 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | trans | -131.7 | 99 | 154.7 | -90.2 | 154.8 | 0 | 0 | 0 | 108.7 | | |
| 171 | C | 21.2 | Very low | 22.6 | Very low | 119 Ų | 119 | 150 Ų | 150 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | -65.7 | 131.9 | 149.8 | -83.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 172 | P | 23.6 | Very low | 22.5 | Very low | 113 Ų | 113 | 154.5 Ų | 154.5 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | | | | -142.7 | 124.3 | 111.4 | 29.2 | -11.1 | 0 | 0 | 0 | 112.7 | H174 | P172-H174 PolarHBondContact O-N 2.9Š|
| 173 | Q | 21.6 | Very low | 22.4 | Very low | 170 Ų | 170 | 152.5 Ų | 152.5 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | | | trans | -46.7 | 118.3 | 140.2 | -73.2 | 175.4 | -45.2 | 0 | 0 | 109.2 | | |
| 174 | H | 24.5 | Very low | 22.4 | Very low | 169 Ų | 169 | 153.8 Ų | 153.8 | 78% | 0.782 | 82% | 0.816 | S | S | * | * | | | | 171.4 | 77.2 | 119.4 | -80.8 | 144.6 | 0 | 0 | 0 | 108.1 | P172 K176 | P172-H174 PolarHBondContact O-N 2.9Å; H174-K176 VanDerWaalsContact C-N 3.29Å; H174-K176 PolarHBondContact O-N 3.1Å |
| 175 | E | 24.5 | Very low | 22.2 | Very low | 201 Ų | 201 | 153.6 Ų | 153.6 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | | | trans | -61.9 | 89.8 | 161.6 | -164.5 | 177.2 | -158.8 | 0 | 0 | 108.2 | | |
| 176 | K | 23.2 | Very low | 22.2 | Very low | 195 Ų | 195 | 153.3 Ų | 153.3 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | | | trans | -92.6 | 99.4 | 164.6 | -113.1 | -174.7 | -178.3 | -176 | 0 | 108.1 | H174 | H174-K176 VanDerWaalsContact C-N 3.29Å; H174-K176 PolarHBondContact O-N 3.1Å |
| 177 | V | 21.8 | Very low | 22.2 | Very low | 117 Ų | 117 | 152.9 Ų | 152.9 | 71% | 0.709 | 81% | 0.812 | S | S | * | * | | | trans | 1.2 | 116.3 | 152.5 | -174.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 178 | F | 23.1 | Very low | 22.2 | Very low | 214 Ų | 214 | 154.3 Ų | 154.3 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | | | trans | -132.8 | 115.9 | 139.2 | -94.5 | -81.7 | 0 | 0 | 0 | 109.9 | | |
| 179 | S | 18.7 | Very low | 22.2 | Very low | 95 Ų | 95 | 150.2 Ų | 150.2 | 66% | 0.664 | 81% | 0.809 | S | S | * | * | | | trans | -84.9 | 141.6 | 171.4 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 180 | T | 22.3 | Very low | 22.3 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | | | trans | -179.7 | 108.7 | 138 | 29.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 181 | A | 19.6 | Very low | 22.2 | Very low | 89 Ų | 89 | 146.7 Ų | 146.7 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | | | | 74.7 | 100.8 | 87.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 182 | R | 20.2 | Very low | 22.2 | Very low | 219 Ų | 219 | 145.2 Ų | 145.2 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | | | trans | 55.1 | 111.7 | 145.9 | -60.7 | -159.2 | 178.5 | 168.5 | 0.7 | 120.3 | | |
| 183 | C | 21.5 | Very low | 22.1 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 91% | 0.905 | 82% | 0.818 | S | S | * | * | | | trans | -103.9 | 112.8 | 138.7 | -73.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 184 | N | 21 | Very low | 22.1 | Very low | 135 Ų | 135 | 144.6 Ų | 144.6 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | | | trans | -73.4 | 121.6 | 167.3 | -80.1 | -20 | 0 | 0 | 0 | 108.5 | | |
| 185 | E | 21.7 | Very low | 22.2 | Very low | 198 Ų | 198 | 144.3 Ų | 144.3 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | | | trans | -106.2 | 106.7 | 158 | -74.6 | -173.7 | 165.6 | 0 | 0 | 107.6 | | |
| 186 | A | 21.7 | Very low | 22 | Very low | 85 Ų | 85 | 143.9 Ų | 143.9 | 70% | 0.702 | 82% | 0.824 | S | S | * | * | | | trans | -124.3 | 127.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 187 | S | 24.6 | Very low | 22.1 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | | | trans | 71.3 | 104.9 | 144.8 | 51.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 188 | T | 24.1 | Very low | 22.3 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | | | trans | -27.4 | 123.6 | 134.4 | 44.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 189 | V | 22.5 | Very low | 22.2 | Very low | 140 Ų | 140 | 135.5 Ų | 135.5 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | | | | 52.3 | 98.3 | 88.1 | -172.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 190 | S | 22.6 | Very low | 22.5 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | | | trans | -132.5 | 141.4 | 158.4 | -140.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 191 | Q | 22 | Very low | 22.5 | Very low | 192 Ų | 192 | 143.4 Ų | 143.4 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | | | trans | -73.1 | 151.9 | -171.1 | -66.7 | 165.7 | -29.3 | 0 | 0 | 112.6 | | |
| 192 | G | 22 | Very low | 22.8 | Very low | 87 Ų | 87 | 143.7 Ų | 143.7 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | | | trans | 106.1 | 90.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 193 | G | 21.2 | Very low | 23 | Very low | 77 Ų | 77 | 142.6 Ų | 142.6 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | | | trans | 169.5 | 114.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 194 | E | 20.8 | Very low | 23.3 | Very low | 193 Ų | 193 | 143.2 Ų | 143.2 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | | | trans | -53.2 | 135.7 | -179 | -64.2 | 174 | 129 | 0 | 0 | 112 | | |
| 195 | L | 26.5 | Very low | 23.5 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 86% | 0.859 | 83% | 0.833 | S | S | * | * | | | trans | 10.1 | 111.5 | 154.1 | -62.1 | 158 | 0 | 0 | 0 | 116.4 | | |
| 196 | E | 21.7 | Very low | 23.7 | Very low | 191 Ų | 191 | 136.7 Ų | 136.7 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | | | | 178.8 | 142.2 | 107.3 | -93.8 | -175.8 | 145 | 0 | 0 | 111.1 | S198 | E196-S198 PolarHBondContact O-N 3.04Š|
| 197 | S | 24.9 | Very low | 23.7 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 84% | 0.839 | 84% | 0.838 | S | S | * | * | | | trans | -65.2 | 123.8 | 179.7 | -173.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 198 | S | 24.9 | Very low | 23.9 | Very low | 101 Ų | 101 | 139.1 Ų | 139.1 | 71% | 0.706 | 84% | 0.839 | S | S | * | * | | | trans | -167.6 | 118.4 | 138.6 | 29.5 | 0 | 0 | 0 | 0 | 112.3 | E196 Y200 | E196-S198 PolarHBondContact O-N 3.04Å; S198-Y200 PolarHBondContact O-N 3.02Å |
| 199 | V | 22.1 | Very low | 24.3 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 78% | 0.782 | 84% | 0.838 | S | S | * | * | | | trans | -55.4 | 121.3 | 162.6 | 172.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 200 | Y | 24.4 | Very low | 24.4 | Very low | 215 Ų | 215 | 137.9 Ų | 137.9 | 84% | 0.843 | 84% | 0.839 | S | S | * | * | | | trans | -142.6 | 148.5 | 150.4 | -84.9 | -74.9 | 0 | 0 | 0 | 111.8 | S198 | S198-Y200 PolarHBondContact O-N 3.02Š|
| 201 | Q | 21.8 | Very low | 24.7 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 86% | 0.855 | 84% | 0.843 | S | S | * | * | | | trans | -71.7 | 162.7 | -152.9 | -72.1 | 170.8 | -21.9 | 0 | 0 | 117 | | |
| 202 | A | 26.3 | Very low | 24.8 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | | | trans | -59.4 | 138.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 203 | E | 25.1 | Very low | 24.9 | Very low | 195 Ų | 195 | 137.2 Ų | 137.2 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | | | trans | -124.6 | 109.9 | 149 | -76.9 | -161 | 134.1 | 0 | 0 | 109.7 | | |
| 204 | T | 27.4 | Very low | 25.1 | Very low | 148 Ų | 148 | 138.9 Ų | 138.9 | 91% | 0.908 | 83% | 0.83 | S | S | * | * | | | trans | -55.7 | 136.4 | 157 | 25.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 205 | G | 24.3 | Very low | 25 | Very low | 71 Ų | 71 | 134.5 Ų | 134.5 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | | | trans | 154.1 | 93.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 206 | S | 27.3 | Very low | 25 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | | | trans | 177.6 | 122.6 | 135 | 24.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 207 | S | 20.8 | Very low | 25.2 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | | | trans | -83.3 | 148.4 | 178.5 | -48 | 0 | 0 | 0 | 0 | 112.8 | | |
| 208 | P | 29.5 | Very low | 24.9 | Very low | 120 Ų | 120 | 133 Ų | 133 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | | | trans | -131.7 | 172 | 156.5 | 43.3 | -29.7 | 0 | 0 | 0 | 112.3 | | |
| 209 | P | 32.9 | Very low | 24.9 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | | | | -116.9 | 164.5 | -91.8 | 29.7 | -10.7 | 0 | 0 | 0 | 114.3 | L211 | P209-L211 PolarHBondContact O-N 3.24Š|
| 210 | S | 23.1 | Very low | 25.2 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 118.3 | 175.1 | -50.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 211 | L | 30.3 | Very low | 25.2 | Very low | 178 Ų | 178 | 128.1 Ų | 128.1 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 121.7 | 164.3 | -86.9 | 143.2 | 0 | 0 | 0 | 108.9 | P209 | P209-L211 PolarHBondContact O-N 3.24Š|
| 212 | G | 23.2 | Very low | 25.3 | Very low | 63 Ų | 63 | 126.9 Ų | 126.9 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 149.4 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S214 | G212-S214 PolarHBondContact O-N 3.3Š|
| 213 | T | 23.7 | Very low | 25.2 | Very low | 147 Ų | 147 | 126.1 Ų | 126.1 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | | | trans | -49.2 | 110.6 | 159.7 | 44.4 | 0 | 0 | 0 | 0 | 111 | | |
| 214 | S | 25.6 | Very low | 25.1 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | -115.8 | 98.7 | 155.4 | 28.7 | 0 | 0 | 0 | 0 | 107.2 | G212 | G212-S214 PolarHBondContact O-N 3.3Š|
| 215 | S | 20.1 | Very low | 24.9 | Very low | 101 Ų | 101 | 124.3 Ų | 124.3 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | trans | -59.9 | 124.7 | 164.9 | 16.5 | 0 | 0 | 0 | 0 | 108.8 | V217 | S215-V217 PolarHBondContact O-N 2.75Š|
| 216 | P | 25.5 | Very low | 24.8 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -70 | 112.9 | 158.6 | 27.8 | -26.2 | 0 | 0 | 0 | 107 | | |
| 217 | V | 25.9 | Very low | 24.6 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | | | trans | -43.7 | 132.2 | 167.7 | 164.9 | 0 | 0 | 0 | 0 | 110.7 | S215 N219 | S215-V217 PolarHBondContact O-N 2.75Å; V217-N219 PolarHBondContact O-N 2.71Å |
| 218 | E | 19.9 | Very low | 24.7 | Very low | 189 Ų | 189 | 122.2 Ų | 122.2 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | trans | -52.1 | 124.7 | 163.9 | -81.2 | 173.9 | 111.4 | 0 | 0 | 110.4 | | |
| 219 | N | 24.2 | Very low | 24.4 | Very low | 142 Ų | 142 | 124.1 Ų | 124.1 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | -137.8 | 117.3 | 150.9 | -151.8 | -14.3 | 0 | 0 | 0 | 108.3 | V217 | V217-N219 PolarHBondContact O-N 2.71Š|
| 220 | P | 28.9 | Very low | 23.9 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | | | trans | -92.4 | 107.4 | -174.7 | 33.7 | -27.6 | 0 | 0 | 0 | 109.7 | | |
| 221 | S | 23.1 | Very low | 23.9 | Very low | 84 Ų | 84 | 124.3 Ų | 124.3 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | | | trans | -169.9 | 113.3 | 160.3 | 38.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 222 | N | 24.8 | Very low | 23.4 | Very low | 157 Ų | 157 | 123.8 Ų | 123.8 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | | | trans | 79.7 | 106.3 | 140 | -43.1 | -7.9 | 0 | 0 | 0 | 115.5 | E224 | N222-E224 PolarHBondContact O-N 2.85Š|
| 223 | G | 23 | Very low | 23.5 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | | | trans | -63.1 | 124.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 224 | E | 23.8 | Very low | 23.5 | Very low | 175 Ų | 175 | 128.9 Ų | 128.9 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -136.5 | 96.6 | 149.9 | -72.9 | -174.6 | 145.9 | 0 | 0 | 106.3 | N222 S226 | N222-E224 PolarHBondContact O-N 2.85Å; E224-S226 PolarHBondContact O-N 3.28Å |
| 225 | C | 22.5 | Very low | 23.3 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 89% | 0.885 | 77% | 0.768 | S | S | * | * | | | trans | -64.9 | 78.9 | 160.3 | -71.8 | 0 | 0 | 0 | 0 | 107.6 | C227 | C225-C227 VanDerWaalsContact C-N 3.3Å; C225-C227 PolarHBondContact O-N 3.41Å |
| 226 | S | 23.6 | Very low | 23.4 | Very low | 102 Ų | 102 | 128 Ų | 128 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -75.2 | 90.3 | 167.7 | -85.2 | 0 | 0 | 0 | 0 | 107.9 | E224 G228 | E224-S226 PolarHBondContact O-N 3.28Å; S226-G228 PolarHBondContact O-N 2.98Å |
| 227 | C | 21.3 | Very low | 23.3 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | | | trans | -66.2 | 69.8 | 153.9 | -67 | 0 | 0 | 0 | 0 | 107.8 | C225 I229 | C225-C227 VanDerWaalsContact C-N 3.3Å; C225-C227 PolarHBondContact O-N 3.41Å; C227-I229 PolarHBondContact O-N 3.02Å |
| 228 | G | 24 | Very low | 23.1 | Very low | 58 Ų | 58 | 127.2 Ų | 127.2 | 60% | 0.598 | 77% | 0.767 | S | S | * | * | | | trans | -73.9 | 104.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | S226 L230 | S226-G228 PolarHBondContact O-N 2.98Å; G228-L230 PolarHBondContact O-N 3.36Å |
| 229 | I | 22.5 | Very low | 23.7 | Very low | 160 Ų | 160 | 123 Ų | 123 | 82% | 0.821 | 76% | 0.756 | S | S | * | * | | | trans | -46.5 | 103 | 163.9 | -61.7 | 165.1 | 0 | 0 | 0 | 107.6 | C227 P231 | C227-I229 PolarHBondContact O-N 3.02Å; I229-P231 WeakPolarHBondContact O-CD 3.2Å |
| 230 | L | 22.3 | Very low | 23.6 | Very low | 153 Ų | 153 | 123.1 Ų | 123.1 | 80% | 0.801 | 76% | 0.756 | S | S | * | * | | | trans | -65.3 | 116.8 | 174.3 | -84.7 | 162.9 | 0 | 0 | 0 | 108 | G228 L232 | G228-L230 PolarHBondContact O-N 3.36Å; L230-L232 PolarHBondContact O-N 2.9Å |
| 231 | P | 22.7 | Very low | 23.2 | Very low | 94 Ų | 94 | 125.7 Ų | 125.7 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | | | trans | -64.3 | 122.9 | 176.8 | -15 | 29.2 | 0 | 0 | 0 | 108.8 | I229 Y233 | I229-P231 WeakPolarHBondContact O-CD 3.2Å; P231-Y233 VanDerWaalsContact C-N 3.27Å; P231-Y233 HydrophobicContact CB-CD2 3.96Å; P231-Y233 HydrophobicContact CB-CE2 4.14Å; P231-Y233 PolarHBondContact O-N 3.35Å |
| 232 | L | 21.4 | Very low | 23.3 | Very low | 167 Ų | 167 | 130.2 Ų | 130.2 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | | | trans | -65.9 | 89.5 | 164.1 | -73.7 | 159.3 | 0 | 0 | 0 | 107.8 | L230 | L230-L232 PolarHBondContact O-N 2.9Š|
| 233 | Y | 24.8 | Very low | 23.3 | Very low | 217 Ų | 217 | 129 Ų | 129 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | | | trans | -90.8 | 111.2 | 158.4 | -87.1 | -78.6 | 0 | 0 | 0 | 109.4 | P231 | P231-Y233 VanDerWaalsContact C-N 3.27Å; P231-Y233 HydrophobicContact CB-CD2 3.96Å; P231-Y233 HydrophobicContact CB-CE2 4.14Å; P231-Y233 PolarHBondContact O-N 3.35Å |
| 234 | S | 23.2 | Very low | 23.3 | Very low | 99 Ų | 99 | 132.5 Ų | 132.5 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | trans | -35.8 | 135.2 | 163.2 | -166.3 | 0 | 0 | 0 | 0 | 113 | | |
| 235 | S | 21 | Very low | 23.2 | Very low | 105 Ų | 105 | 131.3 Ų | 131.3 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | trans | 48.4 | 130.4 | 138 | -39.3 | 0 | 0 | 0 | 0 | 119.7 | | |
| 236 | A | 23.3 | Very low | 23.3 | Very low | 89 Ų | 89 | 128.2 Ų | 128.2 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | | | trans | 103.3 | 113.7 | 149.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 237 | V | 23 | Very low | 23.3 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | | | trans | 71.2 | 97.9 | 133.8 | -176.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 238 | S | 21.3 | Very low | 23.4 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | | 52.1 | 150.8 | 110.6 | -54.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 239 | P | 33.2 | Very low | 23.3 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | | | trans | -111.8 | 176.6 | -137.5 | 30.1 | -13.4 | 0 | 0 | 0 | 113.7 | | |
| 240 | N | 20.9 | Very low | 23.4 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | | | trans | 99.8 | 143.4 | 153.9 | -65.3 | -57.1 | 0 | 0 | 0 | 118.4 | | |
| 241 | Q | 22.3 | Very low | 23.5 | Very low | 170 Ų | 170 | 124.9 Ų | 124.9 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | 83.1 | 99.3 | 160.2 | -73.2 | 168.9 | -17.7 | 0 | 0 | 115.5 | | |
| 242 | E | 23.6 | Very low | 23.6 | Very low | 179 Ų | 179 | 124.5 Ų | 124.5 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | | | | 46.1 | 94.8 | 89.3 | -84.7 | -173.8 | 132.2 | 0 | 0 | 111.1 | | |
| 243 | V | 25.1 | Very low | 23.8 | Very low | 132 Ų | 132 | 125.2 Ų | 125.2 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | | | trans | -152.5 | 112.3 | 137.6 | -165.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 244 | N | 23.7 | Very low | 23.8 | Very low | 152 Ų | 152 | 123 Ų | 123 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | -64.7 | 117.5 | 150.7 | 179.7 | 34.6 | 0 | 0 | 0 | 108.4 | | |
| 245 | D | 22.2 | Very low | 23.9 | Very low | 150 Ų | 150 | 129.1 Ų | 129.1 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | | | trans | -167.9 | 140.3 | 148.5 | -100.8 | -29.7 | 0 | 0 | 0 | 111.6 | | |
| 246 | G | 23.2 | Very low | 24.1 | Very low | 66 Ų | 66 | 129.1 Ų | 129.1 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | | | trans | -82.5 | -176.7 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 247 | S | 23.5 | Very low | 24.1 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | 88.5 | 119.6 | 156.8 | -52.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 248 | A | 24.6 | Very low | 24.2 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | | | trans | 80.5 | 87.3 | 144.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 249 | G | 21.9 | Very low | 24.4 | Very low | 71 Ų | 71 | 130.4 Ų | 130.4 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | | | | 84.3 | 109.1 | 113.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 250 | S | 23.9 | Very low | 24 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | | | trans | -177.3 | 118.3 | 137.8 | -76.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 251 | A | 26 | Very low | 24.1 | Very low | 96 Ų | 96 | 137.1 Ų | 137.1 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | | | trans | 51.1 | 80.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | Q253 | A251-Q253 VanDerWaalsContact C-N 3.32Å; A251-Q253 PolarHBondContact O-N 3.38Å |
| 252 | A | 24.2 | Very low | 24.2 | Very low | 86 Ų | 86 | 134.3 Ų | 134.3 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | -66.1 | 91.2 | 148.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 253 | Q | 24.9 | Very low | 24.3 | Very low | 182 Ų | 182 | 131 Ų | 131 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | | | trans | -106.3 | 87.3 | 150.4 | -76.4 | -158.1 | -16.2 | 0 | 0 | 107.4 | A251 Y255 | A251-Q253 VanDerWaalsContact C-N 3.32Å; A251-Q253 PolarHBondContact O-N 3.38Å; Q253-Y255 PolarHBondContact O-N 3.39Å |
| 254 | H | 25.2 | Very low | 24.4 | Very low | 171 Ų | 171 | 129.6 Ų | 129.6 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | | | trans | -49.5 | 106.3 | 163.9 | -76.5 | -94.2 | 0 | 0 | 0 | 108.4 | S256 | H254-S256 PolarHBondContact O-N 3.34Š|
| 255 | Y | 26.2 | Very low | 24.5 | Very low | 228 Ų | 228 | 127.1 Ų | 127.1 | 89% | 0.894 | 77% | 0.774 | S | S | * | * | | | trans | -55.7 | 113.3 | 158.5 | -106.3 | -96 | 0 | 0 | 0 | 106.9 | Q253 Q257 | Q253-Y255 PolarHBondContact O-N 3.39Å; Y255-Q257 PolarHBondContact O-N 3.41Å |
| 256 | S | 24.2 | Very low | 24.9 | Very low | 105 Ų | 105 | 124.7 Ų | 124.7 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | -54.6 | 118.6 | -178.9 | 45.6 | 0 | 0 | 0 | 0 | 110.6 | H254 A258 | H254-S256 PolarHBondContact O-N 3.34Å; S256-A258 VanDerWaalsContact C-N 3.35Å; S256-A258 PolarHBondContact O-N 3.14Å |
| 257 | Q | 23.6 | Very low | 25.3 | Very low | 183 Ų | 183 | 131.2 Ų | 131.2 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | | | trans | -54.4 | 100.6 | 156.8 | -73.6 | 175.4 | -22.5 | 0 | 0 | 107.9 | Y255 S259 | Y255-Q257 PolarHBondContact O-N 3.41Å; Q257-S259 PolarHBondContact O-N 3.28Å |
| 258 | A | 24 | Very low | 25.6 | Very low | 87 Ų | 87 | 129.7 Ų | 129.7 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | | | trans | -72.9 | 81.6 | 154.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | S256 R260 | S256-A258 VanDerWaalsContact C-N 3.35Å; S256-A258 PolarHBondContact O-N 3.14Å; A258-R260 PolarHBondContact O-N 3Å |
| 259 | S | 25.8 | Very low | 25.9 | Very low | 84 Ų | 84 | 132.5 Ų | 132.5 | 59% | 0.587 | 76% | 0.758 | S | S | * | * | | | trans | -57.3 | 82.5 | 157.9 | 54.8 | 0 | 0 | 0 | 0 | 107.4 | Q257 Q261 | Q257-S259 PolarHBondContact O-N 3.28Å; S259-Q261 PolarHBondContact O-N 2.94Å |
| 260 | R | 25 | Very low | 26.1 | Very low | 229 Ų | 229 | 139.5 Ų | 139.5 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | | | trans | -72.5 | 83.7 | 157.1 | -71.5 | -150.8 | 177.6 | -119 | 1.4 | 105.4 | A258 C262 | A258-R260 PolarHBondContact O-N 3Å; R260-C262 VanDerWaalsContact C-N 3.33Å; R260-C262 PolarHBondContact O-N 3.21Å |
| 261 | Q | 23.1 | Very low | 26.4 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | | | trans | -36.2 | 101.3 | 157.8 | -123.7 | 90.6 | 6.3 | 0 | 0 | 107 | S259 P263 | S259-Q261 PolarHBondContact O-N 2.94Å; Q261-P263 WeakPolarHBondContact O-CD 3.34Å |
| 262 | C | 23.7 | Very low | 26.5 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 75% | 0.75 | 75% | 0.748 | S | S | * | * | | | trans | -58.7 | 126.2 | 153.7 | -69 | 0 | 0 | 0 | 0 | 104.5 | R260 A264 | R260-C262 VanDerWaalsContact C-N 3.33Å; R260-C262 PolarHBondContact O-N 3.21Å; C262-A264 PolarHBondContact O-N 3.01Å |
| 263 | P | 25.7 | Very low | 26.8 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | trans | -54.3 | 114.2 | 175.9 | -16.8 | 25.8 | 0 | 0 | 0 | 107.4 | Q261 T265 | Q261-P263 WeakPolarHBondContact O-CD 3.34Å; P263-T265 PolarHBondContact O-N 3.07Å |
| 264 | A | 27.8 | Very low | 27.1 | Very low | 104 Ų | 104 | 143 Ų | 143 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | | | trans | -73.6 | 43.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | C262 | C262-A264 PolarHBondContact O-N 3.01Š|
| 265 | T | 26.7 | Very low | 27.3 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 61% | 0.613 | 74% | 0.743 | S | S | * | * | | | trans | -103.4 | 111.9 | 166.1 | 48.3 | 0 | 0 | 0 | 0 | 105.9 | P263 F267 | P263-T265 PolarHBondContact O-N 3.07Å; T265-F267 PolarHBondContact O-N 2.93Å |
| 266 | P | 30 | Very low | 27.4 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 64% | 0.643 | 74% | 0.739 | S | S | * | * | | | trans | -52.6 | 136.4 | 173.8 | 22.9 | -31.7 | 0 | 0 | 0 | 108 | T268 | P266-T268 PolarHBondContact O-N 2.72Å; P266-T268 PolarHBondContact O-OG1 3.04Å |
| 267 | F | 31.2 | Very low | 27.6 | Very low | 202 Ų | 202 | 135.7 Ų | 135.7 | 89% | 0.886 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -65 | 70.3 | 167.7 | -88.2 | -95.4 | 0 | 0 | 0 | 109 | T265 Q269 | T265-F267 PolarHBondContact O-N 2.93Å; F267-Q269 VanDerWaalsContact C-N 3.32Å |
| 268 | T | 30.2 | Very low | 28 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 57% | 0.571 | 74% | 0.736 | S | S | * | * | | | trans | -85.9 | -8.1 | 162 | 36.8 | 0 | 0 | 0 | 0 | 111.3 | P266 Y270 R271 | P266-T268 PolarHBondContact O-N 2.72Å; P266-T268 PolarHBondContact O-OG1 3.04Å; T268-Y270 VanDerWaalsContact C-N 3.34Å; T268-Y270 PolarHBondContact O-N 2.96Å; T268-R271 PolarHBondContact O-N 2.98Å |
| 269 | Q | 30.2 | Very low | 28.1 | Very low | 162 Ų | 162 | 134.5 Ų | 134.5 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -6.1 | -172.9 | -83.4 | -177.3 | -20.7 | 0 | 0 | 116.6 | F267 R271 | F267-Q269 VanDerWaalsContact C-N 3.32Å; Q269-R271 VanDerWaalsContact C-N 3.35Å |
| 270 | Y | 27.7 | Very low | 28 | Very low | 218 Ų | 218 | 135.5 Ų | 135.5 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 14.3 | 170.8 | -116.5 | -84.5 | 0 | 0 | 0 | 114.2 | T268 | T268-Y270 VanDerWaalsContact C-N 3.34Å; T268-Y270 PolarHBondContact O-N 2.96Å |
| 271 | R | 28.3 | Very low | 28.5 | Very low | 215 Ų | 215 | 129.9 Ų | 129.9 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -104.1 | -9.5 | 170 | -142 | -176 | 172.6 | 154 | 1 | 114.3 | T268 Q269 S273 | T268-R271 PolarHBondContact O-N 2.98Å; Q269-R271 VanDerWaalsContact C-N 3.35Å; R271-S273 PolarHBondContact O-N 3.32Å |
| 272 | D | 29.6 | Very low | 28.6 | Very low | 95 Ų | 95 | 127.3 Ų | 127.3 | 51% | 0.508 | 75% | 0.745 | S | S | . | * | G | 310 helix | trans | -89.8 | 2.3 | -173.4 | -69.2 | -21.7 | 0 | 0 | 0 | 115.4 | V274 H275 | D272-V274 VanDerWaalsContact C-N 3.29Å; D272-V274 PolarHBondContact O-N 3.42Å; D272-H275 PolarHBondContact O-ND1 3.48Å; D272-H275 IonicContact OD1-CE1 3.17Å; D272-H275 PolarHBondContact OD1-CE1 3.37Å; D272-H275 IonicContact OD1-ND1 3.63Å |
| 273 | S | 29 | Very low | 28.7 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -89.1 | 12.9 | 171.5 | -63.3 | 0 | 0 | 0 | 0 | 114.5 | R271 | R271-S273 PolarHBondContact O-N 3.32Š|
| 274 | V | 32.1 | Very low | 28.6 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -127.8 | 47.5 | 163.9 | -132.1 | 0 | 0 | 0 | 0 | 110.5 | D272 | D272-V274 VanDerWaalsContact C-N 3.29Å; D272-V274 PolarHBondContact O-N 3.42Å |
| 275 | H | 29.6 | Very low | 28.4 | Very low | 134 Ų | 134 | 132 Ų | 132 | 62% | 0.62 | 75% | 0.75 | S | S | * | * | | | trans | -77.6 | 125.9 | 158.3 | -87.1 | 80.9 | 0 | 0 | 0 | 109.8 | D272 | D272-H275 PolarHBondContact O-ND1 3.48Å; D272-H275 IonicContact OD1-CE1 3.17Å; D272-H275 PolarHBondContact OD1-CE1 3.37Å; D272-H275 IonicContact OD1-ND1 3.63Å |
| 276 | S | 28.2 | Very low | 28.2 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | 70.2 | 102.9 | 145.4 | 44.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 277 | A | 27.7 | Very low | 28 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | | | | -152.4 | 147.1 | 127.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 278 | P | 31.6 | Very low | 27.7 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | | | | -109.9 | 150.5 | -124.6 | 37.4 | -31.7 | 0 | 0 | 0 | 114.2 | | |
| 279 | C | 26.9 | Very low | 27.4 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 91% | 0.912 | 77% | 0.765 | S | S | * | * | | | trans | -121.9 | 111.2 | 149.5 | -74.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 280 | S | 24.6 | Very low | 27.3 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | trans | -74.7 | -179.2 | 171.6 | -44.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 281 | P | 34.9 | Very low | 27.2 | Very low | 111 Ų | 111 | 129 Ų | 129 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | | | | -94.3 | 158.3 | -121 | 37.1 | -22.2 | 0 | 0 | 0 | 115.2 | | |
| 282 | S | 25.1 | Very low | 27.1 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | 32.8 | 92.7 | 137.6 | -50 | 0 | 0 | 0 | 0 | 118.3 | S284 | S282-S284 PolarHBondContact O-N 3.43Š|
| 283 | E | 25.1 | Very low | 26.9 | Very low | 189 Ų | 189 | 124.5 Ų | 124.5 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | | | trans | -88.7 | 86.8 | 146.2 | -75.2 | -167.1 | 141.5 | 0 | 0 | 109.2 | V285 | E283-V285 PolarHBondContact O-N 2.85Š|
| 284 | S | 23.4 | Very low | 26.8 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | -79.4 | 86.3 | 158.4 | -44.6 | 0 | 0 | 0 | 0 | 107.8 | S282 | S282-S284 PolarHBondContact O-N 3.43Š|
| 285 | V | 25.1 | Very low | 26.4 | Very low | 124 Ų | 124 | 122.6 Ų | 122.6 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | -143 | 128.1 | 167.4 | -179.5 | 0 | 0 | 0 | 0 | 106.4 | E283 | E283-V285 PolarHBondContact O-N 2.85Š|
| 286 | S | 22 | Very low | 26.5 | Very low | 87 Ų | 87 | 122.5 Ų | 122.5 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | | | cis | -162.4 | 143.1 | -21 | 64.2 | 0 | 0 | 0 | 0 | 104.9 | | |
| 287 | T | 26.2 | Very low | 26.6 | Very low | 113 Ų | 113 | 122.8 Ų | 122.8 | 69% | 0.693 | 78% | 0.776 | S | S | * | * | | | trans | 47.2 | 106.1 | 140 | 62.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 288 | N | 24.8 | Very low | 27 | Very low | 155 Ų | 155 | 123.5 Ų | 123.5 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | | | | 179.4 | 151.3 | 96.2 | -101.6 | -34.6 | 0 | 0 | 0 | 111.5 | | |
| 289 | E | 24.5 | Very low | 27.1 | Very low | 194 Ų | 194 | 125 Ų | 125 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | | | trans | -60.8 | 135.4 | -167.7 | -51.5 | -170.5 | 126.5 | 0 | 0 | 113.4 | | |
| 290 | G | 27.7 | Very low | 27.4 | Very low | 76 Ų | 76 | 124.1 Ų | 124.1 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | | | trans | -160.3 | 97.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | S292 | G290-S292 PolarHBondContact O-N 3.2Š|
| 291 | Q | 25.5 | Very low | 27.6 | Very low | 185 Ų | 185 | 127.4 Ų | 127.4 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | | | trans | -46.5 | 130.8 | -174.5 | -69.7 | 155.7 | -31 | 0 | 0 | 114 | | |
| 292 | S | 26 | Very low | 27.5 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | trans | 47.2 | 117.1 | 130.3 | -52.1 | 0 | 0 | 0 | 0 | 119.8 | G290 | G290-S292 PolarHBondContact O-N 3.2Š|
| 293 | S | 25.2 | Very low | 27.9 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | | 99.6 | 120.6 | 126.7 | 70.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 294 | S | 25.8 | Very low | 28.5 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | | | trans | 73.1 | 92.2 | 148 | 59.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 295 | S | 25.1 | Very low | 28.9 | Very low | 99 Ų | 99 | 123 Ų | 123 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | | | | 146.9 | 100.9 | 104.7 | -164.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 296 | P | 31.9 | Very low | 29.2 | Very low | 132 Ų | 132 | 120.8 Ų | 120.8 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | | | trans | -104.6 | 103.1 | 157 | 17.6 | 0.9 | 0 | 0 | 0 | 109.4 | | |
| 297 | V | 30.1 | Very low | 29.7 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | | | trans | -76.1 | 145.9 | 167.7 | 175.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 298 | P | 36.3 | Very low | 30 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | | | trans | -92.9 | 137.1 | -154.4 | 34.6 | -31.1 | 0 | 0 | 0 | 113.6 | N300 | P298-N300 PolarHBondContact O-N 3.1Š|
| 299 | V | 34.1 | Very low | 30.4 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | | | trans | -92.2 | 91.5 | 169.1 | -88.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 300 | N | 31.8 | Very low | 31 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 63% | 0.626 | 73% | 0.732 | S | S | * | * | | | trans | -98 | 85.4 | 164.8 | -175.4 | 4.8 | 0 | 0 | 0 | 108.7 | P298 S302 | P298-N300 PolarHBondContact O-N 3.1Å; N300-S302 PolarHBondContact OD1-OG 3.3Å |
| 301 | M | 29 | Very low | 31.7 | Very low | 174 Ų | 174 | 124 Ų | 124 | 86% | 0.857 | 73% | 0.728 | S | S | * | * | | | trans | -95.2 | 95 | 165.8 | -74.9 | -173.9 | 175.5 | 0 | 0 | 108 | | |
| 302 | S | 33.1 | Very low | 32.4 | Very low | 92 Ų | 92 | 118.8 Ų | 118.8 | 64% | 0.643 | 71% | 0.712 | S | S | * | * | | | trans | -74.2 | 122.7 | 166.7 | -67.7 | 0 | 0 | 0 | 0 | 108.8 | N300 S304 | N300-S302 PolarHBondContact OD1-OG 3.3Å; S302-S304 PolarHBondContact O-N 3.31Å |
| 303 | P | 34.4 | Very low | 33.1 | Very low | 120 Ų | 120 | 119.4 Ų | 119.4 | 78% | 0.779 | 70% | 0.703 | S | S | * | * | | | trans | -72 | 125.6 | -177.6 | 26.3 | -31.4 | 0 | 0 | 0 | 111.1 | S305 | P303-S305 PolarHBondContact O-N 3.14Š|
| 304 | S | 36.8 | Very low | 34.1 | Very low | 113 Ų | 113 | 118.6 Ų | 118.6 | 79% | 0.79 | 69% | 0.69 | S | S | * | * | | | trans | -59.8 | 102.4 | 172.6 | -50.1 | 0 | 0 | 0 | 0 | 110.3 | S302 S306 | S302-S304 PolarHBondContact O-N 3.31Å; S304-S306 PolarHBondContact O-N 2.97Å |
| 305 | S | 30.9 | Very low | 34.8 | Very low | 96 Ų | 96 | 121 Ų | 121 | 67% | 0.671 | 69% | 0.688 | S | S | * | * | | | trans | -79.7 | 64.8 | -179.6 | 37.2 | 0 | 0 | 0 | 0 | 111.9 | P303 Y307 | P303-S305 PolarHBondContact O-N 3.14Å; S305-Y307 PolarHBondContact O-N 2.98Å |
| 306 | S | 32.5 | Very low | 35.5 | Very low | 78 Ų | 78 | 123.8 Ų | 123.8 | 55% | 0.545 | 70% | 0.696 | S | S | . | * | | | trans | -81.6 | 94.2 | 163.5 | 22.1 | 0 | 0 | 0 | 0 | 109.1 | S304 Y308 | S304-S306 PolarHBondContact O-N 2.97Å; S306-Y308 PolarHBondContact O-N 2.87Å |
| 307 | Y | 31.2 | Very low | 35.7 | Very low | 188 Ų | 188 | 124.6 Ų | 124.6 | 74% | 0.737 | 69% | 0.686 | S | S | * | * | | | trans | -74.8 | 107.4 | 171.8 | -74.1 | -90 | 0 | 0 | 0 | 109.3 | S305 | S305-Y307 PolarHBondContact O-N 2.98Š|
| 308 | Y | 34.3 | Very low | 35.7 | Very low | 199 Ų | 199 | 125.6 Ų | 125.6 | 78% | 0.78 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -83 | 119.6 | 167 | -67.7 | -86.8 | 0 | 0 | 0 | 108.6 | S306 L310 | S306-Y308 PolarHBondContact O-N 2.87Å; Y308-L310 PolarHBondContact O-N 2.95Å |
| 309 | V | 31.9 | Very low | 35.7 | Very low | 93 Ų | 93 | 126.4 Ų | 126.4 | 56% | 0.564 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 119.2 | 170.6 | 174.7 | 0 | 0 | 0 | 0 | 107.3 | Q313 L314 | V309-Q313 HydrophobicContact CG1-CB 3.94Å; V309-Q313 VanDerWaalsContact CG1-OE1 3.27Å; V309-L314 HydrophobicContact CG1-CD2 4.33Å; V309-L314 HydrophobicContact CG1-CG 4.33Å |
| 310 | L | 37.2 | Very low | 35.3 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 56% | 0.56 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 142.7 | 179.6 | -70.1 | 168 | 0 | 0 | 0 | 109.6 | Y308 S312 Q313 | Y308-L310 PolarHBondContact O-N 2.95Å; L310-S312 PolarHBondContact O-N 3.43Å; L310-Q313 WeakPolarHBondContact O-CB 3.44Å; L310-Q313 PolarHBondContact O-N 3.48Å |
| 311 | P | 42.9 | Very low | 35.1 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 69% | 0.688 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -52.3 | -28.3 | 177.4 | -28.1 | 34.3 | 0 | 0 | 0 | 114.5 | Q313 L314 | P311-Q313 PolarHBondContact O-N 2.77Å; P311-L314 WeakPolarHBondContact O-CB 3.3Å; P311-L314 PolarHBondContact O-N 2.89Å |
| 312 | S | 39.2 | Very low | 35.1 | Very low | 76 Ų | 76 | 123.7 Ų | 123.7 | 53% | 0.531 | 67% | 0.668 | S | S | . | * | G | 310 helix | trans | -63.1 | -26 | 174.2 | 54.9 | 0 | 0 | 0 | 0 | 114 | L310 L314 Q315 | L310-S312 PolarHBondContact O-N 3.43Å; S312-L314 VanDerWaalsContact C-N 3.26Å; S312-Q315 WeakPolarHBondContact O-CB 3.36Å |
| 313 | Q | 40.7 | Very low | 34.8 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 55% | 0.551 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -75.7 | -18 | 174.6 | -62.4 | 178.9 | -33.4 | 0 | 0 | 112.2 | V309 L310 P311 | V309-Q313 HydrophobicContact CG1-CB 3.94Å; V309-Q313 VanDerWaalsContact CG1-OE1 3.27Å; L310-Q313 WeakPolarHBondContact O-CB 3.44Å; L310-Q313 PolarHBondContact O-N 3.48Å; P311-Q313 PolarHBondContact O-N 2.77Å |
| 314 | L | 46 | Very low | 34.6 | Very low | 94 Ų | 94 | 127 Ų | 127 | 49% | 0.492 | 68% | 0.679 | S | S | . | * | G | 310 helix | trans | -91.1 | -5.1 | 177.8 | -61.6 | 176.2 | 0 | 0 | 0 | 112.9 | V309 P311 S312 N316 F317 | V309-L314 HydrophobicContact CG1-CD2 4.33Å; V309-L314 HydrophobicContact CG1-CG 4.33Å; P311-L314 WeakPolarHBondContact O-CB 3.3Å; P311-L314 PolarHBondContact O-N 2.89Å; S312-L314 VanDerWaalsContact C-N 3.26Å; L314-N316 PolarHBondContact O-N 3.03Å; L314-F317 HydrophobicContact CD2-CD2 4.26Å; L314-F317 PolarHBondContact O-N 3.01Å |
| 315 | Q | 40.5 | Very low | 34.1 | Very low | 161 Ų | 161 | 131.5 Ų | 131.5 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -14.5 | -168.5 | -157.8 | 148.2 | 16.4 | 0 | 0 | 114.6 | S312 | S312-Q315 WeakPolarHBondContact O-CB 3.36Š|
| 316 | N | 41.2 | Very low | 33.9 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 85% | 0.85 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -1.9 | 173.3 | -65.9 | -34.4 | 0 | 0 | 0 | 113.9 | L314 L318 | L314-N316 PolarHBondContact O-N 3.03Å; N316-L318 PolarHBondContact O-N 3.05Å |
| 317 | F | 36.6 | Very low | 33.5 | Very low | 148 Ų | 148 | 132 Ų | 132 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | | | trans | -92.8 | 101.7 | 176.7 | -66.9 | -88.3 | 0 | 0 | 0 | 108.9 | L314 I319 | L314-F317 HydrophobicContact CD2-CD2 4.26Å; L314-F317 PolarHBondContact O-N 3.01Å; F317-I319 PolarHBondContact O-N 3.25Å |
| 318 | L | 28.1 | Very low | 33.2 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 75% | 0.749 | 71% | 0.708 | S | S | * | * | | | trans | -73.2 | 104.4 | 168.2 | -151.5 | 88.5 | 0 | 0 | 0 | 107.6 | N316 E320 | N316-L318 PolarHBondContact O-N 3.05Å; L318-E320 HydrophobicContact CD2-CG 3.66Å; L318-E320 WeakPolarHBondContact CD2-OE1 3.48Å; L318-E320 HydrophobicContact CG-CG 4.27Å; L318-E320 PolarHBondContact O-N 2.68Å |
| 319 | I | 36.9 | Very low | 33.3 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 68% | 0.677 | 71% | 0.714 | S | S | * | * | | | trans | -87.1 | 85.5 | 170.5 | -53.7 | 173.1 | 0 | 0 | 0 | 106.2 | F317 P321 | F317-I319 PolarHBondContact O-N 3.25Å; I319-P321 WeakPolarHBondContact O-CD 3.34Å |
| 320 | E | 26.8 | Very low | 33.1 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 69% | 0.692 | 72% | 0.718 | S | S | * | * | | | trans | -78.1 | 121.6 | 171.7 | -90 | -178.5 | 174.5 | 0 | 0 | 109.7 | L318 I322 | L318-E320 HydrophobicContact CD2-CG 3.66Å; L318-E320 WeakPolarHBondContact CD2-OE1 3.48Å; L318-E320 HydrophobicContact CG-CG 4.27Å; L318-E320 PolarHBondContact O-N 2.68Å; E320-I322 PolarHBondContact O-N 2.89Å |
| 321 | P | 26.8 | Very low | 32.5 | Very low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 73% | 0.733 | S | S | * | * | | | trans | -70.3 | 114.2 | 172.6 | 27.5 | -30.7 | 0 | 0 | 0 | 108.8 | I319 C323 | I319-P321 WeakPolarHBondContact O-CD 3.34Å; P321-C323 VanDerWaalsContact C-N 3.34Å; P321-C323 PolarHBondContact O-N 2.7Å |
| 322 | I | 29.9 | Very low | 31.7 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 60% | 0.595 | 74% | 0.736 | S | S | * | * | | | trans | -73.6 | 93 | 173.1 | -58.1 | 172.1 | 0 | 0 | 0 | 107.3 | E320 L324 L341 | E320-I322 PolarHBondContact O-N 2.89Å; I322-L324 PolarHBondContact O-N 3.23Å; I322-L324 VanDerWaalsContact O-N 3.09Å; I322-L341 HydrophobicContact CD1-CD1 3.44Å; I322-L341 VanDerWaalsContact CD1-CD1 3.44Å |
| 323 | C | 25.5 | Very low | 30.9 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 78% | 0.784 | 75% | 0.749 | S | S | * | * | | | trans | -67.5 | 104.1 | 161 | -73.3 | 0 | 0 | 0 | 0 | 107.3 | P321 Q325 | P321-C323 VanDerWaalsContact C-N 3.34Å; P321-C323 PolarHBondContact O-N 2.7Å; C323-Q325 PolarHBondContact O-N 3.23Å |
| 324 | L | 31.7 | Very low | 30.3 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | | | trans | -48.5 | 108.1 | 173.9 | -81.4 | 157.4 | 0 | 0 | 0 | 109.7 | I322 G326 | I322-L324 PolarHBondContact O-N 3.23Å; I322-L324 VanDerWaalsContact O-N 3.09Å; L324-G326 PolarHBondContact O-N 2.95Å |
| 325 | Q | 25.6 | Very low | 29.4 | Very low | 207 Ų | 207 | 137.8 Ų | 137.8 | 97% | 0.967 | 77% | 0.769 | S | S | * | * | | | trans | -78.5 | 90 | -174.8 | -152.8 | 177.5 | 32.4 | 0 | 0 | 108.8 | C323 | C323-Q325 PolarHBondContact O-N 3.23Š|
| 326 | G | 25.4 | Very low | 28.5 | Very low | 62 Ų | 62 | 134.5 Ų | 134.5 | 64% | 0.639 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 147.5 | 86.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L324 | L324-G326 PolarHBondContact O-N 2.95Š|
| 327 | S | 25.6 | Very low | 27.8 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 154.4 | 94 | 135.7 | -67.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 328 | R | 25.4 | Very low | 27.2 | Very low | 241 Ų | 241 | 134.6 Ų | 134.6 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | | | trans | 51 | 134.9 | 162.2 | -78.4 | -177.8 | 163.9 | -162 | -4.5 | 119.8 | G330 | R328-G330 PolarHBondContact O-N 3.35Š|
| 329 | P | 35.5 | Very low | 27 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 90% | 0.903 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -80.2 | 125.1 | -177.8 | 33.4 | -30.6 | 0 | 0 | 0 | 110.4 | | |
| 330 | G | 26.9 | Very low | 26.5 | Very low | 63 Ų | 63 | 136.5 Ų | 136.5 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | | | trans | 149.3 | 128.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | R328 | R328-G330 PolarHBondContact O-N 3.35Š|
| 331 | V | 25.4 | Very low | 26.5 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 87% | 0.873 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 96.4 | 120.1 | -176.4 | -167.6 | 0 | 0 | 0 | 0 | 113.7 | T333 | V331-T333 PolarHBondContact O-N 2.88Š|
| 332 | D | 25.8 | Very low | 26.3 | Very low | 140 Ų | 140 | 134 Ų | 134 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | | | trans | -52.3 | 119.9 | -166.4 | -64.9 | -70.2 | 0 | 0 | 0 | 115.1 | S334 | D332-S334 VanDerWaalsContact C-N 3.34Å; D332-S334 PolarHBondContact O-N 2.93Å |
| 333 | T | 23.4 | Very low | 26.1 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | | | trans | -70.3 | 86.3 | 164.3 | 47 | 0 | 0 | 0 | 0 | 109.7 | V331 | V331-T333 PolarHBondContact O-N 2.88Š|
| 334 | S | 27.8 | Very low | 26 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | | | trans | -109.6 | -10.4 | 171 | -55.4 | 0 | 0 | 0 | 0 | 114.3 | D332 | D332-S334 VanDerWaalsContact C-N 3.34Å; D332-S334 PolarHBondContact O-N 2.93Å |
| 335 | D | 26 | Very low | 25.6 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | | | trans | -120.1 | 56.8 | -178 | -64.7 | -41.8 | 0 | 0 | 0 | 111.7 | S337 | D335-S337 VanDerWaalsContact C-N 3.27Å; D335-S337 PolarHBondContact O-N 3.2Å |
| 336 | C | 22.3 | Very low | 25.4 | Very low | 91 Ų | 91 | 131.9 Ų | 131.9 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | | | trans | -77.5 | 84.6 | 163.9 | -72.1 | 0 | 0 | 0 | 0 | 109 | Y338 | C336-Y338 PolarHBondContact O-N 3.3Š|
| 337 | S | 26.3 | Very low | 25.3 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | | | trans | -55.8 | 120.9 | 160.2 | -43.8 | 0 | 0 | 0 | 0 | 108.8 | D335 D339 | D335-S337 VanDerWaalsContact C-N 3.27Å; D335-S337 PolarHBondContact O-N 3.2Å; S337-D339 VanDerWaalsContact C-N 3.32Å; S337-D339 PolarHBondContact O-N 2.93Å |
| 338 | Y | 23.8 | Very low | 25.1 | Very low | 207 Ų | 207 | 135 Ų | 135 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | trans | -73.8 | 87.5 | 171.9 | -66 | -90.8 | 0 | 0 | 0 | 109.1 | C336 | C336-Y338 PolarHBondContact O-N 3.3Š|
| 339 | D | 23.8 | Very low | 24.9 | Very low | 142 Ų | 142 | 127 Ų | 127 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | trans | -81.6 | 117 | 163.8 | -102.5 | -35.4 | 0 | 0 | 0 | 109.2 | S337 L341 | S337-D339 VanDerWaalsContact C-N 3.32Å; S337-D339 PolarHBondContact O-N 2.93Å; D339-L341 VanDerWaalsContact C-N 3.31Å; D339-L341 PolarHBondContact O-N 3.28Å |
| 340 | L | 25.9 | Very low | 24.2 | Very low | 174 Ų | 174 | 132.4 Ų | 132.4 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | | | trans | -66.1 | 93.6 | 166.6 | -89.2 | 142.6 | 0 | 0 | 0 | 107.6 | G342 | L340-G342 PolarHBondContact O-N 2.87Š|
| 341 | L | 27.3 | Very low | 24 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 73% | 0.728 | 80% | 0.795 | S | S | * | * | | | trans | -60.9 | 85.5 | 171.2 | -74.4 | 165.9 | 0 | 0 | 0 | 110 | I322 D339 E343 | I322-L341 HydrophobicContact CD1-CD1 3.44Å; I322-L341 VanDerWaalsContact CD1-CD1 3.44Å; D339-L341 VanDerWaalsContact C-N 3.31Å; D339-L341 PolarHBondContact O-N 3.28Å; L341-E343 PolarHBondContact O-N 2.83Å |
| 342 | G | 24.1 | Very low | 23.9 | Very low | 68 Ų | 68 | 132.7 Ų | 132.7 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | trans | -75.2 | 108.3 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | L340 | L340-G342 PolarHBondContact O-N 2.87Š|
| 343 | E | 23.8 | Very low | 23.6 | Very low | 185 Ų | 185 | 135.2 Ų | 135.2 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 58.3 | 118.6 | 163.4 | -70.9 | 179.8 | 137.7 | 0 | 0 | 118 | L341 A345 | L341-E343 PolarHBondContact O-N 2.83Å; E343-A345 PolarHBondContact O-N 2.99Å |
| 344 | L | 23.6 | Very low | 23.9 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 94% | 0.937 | 79% | 0.792 | S | S | * | * | | | trans | -47.4 | 98.1 | 169.2 | -77.7 | 80.4 | 0 | 0 | 0 | 112.1 | S346 | L344-S346 PolarHBondContact O-N 3.14Š|
| 345 | A | 23.7 | Very low | 23.6 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | | | trans | -83.1 | 99.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | E343 | E343-A345 PolarHBondContact O-N 2.99Š|
| 346 | S | 20.8 | Very low | 23.3 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | | | trans | -40.5 | 135.4 | 176.6 | 34.4 | 0 | 0 | 0 | 0 | 114.7 | L344 C348 | L344-S346 PolarHBondContact O-N 3.14Å; S346-C348 PolarHBondContact O-N 3.07Å |
| 347 | S | 24.3 | Very low | 23.3 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | | | trans | -63.3 | 93 | 175.3 | 38.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 348 | C | 21.5 | Very low | 23.2 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | | | trans | -97 | 115.6 | 172.5 | -62.8 | 0 | 0 | 0 | 0 | 110.2 | S346 | S346-C348 PolarHBondContact O-N 3.07Š|
| 349 | G | 21.6 | Very low | 23.1 | Very low | 73 Ų | 73 | 140.4 Ų | 140.4 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | | | trans | 115.8 | 46.6 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | S351 | G349-S351 PolarHBondContact O-N 3.04Š|
| 350 | R | 20.2 | Very low | 23.2 | Very low | 252 Ų | 252 | 140.1 Ų | 140.1 | 95% | 0.951 | 82% | 0.822 | S | S | * | * | | | trans | -61.6 | 113.7 | 145.9 | -80 | 179.3 | 170.3 | -178 | -2.6 | 108.4 | | |
| 351 | S | 23.3 | Very low | 23.1 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | | | trans | -100.4 | 96.8 | 155.2 | 60.4 | 0 | 0 | 0 | 0 | 108.5 | G349 | G349-S351 PolarHBondContact O-N 3.04Š|
| 352 | A | 21.9 | Very low | 23.3 | Very low | 91 Ų | 91 | 135.9 Ų | 135.9 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | | | trans | -75.9 | 133.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 353 | Q | 20.9 | Very low | 23.2 | Very low | 193 Ų | 193 | 140.1 Ų | 140.1 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | | | trans | -169.9 | 154.1 | 136.5 | -102.5 | -163.5 | -63.8 | 0 | 0 | 110.8 | | |
| 354 | P | 28.7 | Very low | 23.3 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 70% | 0.695 | 82% | 0.822 | S | S | * | * | | | trans | -113.7 | 162.7 | -138.2 | 39.7 | -29.3 | 0 | 0 | 0 | 114.3 | | |
| 355 | A | 21.7 | Very low | 23.5 | Very low | 88 Ų | 88 | 136.8 Ų | 136.8 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | | | trans | 26.3 | 113.2 | 144.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 356 | N | 20.7 | Very low | 23.5 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | | | trans | -136.2 | 117.7 | 142.1 | -123.6 | -24.6 | 0 | 0 | 0 | 109.6 | | |
| 357 | H | 21.7 | Very low | 23.8 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 80% | 0.796 | 82% | 0.815 | S | S | * | * | | | trans | -59.5 | 137 | 167.6 | -70.5 | -22.4 | 0 | 0 | 0 | 110.1 | | |
| 358 | N | 24 | Very low | 23.9 | Very low | 165 Ų | 165 | 142 Ų | 142 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | | | trans | -153.5 | 128.1 | 144.5 | -98.5 | -17 | 0 | 0 | 0 | 109.1 | | |
| 359 | E | 22.3 | Very low | 24 | Very low | 187 Ų | 187 | 143 Ų | 143 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | -64.9 | 126.6 | -177.4 | -60.8 | 160.7 | 131 | 0 | 0 | 111.8 | | |
| 360 | V | 26.2 | Very low | 24.4 | Very low | 136 Ų | 136 | 146.3 Ų | 146.3 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | | | trans | -148.6 | 112.8 | 150 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 361 | S | 22.2 | Very low | 24.6 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | | | trans | 48.9 | 134.8 | 144.3 | -149.2 | 0 | 0 | 0 | 0 | 122.2 | D363 | S361-D363 PolarHBondContact O-N 3.22Š|
| 362 | S | 31.8 | Very low | 24.7 | Very low | 117 Ų | 117 | 138 Ų | 138 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -69.4 | 65.1 | -172.8 | -64.2 | 0 | 0 | 0 | 0 | 117.5 | | |
| 363 | D | 23.4 | Very low | 24.8 | Very low | 158 Ų | 158 | 141 Ų | 141 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | trans | -119.6 | 37.3 | 158.2 | -75.8 | -41.5 | 0 | 0 | 0 | 111.8 | S361 A365 | S361-D363 PolarHBondContact O-N 3.22Å; D363-A365 PolarHBondContact O-N 2.97Å; D363-A365 VanDerWaalsContact O-N 3.15Å |
| 364 | Y | 25.6 | Very low | 25 | Very low | 206 Ų | 206 | 137.8 Ų | 137.8 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 74 | -177.9 | -140.3 | -83.6 | 0 | 0 | 0 | 111.1 | M367 | Y364-M367 HydrophobicContact CE1-SD 4.28Š|
| 365 | A | 27.9 | Very low | 24.8 | Very low | 87 Ų | 87 | 136.8 Ų | 136.8 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -162 | -2.7 | 162 | 0 | 0 | 0 | 0 | 0 | 117.1 | D363 M367 | D363-A365 PolarHBondContact O-N 2.97Å; D363-A365 VanDerWaalsContact O-N 3.15Å; A365-M367 PolarHBondContact O-N 3.32Å |
| 366 | D | 23.9 | Very low | 25 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | | | trans | -93.7 | 34.3 | 172.1 | -85.7 | -22.4 | 0 | 0 | 0 | 113 | V368 | D366-V368 PolarHBondContact O-N 2.74Š|
| 367 | M | 26.2 | Very low | 25 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | | | trans | -70.1 | 62.5 | 160.7 | -91.4 | -176.4 | 55 | 0 | 0 | 110.6 | Y364 A365 | Y364-M367 HydrophobicContact CE1-SD 4.28Å; A365-M367 PolarHBondContact O-N 3.32Å |
| 368 | V | 26.9 | Very low | 25.1 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | | | trans | -134.8 | 35.3 | 147.7 | -157.3 | 0 | 0 | 0 | 0 | 109.5 | D366 | D366-V368 PolarHBondContact O-N 2.74Š|
| 369 | N | 23.6 | Very low | 25 | Very low | 143 Ų | 143 | 142.8 Ų | 142.8 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -98.1 | 116.2 | 147.2 | -113.8 | -25.8 | 0 | 0 | 0 | 107 | | |
| 370 | N | 30.3 | Very low | 25 | Very low | 143 Ų | 143 | 136 Ų | 136 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 87.8 | 42.9 | 166.4 | -62.3 | -14.2 | 0 | 0 | 0 | 121.6 | | |
| 371 | S | 23.2 | Very low | 24.8 | Very low | 93 Ų | 93 | 133.5 Ų | 133.5 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -133.4 | 124.9 | 151.3 | 59.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 372 | C | 24.8 | Very low | 24.8 | Very low | 106 Ų | 106 | 133 Ų | 133 | 72% | 0.716 | 73% | 0.732 | S | S | * | * | | | trans | 79 | 40.9 | -169.4 | -59.2 | 0 | 0 | 0 | 0 | 115.5 | D374 | C372-D374 VanDerWaalsContact CA-N 3.35Å; C372-D374 PolarHBondContact O-N 3.05Å; C372-D374 PolarHBondContact SG-OD2 2.83Å |
| 373 | Q | 24 | Very low | 24.4 | Very low | 156 Ų | 156 | 132.9 Ų | 132.9 | 73% | 0.729 | 73% | 0.729 | S | S | * | * | | | | -64.5 | 75 | 120 | -84.7 | -159.8 | -1.8 | 0 | 0 | 107.5 | V375 | Q373-V375 HydrophobicContact CB-CG2 3.97Å; Q373-V375 HydrophobicContact CG-CG2 4.09Å; Q373-V375 PolarHBondContact O-N 3.36Å |
| 374 | D | 26.4 | Very low | 24.3 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | | | trans | -71.1 | 52.8 | 145.5 | -71.8 | -48.9 | 0 | 0 | 0 | 107.1 | C372 F376 | C372-D374 VanDerWaalsContact CA-N 3.35Å; C372-D374 PolarHBondContact O-N 3.05Å; C372-D374 PolarHBondContact SG-OD2 2.83Å; D374-F376 PolarHBondContact O-N 2.94Å |
| 375 | V | 24.6 | Very low | 24.1 | Very low | 87 Ų | 87 | 132 Ų | 132 | 53% | 0.527 | 73% | 0.725 | S | S | . | * | | | trans | -55.3 | 106.8 | 137.4 | 175.8 | 0 | 0 | 0 | 0 | 101.5 | Q373 R377 | Q373-V375 HydrophobicContact CB-CG2 3.97Å; Q373-V375 HydrophobicContact CG-CG2 4.09Å; Q373-V375 PolarHBondContact O-N 3.36Å; V375-R377 PolarHBondContact O-N 3.28Å |
| 376 | F | 25.2 | Very low | 23.8 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 81% | 0.811 | 72% | 0.718 | S | S | * | * | | | trans | -47.4 | 84.1 | 159.7 | -81.1 | -100.9 | 0 | 0 | 0 | 107.1 | D374 M378 | D374-F376 PolarHBondContact O-N 2.94Å; F376-M378 PolarHBondContact O-N 2.99Å |
| 377 | R | 21.6 | Very low | 23.6 | Very low | 212 Ų | 212 | 128.8 Ų | 128.8 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | | | trans | -68.2 | 86.9 | 155.3 | -90.6 | -171.6 | 179.1 | -139.8 | 1.5 | 102.2 | V375 L379 | V375-R377 PolarHBondContact O-N 3.28Å; R377-L379 PolarHBondContact O-N 2.8Å |
| 378 | M | 23 | Very low | 23.5 | Very low | 153 Ų | 153 | 129.9 Ų | 129.9 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | | | trans | -46.6 | 94.9 | 152.7 | -72.8 | -75.3 | -73.4 | 0 | 0 | 105.6 | F376 G380 | F376-M378 PolarHBondContact O-N 2.99Å; M378-G380 PolarHBondContact O-N 2.88Å; M378-G380 VanDerWaalsContact O-O 3.09Å |
| 379 | L | 22.9 | Very low | 23.2 | Very low | 167 Ų | 167 | 127 Ų | 127 | 87% | 0.874 | 71% | 0.705 | S | S | * | * | | | trans | -73 | 1.2 | 170.9 | -81.3 | 165.2 | 0 | 0 | 0 | 110.7 | R377 | R377-L379 PolarHBondContact O-N 2.8Š|
| 380 | G | 22 | Very low | 23.5 | Very low | 45 Ų | 45 | 126.7 Ų | 126.7 | 46% | 0.464 | 71% | 0.711 | S | S | . | * | S | Bend | trans | -77.2 | 121.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | M378 | M378-G380 PolarHBondContact O-N 2.88Å; M378-G380 VanDerWaalsContact O-O 3.09Å |
| 381 | A | 21.4 | Very low | 23.2 | Very low | 83 Ų | 83 | 127.5 Ų | 127.5 | 69% | 0.686 | 71% | 0.708 | S | S | * | * | | | trans | -38.4 | 130.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | C383 | A381-C383 PolarHBondContact O-N 3.05Š|
| 382 | P | 22.9 | Very low | 23.3 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 62% | 0.623 | 70% | 0.701 | S | S | * | * | | | trans | -55 | 119.7 | 178.5 | 24.6 | -33.2 | 0 | 0 | 0 | 106.2 | Y384 | P382-Y384 HydrophobicContact CB-CD2 3.57Å; P382-Y384 HydrophobicContact CB-CE2 3.79Å; P382-Y384 HydrophobicContact CG-CD2 3.68Å; P382-Y384 HydrophobicContact CG-CE2 3.94Å; P382-Y384 PolarHBondContact O-N 3.31Å |
| 383 | C | 22.3 | Very low | 23.4 | Very low | 114 Ų | 114 | 128 Ų | 128 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | | | trans | -67.6 | 57.4 | 169.9 | -58.9 | 0 | 0 | 0 | 0 | 108.7 | A381 N385 | A381-C383 PolarHBondContact O-N 3.05Å; C383-N385 PolarHBondContact O-N 2.93Å; C383-N385 VanDerWaalsContact O-N 3.1Å |
| 384 | Y | 21.9 | Very low | 23.8 | Very low | 195 Ų | 195 | 125.4 Ų | 125.4 | 77% | 0.765 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | 113.4 | 149.4 | -79.8 | -83.2 | 0 | 0 | 0 | 104.5 | P382 | P382-Y384 HydrophobicContact CB-CD2 3.57Å; P382-Y384 HydrophobicContact CB-CE2 3.79Å; P382-Y384 HydrophobicContact CG-CD2 3.68Å; P382-Y384 HydrophobicContact CG-CE2 3.94Å; P382-Y384 PolarHBondContact O-N 3.31Å |
| 385 | N | 20.6 | Very low | 23.9 | Very low | 150 Ų | 150 | 124.6 Ų | 124.6 | 80% | 0.802 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.7 | 39.9 | 176.6 | -41.8 | -33.9 | 0 | 0 | 0 | 116.7 | C383 S387 | C383-N385 PolarHBondContact O-N 2.93Å; C383-N385 VanDerWaalsContact O-N 3.1Å; N385-S387 PolarHBondContact O-N 3.09Å |
| 386 | A | 21.2 | Very low | 24.3 | Very low | 69 Ų | 69 | 125 Ų | 125 | 57% | 0.57 | 70% | 0.699 | S | S | * | * | | | | -77.5 | 78.3 | 128.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | M388 | A386-M388 PolarHBondContact O-N 2.96Š|
| 387 | S | 20.5 | Very low | 24.8 | Very low | 109 Ų | 109 | 120.9 Ų | 120.9 | 76% | 0.762 | 68% | 0.684 | S | S | * | * | | | trans | -61.9 | 80.4 | 162.4 | 177.7 | 0 | 0 | 0 | 0 | 106.2 | N385 S389 | N385-S387 PolarHBondContact O-N 3.09Å; S387-S389 PolarHBondContact O-N 2.58Å |
| 388 | M | 23.7 | Very low | 25.2 | Very low | 167 Ų | 167 | 115 Ų | 115 | 82% | 0.823 | 67% | 0.668 | S | S | * | * | | | trans | -66.5 | 96.6 | 159.7 | -68.8 | -158.5 | -173.4 | 0 | 0 | 103.8 | A386 P390 | A386-M388 PolarHBondContact O-N 2.96Å; M388-P390 WeakPolarHBondContact O-CD 3.44Å; M388-P390 VanDerWaalsContact O-N 3.07Å |
| 389 | S | 22.1 | Very low | 25.8 | Very low | 70 Ų | 70 | 112.3 Ų | 112.3 | 49% | 0.49 | 66% | 0.656 | S | S | . | * | | | trans | -43.3 | 122.7 | 161.1 | -179 | 0 | 0 | 0 | 0 | 105.9 | S387 K391 G392 | S387-S389 PolarHBondContact O-N 2.58Å; S389-K391 CarbonylContact O-C 3.58Å; S389-K391 PolarHBondContact O-N 3Å; S389-G392 PolarHBondContact O-N 3.03Å |
| 390 | P | 28.7 | Very low | 26.3 | Very low | 136 Ų | 136 | 108.7 Ų | 108.7 | 88% | 0.883 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 8.5 | -177.9 | 20 | -28.8 | 0 | 0 | 0 | 113.5 | M388 | M388-P390 WeakPolarHBondContact O-CD 3.44Å; M388-P390 VanDerWaalsContact O-N 3.07Å |
| 391 | K | 25.2 | Very low | 26.7 | Very low | 160 Ų | 160 | 108 Ų | 108 | 70% | 0.696 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.2 | 43.4 | 167.5 | -65.8 | -178.1 | 176.9 | 178.9 | 0 | 111.3 | S389 N393 | S389-K391 CarbonylContact O-C 3.58Å; S389-K391 PolarHBondContact O-N 3Å; K391-N393 PolarHBondContact O-N 2.83Å |
| 392 | G | 25.4 | Very low | 27.3 | Very low | 50 Ų | 50 | 108.9 Ų | 108.9 | 52% | 0.515 | 64% | 0.641 | S | S | . | * | | | trans | -56.5 | 113.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | S389 I394 | S389-G392 PolarHBondContact O-N 3.03Å; G392-I394 VanDerWaalsContact C-N 3.28Å; G392-I394 PolarHBondContact O-N 3.11Å |
| 393 | N | 25.8 | Very low | 28.3 | Very low | 159 Ų | 159 | 110.7 Ų | 110.7 | 85% | 0.85 | 65% | 0.645 | S | S | * | * | | | trans | -51.8 | 86.8 | -176.6 | -67.4 | -31.7 | 0 | 0 | 0 | 110.9 | K391 P395 | K391-N393 PolarHBondContact O-N 2.83Å; N393-P395 VanDerWaalsContact O-CD 3.3Å; N393-P395 WeakPolarHBondContact O-CD 3.34Å |
| 394 | I | 32.2 | Very low | 28.6 | Very low | 102 Ų | 102 | 107.6 Ų | 107.6 | 52% | 0.523 | 63% | 0.633 | S | S | . | * | | | trans | -66.7 | 113.8 | 157.4 | -59.6 | 171.8 | 0 | 0 | 0 | 102.8 | G392 D396 | G392-I394 VanDerWaalsContact C-N 3.28Å; G392-I394 PolarHBondContact O-N 3.11Å; I394-D396 PolarHBondContact O-N 3.04Å; I394-D396 VanDerWaalsContact O-N 3.12Å |
| 395 | P | 29.3 | Very low | 29 | Very low | 107 Ų | 107 | 100.6 Ų | 100.6 | 70% | 0.695 | 61% | 0.612 | S | S | * | * | | | trans | -56.2 | 127.1 | 177 | 23.6 | -31.4 | 0 | 0 | 0 | 107 | N393 I397 | N393-P395 VanDerWaalsContact O-CD 3.3Å; N393-P395 WeakPolarHBondContact O-CD 3.34Å; P395-I397 PolarHBondContact O-N 2.8Å |
| 396 | D | 31.5 | Very low | 29.3 | Very low | 97 Ų | 97 | 98.4 Ų | 98.4 | 52% | 0.519 | 60% | 0.599 | S | S | . | * | | | trans | -47.2 | 112.7 | 175.1 | -77.6 | -39.6 | 0 | 0 | 0 | 107.6 | I394 I398 | I394-D396 PolarHBondContact O-N 3.04Å; I394-D396 VanDerWaalsContact O-N 3.12Å; D396-I398 PolarHBondContact O-N 2.8Å |
| 397 | I | 35.7 | Very low | 29.7 | Very low | 97 Ų | 97 | 104 Ų | 104 | 50% | 0.497 | 61% | 0.606 | S | S | . | * | | | trans | -71.9 | 94.6 | 174.7 | -58.1 | 175.4 | 0 | 0 | 0 | 104.7 | P395 L399 | P395-I397 PolarHBondContact O-N 2.8Å; I397-L399 VanDerWaalsContact C-N 3.27Å; I397-L399 HydrophobicContact CG2-CD2 3.75Å; I397-L399 HydrophobicContact CG2-CG 4.16Å; I397-L399 PolarHBondContact O-N 3.01Å |
| 398 | I | 31.2 | Very low | 30.4 | Very low | 90 Ų | 90 | 103.4 Ų | 103.4 | 46% | 0.462 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.8 | 92.9 | 170.9 | -68.5 | 168.8 | 0 | 0 | 0 | 106.6 | D396 T400 I406 | D396-I398 PolarHBondContact O-N 2.8Å; I398-T400 PolarHBondContact O-N 3.34Å; I398-T400 VanDerWaalsContact O-N 3.07Å; I398-I406 HydrophobicContact CB-CG2 4.33Å; I398-I406 HydrophobicContact CG1-CG2 4.2Å; I398-I406 HydrophobicContact CG2-CB 4.08Å; I398-I406 HydrophobicContact CG2-CD1 4.32Å; I398-I406 HydrophobicContact CG2-CG1 3.78Å; I398-I406 HydrophobicContact CG2-CG2 3.47Å; I398-I406 VanDerWaalsContact CG2-CG2 3.47Å |
| 399 | L | 35.9 | Very low | 30.9 | Very low | 96 Ų | 96 | 98 Ų | 98 | 50% | 0.503 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.7 | 100.3 | 167.6 | -63.5 | 177.1 | 0 | 0 | 0 | 106.5 | I397 G401 R407 | I397-L399 VanDerWaalsContact C-N 3.27Å; I397-L399 HydrophobicContact CG2-CD2 3.75Å; I397-L399 HydrophobicContact CG2-CG 4.16Å; I397-L399 PolarHBondContact O-N 3.01Å; L399-G401 PolarHBondContact O-N 3.47Å; L399-R407 PolarHBondContact O-N 2.91Å |
| 400 | T | 32.3 | Very low | 31.3 | Very low | 90 Ų | 90 | 99.5 Ų | 99.5 | 55% | 0.552 | 58% | 0.583 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.2 | 112 | 169.8 | -51.8 | 0 | 0 | 0 | 0 | 107 | I398 S405 | I398-T400 PolarHBondContact O-N 3.34Å; I398-T400 VanDerWaalsContact O-N 3.07Å; T400-S405 CarbonylContact C-O 3.53Å; T400-S405 WeakPolarHBondContact CA-O 3.48Å |
| 401 | G | 30.2 | Very low | 31.4 | Very low | 30 Ų | 30 | 99.5 Ų | 99.5 | 31% | 0.309 | 57% | 0.573 | S | S | . | * | | | trans | -58.7 | 159.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L399 D403 G404 S405 | L399-G401 PolarHBondContact O-N 3.47Å; G401-D403 PolarHBondContact O-N 2.99Å; G401-G404 WeakPolarHBondContact O-CA 3.45Å; G401-G404 PolarHBondContact O-N 2.92Å; G401-S405 PolarHBondContact N-O 3.35Å |
| 402 | A | 34.6 | Very low | 31.5 | Very low | 103 Ų | 103 | 97 Ų | 97 | 85% | 0.851 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -16.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 403 | D | 44.6 | Very low | 31.7 | Very low | 133 Ų | 133 | 98.8 Ų | 98.8 | 71% | 0.711 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -0.2 | 173.3 | 63.5 | -23.1 | 0 | 0 | 0 | 113.8 | G401 S405 | G401-D403 PolarHBondContact O-N 2.99Å; D403-S405 VanDerWaalsContact OD1-CB 3.24Å; D403-S405 WeakPolarHBondContact OD1-CB 3.37Å; D403-S405 PolarHBondContact OD1-N 2.98Å; D403-S405 VanDerWaalsContact OD1-N 3.12Å; D403-S405 WeakPolarHBondContact OD2-CB 3.37Å |
| 404 | G | 28.8 | Very low | 31.7 | Very low | 49 Ų | 49 | 96 Ų | 96 | 51% | 0.505 | 57% | 0.57 | S | S | . | * | S | Bend | trans | 85 | 4.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G401 I406 | G401-G404 WeakPolarHBondContact O-CA 3.45Å; G401-G404 PolarHBondContact O-N 2.92Å; G404-I406 PolarHBondContact O-N 3.11Å |
| 405 | S | 28.6 | Very low | 31.5 | Very low | 49 Ų | 49 | 96.6 Ų | 96.6 | 34% | 0.343 | 58% | 0.578 | S | S | . | * | | | trans | -71.8 | 122.1 | 179.3 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | T400 G401 D403 R407 | T400-S405 CarbonylContact C-O 3.53Å; T400-S405 WeakPolarHBondContact CA-O 3.48Å; G401-S405 PolarHBondContact N-O 3.35Å; D403-S405 VanDerWaalsContact OD1-CB 3.24Å; D403-S405 WeakPolarHBondContact OD1-CB 3.37Å; D403-S405 PolarHBondContact OD1-N 2.98Å; D403-S405 VanDerWaalsContact OD1-N 3.12Å; D403-S405 WeakPolarHBondContact OD2-CB 3.37Å; S405-R407 PolarHBondContact O-N 3.19Å |
| 406 | I | 28.8 | Very low | 31.2 | Very low | 103 Ų | 103 | 95.7 Ų | 95.7 | 53% | 0.528 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.3 | 109.7 | 173.3 | -65.4 | 169.6 | 0 | 0 | 0 | 108.8 | I398 G404 N408 | I398-I406 HydrophobicContact CB-CG2 4.33Å; I398-I406 HydrophobicContact CG1-CG2 4.2Å; I398-I406 HydrophobicContact CG2-CB 4.08Å; I398-I406 HydrophobicContact CG2-CD1 4.32Å; I398-I406 HydrophobicContact CG2-CG1 3.78Å; I398-I406 HydrophobicContact CG2-CG2 3.47Å; I398-I406 VanDerWaalsContact CG2-CG2 3.47Å; G404-I406 PolarHBondContact O-N 3.11Å; I406-N408 WeakPolarHBondContact CG2-OD1 3.41Å |
| 407 | R | 29.8 | Very low | 30.7 | Very low | 187 Ų | 187 | 95.9 Ų | 95.9 | 71% | 0.706 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.2 | 102.7 | 167.6 | -71.1 | -172.6 | 177.3 | -166 | -0.4 | 109.4 | L399 S405 S409 | L399-R407 PolarHBondContact O-N 2.91Å; S405-R407 PolarHBondContact O-N 3.19Å; R407-S409 PolarHBondContact O-N 3.04Å; R407-S409 PolarHBondContact O-OG 2.82Å |
| 408 | N | 33.2 | Very low | 30.2 | Very low | 97 Ų | 97 | 95.7 Ų | 95.7 | 52% | 0.519 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -65 | 104.6 | 168.2 | -79.1 | 10.6 | 0 | 0 | 0 | 108.7 | I406 | I406-N408 WeakPolarHBondContact CG2-OD1 3.41Å |
| 409 | S | 35 | Very low | 29.7 | Very low | 53 Ų | 53 | 94.5 Ų | 94.5 | 37% | 0.371 | 60% | 0.596 | S | S | . | * | | | trans | -100 | 89.5 | 175.6 | -53 | 0 | 0 | 0 | 0 | 107.8 | R407 M411 | R407-S409 PolarHBondContact O-N 3.04Å; R407-S409 PolarHBondContact O-OG 2.82Å; S409-M411 PolarHBondContact O-N 3.49Å |
| 410 | S | 30.9 | Very low | 29.2 | Very low | 101 Ų | 101 | 100.1 Ų | 100.1 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | | | trans | -68.4 | 99.6 | 169.9 | 57.5 | 0 | 0 | 0 | 0 | 108.2 | S412 | S410-S412 PolarHBondContact O-N 3.48Š|
| 411 | M | 30.5 | Very low | 28.7 | Very low | 137 Ų | 137 | 105.3 Ų | 105.3 | 68% | 0.675 | 62% | 0.623 | S | S | * | * | | | trans | -73.9 | 95.7 | 174.9 | -162.9 | 175.7 | -64.8 | 0 | 0 | 108 | S409 T413 | S409-M411 PolarHBondContact O-N 3.49Å; M411-T413 HydrophobicContact CG-CG2 4.21Å; M411-T413 PolarHBondContact O-N 3.12Å |
| 412 | S | 27 | Very low | 28.5 | Very low | 107 Ų | 107 | 112.1 Ų | 112.1 | 75% | 0.748 | 65% | 0.646 | S | S | * | * | | | trans | -71.7 | 92 | 172.8 | -170.8 | 0 | 0 | 0 | 0 | 108.6 | S410 S414 | S410-S412 PolarHBondContact O-N 3.48Å; S412-S414 PolarHBondContact O-N 3.25Å |
| 413 | T | 30.8 | Very low | 28.1 | Very low | 87 Ų | 87 | 112.6 Ų | 112.6 | 53% | 0.534 | 65% | 0.65 | S | S | . | * | | | trans | -80.3 | 73.9 | 169.9 | 58.1 | 0 | 0 | 0 | 0 | 108.7 | M411 V415 | M411-T413 HydrophobicContact CG-CG2 4.21Å; M411-T413 PolarHBondContact O-N 3.12Å; T413-V415 PolarHBondContact O-N 3.4Å |
| 414 | S | 24.3 | Very low | 27.3 | Very low | 101 Ų | 101 | 109.5 Ų | 109.5 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | | | trans | -70.8 | 78.3 | 159.6 | 64.9 | 0 | 0 | 0 | 0 | 107.7 | S412 A416 | S412-S414 PolarHBondContact O-N 3.25Å; S414-A416 PolarHBondContact O-N 3.13Å |
| 415 | V | 28.8 | Very low | 27.4 | Very low | 114 Ų | 114 | 110.5 Ų | 110.5 | 69% | 0.691 | 65% | 0.653 | S | S | * | * | | | trans | -75.1 | 83.1 | 163.2 | -171.5 | 0 | 0 | 0 | 0 | 105 | T413 C417 | T413-V415 PolarHBondContact O-N 3.4Å; V415-C417 PolarHBondContact O-N 3.47Å |
| 416 | A | 22.2 | Very low | 27.8 | Very low | 89 Ų | 89 | 115.1 Ų | 115.1 | 74% | 0.736 | 68% | 0.679 | S | S | * | * | | | trans | -66.4 | 90.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | S414 P418 | S414-A416 PolarHBondContact O-N 3.13Å; A416-P418 WeakPolarHBondContact O-CD 3.32Å |
| 417 | C | 22.7 | Very low | 27.7 | Very low | 100 Ų | 100 | 114.8 Ų | 114.8 | 68% | 0.676 | 68% | 0.679 | S | S | * | * | | | trans | -55.1 | 122.1 | 164.4 | -67.5 | 0 | 0 | 0 | 0 | 105.9 | V415 A419 | V415-C417 PolarHBondContact O-N 3.47Å; C417-A419 VanDerWaalsContact C-N 3.33Å; C417-A419 PolarHBondContact O-N 3.36Å |
| 418 | P | 23.4 | Very low | 27.8 | Very low | 94 Ų | 94 | 111.6 Ų | 111.6 | 61% | 0.61 | 68% | 0.682 | S | S | * | * | | | trans | -62.2 | 104.2 | 173.3 | 23.7 | -29.1 | 0 | 0 | 0 | 106.6 | A416 Y420 | A416-P418 WeakPolarHBondContact O-CD 3.32Å; P418-Y420 VanDerWaalsContact C-N 3.34Å; P418-Y420 HydrophobicContact CG-CE2 4.21Å; P418-Y420 WeakPolarHBondContact O-CD2 3.47Å; P418-Y420 PolarHBondContact O-N 2.92Å |
| 419 | A | 22 | Very low | 27.6 | Very low | 64 Ų | 64 | 112.8 Ų | 112.8 | 53% | 0.529 | 69% | 0.693 | S | S | . | * | | | trans | -63.1 | 105 | 163.8 | 0 | 0 | 0 | 0 | 0 | 105.3 | C417 Y421 | C417-A419 VanDerWaalsContact C-N 3.33Å; C417-A419 PolarHBondContact O-N 3.36Å; A419-Y421 HydrophobicContact CB-CD2 4.19Å; A419-Y421 HydrophobicContact CB-CE2 3.74Å; A419-Y421 WeakPolarHBondContact O-CD2 3.08Å; A419-Y421 PolarHBondContact O-N 2.84Å |
| 420 | Y | 24 | Very low | 27.1 | Very low | 214 Ų | 214 | 115.2 Ų | 115.2 | 84% | 0.839 | 71% | 0.706 | S | S | * | * | | | trans | -66.1 | 90.6 | 168.8 | -69.2 | -90.3 | 0 | 0 | 0 | 106.6 | P418 E422 | P418-Y420 VanDerWaalsContact C-N 3.34Å; P418-Y420 HydrophobicContact CG-CE2 4.21Å; P418-Y420 WeakPolarHBondContact O-CD2 3.47Å; P418-Y420 PolarHBondContact O-N 2.92Å; Y420-E422 PolarHBondContact O-N 2.94Å |
| 421 | Y | 22.3 | Very low | 27.1 | Very low | 200 Ų | 200 | 117.5 Ų | 117.5 | 78% | 0.784 | 71% | 0.709 | S | S | * | * | | | trans | -70.6 | 112 | 161.1 | -66.7 | -81.4 | 0 | 0 | 0 | 105.8 | A419 A423 | A419-Y421 HydrophobicContact CB-CD2 4.19Å; A419-Y421 HydrophobicContact CB-CE2 3.74Å; A419-Y421 WeakPolarHBondContact O-CD2 3.08Å; A419-Y421 PolarHBondContact O-N 2.84Å; Y421-A423 PolarHBondContact O-N 2.99Å |
| 422 | E | 26.7 | Very low | 26.8 | Very low | 173 Ų | 173 | 115 Ų | 115 | 81% | 0.808 | 71% | 0.71 | S | S | * | * | | | trans | -54.5 | 112 | 175 | -148.9 | 171.4 | -160 | 0 | 0 | 108 | Y420 G424 | Y420-E422 PolarHBondContact O-N 2.94Å; E422-G424 PolarHBondContact O-N 3.15Å |
| 423 | A | 26.4 | Very low | 26.7 | Very low | 113 Ų | 113 | 117.4 Ų | 117.4 | 93% | 0.934 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 82 | 179.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y421 | Y421-A423 PolarHBondContact O-N 2.99Š|
| 424 | G | 27.9 | Very low | 26.6 | Very low | 67 Ų | 67 | 119.4 Ų | 119.4 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 173.5 | -23.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | E422 T426 | E422-G424 PolarHBondContact O-N 3.15Å; G424-T426 PolarHBondContact O-N 2.85Å |
| 425 | A | 29.3 | Very low | 26.5 | Very low | 71 Ų | 71 | 123 Ų | 123 | 59% | 0.587 | 73% | 0.726 | S | S | * | * | | | trans | -90.9 | 95.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | N427 | A425-N427 PolarHBondContact O-N 3.18Š|
| 426 | T | 37.1 | Very low | 26.8 | Very low | 145 Ų | 145 | 126.2 Ų | 126.2 | 89% | 0.89 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -68.3 | 50.6 | 167.9 | 37 | 0 | 0 | 0 | 0 | 112.2 | G424 | G424-T426 PolarHBondContact O-N 2.85Š|
| 427 | N | 27.5 | Very low | 27.1 | Very low | 97 Ų | 97 | 128.1 Ų | 128.1 | 52% | 0.519 | 76% | 0.755 | S | S | . | * | | | trans | 173.4 | 120.2 | 148.9 | -121.9 | -42.6 | 0 | 0 | 0 | 109.2 | A425 T429 | A425-N427 PolarHBondContact O-N 3.18Å; N427-T429 PolarHBondContact O-N 2.9Å |
| 428 | P | 32 | Very low | 27.3 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 11.8 | -178.7 | 28.5 | -34.7 | 0 | 0 | 0 | 115.4 | | |
| 429 | T | 29.8 | Very low | 27.5 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | 7.3 | -179.7 | 48.1 | 0 | 0 | 0 | 0 | 114.8 | N427 | N427-T429 PolarHBondContact O-N 2.9Š|
| 430 | T | 23.7 | Very low | 27.8 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 64% | 0.644 | 78% | 0.781 | S | S | * | * | | | trans | -113.1 | 102.5 | -178.5 | -24.9 | 0 | 0 | 0 | 0 | 111.2 | A432 | T430-A432 PolarHBondContact O-N 3.45Å; T430-A432 VanDerWaalsContact O-N 3.11Å |
| 431 | I | 29.9 | Very low | 28.1 | Very low | 148 Ų | 148 | 130.6 Ų | 130.6 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | | | trans | -69.1 | 100 | 165.2 | -59.3 | 169.9 | 0 | 0 | 0 | 106.4 | H433 | I431-H433 PolarHBondContact O-N 2.97Š|
| 432 | A | 24.8 | Very low | 28.5 | Very low | 84 Ų | 84 | 126 Ų | 126 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | | | trans | -75 | 93.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | T430 V434 | T430-A432 PolarHBondContact O-N 3.45Å; T430-A432 VanDerWaalsContact O-N 3.11Å; A432-V434 HydrophobicContact CB-CG2 4.41Å; A432-V434 PolarHBondContact O-N 2.85Å |
| 433 | H | 25 | Very low | 28.6 | Very low | 158 Ų | 158 | 122.6 Ų | 122.6 | 73% | 0.731 | 78% | 0.775 | S | S | * | * | | | trans | -69.8 | 98 | 157.7 | -84.4 | -90.4 | 0 | 0 | 0 | 108 | I431 H435 | I431-H433 PolarHBondContact O-N 2.97Å; H433-H435 PolarHBondContact O-N 2.96Å |
| 434 | V | 28 | Very low | 28.8 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | | | trans | -88.5 | 97.2 | 169.4 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | A432 | A432-V434 HydrophobicContact CB-CG2 4.41Å; A432-V434 PolarHBondContact O-N 2.85Å |
| 435 | H | 23.8 | Very low | 28.8 | Very low | 175 Ų | 175 | 128.1 Ų | 128.1 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | -87.2 | 115.2 | 158.7 | -94.1 | -102.7 | 0 | 0 | 0 | 108.5 | H433 | H433-H435 PolarHBondContact O-N 2.96Š|
| 436 | S | 35 | Very low | 28.8 | Very low | 183 Ų | 183 | 133.3 Ų | 133.3 | 100% | 1.28 | 79% | 0.785 | S | S | * | * | | | trans | 173.3 | 0 | 134.5 | 63.1 | 0 | 0 | 0 | 0 | 109.5 | | |