| 1 | M | 60.8 | Low | 58.3 | Low | 245 Ų | 245 | 131.8 Ų | 131.8 | 100% | 1.207 | 86% | 0.859 | S | S | * | * | | | | 0 | 109.8 | 0 | -71.5 | 171.5 | -178.5 | 0 | 0 | 108.3 | | |
| 2 | N | 60.5 | Low | 57.5 | Low | 167 Ų | 167 | 128.3 Ų | 128.3 | 89% | 0.893 | 85% | 0.848 | S | S | * | * | | | trans | -160.7 | 127.4 | 144.8 | -133.3 | -35 | 0 | 0 | 0 | 108.5 | | |
| 3 | T | 67.6 | Low | 57.3 | Low | 129 Ų | 129 | 128.9 Ų | 128.9 | 79% | 0.791 | 85% | 0.848 | S | S | * | * | | | trans | -116.1 | 124.3 | -165 | 40.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 4 | A | 59 | Low | 56.7 | Low | 94 Ų | 94 | 128.8 Ų | 128.8 | 78% | 0.777 | 85% | 0.846 | S | S | * | * | | | trans | -156.5 | 112.5 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 5 | P | 60.6 | Low | 56.7 | Low | 114 Ų | 114 | 127.1 Ų | 127.1 | 74% | 0.74 | 85% | 0.847 | S | S | * | * | | | trans | -77.1 | 141.2 | 162.2 | 30.9 | -29.6 | 0 | 0 | 0 | 109.4 | A7 | P5-A7 PolarHBondContact O-N 3.16Å; P5-A7 VanDerWaalsContact O-N 3.16Å |
| 6 | P | 65.6 | Low | 56.2 | Low | 137 Ų | 137 | 123.5 Ų | 123.5 | 89% | 0.89 | 84% | 0.839 | S | S | * | * | | | trans | -68 | 115.3 | 172.1 | 27.7 | -31.5 | 0 | 0 | 0 | 109.1 | | |
| 7 | A | 56.6 | Low | 55.7 | Low | 107 Ų | 107 | 124.2 Ų | 124.2 | 88% | 0.884 | 84% | 0.838 | S | S | * | * | | | trans | -94 | 137 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P5 | P5-A7 PolarHBondContact O-N 3.16Å; P5-A7 VanDerWaalsContact O-N 3.16Å |
| 8 | G | 51 | Low | 55.7 | Low | 68 Ų | 68 | 122.5 Ų | 122.5 | 70% | 0.701 | 83% | 0.834 | S | S | * | * | | | trans | 144.4 | 67.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 9 | S | 50.4 | Low | 55.6 | Low | 115 Ų | 115 | 118.5 Ų | 118.5 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | | 68.4 | 91.3 | 98.2 | -68.9 | 0 | 0 | 0 | 0 | 114.3 | L11 | S9-L11 PolarHBondContact O-N 3.25Š|
| 10 | A | 55.2 | Low | 55.2 | Low | 107 Ų | 107 | 119.7 Ų | 119.7 | 88% | 0.884 | 82% | 0.821 | S | S | * | * | | | trans | -73 | 102.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 11 | L | 53.8 | Low | 55.3 | Low | 167 Ų | 167 | 120 Ų | 120 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | | | trans | -82.3 | 122.5 | 161.3 | -114.2 | 97.6 | 0 | 0 | 0 | 108.7 | S9 | S9-L11 PolarHBondContact O-N 3.25Š|
| 12 | A | 48.5 | Very low | 55.4 | Low | 89 Ų | 89 | 113.1 Ų | 113.1 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | | | trans | 65.6 | 96.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | P14 | A12-P14 WeakPolarHBondContact O-CD 3.34Š|
| 13 | T | 55.5 | Low | 55.4 | Low | 137 Ų | 137 | 111.6 Ų | 111.6 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | | | trans | -66.1 | 116.9 | 153 | 28.1 | 0 | 0 | 0 | 0 | 109.6 | A15 | T13-A15 PolarHBondContact O-N 3.18Š|
| 14 | P | 48.9 | Very low | 55.3 | Low | 127 Ų | 127 | 114.1 Ų | 114.1 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -68.8 | 117.1 | 163.3 | 27 | -28.4 | 0 | 0 | 0 | 107.5 | A12 G16 | A12-P14 WeakPolarHBondContact O-CD 3.34Å; P14-G16 VanDerWaalsContact C-N 3.27Å; P14-G16 PolarHBondContact O-N 2.84Å |
| 15 | A | 56.1 | Low | 55.5 | Low | 104 Ų | 104 | 119.3 Ų | 119.3 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -65.7 | 86.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | T13 | T13-A15 PolarHBondContact O-N 3.18Š|
| 16 | G | 49.2 | Very low | 55.8 | Low | 69 Ų | 69 | 116.4 Ų | 116.4 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | -125 | 72.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | P14 A18 | P14-G16 VanDerWaalsContact C-N 3.27Å; P14-G16 PolarHBondContact O-N 2.84Å; G16-A18 PolarHBondContact O-N 2.95Å |
| 17 | T | 47.7 | Very low | 56.3 | Low | 136 Ų | 136 | 115.6 Ų | 115.6 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | | | trans | -40.8 | 123.8 | 176.4 | -52.9 | 0 | 0 | 0 | 0 | 110.8 | G19 | T17-G19 PolarHBondContact O-N 3.26Š|
| 18 | A | 56.4 | Low | 57.2 | Low | 93 Ų | 93 | 116.5 Ų | 116.5 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | trans | -39.2 | 105 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G16 | G16-A18 PolarHBondContact O-N 2.95Š|
| 19 | G | 52.9 | Low | 58.2 | Low | 46 Ų | 46 | 122.5 Ų | 122.5 | 47% | 0.474 | 78% | 0.784 | S | S | . | * | | | trans | -64.7 | 162.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | T17 T21 | T17-G19 PolarHBondContact O-N 3.26Å; G19-T21 PolarHBondContact O-N 2.82Å |
| 20 | P | 47.6 | Very low | 59.3 | Low | 142 Ų | 142 | 126.3 Ų | 126.3 | 92% | 0.922 | 79% | 0.786 | S | S | * | * | | | trans | -64 | 98.4 | -176.6 | 25.6 | -32.6 | 0 | 0 | 0 | 110.5 | T22 | P20-T22 PolarHBondContact O-N 3.26Š|
| 21 | T | 58.1 | Low | 60.2 | Low | 127 Ų | 127 | 130.1 Ų | 130.1 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | trans | -80.6 | 113.3 | 171.3 | 59.1 | 0 | 0 | 0 | 0 | 107.9 | G19 | G19-T21 PolarHBondContact O-N 2.82Š|
| 22 | T | 63.1 | Low | 61.1 | Low | 100 Ų | 100 | 130.8 Ų | 130.8 | 61% | 0.613 | 78% | 0.781 | S | S | * | * | | | trans | -59.4 | 146.8 | 166.5 | 53.3 | 0 | 0 | 0 | 0 | 109.1 | P20 K24 | P20-T22 PolarHBondContact O-N 3.26Å; T22-K24 PolarHBondContact O-N 3.46Å |
| 23 | P | 59.8 | Low | 62.4 | Low | 135 Ų | 135 | 137.9 Ų | 137.9 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | trans | -70.6 | 82.1 | -177.2 | 28 | -32.9 | 0 | 0 | 0 | 109.5 | K25 | P23-K25 PolarHBondContact O-N 2.79Š|
| 24 | K | 64.5 | Low | 62.8 | Low | 183 Ų | 183 | 139.9 Ų | 139.9 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | | | trans | -74.4 | 115.4 | 166.9 | -76 | -178.1 | 178.7 | 166.8 | 0 | 106.1 | T22 G26 | T22-K24 PolarHBondContact O-N 3.46Å; K24-G26 PolarHBondContact O-N 3.42Å |
| 25 | K | 64.5 | Low | 63.4 | Low | 203 Ų | 203 | 139.8 Ų | 139.8 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | | | trans | -15.5 | 116.1 | 171.8 | -163.8 | 174.3 | -169.8 | 174.9 | 0 | 110.6 | P23 | P23-K25 PolarHBondContact O-N 2.79Š|
| 26 | G | 67.3 | Low | 63.8 | Low | 52 Ų | 52 | 146 Ų | 146 | 54% | 0.536 | 79% | 0.788 | S | S | . | * | | | trans | -49.7 | 165.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | K24 | K24-G26 PolarHBondContact O-N 3.42Š|
| 27 | P | 74.5 | Confident | 64.6 | Low | 121 Ų | 121 | 148.2 Ų | 148.2 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -41.6 | 130.9 | -169.4 | -29.6 | 33.2 | 0 | 0 | 0 | 111.8 | K29 | P27-K29 PolarHBondContact O-N 3.49Å; P27-K29 VanDerWaalsContact O-N 3.09Å |
| 28 | P | 75.4 | Confident | 64.9 | Low | 126 Ų | 126 | 150.5 Ų | 150.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -50.2 | 123.6 | -175.8 | -26.3 | 32.9 | 0 | 0 | 0 | 110.2 | F30 | P28-F30 PolarHBondContact O-N 2.87Š|
| 29 | K | 73.3 | Confident | 65.2 | Low | 193 Ų | 193 | 155.5 Ų | 155.5 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | trans | -58 | 116.4 | 174.9 | -101.4 | 168.4 | 175.3 | 163.4 | 0 | 108.2 | P27 K31 | P27-K29 PolarHBondContact O-N 3.49Å; P27-K29 VanDerWaalsContact O-N 3.09Å; K29-K31 PolarHBondContact O-N 3.23Å |
| 30 | F | 73.5 | Confident | 65.4 | Low | 196 Ų | 196 | 157 Ų | 157 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -57.7 | 111.3 | 176.1 | -176.6 | -103.6 | 0 | 0 | 0 | 108.7 | P28 | P28-F30 PolarHBondContact O-N 2.87Š|
| 31 | K | 73.4 | Confident | 65.8 | Low | 187 Ų | 187 | 160.2 Ų | 160.2 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | trans | -96.7 | 117.6 | 172.9 | -73.2 | -177.6 | -179.9 | -177 | 0 | 107.4 | K29 R33 | K29-K31 PolarHBondContact O-N 3.23Å; K31-R33 PolarHBondContact O-N 3.38Å; K31-R33 VanDerWaalsContact O-N 3.12Å |
| 32 | Q | 72.8 | Confident | 65.6 | Low | 180 Ų | 180 | 158.6 Ų | 158.6 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | | | trans | -59.5 | 115.2 | 171.7 | -175.1 | 175.7 | -2.8 | 0 | 0 | 108.9 | | |
| 33 | R | 75.2 | Confident | 65.1 | Low | 238 Ų | 238 | 158.8 Ų | 158.8 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 132 | 178.9 | -178.8 | 178 | -102.5 | -159.6 | -3.9 | 109 | K31 | K31-R33 PolarHBondContact O-N 3.38Å; K31-R33 VanDerWaalsContact O-N 3.12Å |
| 34 | Q | 64.6 | Low | 64.7 | Low | 179 Ų | 179 | 160.9 Ų | 160.9 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 133.6 | 175 | -163.9 | 175.2 | 25.5 | 0 | 0 | 110.1 | | |
| 35 | T | 62.3 | Low | 64.2 | Low | 126 Ų | 126 | 158.7 Ų | 158.7 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 129.3 | 179.3 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 36 | R | 64.5 | Low | 63.8 | Low | 234 Ų | 234 | 153.1 Ų | 153.1 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -102.6 | 113.3 | 171.8 | -68.8 | 178.8 | 71.6 | -147.5 | 3.7 | 107.4 | F38 | R36-F38 PolarHBondContact O-N 3.21Š|
| 37 | T | 64.5 | Low | 63.2 | Low | 115 Ų | 115 | 157.9 Ų | 157.9 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | | | trans | -66.9 | 121.2 | 174.7 | 18.4 | 0 | 0 | 0 | 0 | 110.2 | K39 | T37-K39 PolarHBondContact O-N 3.29Å; T37-K39 VanDerWaalsContact O-N 3.1Å |
| 38 | F | 55.9 | Low | 62.4 | Low | 185 Ų | 185 | 162.5 Ų | 162.5 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | | | trans | -69.1 | 102.7 | 177.8 | -176.3 | -110.2 | 0 | 0 | 0 | 109.3 | R36 S40 | R36-F38 PolarHBondContact O-N 3.21Å; F38-S40 WeakPolarHBondContact CE1-OG 3.4Å |
| 39 | K | 61.6 | Low | 61.4 | Low | 197 Ų | 197 | 158.8 Ų | 158.8 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | | | trans | -92.7 | 93.4 | 176.3 | -75.5 | 169 | 176.5 | 170.9 | 0 | 108.8 | T37 | T37-K39 PolarHBondContact O-N 3.29Å; T37-K39 VanDerWaalsContact O-N 3.1Å |
| 40 | S | 57.3 | Low | 60.5 | Low | 79 Ų | 79 | 154.6 Ų | 154.6 | 55% | 0.552 | 78% | 0.778 | S | S | * | * | | | trans | -124.3 | 140.5 | 168.7 | 65.8 | 0 | 0 | 0 | 0 | 111.9 | F38 | F38-S40 WeakPolarHBondContact CE1-OG 3.4Š|
| 41 | K | 55.9 | Low | 59.3 | Low | 209 Ų | 209 | 148.9 Ų | 148.9 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 163.5 | 172.8 | -116.5 | 177.1 | -179.9 | 176.7 | 0 | 111.4 | | |
| 42 | A | 53.4 | Low | 58.4 | Low | 92 Ų | 92 | 147.1 Ų | 147.1 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 139.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 43 | P | 52 | Low | 57.6 | Low | 104 Ų | 104 | 144.9 Ų | 144.9 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 159.4 | 177.6 | 29 | -31.9 | 0 | 0 | 0 | 112.7 | | |
| 44 | K | 52.3 | Low | 56.2 | Low | 179 Ų | 179 | 137.2 Ų | 137.2 | 78% | 0.778 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -85 | 158.3 | -176.3 | -76.8 | 178.8 | -178.9 | 167.1 | 0 | 112.9 | G46 | K44-G46 PolarHBondContact O-N 3.43Š|
| 45 | P | 53.4 | Low | 55.9 | Low | 137 Ų | 137 | 134.1 Ų | 134.1 | 89% | 0.89 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 129.9 | -166.3 | -12.3 | 27.7 | 0 | 0 | 0 | 112.2 | | |
| 46 | G | 55.9 | Low | 55.7 | Low | 87 Ų | 87 | 131.6 Ų | 131.6 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 110.7 | -9.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | K44 K48 | K44-G46 PolarHBondContact O-N 3.43Å; G46-K48 PolarHBondContact O-N 3.44Å |
| 47 | Q | 54.7 | Low | 55 | Low | 151 Ų | 151 | 125.1 Ų | 125.1 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | | | trans | -78.7 | 104.9 | 167.1 | -171.6 | 169.8 | -30.3 | 0 | 0 | 108.4 | G49 | Q47-G49 PolarHBondContact O-N 2.87Š|
| 48 | K | 58.3 | Low | 54.5 | Low | 219 Ų | 219 | 125.3 Ų | 125.3 | 95% | 0.952 | 71% | 0.712 | S | S | * | * | | | trans | -70.8 | 75.4 | 171.5 | -167.6 | 176.8 | -177.8 | -176.4 | 0 | 108.7 | G46 | G46-K48 PolarHBondContact O-N 3.44Š|
| 49 | G | 53.9 | Low | 54.3 | Low | 47 Ų | 47 | 118.2 Ų | 118.2 | 49% | 0.485 | 69% | 0.692 | S | S | . | * | | | trans | -98.5 | 142.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q47 | Q47-G49 PolarHBondContact O-N 2.87Š|
| 50 | F | 55.4 | Low | 53.8 | Low | 106 Ų | 106 | 112 Ų | 112 | 47% | 0.465 | 67% | 0.668 | S | S | . | * | | | trans | 29.3 | 83.9 | 171.5 | -69.4 | -66.3 | 0 | 0 | 0 | 117.8 | D52 E58 G59 G61 | F50-D52 PolarHBondContact O-N 3.48Å; F50-E58 WeakPolarHBondContact CD1-O 3.29Å; F50-E58 WeakPolarHBondContact CD2-O 3.37Å; F50-E58 WeakPolarHBondContact CE1-O 3.42Å; F50-E58 WeakPolarHBondContact CE2-O 2.95Å; F50-E58 VanDerWaalsContact CG-C 3.41Å; F50-E58 WeakPolarHBondContact CG-O 3.12Å; F50-G59 VanDerWaalsContact CD1-N 3.32Å; F50-G59 WeakPolarHBondContact CE1-O 3.11Å; F50-G59 WeakPolarHBondContact CZ-O 3.38Å; F50-G61 VanDerWaalsContact CE1-N 3.27Å |
| 51 | G | 48.8 | Very low | 53.2 | Low | 76 Ų | 76 | 110.3 Ų | 110.3 | 78% | 0.784 | 66% | 0.662 | S | S | * | * | | | trans | -67.4 | 113.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 52 | D | 53.3 | Low | 53 | Low | 149 Ų | 149 | 106.5 Ų | 106.5 | 80% | 0.797 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 45.4 | 104.3 | 155.8 | -91.1 | -84.5 | 0 | 0 | 0 | 119.7 | F50 | F50-D52 PolarHBondContact O-N 3.48Š|
| 53 | D | 56.8 | Low | 52.8 | Low | 134 Ų | 134 | 107.1 Ų | 107.1 | 72% | 0.717 | 65% | 0.647 | S | S | * | * | | | | 87.2 | 53 | 129.4 | -134.2 | -7.7 | 0 | 0 | 0 | 118.4 | | |
| 54 | I | 46.2 | Very low | 52.7 | Low | 76 Ų | 76 | 106.2 Ų | 106.2 | 39% | 0.39 | 64% | 0.636 | S | S | . | * | | | trans | -133.4 | 105.4 | 155.5 | -53.2 | -176.8 | 0 | 0 | 0 | 111.4 | G56 M57 E58 | I54-G56 PolarHBondContact O-N 3.42Å; I54-M57 HydrophobicContact CB-CB 3.68Å; I54-M57 HydrophobicContact CD1-CB 3.89Å; I54-M57 HydrophobicContact CD1-CE 3.8Å; I54-M57 HydrophobicContact CG1-CB 4.34Å; I54-M57 HydrophobicContact CG2-CB 3.41Å; I54-M57 VanDerWaalsContact CG2-CB 3.41Å; I54-M57 PolarHBondContact O-N 2.7Å; I54-E58 PolarHBondContact O-N 3.2Å; I54-E58 VanDerWaalsContact O-N 3.09Å |
| 55 | P | 57.7 | Low | 52.4 | Low | 115 Ų | 115 | 102 Ų | 102 | 75% | 0.747 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | 99.2 | 158.4 | -13.7 | 27.8 | 0 | 0 | 0 | 108.7 | E58 | P55-E58 VanDerWaalsContact CA-OE1 3.29Å; P55-E58 WeakPolarHBondContact CA-OE1 3.18Å |
| 56 | G | 57.8 | Low | 52.3 | Low | 73 Ų | 73 | 100.7 Ų | 100.7 | 75% | 0.753 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112.2 | -2.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | I54 E58 | I54-G56 PolarHBondContact O-N 3.42Å; G56-E58 PolarHBondContact N-OE1 3.26Å |
| 57 | M | 50.9 | Low | 52.3 | Low | 97 Ų | 97 | 100.4 Ų | 100.4 | 48% | 0.478 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -153.8 | 22.3 | 179 | -149.8 | 143.9 | 64.6 | 0 | 0 | 115.2 | I54 G59 L60 | I54-M57 HydrophobicContact CB-CB 3.68Å; I54-M57 HydrophobicContact CD1-CB 3.89Å; I54-M57 HydrophobicContact CD1-CE 3.8Å; I54-M57 HydrophobicContact CG1-CB 4.34Å; I54-M57 HydrophobicContact CG2-CB 3.41Å; I54-M57 VanDerWaalsContact CG2-CB 3.41Å; I54-M57 PolarHBondContact O-N 2.7Å; M57-G59 PolarHBondContact O-N 3.09Å; M57-L60 HydrophobicContact CG-CB 4.3Å; M57-L60 HydrophobicContact CG-CD1 3.27Å; M57-L60 HydrophobicContact CG-CD2 4.39Å; M57-L60 HydrophobicContact CG-CG 3.44Å; M57-L60 VanDerWaalsContact CG-CG 3.44Å; M57-L60 HydrophobicContact SD-CD1 3.38Å; M57-L60 WeakPolarHBondContact SD-CD1 3.09Å; M57-L60 HydrophobicContact SD-CG 4.25Å |
| 58 | E | 52.5 | Low | 52 | Low | 119 Ų | 119 | 94.5 Ų | 94.5 | 56% | 0.556 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 41.2 | 167.7 | 52.9 | -141.1 | 129.3 | 0 | 0 | 113 | F50 I54 P55 G56 | F50-E58 WeakPolarHBondContact CD1-O 3.29Å; F50-E58 WeakPolarHBondContact CD2-O 3.37Å; F50-E58 WeakPolarHBondContact CE1-O 3.42Å; F50-E58 WeakPolarHBondContact CE2-O 2.95Å; F50-E58 VanDerWaalsContact CG-C 3.41Å; F50-E58 WeakPolarHBondContact CG-O 3.12Å; I54-E58 PolarHBondContact O-N 3.2Å; I54-E58 VanDerWaalsContact O-N 3.09Å; P55-E58 VanDerWaalsContact CA-OE1 3.29Å; P55-E58 WeakPolarHBondContact CA-OE1 3.18Å; G56-E58 PolarHBondContact N-OE1 3.26Å |
| 59 | G | 52.1 | Low | 51.5 | Low | 37 Ų | 37 | 87.7 Ų | 87.7 | 38% | 0.381 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -137.7 | -12.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | F50 M57 | F50-G59 VanDerWaalsContact CD1-N 3.32Å; F50-G59 WeakPolarHBondContact CE1-O 3.11Å; F50-G59 WeakPolarHBondContact CZ-O 3.38Å; M57-G59 PolarHBondContact O-N 3.09Å |
| 60 | L | 50.5 | Low | 51.2 | Low | 67 Ų | 67 | 94.3 Ų | 94.3 | 35% | 0.351 | 57% | 0.568 | S | S | . | * | | | trans | -112.5 | 61.2 | -174 | -40.9 | -168 | 0 | 0 | 0 | 111.7 | M57 T62 I64 | M57-L60 HydrophobicContact CG-CB 4.3Å; M57-L60 HydrophobicContact CG-CD1 3.27Å; M57-L60 HydrophobicContact CG-CD2 4.39Å; M57-L60 HydrophobicContact CG-CG 3.44Å; M57-L60 VanDerWaalsContact CG-CG 3.44Å; M57-L60 HydrophobicContact SD-CD1 3.38Å; M57-L60 WeakPolarHBondContact SD-CD1 3.09Å; M57-L60 HydrophobicContact SD-CG 4.25Å; L60-T62 PolarHBondContact O-N 3.27Å; L60-I64 HydrophobicContact CB-CB 3.72Å; L60-I64 HydrophobicContact CB-CD1 4.22Å; L60-I64 HydrophobicContact CB-CG1 4.31Å; L60-I64 HydrophobicContact CD1-CB 3.72Å; L60-I64 HydrophobicContact CD1-CG2 3.7Å; L60-I64 HydrophobicContact CD2-CB 3.51Å; L60-I64 HydrophobicContact CD2-CD1 3.09Å; L60-I64 HydrophobicContact CD2-CG1 3.79Å; L60-I64 HydrophobicContact CD2-CG2 3.61Å; L60-I64 HydrophobicContact CG-CB 3.75Å; L60-I64 HydrophobicContact CG-CD1 4.07Å; L60-I64 HydrophobicContact CG-CG1 4.4Å; L60-I64 HydrophobicContact CG-CG2 4.1Å |
| 61 | G | 46.4 | Very low | 50.9 | Low | 43 Ų | 43 | 95.8 Ų | 95.8 | 44% | 0.443 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -65.7 | 105.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | F50 D63 | F50-G61 VanDerWaalsContact CE1-N 3.27Å; G61-D63 PolarHBondContact O-N 3.26Å |
| 62 | T | 51.8 | Low | 51 | Low | 128 Ų | 128 | 95.2 Ų | 95.2 | 79% | 0.785 | 56% | 0.564 | S | S | * | * | S | Bend | trans | 54.6 | -12.3 | 174.1 | 54.3 | 0 | 0 | 0 | 0 | 119 | L60 | L60-T62 PolarHBondContact O-N 3.27Š|
| 63 | D | 49 | Very low | 50.7 | Low | 105 Ų | 105 | 97 Ų | 97 | 56% | 0.561 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -120.1 | -9.7 | -164 | -85.7 | -5.8 | 0 | 0 | 0 | 117 | G61 V66 V67 | G61-D63 PolarHBondContact O-N 3.26Å; D63-V66 PolarHBondContact O-N 3.4Å; D63-V67 PolarHBondContact O-N 3.01Å; D63-V67 VanDerWaalsContact O-N 3.12Å |
| 64 | I | 48.4 | Very low | 50.4 | Low | 85 Ų | 85 | 93.2 Ų | 93.2 | 44% | 0.436 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.2 | -6.7 | -179.1 | -60.6 | 164 | 0 | 0 | 0 | 113.4 | L60 | L60-I64 HydrophobicContact CB-CB 3.72Å; L60-I64 HydrophobicContact CB-CD1 4.22Å; L60-I64 HydrophobicContact CB-CG1 4.31Å; L60-I64 HydrophobicContact CD1-CB 3.72Å; L60-I64 HydrophobicContact CD1-CG2 3.7Å; L60-I64 HydrophobicContact CD2-CB 3.51Å; L60-I64 HydrophobicContact CD2-CD1 3.09Å; L60-I64 HydrophobicContact CD2-CG1 3.79Å; L60-I64 HydrophobicContact CD2-CG2 3.61Å; L60-I64 HydrophobicContact CG-CB 3.75Å; L60-I64 HydrophobicContact CG-CD1 4.07Å; L60-I64 HydrophobicContact CG-CG1 4.4Å; L60-I64 HydrophobicContact CG-CG2 4.1Å |
| 65 | A | 46.5 | Very low | 50.8 | Low | 91 Ų | 91 | 97.1 Ų | 97.1 | 75% | 0.752 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -13 | 159.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 66 | V | 51.7 | Low | 50.5 | Low | 109 Ų | 109 | 96 Ų | 96 | 66% | 0.661 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -25.3 | -176.5 | -176.6 | 0 | 0 | 0 | 0 | 112.1 | D63 | D63-V66 PolarHBondContact O-N 3.4Š|
| 67 | V | 56.1 | Low | 50.4 | Low | 82 Ų | 82 | 99.4 Ų | 99.4 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -113 | 84.5 | 165.7 | -172.4 | 0 | 0 | 0 | 0 | 108.4 | D63 P69 A72 | D63-V67 PolarHBondContact O-N 3.01Å; D63-V67 VanDerWaalsContact O-N 3.12Å; V67-P69 WeakPolarHBondContact O-CD 3.44Å; V67-P69 VanDerWaalsContact O-N 3.11Å; V67-A72 HydrophobicContact CG1-CB 4.03Å |
| 68 | C | 48.5 | Very low | 50.7 | Low | 26 Ų | 26 | 101.2 Ų | 101.2 | 18% | 0.176 | 57% | 0.569 | C | S | . | * | | | trans | -53.5 | 113.2 | 160.1 | -83.3 | 0 | 0 | 0 | 0 | 107.9 | W70 E71 A72 | C68-W70 HydrophobicContact CB-CD2 4.46Å; C68-W70 HydrophobicContact CB-CG 4.49Å; C68-W70 HydrophobicContact CB-CZ2 4.34Å; C68-W70 PolarHBondContact O-N 3.37Å; C68-W70 VanDerWaalsContact O-N 3.17Å; C68-E71 HydrophobicContact CB-CB 3.25Å; C68-E71 HydrophobicContact CB-CG 4.22Å; C68-E71 VanDerWaalsContact CB-OE2 3.29Å; C68-E71 WeakPolarHBondContact CB-OE2 3.42Å; C68-E71 WeakPolarHBondContact O-CA 2.99Å; C68-E71 WeakPolarHBondContact O-CB 2.87Å; C68-E71 PolarHBondContact O-N 2.8Å; C68-E71 PolarHBondContact SG-OE2 3.48Å; C68-A72 PolarHBondContact O-N 3.17Å |
| 69 | P | 46.8 | Very low | 51 | Low | 76 Ų | 76 | 99.4 Ų | 99.4 | 49% | 0.494 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.6 | -24.7 | -175.4 | -21.7 | 33.9 | 0 | 0 | 0 | 112.5 | V67 | V67-P69 WeakPolarHBondContact O-CD 3.44Å; V67-P69 VanDerWaalsContact O-N 3.11Å |
| 70 | W | 47.6 | Very low | 51.6 | Low | 187 Ų | 187 | 100.2 Ų | 100.2 | 71% | 0.708 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -10.7 | 170.1 | 54.7 | 72.8 | 0 | 0 | 0 | 113.9 | C68 G74 | C68-W70 HydrophobicContact CB-CD2 4.46Å; C68-W70 HydrophobicContact CB-CG 4.49Å; C68-W70 HydrophobicContact CB-CZ2 4.34Å; C68-W70 PolarHBondContact O-N 3.37Å; C68-W70 VanDerWaalsContact O-N 3.17Å; W70-G74 WeakPolarHBondContact O-CA 3.4Å; W70-G74 PolarHBondContact O-N 3.27Å |
| 71 | E | 50.2 | Low | 52.2 | Low | 136 Ų | 136 | 99.5 Ų | 99.5 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -30.6 | 179.4 | -157.3 | 170.9 | 133.9 | 0 | 0 | 110.2 | C68 Y73 G74 | C68-E71 HydrophobicContact CB-CB 3.25Å; C68-E71 HydrophobicContact CB-CG 4.22Å; C68-E71 VanDerWaalsContact CB-OE2 3.29Å; C68-E71 WeakPolarHBondContact CB-OE2 3.42Å; C68-E71 WeakPolarHBondContact O-CA 2.99Å; C68-E71 WeakPolarHBondContact O-CB 2.87Å; C68-E71 PolarHBondContact O-N 2.8Å; C68-E71 PolarHBondContact SG-OE2 3.48Å; E71-Y73 PolarHBondContact O-N 3.12Å; E71-G74 PolarHBondContact O-N 3.01Å |
| 72 | A | 49.6 | Very low | 52.8 | Low | 65 Ų | 65 | 100.4 Ų | 100.4 | 54% | 0.537 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.8 | -12.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114 | V67 C68 | V67-A72 HydrophobicContact CG1-CB 4.03Å; C68-A72 PolarHBondContact O-N 3.17Å |
| 73 | Y | 48.2 | Very low | 53.2 | Low | 186 Ų | 186 | 101.9 Ų | 101.9 | 73% | 0.729 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.8 | 8.2 | 170.4 | -70.9 | -82.1 | 0 | 0 | 0 | 113.2 | E71 | E71-Y73 PolarHBondContact O-N 3.12Š|
| 74 | G | 49.8 | Very low | 53.9 | Low | 55 Ų | 55 | 105 Ų | 105 | 57% | 0.567 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -14.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | W70 E71 M76 | W70-G74 WeakPolarHBondContact O-CA 3.4Å; W70-G74 PolarHBondContact O-N 3.27Å; E71-G74 PolarHBondContact O-N 3.01Å; G74-M76 VanDerWaalsContact C-N 3.35Å |
| 75 | D | 54 | Low | 54.3 | Low | 158 Ų | 158 | 103.7 Ų | 103.7 | 85% | 0.845 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 7.6 | 173.1 | -160 | 61.9 | 0 | 0 | 0 | 112.5 | | |
| 76 | M | 51.6 | Low | 55.1 | Low | 91 Ų | 91 | 105.4 Ų | 105.4 | 45% | 0.448 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -95.4 | 98.1 | 162.9 | -154.8 | 171.1 | 158 | 0 | 0 | 106.3 | G74 L78 D80 L81 | G74-M76 VanDerWaalsContact C-N 3.35Å; M76-L78 PolarHBondContact O-N 3.02Å; M76-D80 HydrophobicContact CE-CB 4.28Å; M76-L81 HydrophobicContact CB-CD1 4.49Å; M76-L81 HydrophobicContact CE-CD1 4.47Å; M76-L81 HydrophobicContact CG-CD1 4.31Å |
| 77 | E | 55.8 | Low | 55.2 | Low | 145 Ų | 145 | 107.3 Ų | 107.3 | 68% | 0.678 | 57% | 0.573 | S | S | * | * | | | trans | -43.3 | 130.1 | -176.8 | -67.9 | -169.8 | 106.7 | 0 | 0 | 110.3 | S79 D80 | E77-S79 PolarHBondContact O-N 2.94Å; E77-D80 PolarHBondContact O-N 3.09Å |
| 78 | L | 57.3 | Low | 55.2 | Low | 135 Ų | 135 | 108.6 Ų | 108.6 | 71% | 0.707 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -47.3 | -26.9 | 175.9 | -143.3 | 71.5 | 0 | 0 | 0 | 112.5 | M76 D80 L81 A82 I87 | M76-L78 PolarHBondContact O-N 3.02Å; L78-D80 VanDerWaalsContact C-N 3.32Å; L78-D80 PolarHBondContact O-N 2.93Å; L78-L81 PolarHBondContact O-N 2.91Å; L78-A82 PolarHBondContact O-N 2.7Å; L78-I87 HydrophobicContact CD1-CD1 4.48Å; L78-I87 HydrophobicContact CG-CD1 4.09Å |
| 79 | S | 60.2 | Low | 55.5 | Low | 81 Ų | 81 | 112.9 Ų | 112.9 | 57% | 0.566 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -53.6 | -37.3 | 171.1 | -53.2 | 0 | 0 | 0 | 0 | 114.7 | E77 K83 | E77-S79 PolarHBondContact O-N 2.94Å; S79-K83 PolarHBondContact O-N 2.84Å |
| 80 | D | 64.5 | Low | 56 | Low | 54 Ų | 54 | 114.9 Ų | 114.9 | 29% | 0.289 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -84 | -31.9 | -176 | -135.9 | 33.8 | 0 | 0 | 0 | 111.5 | M76 E77 L78 K83 Y84 | M76-D80 HydrophobicContact CE-CB 4.28Å; E77-D80 PolarHBondContact O-N 3.09Å; L78-D80 VanDerWaalsContact C-N 3.32Å; L78-D80 PolarHBondContact O-N 2.93Å; D80-K83 WeakPolarHBondContact O-CB 3.29Å; D80-K83 PolarHBondContact O-N 3.34Å; D80-K83 WeakPolarHBondContact OD1-CD 3.06Å; D80-K83 IonicContact OD1-NZ 3.62Å; D80-Y84 WeakPolarHBondContact O-CD2 2.97Å |
| 81 | L | 61.8 | Low | 56.5 | Low | 51 Ų | 51 | 110.7 Ų | 110.7 | 27% | 0.267 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.9 | -35.7 | 172.3 | -82.3 | 76.4 | 0 | 0 | 0 | 112.3 | M76 L78 K83 Y84 G85 I86 I87 | M76-L81 HydrophobicContact CB-CD1 4.49Å; M76-L81 HydrophobicContact CE-CD1 4.47Å; M76-L81 HydrophobicContact CG-CD1 4.31Å; L78-L81 PolarHBondContact O-N 2.91Å; L81-K83 PolarHBondContact O-N 3.29Å; L81-Y84 PolarHBondContact O-N 2.79Å; L81-G85 PolarHBondContact O-N 3.49Å; L81-I86 PolarHBondContact O-N 3.33Å; L81-I87 HydrophobicContact CB-CD1 3.82Å; L81-I87 HydrophobicContact CB-CG1 3.98Å |
| 82 | A | 60.1 | Low | 56.9 | Low | 62 Ų | 62 | 109.1 Ų | 109.1 | 51% | 0.512 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.3 | -30.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L78 Y84 G85 I87 | L78-A82 PolarHBondContact O-N 2.7Å; A82-Y84 VanDerWaalsContact C-N 3.29Å; A82-Y84 PolarHBondContact O-N 3.12Å; A82-G85 PolarHBondContact O-N 3.3Å; A82-I87 HydrophobicContact CB-CD1 4.46Å |
| 83 | K | 59.7 | Low | 57.4 | Low | 160 Ų | 160 | 112.1 Ų | 112.1 | 70% | 0.696 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.1 | -32.4 | 177.1 | -130.7 | 171.5 | -166.1 | 158.8 | 0 | 112.9 | S79 D80 L81 | S79-K83 PolarHBondContact O-N 2.84Å; D80-K83 WeakPolarHBondContact O-CB 3.29Å; D80-K83 PolarHBondContact O-N 3.34Å; D80-K83 WeakPolarHBondContact OD1-CD 3.06Å; D80-K83 IonicContact OD1-NZ 3.62Å; L81-K83 PolarHBondContact O-N 3.29Å |
| 84 | Y | 62.9 | Low | 58 | Low | 169 Ų | 169 | 106.8 Ų | 106.8 | 66% | 0.663 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 0.6 | 178.4 | -64.5 | -72.1 | 0 | 0 | 0 | 113.5 | D80 L81 A82 I86 | D80-Y84 WeakPolarHBondContact O-CD2 2.97Å; L81-Y84 PolarHBondContact O-N 2.79Å; A82-Y84 VanDerWaalsContact C-N 3.29Å; A82-Y84 PolarHBondContact O-N 3.12Å; Y84-I86 PolarHBondContact O-N 3.1Å |
| 85 | G | 56.6 | Low | 58.7 | Low | 59 Ų | 59 | 110.8 Ų | 110.8 | 61% | 0.608 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.1 | 26.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L81 A82 I87 | L81-G85 PolarHBondContact O-N 3.49Å; A82-G85 PolarHBondContact O-N 3.3Å; G85-I87 VanDerWaalsContact C-N 3.31Å |
| 86 | I | 64.1 | Low | 59 | Low | 127 Ų | 127 | 106.8 Ų | 106.8 | 65% | 0.651 | 57% | 0.57 | S | S | * | * | | | trans | -79.3 | -22 | 178.8 | -61.1 | 171.9 | 0 | 0 | 0 | 110.6 | L81 Y84 | L81-I86 PolarHBondContact O-N 3.33Å; Y84-I86 PolarHBondContact O-N 3.1Å |
| 87 | I | 53.9 | Low | 59.7 | Low | 148 Ų | 148 | 108.3 Ų | 108.3 | 76% | 0.759 | 58% | 0.581 | S | S | * | * | | | trans | -119.1 | 0 | 170.5 | 47.5 | 174.9 | 0 | 0 | 0 | 110.6 | L78 L81 A82 G85 | L78-I87 HydrophobicContact CD1-CD1 4.48Å; L78-I87 HydrophobicContact CG-CD1 4.09Å; L81-I87 HydrophobicContact CB-CD1 3.82Å; L81-I87 HydrophobicContact CB-CG1 3.98Å; A82-I87 HydrophobicContact CB-CD1 4.46Å; G85-I87 VanDerWaalsContact C-N 3.31Å |