| 1 | S | 41.2 | Very low | 53.5 | Low | 178 Ų | 178 | 148.8 Ų | 148.8 | 100% | 1.245 | 81% | 0.806 | S | S | * | * | | | | 0 | 100 | 0 | 32 | 0 | 0 | 0 | 0 | 106.6 | | |
| 2 | G | 45.6 | Very low | 53.4 | Low | 63 Ų | 63 | 143.5 Ų | 143.5 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | | | trans | -92.1 | 129.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 3 | D | 49.5 | Very low | 53.1 | Low | 162 Ų | 162 | 141 Ų | 141 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | | | trans | -60.5 | 127.6 | 173.5 | -83.3 | -30.8 | 0 | 0 | 0 | 110.4 | | |
| 4 | F | 56.1 | Low | 52.8 | Low | 187 Ų | 187 | 143.8 Ų | 143.8 | 82% | 0.82 | 79% | 0.787 | S | S | * | * | | | trans | -121.8 | 64 | 170.5 | -85.6 | -84 | 0 | 0 | 0 | 108.4 | | |
| 5 | D | 60.3 | Low | 52.2 | Low | 143 Ų | 143 | 145.9 Ų | 145.9 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | | | trans | -147.2 | 94.1 | 172.3 | -70 | -61.1 | 0 | 0 | 0 | 108.6 | | |
| 6 | D | 59.8 | Low | 51.7 | Low | 152 Ų | 152 | 145.7 Ų | 145.7 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | 177.1 | 50 | 151.4 | -99 | -9.3 | 0 | 0 | 0 | 113.7 | N8 | D6-N8 PolarHBondContact O-N 3.01Š|
| 7 | F | 54.4 | Low | 51.1 | Low | 214 Ų | 214 | 142.5 Ų | 142.5 | 94% | 0.939 | 79% | 0.786 | S | S | * | * | | | trans | -89.2 | 88.7 | 161.9 | -74.5 | -74.4 | 0 | 0 | 0 | 109.1 | | |
| 8 | N | 60.7 | Low | 50.6 | Low | 102 Ų | 102 | 140.6 Ų | 140.6 | 55% | 0.545 | 78% | 0.784 | S | S | . | * | | | trans | -87.7 | 125.3 | -178.2 | -146.3 | -15.6 | 0 | 0 | 0 | 111.1 | D6 E10 | D6-N8 PolarHBondContact O-N 3.01Å; N8-E10 HydrophobicContact CB-CG 4.07Å; N8-E10 PolarHBondContact ND2-OE1 3.47Å; N8-E10 PolarHBondContact O-N 3.42Å; N8-E10 WeakPolarHBondContact OD1-CG 3.41Å; N8-E10 PolarHBondContact OD1-OE1 3.32Å; N8-E10 VanDerWaalsContact OD1-OE1 3.13Å |
| 9 | L | 52 | Low | 49.9 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 25.3 | -172.7 | -161.5 | 73.1 | 0 | 0 | 0 | 113 | | |
| 10 | E | 55.1 | Low | 49.7 | Very low | 142 Ų | 142 | 144.2 Ų | 144.2 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | -5.9 | -176.4 | 35.2 | -166.1 | 175.4 | 0 | 0 | 113.8 | N8 | N8-E10 HydrophobicContact CB-CG 4.07Å; N8-E10 PolarHBondContact ND2-OE1 3.47Å; N8-E10 PolarHBondContact O-N 3.42Å; N8-E10 WeakPolarHBondContact OD1-CG 3.41Å; N8-E10 PolarHBondContact OD1-OE1 3.32Å; N8-E10 VanDerWaalsContact OD1-OE1 3.13Å |
| 11 | D | 54.2 | Low | 49.3 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -92 | -11.5 | 173 | -164 | 39.7 | 0 | 0 | 0 | 113.8 | | |
| 12 | A | 51.9 | Low | 49.3 | Very low | 85 Ų | 85 | 140.3 Ų | 140.3 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -88.3 | -12.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 13 | V | 49.7 | Very low | 48.7 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 67% | 0.673 | 76% | 0.763 | S | S | * | * | | | trans | -115.9 | 82.2 | 179.1 | -85.4 | 0 | 0 | 0 | 0 | 110.4 | E15 | V13-E15 VanDerWaalsContact C-N 3.31Å; V13-E15 PolarHBondContact O-N 2.62Å |
| 14 | K | 49.3 | Very low | 48.2 | Very low | 180 Ų | 180 | 146.1 Ų | 146.1 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | | | trans | -66.7 | 94.7 | 161.2 | -72.6 | 179.3 | -178 | 166.1 | 0 | 108.7 | T16 | K14-T16 PolarHBondContact O-N 3.13Š|
| 15 | E | 43.8 | Very low | 47.6 | Very low | 175 Ų | 175 | 145.8 Ų | 145.8 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | -53 | 111.7 | 160.2 | -75.8 | -176.5 | 133.9 | 0 | 0 | 109.5 | V13 | V13-E15 VanDerWaalsContact C-N 3.31Å; V13-E15 PolarHBondContact O-N 2.62Å |
| 16 | T | 43.9 | Very low | 46.7 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | | | trans | -104.2 | 74.9 | 159.6 | 58.1 | 0 | 0 | 0 | 0 | 108.1 | K14 | K14-T16 PolarHBondContact O-N 3.13Š|
| 17 | S | 41.2 | Very low | 45.7 | Very low | 92 Ų | 92 | 143.6 Ų | 143.6 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | | | trans | -93.5 | 132.9 | 170.1 | 69.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 18 | S | 42.3 | Very low | 44.9 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | | | trans | 61.7 | 98.4 | 150.5 | -71.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 19 | I | 37.9 | Very low | 44 | Very low | 178 Ų | 178 | 140.4 Ų | 140.4 | 91% | 0.913 | 76% | 0.755 | S | S | * | * | | | trans | -127.5 | 120 | 135.3 | -66.1 | 174.4 | 0 | 0 | 0 | 108.1 | | |
| 20 | K | 44.5 | Very low | 43.1 | Very low | 175 Ų | 175 | 137.7 Ų | 137.7 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | | | trans | -111.7 | 134 | -175.6 | -111.6 | -166.4 | -178.8 | -175.6 | 0 | 109.4 | | |
| 21 | Q | 41 | Very low | 42.6 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 64% | 0.64 | 75% | 0.749 | S | S | * | * | | | trans | 76.7 | 162.5 | 158.4 | -45.4 | -54.9 | -59.3 | 0 | 0 | 117.2 | | |
| 22 | P | 42.7 | Very low | 42.1 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | | | cis | -138.7 | 164.1 | 0 | 19.9 | 6.9 | 0 | 0 | 0 | 117.4 | | |
| 23 | W | 32 | Very low | 41.6 | Very low | 215 Ų | 215 | 142.8 Ų | 142.8 | 81% | 0.814 | 75% | 0.753 | S | S | * | * | | | trans | 37.5 | 135.8 | 143.5 | -59.6 | 102.3 | 0 | 0 | 0 | 124.9 | | |
| 24 | D | 39.6 | Very low | 41 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | | | trans | 79.8 | 98.1 | 143 | -57 | -28.9 | 0 | 0 | 0 | 122 | | |
| 25 | H | 43 | Very low | 40.6 | Very low | 181 Ų | 181 | 137 Ų | 137 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | | | | -148.7 | 109.9 | 125.3 | 53.5 | -80.4 | 0 | 0 | 0 | 110.9 | | |
| 26 | T | 42.5 | Very low | 40.8 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | | | trans | -49.7 | 137.1 | 149.5 | -55.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 27 | T | 37.5 | Very low | 40.5 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | | | trans | 172.4 | 105.5 | 135.6 | -73.5 | 0 | 0 | 0 | 0 | 111 | | |
| 28 | T | 37.8 | Very low | 40.6 | Very low | 106 Ų | 106 | 143.1 Ų | 143.1 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | | | trans | 82.7 | 93.4 | 136.8 | -51.7 | 0 | 0 | 0 | 0 | 119.6 | T30 | T28-T30 PolarHBondContact O-N 2.94Š|
| 29 | T | 41.2 | Very low | 40.7 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 87% | 0.871 | 75% | 0.753 | S | S | * | * | | | trans | -36.6 | 101.8 | 131.3 | -58.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 30 | T | 33 | Very low | 40.9 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 60% | 0.595 | 75% | 0.749 | S | S | * | * | | | trans | -115.1 | 103.4 | 158.8 | -164.9 | 0 | 0 | 0 | 0 | 108.7 | T28 N32 | T28-T30 PolarHBondContact O-N 2.94Å; T30-N32 PolarHBondContact O-N 3.33Å |
| 31 | T | 46.3 | Very low | 41 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | | | trans | -57.6 | 111.9 | 160.8 | 179 | 0 | 0 | 0 | 0 | 108.4 | | |
| 32 | N | 43 | Very low | 41.5 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | trans | -111.3 | 99.8 | 162.1 | -80 | -39.6 | 0 | 0 | 0 | 107.2 | T30 P34 | T30-N32 PolarHBondContact O-N 3.33Å; N32-P34 WeakPolarHBondContact O-CD 3.44Å |
| 33 | R | 41.6 | Very low | 41.7 | Very low | 221 Ų | 221 | 138 Ų | 138 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | | | trans | -73.1 | 121.3 | 158.3 | 168.4 | -173.2 | -85.1 | -146.3 | -3.1 | 108.3 | | |
| 34 | P | 37.5 | Very low | 42.4 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | -108.6 | 110 | 138.8 | 31.5 | -26.3 | 0 | 0 | 0 | 107.3 | N32 | N32-P34 WeakPolarHBondContact O-CD 3.44Š|
| 35 | G | 39.6 | Very low | 43 | Very low | 50 Ų | 50 | 131.1 Ų | 131.1 | 52% | 0.515 | 76% | 0.762 | S | S | . | * | | | | 91.6 | 89.8 | 104.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | T37 | G35-T37 PolarHBondContact O-N 3.02Š|
| 36 | I | 48.7 | Very low | 43.4 | Very low | 170 Ų | 170 | 126.9 Ų | 126.9 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | | | trans | -43 | 100.5 | 161.8 | 36.2 | 153.7 | 0 | 0 | 0 | 111 | | |
| 37 | T | 38.2 | Very low | 43.6 | Very low | 137 Ų | 137 | 123.8 Ų | 123.8 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | | | trans | -92.5 | 107.4 | 162.4 | -55.2 | 0 | 0 | 0 | 0 | 107 | G35 A39 | G35-T37 PolarHBondContact O-N 3.02Å; T37-A39 PolarHBondContact O-N 3.34Å |
| 38 | R | 43.6 | Very low | 44.2 | Very low | 233 Ų | 233 | 127.3 Ų | 127.3 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | | | trans | -40.5 | 126.9 | 171.7 | 177.9 | -175.9 | -92.7 | -163.6 | -7.4 | 110.4 | | |
| 39 | A | 43.2 | Very low | 44.9 | Very low | 79 Ų | 79 | 128.2 Ų | 128.2 | 65% | 0.653 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 138.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | T37 A41 | T37-A39 PolarHBondContact O-N 3.34Å; A39-A41 PolarHBondContact O-N 3.41Å |
| 40 | P | 42.7 | Very low | 45.2 | Very low | 128 Ų | 128 | 128 Ų | 128 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 130.3 | 168.8 | 24.9 | -30.6 | 0 | 0 | 0 | 108.3 | K42 | P40-K42 PolarHBondContact O-N 3.3Š|
| 41 | A | 46.4 | Very low | 46.2 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 78% | 0.777 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 135.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A39 | A39-A41 PolarHBondContact O-N 3.41Š|
| 42 | K | 52.2 | Low | 46.7 | Very low | 190 Ų | 190 | 127.4 Ų | 127.4 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | | | trans | -44.3 | 122.5 | 166.2 | -169.7 | 179.1 | -175.1 | -176.2 | 0 | 109.8 | P40 | P40-K42 PolarHBondContact O-N 3.3Š|
| 43 | P | 47.2 | Very low | 47 | Very low | 103 Ų | 103 | 124.8 Ų | 124.8 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 142.7 | 163.1 | 26.8 | -29.7 | 0 | 0 | 0 | 108.8 | | |
| 44 | P | 44.8 | Very low | 47.4 | Very low | 124 Ų | 124 | 122.2 Ų | 122.2 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 143 | -179 | 26.4 | -33.1 | 0 | 0 | 0 | 109.8 | S46 | P44-S46 PolarHBondContact O-N 3.26Š|
| 45 | G | 53.3 | Low | 48.1 | Very low | 77 Ų | 77 | 122.7 Ų | 122.7 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 127 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 46 | S | 51.4 | Low | 48.6 | Very low | 92 Ų | 92 | 127.9 Ų | 127.9 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | | | trans | -122.3 | 91.6 | 146.2 | 60 | 0 | 0 | 0 | 0 | 104.9 | P44 F48 | P44-S46 PolarHBondContact O-N 3.26Å; S46-F48 PolarHBondContact O-N 3.17Å |
| 47 | G | 47.1 | Very low | 48.7 | Very low | 64 Ų | 64 | 127.4 Ų | 127.4 | 66% | 0.66 | 74% | 0.742 | S | S | * | * | | | trans | -53.9 | 126.8 | 159 | 0 | 0 | 0 | 0 | 0 | 106.1 | D49 | G47-D49 PolarHBondContact O-N 2.88Š|
| 48 | F | 49.8 | Very low | 49 | Very low | 195 Ų | 195 | 127.4 Ų | 127.4 | 86% | 0.855 | 74% | 0.737 | S | S | * | * | | | trans | -71.7 | 74.5 | 163.4 | -71 | -88.1 | 0 | 0 | 0 | 106.1 | S46 L50 | S46-F48 PolarHBondContact O-N 3.17Å; F48-L50 PolarHBondContact O-N 3.45Å |
| 49 | D | 53.2 | Low | 49.3 | Very low | 125 Ų | 125 | 123.5 Ų | 123.5 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | | | trans | -73.4 | 108.7 | 169.4 | -89.2 | -35.4 | 0 | 0 | 0 | 106.7 | G47 A51 D52 | G47-D49 PolarHBondContact O-N 2.88Å; D49-A51 HydrophobicContact CB-CB 4.4Å; D49-A51 PolarHBondContact O-N 3.16Å; D49-D52 PolarHBondContact O-N 3.5Å |
| 50 | L | 47.1 | Very low | 49.1 | Very low | 138 Ų | 138 | 121.7 Ų | 121.7 | 72% | 0.723 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -6.5 | 170.6 | -66.2 | 170.2 | 0 | 0 | 0 | 112.1 | F48 D52 A53 F54 | F48-L50 PolarHBondContact O-N 3.45Å; L50-D52 VanDerWaalsContact C-N 3.33Å; L50-A53 PolarHBondContact O-N 3.41Å; L50-F54 WeakPolarHBondContact O-CD2 3.49Å |
| 51 | A | 53.5 | Low | 49.4 | Very low | 70 Ų | 70 | 127.8 Ų | 127.8 | 58% | 0.579 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -31.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D49 A53 F54 | D49-A51 HydrophobicContact CB-CB 4.4Å; D49-A51 PolarHBondContact O-N 3.16Å; A51-A53 VanDerWaalsContact C-N 3.28Å; A51-A53 PolarHBondContact O-N 2.89Å; A51-F54 PolarHBondContact O-N 3.4Å |
| 52 | D | 55.7 | Low | 49.4 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -16.3 | 179.6 | -155 | 35.3 | 0 | 0 | 0 | 112.3 | D49 L50 F54 | D49-D52 PolarHBondContact O-N 3.5Å; L50-D52 VanDerWaalsContact C-N 3.33Å; D52-F54 VanDerWaalsContact C-N 3.25Å; D52-F54 PolarHBondContact O-N 3.07Å |
| 53 | A | 51 | Low | 49.1 | Very low | 77 Ų | 77 | 135.2 Ų | 135.2 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -11.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L50 A51 | L50-A53 PolarHBondContact O-N 3.41Å; A51-A53 VanDerWaalsContact C-N 3.28Å; A51-A53 PolarHBondContact O-N 2.89Å |
| 54 | F | 49.9 | Very low | 48.8 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 74% | 0.737 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -109.3 | -1.3 | 178.5 | -71.2 | -74.5 | 0 | 0 | 0 | 114 | L50 A51 D52 D56 | L50-F54 WeakPolarHBondContact O-CD2 3.49Å; A51-F54 PolarHBondContact O-N 3.4Å; D52-F54 VanDerWaalsContact C-N 3.25Å; D52-F54 PolarHBondContact O-N 3.07Å; F54-D56 PolarHBondContact O-N 3.38Å |
| 55 | D | 52.5 | Low | 48.4 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 68% | 0.684 | 75% | 0.745 | S | S | * | * | | | trans | -87 | 15.3 | -177.3 | -123.4 | 3.3 | 0 | 0 | 0 | 114.1 | Q57 | D55-Q57 PolarHBondContact O-N 2.75Š|
| 56 | D | 48.7 | Very low | 47.7 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | | | trans | -87.6 | 51.1 | 166 | -124.5 | 9.2 | 0 | 0 | 0 | 110.4 | F54 D58 | F54-D56 PolarHBondContact O-N 3.38Å; D56-D58 VanDerWaalsContact C-N 3.28Å; D56-D58 PolarHBondContact O-N 3.46Å |
| 57 | Q | 50.4 | Low | 47.2 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | trans | -87.5 | 69.7 | 158.4 | -84.6 | -168.8 | -34.6 | 0 | 0 | 109.2 | D55 N59 | D55-Q57 PolarHBondContact O-N 2.75Å; Q57-N59 PolarHBondContact O-N 2.96Å; Q57-N59 PolarHBondContact O-OD1 2.77Å |
| 58 | D | 45.3 | Very low | 46.5 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | | | trans | -75.7 | 84.4 | 165.7 | -162.3 | 2.2 | 0 | 0 | 0 | 109.7 | D56 G60 | D56-D58 VanDerWaalsContact C-N 3.28Å; D56-D58 PolarHBondContact O-N 3.46Å; D58-G60 PolarHBondContact O-N 3.07Å; D58-G60 PolarHBondContact OD1-N 3.42Å |
| 59 | N | 50.3 | Low | 46.4 | Very low | 152 Ų | 152 | 140.6 Ų | 140.6 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | trans | -72.4 | 69.5 | 161 | 48.9 | 5.6 | 0 | 0 | 0 | 109.9 | Q57 | Q57-N59 PolarHBondContact O-N 2.96Å; Q57-N59 PolarHBondContact O-OD1 2.77Å |
| 60 | G | 39.5 | Very low | 46 | Very low | 40 Ų | 40 | 142.9 Ų | 142.9 | 41% | 0.412 | 77% | 0.768 | S | S | . | * | | | trans | -146.8 | 79.2 | -170 | 0 | 0 | 0 | 0 | 0 | 115.7 | D58 R62 | D58-G60 PolarHBondContact O-N 3.07Å; D58-G60 PolarHBondContact OD1-N 3.42Å; G60-R62 PolarHBondContact O-N 3.21Å |
| 61 | R | 48.6 | Very low | 45.5 | Very low | 256 Ų | 256 | 144.6 Ų | 144.6 | 97% | 0.966 | 77% | 0.769 | S | S | * | * | | | trans | -51.2 | 97.9 | 166.3 | -174.1 | -168 | -132.5 | -136.4 | 5.2 | 111.9 | | |
| 62 | R | 45.6 | Very low | 44.8 | Very low | 242 Ų | 242 | 151.7 Ų | 151.7 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | | | trans | -140.9 | 124.1 | 168.3 | -71.7 | -169.8 | 150.5 | 145.8 | -4.7 | 113.4 | G60 | G60-R62 PolarHBondContact O-N 3.21Š|
| 63 | K | 45.9 | Very low | 44.6 | Very low | 198 Ų | 198 | 151.8 Ų | 151.8 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 148.8 | 174.8 | -69.8 | -178.5 | 174.2 | -177 | 0 | 111.1 | G65 | K63-G65 PolarHBondContact O-N 2.99Š|
| 64 | P | 41.5 | Very low | 44.3 | Very low | 138 Ų | 138 | 156.6 Ų | 156.6 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75 | 116.3 | 174 | 29.7 | -30.2 | 0 | 0 | 0 | 110.1 | | |
| 65 | G | 36.2 | Very low | 44.2 | Very low | 74 Ų | 74 | 155.4 Ų | 155.4 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 137.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K63 | K63-G65 PolarHBondContact O-N 2.99Š|
| 66 | I | 38.8 | Very low | 43.6 | Very low | 178 Ų | 178 | 154 Ų | 154 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | | | trans | -43.6 | 133.4 | 173.4 | -76.5 | 145.1 | 0 | 0 | 0 | 115.3 | | |
| 67 | G | 39.8 | Very low | 43.3 | Very low | 76 Ų | 76 | 151.7 Ų | 151.7 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | | | trans | 95.3 | 126.4 | 135.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 68 | G | 33.5 | Very low | 42.8 | Very low | 68 Ų | 68 | 149.8 Ų | 149.8 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | 127.3 | 89.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 69 | R | 48.1 | Very low | 42.7 | Very low | 235 Ų | 235 | 148.6 Ų | 148.6 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | | | | 54.6 | 138.1 | 79.4 | -58.6 | -174.8 | 169.8 | -116.5 | -3.9 | 113.1 | | |
| 70 | E | 44.9 | Very low | 42.9 | Very low | 172 Ų | 172 | 149.9 Ų | 149.9 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | 93.3 | 120.4 | 178.4 | -52.3 | 177.1 | -142.6 | 0 | 0 | 113.5 | | |
| 71 | K | 36 | Very low | 43.2 | Very low | 175 Ų | 175 | 159.1 Ų | 159.1 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | | | cis | -154.5 | 130.4 | 9.7 | -100.8 | 159.7 | 179.1 | 145.1 | 0 | 107.2 | N73 | K71-N73 PolarHBondContact O-N 2.9Š|
| 72 | W | 37.8 | Very low | 42.9 | Very low | 219 Ų | 219 | 152.1 Ų | 152.1 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | | | trans | -81.5 | 105.6 | 174.4 | -73.8 | 90.6 | 0 | 0 | 0 | 110.2 | T76 | W72-T76 WeakPolarHBondContact CZ3-OG1 3.45Š|
| 73 | N | 53.1 | Low | 43.2 | Very low | 135 Ų | 135 | 146.9 Ų | 146.9 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | | | trans | -142.1 | 97.1 | 153.8 | -70.9 | -31.8 | 0 | 0 | 0 | 106 | K71 | K71-N73 PolarHBondContact O-N 2.9Š|
| 74 | Q | 44.3 | Very low | 43.1 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 169.5 | 123.8 | 152.3 | -90.5 | 151.4 | 88.1 | 0 | 0 | 108.4 | T76 | Q74-T76 PolarHBondContact O-N 3.41Å; Q74-T76 PolarHBondContact O-OG1 3.46Å |
| 75 | V | 46.8 | Very low | 43.5 | Very low | 143 Ų | 143 | 143 Ų | 143 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | | | trans | -36.5 | 109.9 | 176.1 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | T77 | V75-T77 PolarHBondContact O-N 2.87Š|
| 76 | T | 41.1 | Very low | 44.2 | Very low | 98 Ų | 98 | 150.2 Ų | 150.2 | 60% | 0.601 | 78% | 0.781 | S | S | * | * | | | trans | -91.7 | 93 | 176.7 | -42.9 | 0 | 0 | 0 | 0 | 108.1 | W72 Q74 T78 | W72-T76 WeakPolarHBondContact CZ3-OG1 3.45Å; Q74-T76 PolarHBondContact O-N 3.41Å; Q74-T76 PolarHBondContact O-OG1 3.46Å; T76-T78 PolarHBondContact O-N 3.11Å; T76-T78 VanDerWaalsContact O-N 3.08Å |
| 77 | T | 40.8 | Very low | 44.8 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 68% | 0.681 | 77% | 0.767 | S | S | * | * | | | trans | -54.6 | 114.3 | 162.2 | -59.3 | 0 | 0 | 0 | 0 | 107.6 | V75 T79 | V75-T77 PolarHBondContact O-N 2.87Å; T77-T79 PolarHBondContact O-N 2.78Å |
| 78 | T | 39.8 | Very low | 45.4 | Very low | 120 Ų | 120 | 147.2 Ų | 147.2 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | | | trans | -73.2 | 79.8 | 178.2 | -170.5 | 0 | 0 | 0 | 0 | 109.7 | T76 K80 | T76-T78 PolarHBondContact O-N 3.11Å; T76-T78 VanDerWaalsContact O-N 3.08Å; T78-K80 PolarHBondContact O-N 2.63Å |
| 79 | T | 44.2 | Very low | 46.5 | Very low | 113 Ų | 113 | 148.1 Ų | 148.1 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | | | trans | -76.3 | 106.1 | 164.2 | -61 | 0 | 0 | 0 | 0 | 106.7 | T77 R81 | T77-T79 PolarHBondContact O-N 2.78Å; T79-R81 PolarHBondContact O-N 3.11Å |
| 80 | K | 55.1 | Low | 46.7 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 124.5 | 167.8 | -69.8 | -74.9 | -176.2 | 176.5 | 0 | 107.6 | T78 | T78-K80 PolarHBondContact O-N 2.63Š|
| 81 | R | 45.5 | Very low | 47.2 | Very low | 233 Ų | 233 | 140.1 Ų | 140.1 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 128.7 | 173.7 | -69.4 | -176.7 | -175.6 | -143.5 | -0.5 | 108 | T79 V83 | T79-R81 PolarHBondContact O-N 3.11Å; R81-V83 PolarHBondContact O-N 2.86Å |
| 82 | P | 41.2 | Very low | 48.1 | Very low | 110 Ų | 110 | 140 Ų | 140 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 136.1 | 161.8 | 25.3 | -29.7 | 0 | 0 | 0 | 107 | T84 | P82-T84 PolarHBondContact O-N 3.33Å; P82-T84 VanDerWaalsContact O-N 3.11Å |
| 83 | V | 51.8 | Low | 49 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 122.6 | 165.4 | 169.6 | 0 | 0 | 0 | 0 | 106.2 | R81 T85 | R81-V83 PolarHBondContact O-N 2.86Å; V83-T85 VanDerWaalsContact C-N 3.27Å; V83-T85 PolarHBondContact O-N 3.42Å |
| 84 | T | 45.2 | Very low | 49.3 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | | | trans | -61.8 | 95.3 | 170.1 | -56.6 | 0 | 0 | 0 | 0 | 107.1 | P82 R86 | P82-T84 PolarHBondContact O-N 3.33Å; P82-T84 VanDerWaalsContact O-N 3.11Å; T84-R86 PolarHBondContact O-N 3.34Å; T84-R86 VanDerWaalsContact O-N 3.07Å |
| 85 | T | 49.5 | Very low | 50.2 | Low | 129 Ų | 129 | 128.7 Ų | 128.7 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | | | trans | -58.9 | 112.9 | 153.4 | -54.7 | 0 | 0 | 0 | 0 | 104.4 | V83 A87 | V83-T85 VanDerWaalsContact C-N 3.27Å; V83-T85 PolarHBondContact O-N 3.42Å; T85-A87 PolarHBondContact O-N 3.5Å |
| 86 | R | 51.9 | Low | 50.9 | Low | 224 Ų | 224 | 131.6 Ų | 131.6 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | | | trans | -41.3 | 128.1 | 168.6 | -102.7 | 175.9 | 158.8 | -171.2 | -6.6 | 107.5 | T84 | T84-R86 PolarHBondContact O-N 3.34Å; T84-R86 VanDerWaalsContact O-N 3.07Å |
| 87 | A | 50.8 | Low | 52.4 | Low | 75 Ų | 75 | 131.7 Ų | 131.7 | 62% | 0.62 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -49 | 137.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108 | T85 A89 | T85-A87 PolarHBondContact O-N 3.5Å; A87-A89 PolarHBondContact O-N 2.89Å |
| 88 | P | 52.6 | Low | 53.7 | Low | 116 Ų | 116 | 132.6 Ų | 132.6 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 135 | 167.6 | 24 | -31.3 | 0 | 0 | 0 | 107 | N90 | P88-N90 PolarHBondContact O-N 2.68Å; P88-N90 VanDerWaalsContact O-N 3.12Å |
| 89 | A | 56.2 | Low | 55.2 | Low | 87 Ų | 87 | 130.2 Ų | 130.2 | 72% | 0.719 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -50 | 126.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | A87 T91 | A87-A89 PolarHBondContact O-N 2.89Å; A89-T91 PolarHBondContact O-N 3.44Å |
| 90 | N | 52.8 | Low | 56.4 | Low | 147 Ų | 147 | 130.5 Ų | 130.5 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | | | trans | -53.5 | 100.5 | 179.5 | -53.1 | -20 | 0 | 0 | 0 | 108.3 | P88 L92 | P88-N90 PolarHBondContact O-N 2.68Å; P88-N90 VanDerWaalsContact O-N 3.12Å; N90-L92 HydrophobicContact CB-CB 4.46Å; N90-L92 PolarHBondContact O-N 3.08Å |
| 91 | T | 54.1 | Low | 57.1 | Low | 92 Ų | 92 | 125.7 Ų | 125.7 | 56% | 0.564 | 71% | 0.714 | S | S | * | * | | | trans | -76.4 | 63 | 160.5 | 38.9 | 0 | 0 | 0 | 0 | 106.8 | A89 G93 D95 | A89-T91 PolarHBondContact O-N 3.44Å; T91-G93 PolarHBondContact O-N 3.08Å; T91-D95 PolarHBondContact OG1-OD1 2.59Å; T91-D95 PolarHBondContact OG1-OD2 2.7Å |
| 92 | L | 56.3 | Low | 58.3 | Low | 172 Ų | 172 | 121.6 Ų | 121.6 | 90% | 0.901 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 88.1 | 170.1 | -175.3 | 74.1 | 0 | 0 | 0 | 106.9 | N90 | N90-L92 HydrophobicContact CB-CB 4.46Å; N90-L92 PolarHBondContact O-N 3.08Å |
| 93 | G | 56.2 | Low | 59.7 | Low | 59 Ų | 59 | 119.4 Ų | 119.4 | 61% | 0.608 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 163.2 | -38.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | T91 | T91-G93 PolarHBondContact O-N 3.08Š|
| 94 | N | 59.4 | Low | 60.3 | Low | 114 Ų | 114 | 118.7 Ų | 118.7 | 61% | 0.61 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.9 | 6.8 | -153.2 | -48.7 | -24.6 | 0 | 0 | 0 | 115.1 | F96 D97 | N94-F96 PolarHBondContact O-N 3.13Å; N94-D97 PolarHBondContact O-N 3.38Å |
| 95 | D | 62.1 | Low | 61.1 | Low | 123 Ų | 123 | 120.1 Ų | 120.1 | 66% | 0.658 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -2 | -176.8 | -65 | -5.1 | 0 | 0 | 0 | 113.2 | T91 | T91-D95 PolarHBondContact OG1-OD1 2.59Å; T91-D95 PolarHBondContact OG1-OD2 2.7Å |
| 96 | F | 62.5 | Low | 61.7 | Low | 203 Ų | 203 | 119.8 Ų | 119.8 | 89% | 0.89 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | 18 | 172.8 | -78.8 | -82.6 | 0 | 0 | 0 | 112.8 | N94 L98 | N94-F96 PolarHBondContact O-N 3.13Å; F96-L98 PolarHBondContact O-N 3.47Å; F96-L98 VanDerWaalsContact O-N 3.15Å |
| 97 | D | 72.7 | Confident | 62.1 | Low | 101 Ų | 101 | 115.6 Ų | 115.6 | 54% | 0.54 | 66% | 0.661 | S | S | . | * | | | trans | -76.6 | 101.7 | 172.5 | -86 | -35.9 | 0 | 0 | 0 | 110.5 | N94 A99 | N94-D97 PolarHBondContact O-N 3.38Å; D97-A99 HydrophobicContact CB-CB 4.47Å; D97-A99 PolarHBondContact O-N 3.15Å; D97-A99 VanDerWaalsContact O-N 3.08Å |
| 98 | L | 68.1 | Low | 62.3 | Low | 130 Ų | 130 | 119.6 Ų | 119.6 | 68% | 0.681 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -1.1 | 169.5 | -68.2 | 163.3 | 0 | 0 | 0 | 112.8 | F96 D100 A101 L102 | F96-L98 PolarHBondContact O-N 3.47Å; F96-L98 VanDerWaalsContact O-N 3.15Å; L98-D100 PolarHBondContact O-N 3.45Å; L98-A101 HydrophobicContact CD2-CB 4.46Å; L98-A101 WeakPolarHBondContact O-CA 3.36Å; L98-A101 WeakPolarHBondContact O-CB 3.43Å; L98-A101 PolarHBondContact O-N 2.9Å; L98-L102 WeakPolarHBondContact O-CG 3.3Å; L98-L102 PolarHBondContact O-N 3.02Å; L98-L102 VanDerWaalsContact O-N 3.08Å |
| 99 | A | 71.5 | Confident | 62.5 | Low | 70 Ų | 70 | 119.8 Ų | 119.8 | 58% | 0.579 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -32.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | D97 L102 D103 | D97-A99 HydrophobicContact CB-CB 4.47Å; D97-A99 PolarHBondContact O-N 3.15Å; D97-A99 VanDerWaalsContact O-N 3.08Å; A99-L102 PolarHBondContact O-N 2.87Å; A99-D103 PolarHBondContact O-N 3.34Å |
| 100 | D | 69 | Low | 62.4 | Low | 119 Ų | 119 | 122.3 Ų | 122.3 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -29.6 | 173.8 | -166.6 | 41.7 | 0 | 0 | 0 | 112 | L98 L102 D103 | L98-D100 PolarHBondContact O-N 3.45Å; D100-L102 VanDerWaalsContact C-N 3.29Å; D100-L102 PolarHBondContact O-N 2.9Å; D100-D103 PolarHBondContact O-N 3.49Å |
| 101 | A | 70.6 | Confident | 62.4 | Low | 78 Ų | 78 | 118.8 Ų | 118.8 | 65% | 0.645 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -15.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L98 | L98-A101 HydrophobicContact CD2-CB 4.46Å; L98-A101 WeakPolarHBondContact O-CA 3.36Å; L98-A101 WeakPolarHBondContact O-CB 3.43Å; L98-A101 PolarHBondContact O-N 2.9Å |
| 102 | L | 69.8 | Low | 62.4 | Low | 147 Ų | 147 | 125.5 Ų | 125.5 | 77% | 0.77 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -0.1 | 174.6 | -66 | 175.4 | 0 | 0 | 0 | 112.7 | L98 A99 D100 D104 | L98-L102 WeakPolarHBondContact O-CG 3.3Å; L98-L102 PolarHBondContact O-N 3.02Å; L98-L102 VanDerWaalsContact O-N 3.08Å; A99-L102 PolarHBondContact O-N 2.87Å; D100-L102 VanDerWaalsContact C-N 3.29Å; D100-L102 PolarHBondContact O-N 2.9Å; L102-D104 PolarHBondContact O-N 2.94Å |
| 103 | D | 70.4 | Confident | 62.3 | Low | 63 Ų | 63 | 127.2 Ų | 127.2 | 34% | 0.337 | 67% | 0.665 | S | S | . | * | | | trans | -74.9 | 106.3 | 173.4 | -168 | 10.5 | 0 | 0 | 0 | 109.2 | A99 D100 R105 N106 | A99-D103 PolarHBondContact O-N 3.34Å; D100-D103 PolarHBondContact O-N 3.49Å; D103-R105 PolarHBondContact O-N 3.39Å; D103-R105 WeakPolarHBondContact OD1-CB 3.3Å; D103-R105 WeakPolarHBondContact OD1-CD 3.39Å; D103-R105 VanDerWaalsContact OD1-CG 3.25Å; D103-R105 WeakPolarHBondContact OD1-CG 3.38Å; D103-R105 PolarHBondContact OD1-N 3.3Å; D103-N106 PolarHBondContact O-N 2.84Å |
| 104 | D | 63.8 | Low | 62.6 | Low | 117 Ų | 117 | 133.4 Ų | 133.4 | 63% | 0.626 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -5.6 | 175.5 | 66.4 | -10.1 | 0 | 0 | 0 | 113.3 | L102 | L102-D104 PolarHBondContact O-N 2.94Š|
| 105 | R | 63.4 | Low | 62.1 | Low | 157 Ų | 157 | 133.8 Ų | 133.8 | 59% | 0.592 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -17.6 | 174.7 | -58.1 | 175.8 | -179.3 | -167.5 | 2.3 | 113.6 | D103 D107 R108 | D103-R105 PolarHBondContact O-N 3.39Å; D103-R105 WeakPolarHBondContact OD1-CB 3.3Å; D103-R105 WeakPolarHBondContact OD1-CD 3.39Å; D103-R105 VanDerWaalsContact OD1-CG 3.25Å; D103-R105 WeakPolarHBondContact OD1-CG 3.38Å; D103-R105 PolarHBondContact OD1-N 3.3Å; R105-D107 PolarHBondContact O-N 2.98Å; R105-R108 VanDerWaalsContact O-CB 3.31Å; R105-R108 WeakPolarHBondContact O-CB 3.02Å; R105-R108 PolarHBondContact O-N 3.43Å; R105-R108 VanDerWaalsContact O-N 3.11Å |
| 106 | N | 62.3 | Low | 61.8 | Low | 121 Ų | 121 | 135.2 Ų | 135.2 | 65% | 0.647 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -20.8 | 174.8 | -171.3 | 51.1 | 0 | 0 | 0 | 112 | D103 R108 | D103-N106 PolarHBondContact O-N 2.84Å; N106-R108 PolarHBondContact O-N 3.06Å |
| 107 | D | 58.9 | Low | 61.3 | Low | 136 Ų | 136 | 130.8 Ų | 130.8 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -5.7 | 173.5 | -58.7 | -19.4 | 0 | 0 | 0 | 112.9 | R105 D109 | R105-D107 PolarHBondContact O-N 2.98Å; D107-D109 PolarHBondContact O-N 3.34Å |
| 108 | R | 56.3 | Low | 60.5 | Low | 160 Ų | 160 | 129.1 Ų | 129.1 | 60% | 0.604 | 70% | 0.697 | S | S | * | * | | | trans | -76.2 | 80.5 | 169.4 | -65.5 | -178.8 | 174.5 | 156 | 3.4 | 107.6 | R105 N106 D110 | R105-R108 VanDerWaalsContact O-CB 3.31Å; R105-R108 WeakPolarHBondContact O-CB 3.02Å; R105-R108 PolarHBondContact O-N 3.43Å; R105-R108 VanDerWaalsContact O-N 3.11Å; N106-R108 PolarHBondContact O-N 3.06Å; R108-D110 VanDerWaalsContact C-N 3.32Å; R108-D110 PolarHBondContact O-N 3.48Å |
| 109 | D | 55.9 | Low | 60 | Low | 119 Ų | 119 | 126.8 Ų | 126.8 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | | | trans | -50.6 | 107.8 | 151.3 | -172.2 | 7.8 | 0 | 0 | 0 | 105.7 | D107 G111 | D107-D109 PolarHBondContact O-N 3.34Å; D109-G111 PolarHBondContact O-N 2.91Å |
| 110 | D | 54.8 | Low | 59.6 | Low | 141 Ų | 141 | 126.9 Ų | 126.9 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | | | trans | -67 | 43.8 | -171.6 | -60.7 | -42.3 | 0 | 0 | 0 | 112.2 | R108 R112 | R108-D110 VanDerWaalsContact C-N 3.32Å; R108-D110 PolarHBondContact O-N 3.48Å; D110-R112 WeakPolarHBondContact O-CB 3.35Å; D110-R112 PolarHBondContact O-N 3.19Å |
| 111 | G | 52.1 | Low | 59.5 | Low | 73 Ų | 73 | 124.2 Ų | 124.2 | 75% | 0.753 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 52 | 9.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | D109 | D109-G111 PolarHBondContact O-N 2.91Š|
| 112 | R | 54 | Low | 59.2 | Low | 233 Ų | 233 | 130.3 Ų | 130.3 | 88% | 0.879 | 73% | 0.725 | S | S | * | * | | | trans | -108.4 | 18.5 | -170.1 | -151.6 | 175.7 | -162.3 | -103.5 | 1.1 | 111.6 | D110 | D110-R112 WeakPolarHBondContact O-CB 3.35Å; D110-R112 PolarHBondContact O-N 3.19Å |
| 113 | R | 54.6 | Low | 59.2 | Low | 208 Ų | 208 | 125.8 Ų | 125.8 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -100.9 | 99.4 | 153.9 | -66.9 | -175.4 | -178.6 | -165.6 | 3 | 106.4 | | |
| 114 | K | 62 | Low | 59.2 | Low | 189 Ų | 189 | 128.8 Ų | 128.8 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | | | trans | -44.8 | 127.7 | 168.5 | -73 | -175.3 | 174.9 | -167.9 | 0 | 107.4 | I116 | K114-I116 PolarHBondContact O-N 3.41Š|
| 115 | P | 50.4 | Low | 59.6 | Low | 122 Ų | 122 | 130.5 Ų | 130.5 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | | | trans | -57.4 | 119.5 | 165.7 | 24.4 | -30.4 | 0 | 0 | 0 | 105.8 | A117 | P115-A117 PolarHBondContact O-N 3.41Š|
| 116 | I | 55.5 | Low | 60.2 | Low | 152 Ų | 152 | 126.4 Ų | 126.4 | 78% | 0.779 | 71% | 0.713 | S | S | * | * | | | trans | -56.4 | 116 | 171.1 | -63.1 | 173.5 | 0 | 0 | 0 | 104.6 | K114 G118 | K114-I116 PolarHBondContact O-N 3.41Å; I116-G118 PolarHBondContact O-N 2.9Å |
| 117 | A | 52 | Low | 60.7 | Low | 110 Ų | 110 | 126 Ų | 126 | 91% | 0.909 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -61.8 | 89.5 | 173 | 0 | 0 | 0 | 0 | 0 | 107.6 | P115 | P115-A117 PolarHBondContact O-N 3.41Š|
| 118 | G | 56.2 | Low | 61.4 | Low | 66 Ų | 66 | 125.6 Ų | 125.6 | 68% | 0.68 | 71% | 0.705 | S | S | * | * | | | trans | 175.2 | 17.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I116 G120 | I116-G118 PolarHBondContact O-N 2.9Å; G118-G120 PolarHBondContact O-N 3.49Å |
| 119 | G | 56.8 | Low | 62.1 | Low | 81 Ų | 81 | 122.8 Ų | 122.8 | 84% | 0.835 | 70% | 0.701 | S | S | * | * | | | trans | -76.2 | 75.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | G121 | G119-G121 PolarHBondContact O-N 3.45Š|
| 120 | G | 62.8 | Low | 62.7 | Low | 72 Ų | 72 | 122.3 Ų | 122.3 | 74% | 0.742 | 70% | 0.698 | S | S | * | * | | | trans | -75.1 | 103.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | G118 | G118-G120 PolarHBondContact O-N 3.49Š|
| 121 | G | 67.4 | Low | 63.5 | Low | 63 Ų | 63 | 121.8 Ų | 121.8 | 65% | 0.649 | 70% | 0.699 | S | S | * | * | | | trans | -68 | 138.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | G119 S123 | G119-G121 PolarHBondContact O-N 3.45Å; G121-S123 PolarHBondContact O-N 2.99Å |
| 122 | F | 64.5 | Low | 64.5 | Low | 206 Ų | 206 | 121.5 Ų | 121.5 | 90% | 0.904 | 70% | 0.696 | S | S | * | * | | | trans | -52.8 | 121.3 | 173.1 | -60.2 | -83.6 | 0 | 0 | 0 | 109.6 | | |
| 123 | S | 68.5 | Low | 64.9 | Low | 53 Ų | 53 | 113.6 Ų | 113.6 | 37% | 0.371 | 69% | 0.688 | S | S | . | * | | | trans | -113 | 157.9 | 179.1 | 69.3 | 0 | 0 | 0 | 0 | 109.9 | G121 K125 D126 | G121-S123 PolarHBondContact O-N 2.99Å; S123-K125 PolarHBondContact O-N 3.3Å; S123-D126 WeakPolarHBondContact CA-OD2 3.29Å; S123-D126 PolarHBondContact N-OD2 3.48Å; S123-D126 WeakPolarHBondContact O-CA 3.32Å; S123-D126 VanDerWaalsContact O-CB 3.28Å; S123-D126 WeakPolarHBondContact O-CB 3.28Å; S123-D126 PolarHBondContact O-N 3.27Å; S123-D126 PolarHBondContact OG-OD2 3.36Å |
| 124 | D | 71 | Confident | 65.4 | Low | 125 Ų | 125 | 104.8 Ų | 104.8 | 67% | 0.668 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -57.6 | -22.4 | -178.9 | -47.3 | -20.7 | 0 | 0 | 0 | 112.8 | L127 E128 | D124-L127 WeakPolarHBondContact O-CB 3.44Å; D124-L127 PolarHBondContact O-N 2.99Å; D124-E128 WeakPolarHBondContact O-CG 3.38Å; D124-E128 PolarHBondContact O-N 3.44Å |
| 125 | K | 72.4 | Confident | 65.7 | Low | 154 Ų | 154 | 102.9 Ų | 102.9 | 67% | 0.67 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.9 | -30.6 | 172.3 | -65.9 | -171.9 | 175.3 | 64.2 | 0 | 113.5 | S123 L127 E128 D129 | S123-K125 PolarHBondContact O-N 3.3Å; K125-L127 VanDerWaalsContact C-N 3.3Å; K125-E128 WeakPolarHBondContact CA-OE2 3.39Å; K125-E128 PolarHBondContact O-N 2.84Å; K125-D129 PolarHBondContact O-N 2.77Å |
| 126 | D | 75.5 | Confident | 66.2 | Low | 70 Ų | 70 | 105.4 Ų | 105.4 | 37% | 0.374 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -71 | -29.8 | 175 | -55.8 | -60.8 | 0 | 0 | 0 | 110.7 | S123 I130 | S123-D126 WeakPolarHBondContact CA-OD2 3.29Å; S123-D126 PolarHBondContact N-OD2 3.48Å; S123-D126 WeakPolarHBondContact O-CA 3.32Å; S123-D126 VanDerWaalsContact O-CB 3.28Å; S123-D126 WeakPolarHBondContact O-CB 3.28Å; S123-D126 PolarHBondContact O-N 3.27Å; S123-D126 PolarHBondContact OG-OD2 3.36Å; D126-I130 WeakPolarHBondContact O-CD1 3.29Å; D126-I130 VanDerWaalsContact O-CG1 3.26Å; D126-I130 WeakPolarHBondContact O-CG1 3.43Å; D126-I130 PolarHBondContact O-N 3.17Å |
| 127 | L | 73.4 | Confident | 66.6 | Low | 113 Ų | 113 | 105.3 Ų | 105.3 | 59% | 0.592 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.5 | -41.5 | 171.8 | -81.6 | 151.4 | 0 | 0 | 0 | 111.7 | D124 K125 D129 I130 V131 | D124-L127 WeakPolarHBondContact O-CB 3.44Å; D124-L127 PolarHBondContact O-N 2.99Å; K125-L127 VanDerWaalsContact C-N 3.3Å; L127-D129 VanDerWaalsContact C-N 3.34Å; L127-I130 PolarHBondContact O-N 3.22Å; L127-V131 WeakPolarHBondContact O-CB 3.38Å; L127-V131 WeakPolarHBondContact O-CG2 3.43Å; L127-V131 PolarHBondContact O-N 3.06Å |
| 128 | E | 73.7 | Confident | 67.1 | Low | 128 Ų | 128 | 103.6 Ų | 103.6 | 60% | 0.598 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.2 | -37.5 | 177.6 | -69.3 | 152.7 | -178.1 | 0 | 0 | 111.8 | D124 K125 G132 | D124-E128 WeakPolarHBondContact O-CG 3.38Å; D124-E128 PolarHBondContact O-N 3.44Å; K125-E128 WeakPolarHBondContact CA-OE2 3.39Å; K125-E128 PolarHBondContact O-N 2.84Å; E128-G132 WeakPolarHBondContact O-CA 3.34Å; E128-G132 PolarHBondContact O-N 3.49Å |
| 129 | D | 70.1 | Confident | 67.3 | Low | 100 Ų | 100 | 105.8 Ų | 105.8 | 54% | 0.535 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67 | -43.4 | 175.3 | -166.7 | 42.1 | 0 | 0 | 0 | 111.6 | K125 L127 G132 G133 G134 | K125-D129 PolarHBondContact O-N 2.77Å; L127-D129 VanDerWaalsContact C-N 3.34Å; D129-G132 PolarHBondContact O-N 3.35Å; D129-G133 PolarHBondContact O-N 3.49Å; D129-G134 WeakPolarHBondContact O-CA 3.26Å; D129-G134 PolarHBondContact O-N 3.19Å |
| 130 | I | 70.2 | Confident | 67.5 | Low | 110 Ų | 110 | 112.2 Ų | 112.2 | 56% | 0.564 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66 | -41.8 | 176.9 | -67 | 166.7 | 0 | 0 | 0 | 111.8 | D126 L127 | D126-I130 WeakPolarHBondContact O-CD1 3.29Å; D126-I130 VanDerWaalsContact O-CG1 3.26Å; D126-I130 WeakPolarHBondContact O-CG1 3.43Å; D126-I130 PolarHBondContact O-N 3.17Å; L127-I130 PolarHBondContact O-N 3.22Å |
| 131 | V | 71.4 | Confident | 67.4 | Low | 129 Ų | 129 | 111.8 Ų | 111.8 | 78% | 0.782 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -73 | -30.7 | 178.6 | 168.8 | 0 | 0 | 0 | 0 | 111.8 | L127 G133 | L127-V131 WeakPolarHBondContact O-CB 3.38Å; L127-V131 WeakPolarHBondContact O-CG2 3.43Å; L127-V131 PolarHBondContact O-N 3.06Å; V131-G133 PolarHBondContact O-N 3.33Å |
| 132 | G | 71.3 | Confident | 67.1 | Low | 67 Ų | 67 | 117 Ų | 117 | 69% | 0.691 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 1.3 | 180 | 0 | 0 | 0 | 0 | 0 | 115.3 | E128 D129 | E128-G132 WeakPolarHBondContact O-CA 3.34Å; E128-G132 PolarHBondContact O-N 3.49Å; D129-G132 PolarHBondContact O-N 3.35Å |
| 133 | G | 63.2 | Low | 66.6 | Low | 68 Ų | 68 | 110.5 Ų | 110.5 | 70% | 0.701 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.3 | 22 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D129 V131 E135 | D129-G133 PolarHBondContact O-N 3.49Å; V131-G133 PolarHBondContact O-N 3.33Å; G133-E135 PolarHBondContact O-N 3.37Å |
| 134 | G | 64.5 | Low | 66.1 | Low | 22 Ų | 22 | 115.8 Ų | 115.8 | 23% | 0.227 | 64% | 0.64 | C | S | . | * | | | trans | -58.7 | 128.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | D129 Y136 | D129-G134 WeakPolarHBondContact O-CA 3.26Å; D129-G134 PolarHBondContact O-N 3.19Å; G134-Y136 VanDerWaalsContact C-N 3.31Å; G134-Y136 PolarHBondContact O-N 3.05Å |
| 135 | E | 68.3 | Low | 65.5 | Low | 150 Ų | 150 | 111.9 Ų | 111.9 | 70% | 0.701 | 63% | 0.629 | S | S | * | * | | | trans | -72.6 | 87.1 | -175.3 | -165.4 | -178 | 153.2 | 0 | 0 | 109.6 | G133 K137 | G133-E135 PolarHBondContact O-N 3.37Å; E135-K137 VanDerWaalsContact CD-NZ 3.33Å; E135-K137 PolarHBondContact O-N 2.91Å; E135-K137 IonicContact OE1-NZ 3.71Å; E135-K137 PolarHBondContact OE1-NZ 2.73Å; E135-K137 IonicContact OE2-NZ 2.71Å |
| 136 | Y | 62.6 | Low | 64.8 | Low | 175 Ų | 175 | 116.6 Ų | 116.6 | 69% | 0.686 | 64% | 0.643 | S | S | * | * | | | trans | -55 | 109.9 | 168.4 | 179.9 | -110.3 | 0 | 0 | 0 | 108.7 | G134 P138 | G134-Y136 VanDerWaalsContact C-N 3.31Å; G134-Y136 PolarHBondContact O-N 3.05Å; Y136-P138 HydrophobicContact CD1-CB 4.34Å; Y136-P138 HydrophobicContact CD1-CG 4.33Å; Y136-P138 HydrophobicContact CE1-CB 3.72Å; Y136-P138 HydrophobicContact CE1-CG 4.16Å; Y136-P138 WeakPolarHBondContact O-CD 3.47Å |
| 137 | K | 63.5 | Low | 63.8 | Low | 150 Ų | 150 | 123.9 Ų | 123.9 | 65% | 0.652 | 67% | 0.667 | S | S | * | * | | | trans | -96.3 | 91.7 | 172.4 | -64.3 | -170.7 | -172.4 | -69.6 | 0 | 107.7 | E135 D139 | E135-K137 VanDerWaalsContact CD-NZ 3.33Å; E135-K137 PolarHBondContact O-N 2.91Å; E135-K137 IonicContact OE1-NZ 3.71Å; E135-K137 PolarHBondContact OE1-NZ 2.73Å; E135-K137 IonicContact OE2-NZ 2.71Å; K137-D139 PolarHBondContact O-N 2.77Å |
| 138 | P | 62 | Low | 62.6 | Low | 73 Ų | 73 | 121.7 Ų | 121.7 | 47% | 0.474 | 67% | 0.671 | S | S | . | * | | | trans | -58.5 | 131.3 | 171.8 | 24 | -31.3 | 0 | 0 | 0 | 108 | Y136 K140 | Y136-P138 HydrophobicContact CD1-CB 4.34Å; Y136-P138 HydrophobicContact CD1-CG 4.33Å; Y136-P138 HydrophobicContact CE1-CB 3.72Å; Y136-P138 HydrophobicContact CE1-CG 4.16Å; Y136-P138 WeakPolarHBondContact O-CD 3.47Å; P138-K140 PolarHBondContact O-N 2.8Å |
| 139 | D | 60.5 | Low | 61.7 | Low | 112 Ų | 112 | 120.5 Ų | 120.5 | 60% | 0.599 | 68% | 0.677 | S | S | * | * | | | trans | -55.2 | 108.2 | 173 | -179 | 6.5 | 0 | 0 | 0 | 108.2 | K137 G141 K142 | K137-D139 PolarHBondContact O-N 2.77Å; D139-G141 PolarHBondContact O-N 3.19Å; D139-G141 PolarHBondContact OD1-N 2.98Å; D139-K142 HydrophobicContact CB-CB 4.43Å; D139-K142 PolarHBondContact O-N 3.01Å; D139-K142 WeakPolarHBondContact OD2-CB 3.43Å |
| 140 | K | 61.4 | Low | 60.5 | Low | 217 Ų | 217 | 122.7 Ų | 122.7 | 94% | 0.943 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 6.3 | -175.7 | -90.5 | -175.1 | 177.1 | 179.8 | 0 | 113.6 | P138 | P138-K140 PolarHBondContact O-N 2.8Š|
| 141 | G | 60.3 | Low | 59.4 | Low | 62 Ų | 62 | 124.4 Ų | 124.4 | 64% | 0.639 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130 | 11.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116 | D139 | D139-G141 PolarHBondContact O-N 3.19Å; D139-G141 PolarHBondContact OD1-N 2.98Å |
| 142 | K | 60.4 | Low | 58.1 | Low | 172 Ų | 172 | 123.7 Ų | 123.7 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -140.1 | 74 | -172.5 | -144.4 | 173.6 | -176.9 | -168.8 | 0 | 112.5 | D139 | D139-K142 HydrophobicContact CB-CB 4.43Å; D139-K142 PolarHBondContact O-N 3.01Å; D139-K142 WeakPolarHBondContact OD2-CB 3.43Å |
| 143 | G | 54.2 | Low | 57.2 | Low | 70 Ų | 70 | 126.9 Ų | 126.9 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | | | trans | 167.6 | 33.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G145 | G143-G145 PolarHBondContact O-N 3.12Š|
| 144 | D | 58.9 | Low | 56.6 | Low | 165 Ų | 165 | 125.3 Ų | 125.3 | 88% | 0.882 | 68% | 0.683 | S | S | * | * | | | trans | -79.8 | 69.5 | 167.5 | 59.6 | -37 | 0 | 0 | 0 | 109.7 | | |
| 145 | G | 57.5 | Low | 56 | Low | 42 Ų | 42 | 130.5 Ų | 130.5 | 43% | 0.433 | 72% | 0.716 | S | S | . | * | S | Bend | trans | -160.6 | 66.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G143 Y147 | G143-G145 PolarHBondContact O-N 3.12Å; G145-Y147 WeakPolarHBondContact O-CD1 3.39Å; G145-Y147 PolarHBondContact O-N 3.43Å |
| 146 | R | 57.4 | Low | 54.7 | Low | 253 Ų | 253 | 126.7 Ų | 126.7 | 96% | 0.955 | 72% | 0.717 | S | S | * | * | | | trans | 33.7 | 84.6 | 144.8 | -59.5 | -178.6 | -170.7 | -118.8 | 2.2 | 116.1 | | |
| 147 | Y | 55.6 | Low | 54.5 | Low | 224 Ų | 224 | 124.9 Ų | 124.9 | 88% | 0.878 | 72% | 0.724 | S | S | * | * | | | trans | -156.4 | 85 | 148.7 | 52.4 | -86 | 0 | 0 | 0 | 108.8 | G145 | G145-Y147 WeakPolarHBondContact O-CD1 3.39Å; G145-Y147 PolarHBondContact O-N 3.43Å |
| 148 | G | 47 | Very low | 54 | Low | 66 Ų | 66 | 123.9 Ų | 123.9 | 68% | 0.68 | 73% | 0.73 | S | S | * | * | | | trans | -105.8 | 100 | 161.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | D150 | G148-D150 VanDerWaalsContact C-N 3.28Å; G148-D150 PolarHBondContact O-N 3.42Å |
| 149 | S | 54.7 | Low | 53.5 | Low | 103 Ų | 103 | 123 Ų | 123 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | | | trans | -75.1 | 90.3 | 163.8 | -156.7 | 0 | 0 | 0 | 0 | 105.6 | D151 | S149-D151 PolarHBondContact OG-OD2 3.4Š|
| 150 | D | 44.5 | Very low | 53.2 | Low | 146 Ų | 146 | 125.5 Ų | 125.5 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | | | trans | -99.7 | 87 | 162.3 | -75.9 | -61.3 | 0 | 0 | 0 | 106.4 | G148 D152 | G148-D150 VanDerWaalsContact C-N 3.28Å; G148-D150 PolarHBondContact O-N 3.42Å; D150-D152 PolarHBondContact O-N 3.34Å |
| 151 | D | 48.4 | Very low | 52.7 | Low | 146 Ų | 146 | 121.6 Ų | 121.6 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | | | trans | -64.8 | 72.6 | 154.8 | -65.7 | -71 | 0 | 0 | 0 | 107.5 | S149 P153 | S149-D151 PolarHBondContact OG-OD2 3.4Å; D151-P153 VanDerWaalsContact O-CD 3.29Å; D151-P153 WeakPolarHBondContact O-CD 3.45Å |
| 152 | D | 43.8 | Very low | 52.5 | Low | 115 Ų | 115 | 121.9 Ų | 121.9 | 62% | 0.615 | 74% | 0.735 | S | S | * | * | | | trans | -98.2 | 103.5 | 170.4 | -174.9 | 53.1 | 0 | 0 | 0 | 108.6 | D150 G154 | D150-D152 PolarHBondContact O-N 3.34Å; D152-G154 PolarHBondContact O-N 3.01Å; D152-G154 VanDerWaalsContact OD2-CA 3.29Å; D152-G154 WeakPolarHBondContact OD2-CA 3.41Å |
| 153 | P | 51.7 | Low | 52.1 | Low | 133 Ų | 133 | 117 Ų | 117 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | | | trans | -79.2 | 63.5 | 172.9 | 34.6 | -33.8 | 0 | 0 | 0 | 108.4 | D151 | D151-P153 VanDerWaalsContact O-CD 3.29Å; D151-P153 WeakPolarHBondContact O-CD 3.45Å |
| 154 | G | 51.3 | Low | 52 | Low | 36 Ų | 36 | 117.6 Ų | 117.6 | 37% | 0.371 | 71% | 0.705 | S | S | . | * | | | trans | -154.4 | 39.2 | -151.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | D152 | D152-G154 PolarHBondContact O-N 3.01Å; D152-G154 VanDerWaalsContact OD2-CA 3.29Å; D152-G154 WeakPolarHBondContact OD2-CA 3.41Å |
| 155 | S | 51.6 | Low | 51.7 | Low | 131 Ų | 131 | 113.2 Ų | 113.2 | 92% | 0.916 | 69% | 0.692 | S | S | * | * | | | trans | 69.4 | 117.5 | 155.7 | 152.6 | 0 | 0 | 0 | 0 | 117 | | |
| 156 | G | 42.2 | Very low | 51.7 | Low | 69 Ų | 69 | 113.2 Ų | 113.2 | 71% | 0.711 | 69% | 0.692 | S | S | * | * | | | trans | 158.7 | 70.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V158 | G156-V158 PolarHBondContact O-N 2.82Š|
| 157 | T | 58.2 | Low | 52 | Low | 137 Ų | 137 | 106 Ų | 106 | 84% | 0.84 | 68% | 0.676 | S | S | * | * | | | trans | -51.9 | 99.1 | 176 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 158 | V | 51.9 | Low | 52.6 | Low | 129 Ų | 129 | 100 Ų | 100 | 78% | 0.782 | 66% | 0.662 | S | S | * | * | | | trans | -159.2 | 73.2 | 137.1 | -168.5 | 0 | 0 | 0 | 0 | 108.3 | G156 | G156-V158 PolarHBondContact O-N 2.82Š|
| 159 | A | 51.8 | Low | 53.5 | Low | 54 Ų | 54 | 99.9 Ų | 99.9 | 45% | 0.446 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -73.3 | 141.2 | 154 | 0 | 0 | 0 | 0 | 0 | 106.9 | T163 I164 | A159-T163 WeakPolarHBondContact CB-OG1 3.2Å; A159-I164 HydrophobicContact CB-CG1 4.42Å; A159-I164 WeakPolarHBondContact O-CD1 3.42Å; A159-I164 WeakPolarHBondContact O-CG1 3.13Å |
| 160 | E | 54.5 | Low | 54.2 | Low | 165 Ų | 165 | 97.8 Ų | 97.8 | 77% | 0.771 | 64% | 0.64 | S | S | * | * | | | trans | -42.9 | 143.1 | -176.4 | -65.2 | 161.8 | 141.2 | 0 | 0 | 112.4 | G162 T163 | E160-G162 PolarHBondContact O-N 2.91Å; E160-T163 PolarHBondContact O-N 2.71Å; E160-T163 PolarHBondContact O-OG1 2.86Å |
| 161 | T | 50.1 | Low | 55.6 | Low | 135 Ų | 135 | 96.2 Ų | 96.2 | 83% | 0.828 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.4 | -10.5 | -171.3 | -49.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 162 | G | 56 | Low | 56.9 | Low | 69 Ų | 69 | 91.5 Ų | 91.5 | 71% | 0.711 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -22.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | E160 | E160-G162 PolarHBondContact O-N 2.91Š|
| 163 | T | 52 | Low | 58.6 | Low | 70 Ų | 70 | 92 Ų | 92 | 43% | 0.429 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.9 | -28.1 | -177.7 | 22 | 0 | 0 | 0 | 0 | 113.3 | A159 E160 A165 G166 V167 | A159-T163 WeakPolarHBondContact CB-OG1 3.2Å; E160-T163 PolarHBondContact O-N 2.71Å; E160-T163 PolarHBondContact O-OG1 2.86Å; T163-A165 VanDerWaalsContact C-N 3.34Å; T163-A165 PolarHBondContact O-N 2.67Å; T163-G166 PolarHBondContact O-N 2.95Å; T163-G166 VanDerWaalsContact O-N 3.12Å; T163-V167 PolarHBondContact O-N 3.26Å |
| 164 | I | 53.2 | Low | 60 | Low | 81 Ų | 81 | 88.6 Ų | 88.6 | 42% | 0.415 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.7 | -40.4 | -179.4 | -59.3 | 166.8 | 0 | 0 | 0 | 111.4 | A159 G166 V168 | A159-I164 HydrophobicContact CB-CG1 4.42Å; A159-I164 WeakPolarHBondContact O-CD1 3.42Å; A159-I164 WeakPolarHBondContact O-CG1 3.13Å; I164-G166 VanDerWaalsContact C-N 3.28Å; I164-G166 PolarHBondContact O-N 2.93Å; I164-V168 HydrophobicContact CG2-CG2 4.49Å; I164-V168 WeakPolarHBondContact O-CG2 3.26Å; I164-V168 PolarHBondContact O-N 2.97Å |
| 165 | A | 52.3 | Low | 61.4 | Low | 73 Ų | 73 | 92 Ų | 92 | 60% | 0.603 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.7 | -34.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | T163 S169 | T163-A165 VanDerWaalsContact C-N 3.34Å; T163-A165 PolarHBondContact O-N 2.67Å; A165-S169 WeakPolarHBondContact O-CB 3.32Å; A165-S169 PolarHBondContact O-N 3.42Å |
| 166 | G | 56.3 | Low | 62.4 | Low | 42 Ų | 42 | 90.9 Ų | 90.9 | 43% | 0.433 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -71.3 | -47.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T163 I164 S169 A170 | T163-G166 PolarHBondContact O-N 2.95Å; T163-G166 VanDerWaalsContact O-N 3.12Å; I164-G166 VanDerWaalsContact C-N 3.28Å; I164-G166 PolarHBondContact O-N 2.93Å; G166-S169 PolarHBondContact O-N 3.11Å; G166-A170 WeakPolarHBondContact O-CB 3.47Å; G166-A170 PolarHBondContact O-N 3.37Å |
| 167 | V | 65.3 | Low | 64.1 | Low | 101 Ų | 101 | 89.3 Ų | 89.3 | 61% | 0.612 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.8 | -41.8 | -174.1 | 179.3 | 0 | 0 | 0 | 0 | 112.1 | T163 S169 A170 L171 | T163-V167 PolarHBondContact O-N 3.26Å; V167-S169 VanDerWaalsContact C-N 3.33Å; V167-S169 PolarHBondContact O-N 2.87Å; V167-A170 PolarHBondContact O-N 3.06Å; V167-L171 WeakPolarHBondContact O-CB 3.28Å; V167-L171 PolarHBondContact O-N 2.95Å |
| 168 | V | 67.6 | Low | 64.9 | Low | 98 Ų | 98 | 85.5 Ų | 85.5 | 59% | 0.594 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.7 | -38.6 | 177.7 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | I164 L171 A172 | I164-V168 HydrophobicContact CG2-CG2 4.49Å; I164-V168 WeakPolarHBondContact O-CG2 3.26Å; I164-V168 PolarHBondContact O-N 2.97Å; V168-L171 PolarHBondContact O-N 3.44Å; V168-A172 WeakPolarHBondContact O-CB 3.47Å; V168-A172 PolarHBondContact O-N 3.39Å |
| 169 | S | 66.4 | Low | 65.9 | Low | 65 Ų | 65 | 83.7 Ų | 83.7 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 174.9 | -174.9 | 0 | 0 | 0 | 0 | 112.1 | A165 G166 V167 A172 M173 | A165-S169 WeakPolarHBondContact O-CB 3.32Å; A165-S169 PolarHBondContact O-N 3.42Å; G166-S169 PolarHBondContact O-N 3.11Å; V167-S169 VanDerWaalsContact C-N 3.33Å; V167-S169 PolarHBondContact O-N 2.87Å; S169-A172 PolarHBondContact O-N 3.08Å; S169-M173 WeakPolarHBondContact O-CG 3.11Å; S169-M173 PolarHBondContact O-N 3.06Å |
| 170 | A | 68.3 | Low | 66.6 | Low | 59 Ų | 59 | 84 Ų | 84 | 49% | 0.488 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | G166 V167 M173 A174 | G166-A170 WeakPolarHBondContact O-CB 3.47Å; G166-A170 PolarHBondContact O-N 3.37Å; V167-A170 PolarHBondContact O-N 3.06Å; A170-M173 PolarHBondContact O-N 3.03Å; A170-A174 VanDerWaalsContact O-CB 3.26Å; A170-A174 WeakPolarHBondContact O-CB 3.48Å; A170-A174 PolarHBondContact O-N 3.08Å |
| 171 | L | 74.6 | Confident | 67 | Low | 113 Ų | 113 | 79.9 Ų | 79.9 | 59% | 0.592 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.9 | -39.6 | 177.7 | -167.1 | 67.2 | 0 | 0 | 0 | 111.7 | V167 V168 A174 L175 | V167-L171 WeakPolarHBondContact O-CB 3.28Å; V167-L171 PolarHBondContact O-N 2.95Å; V168-L171 PolarHBondContact O-N 3.44Å; L171-A174 PolarHBondContact O-N 3.26Å; L171-L175 WeakPolarHBondContact O-CG 2.96Å; L171-L175 PolarHBondContact O-N 3.49Å |
| 172 | A | 75 | Confident | 67.6 | Low | 46 Ų | 46 | 80.6 Ų | 80.6 | 38% | 0.38 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -46 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V168 S169 A174 L175 I176 | V168-A172 WeakPolarHBondContact O-CB 3.47Å; V168-A172 PolarHBondContact O-N 3.39Å; S169-A172 PolarHBondContact O-N 3.08Å; A172-A174 VanDerWaalsContact C-N 3.34Å; A172-A174 PolarHBondContact O-N 3.36Å; A172-L175 PolarHBondContact O-N 3.2Å; A172-I176 VanDerWaalsContact O-CG1 3.32Å; A172-I176 WeakPolarHBondContact O-CG1 3.04Å; A172-I176 PolarHBondContact O-N 3.38Å; A172-I176 VanDerWaalsContact O-N 3.08Å |
| 173 | M | 81.1 | Confident | 68 | Low | 127 Ų | 127 | 82 Ų | 82 | 63% | 0.626 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.8 | -35.4 | 177 | -70.5 | -62 | 168.7 | 0 | 0 | 112.4 | S169 A170 I176 G177 | S169-M173 WeakPolarHBondContact O-CG 3.11Å; S169-M173 PolarHBondContact O-N 3.06Å; A170-M173 PolarHBondContact O-N 3.03Å; M173-I176 PolarHBondContact O-N 3.33Å; M173-I176 HydrophobicContact SD-CD1 4.4Å; M173-G177 PolarHBondContact O-N 3.42Å |
| 174 | A | 80 | Confident | 68.3 | Low | 60 Ų | 60 | 81.4 Ų | 81.4 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A170 L171 A172 G177 A178 | A170-A174 VanDerWaalsContact O-CB 3.26Å; A170-A174 WeakPolarHBondContact O-CB 3.48Å; A170-A174 PolarHBondContact O-N 3.08Å; L171-A174 PolarHBondContact O-N 3.26Å; A172-A174 VanDerWaalsContact C-N 3.34Å; A172-A174 PolarHBondContact O-N 3.36Å; A174-G177 PolarHBondContact O-N 3.15Å; A174-A178 VanDerWaalsContact O-CB 3.3Å; A174-A178 WeakPolarHBondContact O-CB 3.16Å; A174-A178 PolarHBondContact O-N 3.29Å |
| 175 | L | 80.4 | Confident | 68.4 | Low | 107 Ų | 107 | 85.6 Ų | 85.6 | 56% | 0.56 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.2 | -41.3 | 177.8 | -69.1 | 173.6 | 0 | 0 | 0 | 112.2 | L171 A172 G177 A178 V179 | L171-L175 WeakPolarHBondContact O-CG 2.96Å; L171-L175 PolarHBondContact O-N 3.49Å; A172-L175 PolarHBondContact O-N 3.2Å; L175-G177 VanDerWaalsContact C-N 3.34Å; L175-G177 PolarHBondContact O-N 2.76Å; L175-A178 PolarHBondContact O-N 2.99Å; L175-V179 WeakPolarHBondContact O-CG2 3.07Å; L175-V179 PolarHBondContact O-N 2.68Å |
| 176 | I | 72.8 | Confident | 68.6 | Low | 108 Ų | 108 | 87.9 Ų | 87.9 | 55% | 0.554 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.7 | -42.3 | 175.1 | -65.2 | 165 | 0 | 0 | 0 | 110.5 | A172 M173 S180 | A172-I176 VanDerWaalsContact O-CG1 3.32Å; A172-I176 WeakPolarHBondContact O-CG1 3.04Å; A172-I176 PolarHBondContact O-N 3.38Å; A172-I176 VanDerWaalsContact O-N 3.08Å; M173-I176 PolarHBondContact O-N 3.33Å; M173-I176 HydrophobicContact SD-CD1 4.4Å; I176-S180 VanDerWaalsContact O-CB 3.28Å; I176-S180 WeakPolarHBondContact O-CB 3.16Å; I176-S180 PolarHBondContact O-N 3.27Å; I176-S180 VanDerWaalsContact O-N 3.07Å; I176-S180 PolarHBondContact O-OG 2.9Å |
| 177 | G | 79.1 | Confident | 68.6 | Low | 37 Ų | 37 | 92.1 Ų | 92.1 | 38% | 0.381 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | M173 A174 L175 S180 S181 | M173-G177 PolarHBondContact O-N 3.42Å; A174-G177 PolarHBondContact O-N 3.15Å; L175-G177 VanDerWaalsContact C-N 3.34Å; L175-G177 PolarHBondContact O-N 2.76Å; G177-S180 WeakPolarHBondContact CA-OG 3.5Å; G177-S180 PolarHBondContact O-OG 3.26Å; G177-S180 VanDerWaalsContact O-OG 3.08Å; G177-S181 WeakPolarHBondContact O-CB 3.44Å; G177-S181 PolarHBondContact O-N 2.83Å |
| 178 | A | 74.4 | Confident | 68.2 | Low | 56 Ų | 56 | 96.9 Ų | 96.9 | 46% | 0.463 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.5 | -44.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A174 L175 S181 Y182 | A174-A178 VanDerWaalsContact O-CB 3.3Å; A174-A178 WeakPolarHBondContact O-CB 3.16Å; A174-A178 PolarHBondContact O-N 3.29Å; L175-A178 PolarHBondContact O-N 2.99Å; A178-S181 PolarHBondContact O-N 3Å; A178-Y182 WeakPolarHBondContact O-CB 3.48Å; A178-Y182 PolarHBondContact O-N 3.22Å |
| 179 | V | 73 | Confident | 67.7 | Low | 91 Ų | 91 | 100.2 Ų | 100.2 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.3 | -39.5 | 179.6 | 178.7 | 0 | 0 | 0 | 0 | 111 | L175 Y182 I183 | L175-V179 WeakPolarHBondContact O-CG2 3.07Å; L175-V179 PolarHBondContact O-N 2.68Å; V179-Y182 PolarHBondContact O-N 2.92Å; V179-I183 HydrophobicContact CG1-CD1 4.24Å; V179-I183 WeakPolarHBondContact O-CG1 3.25Å; V179-I183 PolarHBondContact O-N 3.26Å |
| 180 | S | 65.6 | Low | 67.2 | Low | 62 Ų | 62 | 103.3 Ų | 103.3 | 43% | 0.434 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.7 | -40.7 | 172.8 | 58.5 | 0 | 0 | 0 | 0 | 112.1 | I176 G177 Y182 I183 S184 | I176-S180 VanDerWaalsContact O-CB 3.28Å; I176-S180 WeakPolarHBondContact O-CB 3.16Å; I176-S180 PolarHBondContact O-N 3.27Å; I176-S180 VanDerWaalsContact O-N 3.07Å; I176-S180 PolarHBondContact O-OG 2.9Å; G177-S180 WeakPolarHBondContact CA-OG 3.5Å; G177-S180 PolarHBondContact O-OG 3.26Å; G177-S180 VanDerWaalsContact O-OG 3.08Å; S180-Y182 PolarHBondContact O-N 3.03Å; S180-I183 PolarHBondContact O-N 3.34Å; S180-S184 PolarHBondContact O-N 3.31Å; S180-S184 VanDerWaalsContact O-N 3.07Å; S180-S184 PolarHBondContact O-OG 3.44Å; S180-S184 VanDerWaalsContact O-OG 3.11Å |
| 181 | S | 63.1 | Low | 66.4 | Low | 77 Ų | 77 | 106.5 Ų | 106.5 | 54% | 0.538 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.5 | -41.2 | 174.4 | -177.8 | 0 | 0 | 0 | 0 | 112.3 | G177 A178 S184 Y185 | G177-S181 WeakPolarHBondContact O-CB 3.44Å; G177-S181 PolarHBondContact O-N 2.83Å; A178-S181 PolarHBondContact O-N 3Å; S181-S184 PolarHBondContact O-N 3.25Å; S181-Y185 VanDerWaalsContact O-CB 3.3Å; S181-Y185 WeakPolarHBondContact O-CB 3.5Å; S181-Y185 PolarHBondContact O-N 3.27Å |
| 182 | Y | 62.9 | Low | 65.3 | Low | 151 Ų | 151 | 109.5 Ų | 109.5 | 59% | 0.592 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.6 | -40.2 | -178.9 | -173.2 | -105.1 | 0 | 0 | 0 | 112.6 | A178 V179 S180 Y185 Q186 | A178-Y182 WeakPolarHBondContact O-CB 3.48Å; A178-Y182 PolarHBondContact O-N 3.22Å; V179-Y182 PolarHBondContact O-N 2.92Å; S180-Y182 PolarHBondContact O-N 3.03Å; Y182-Y185 PolarHBondContact O-N 3.4Å; Y182-Q186 HydrophobicContact CE1-CG 4.34Å; Y182-Q186 WeakPolarHBondContact O-CG 3.36Å; Y182-Q186 PolarHBondContact O-N 3.44Å; Y182-Q186 VanDerWaalsContact O-N 3.16Å; Y182-Q186 PolarHBondContact OH-NE2 3.16Å |
| 183 | I | 64.7 | Low | 63.9 | Low | 97 Ų | 97 | 109.9 Ų | 109.9 | 50% | 0.497 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.4 | -40.5 | 176.6 | -64.1 | 167.2 | 0 | 0 | 0 | 110.8 | V179 S180 Y185 Q186 Q187 | V179-I183 HydrophobicContact CG1-CD1 4.24Å; V179-I183 WeakPolarHBondContact O-CG1 3.25Å; V179-I183 PolarHBondContact O-N 3.26Å; S180-I183 PolarHBondContact O-N 3.34Å; I183-Y185 VanDerWaalsContact C-N 3.31Å; I183-Y185 PolarHBondContact O-N 2.62Å; I183-Q186 PolarHBondContact O-N 3.3Å; I183-Q187 PolarHBondContact O-N 2.85Å |
| 184 | S | 58.6 | Low | 62.6 | Low | 58 Ų | 58 | 110 Ų | 110 | 41% | 0.406 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.5 | -31.5 | 175 | -62 | 0 | 0 | 0 | 0 | 113.2 | S180 S181 | S180-S184 PolarHBondContact O-N 3.31Å; S180-S184 VanDerWaalsContact O-N 3.07Å; S180-S184 PolarHBondContact O-OG 3.44Å; S180-S184 VanDerWaalsContact O-OG 3.11Å; S181-S184 PolarHBondContact O-N 3.25Å |
| 185 | Y | 54.6 | Low | 61.1 | Low | 170 Ų | 170 | 114.4 Ų | 114.4 | 67% | 0.667 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.4 | -45.4 | 176.8 | -175.6 | -99.1 | 0 | 0 | 0 | 112 | S181 Y182 I183 Q187 K188 | S181-Y185 VanDerWaalsContact O-CB 3.3Å; S181-Y185 WeakPolarHBondContact O-CB 3.5Å; S181-Y185 PolarHBondContact O-N 3.27Å; Y182-Y185 PolarHBondContact O-N 3.4Å; I183-Y185 VanDerWaalsContact C-N 3.31Å; I183-Y185 PolarHBondContact O-N 2.62Å; Y185-Q187 PolarHBondContact O-N 3.44Å; Y185-K188 PolarHBondContact O-N 3.38Å |
| 186 | Q | 56.9 | Low | 59.5 | Low | 121 Ų | 121 | 116.7 Ų | 116.7 | 57% | 0.565 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.8 | -28.1 | 178.7 | -72.5 | -71.9 | -8.5 | 0 | 0 | 112.8 | Y182 I183 K188 | Y182-Q186 HydrophobicContact CE1-CG 4.34Å; Y182-Q186 WeakPolarHBondContact O-CG 3.36Å; Y182-Q186 PolarHBondContact O-N 3.44Å; Y182-Q186 VanDerWaalsContact O-N 3.16Å; Y182-Q186 PolarHBondContact OH-NE2 3.16Å; I183-Q186 PolarHBondContact O-N 3.3Å; Q186-K188 VanDerWaalsContact C-N 3.34Å; Q186-K188 PolarHBondContact O-N 2.78Å |
| 187 | Q | 55.2 | Low | 58.5 | Low | 131 Ų | 131 | 114 Ų | 114 | 61% | 0.612 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 4.8 | -178.7 | -71.5 | -165.5 | -10.9 | 0 | 0 | 115.4 | I183 Y185 K189 | I183-Q187 PolarHBondContact O-N 2.85Å; Y185-Q187 PolarHBondContact O-N 3.44Å; Q187-K189 WeakPolarHBondContact O-CB 3.35Å; Q187-K189 WeakPolarHBondContact O-CG 3.31Å; Q187-K189 PolarHBondContact O-N 2.91Å |
| 188 | K | 58.3 | Low | 57 | Low | 200 Ų | 200 | 119.1 Ų | 119.1 | 87% | 0.87 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 45 | 27.7 | 174.9 | -74.4 | -168 | -175.8 | -173.9 | 0 | 115.4 | Y185 Q186 | Y185-K188 PolarHBondContact O-N 3.38Å; Q186-K188 VanDerWaalsContact C-N 3.34Å; Q186-K188 PolarHBondContact O-N 2.78Å |
| 189 | K | 57.3 | Low | 55.6 | Low | 169 Ų | 169 | 123 Ų | 123 | 74% | 0.735 | 63% | 0.627 | S | S | * | * | | | trans | -136.4 | 8.4 | -173.3 | -75.3 | -169.1 | -177.1 | 172.3 | 0 | 117.3 | Q187 | Q187-K189 WeakPolarHBondContact O-CB 3.35Å; Q187-K189 WeakPolarHBondContact O-CG 3.31Å; Q187-K189 PolarHBondContact O-N 2.91Å |
| 190 | F | 55.5 | Low | 54.4 | Low | 130 Ų | 130 | 122 Ų | 122 | 57% | 0.57 | 63% | 0.627 | S | S | * | * | | | trans | -137.7 | 33.5 | 175.9 | -69.9 | -75.7 | 0 | 0 | 0 | 114.9 | F192 | F190-F192 PolarHBondContact O-N 3.37Å; F190-F192 VanDerWaalsContact O-N 3.11Å |
| 191 | C | 50.7 | Low | 53.6 | Low | 125 Ų | 125 | 125.3 Ų | 125.3 | 85% | 0.845 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 10.1 | 168.7 | -95.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 192 | F | 52 | Low | 52.6 | Low | 176 Ų | 176 | 132.2 Ų | 132.2 | 77% | 0.772 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.7 | 50.7 | -176.6 | -152.9 | -96.6 | 0 | 0 | 0 | 116 | F190 | F190-F192 PolarHBondContact O-N 3.37Å; F190-F192 VanDerWaalsContact O-N 3.11Å |
| 193 | S | 46.2 | Very low | 51.9 | Low | 55 Ų | 55 | 131.6 Ų | 131.6 | 39% | 0.385 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -142.6 | -7.7 | 161 | 75.7 | 0 | 0 | 0 | 0 | 116.2 | Q195 Q196 G197 | S193-Q195 PolarHBondContact O-N 2.83Å; S193-Q195 VanDerWaalsContact O-N 3.13Å; S193-Q196 PolarHBondContact O-N 3.17Å; S193-G197 PolarHBondContact O-N 3.12Å; S193-G197 VanDerWaalsContact O-N 3.15Å |
| 194 | I | 53.2 | Low | 51.1 | Low | 128 Ų | 128 | 134.2 Ų | 134.2 | 66% | 0.656 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -65.1 | -19.2 | 176.4 | -60.1 | 177.1 | 0 | 0 | 0 | 111.8 | Q196 G197 L198 | I194-Q196 PolarHBondContact O-N 3.26Å; I194-G197 PolarHBondContact O-N 3.3Å; I194-L198 PolarHBondContact O-N 2.93Å |
| 195 | Q | 48 | Very low | 50.8 | Low | 154 Ų | 154 | 135.7 Ų | 135.7 | 72% | 0.72 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -73.2 | -13.7 | 172.4 | -64.8 | -178.2 | 34.2 | 0 | 0 | 113.3 | S193 | S193-Q195 PolarHBondContact O-N 2.83Å; S193-Q195 VanDerWaalsContact O-N 3.13Å |
| 196 | Q | 48 | Very low | 50.1 | Low | 154 Ų | 154 | 134.5 Ų | 134.5 | 72% | 0.72 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -99.7 | -30.4 | 167.7 | -78.3 | -178.3 | -21.8 | 0 | 0 | 113 | S193 I194 L198 A200 | S193-Q196 PolarHBondContact O-N 3.17Å; I194-Q196 PolarHBondContact O-N 3.26Å; Q196-L198 PolarHBondContact O-N 3.19Å; Q196-A200 WeakPolarHBondContact O-CB 3.39Å; Q196-A200 PolarHBondContact O-N 3.07Å |
| 197 | G | 50.7 | Low | 49.3 | Very low | 51 Ų | 51 | 134.8 Ų | 134.8 | 53% | 0.526 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -77.9 | -14.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | S193 I194 | S193-G197 PolarHBondContact O-N 3.12Å; S193-G197 VanDerWaalsContact O-N 3.15Å; I194-G197 PolarHBondContact O-N 3.3Å |
| 198 | L | 48.2 | Very low | 48.8 | Very low | 145 Ų | 145 | 137.7 Ų | 137.7 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | -11.6 | 176.5 | -124.6 | 150.2 | 0 | 0 | 0 | 112.8 | I194 Q196 | I194-L198 PolarHBondContact O-N 2.93Å; Q196-L198 PolarHBondContact O-N 3.19Å |
| 199 | N | 45.7 | Very low | 48.1 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -15.5 | -174.4 | -162.2 | -95.7 | 0 | 0 | 0 | 113.5 | | |
| 200 | A | 47.1 | Very low | 47.2 | Very low | 69 Ų | 69 | 132 Ų | 132 | 57% | 0.57 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -92.9 | -19.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q196 | Q196-A200 WeakPolarHBondContact O-CB 3.39Å; Q196-A200 PolarHBondContact O-N 3.07Å |
| 201 | D | 48.3 | Very low | 46.4 | Very low | 133 Ų | 133 | 132 Ų | 132 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -98.6 | 1.8 | -169.8 | -67.8 | -24.2 | 0 | 0 | 0 | 115.1 | | |
| 202 | Y | 42.7 | Very low | 45.5 | Very low | 221 Ų | 221 | 131.5 Ų | 131.5 | 87% | 0.867 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -101.4 | 0.2 | 179.2 | -143.1 | -96.3 | 0 | 0 | 0 | 115.2 | | |
| 203 | V | 47.9 | Very low | 44.8 | Very low | 139 Ų | 139 | 129 Ų | 129 | 84% | 0.842 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -107.5 | -5.2 | -179.2 | 166.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 204 | K | 48.2 | Very low | 44.6 | Very low | 152 Ų | 152 | 133.3 Ų | 133.3 | 66% | 0.661 | 74% | 0.74 | S | S | * | * | | | trans | -133.9 | 67.1 | 177.4 | -157.6 | 174 | -173.6 | -172.7 | 0 | 111.9 | E206 | K204-E206 WeakPolarHBondContact CE-OE1 3.36Å; K204-E206 HydrophobicContact CG-CG 3.89Å; K204-E206 PolarHBondContact O-N 3.04Å |
| 205 | G | 51.4 | Low | 43.8 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 92% | 0.918 | 74% | 0.742 | S | S | * | * | | | trans | -68.8 | 60.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 206 | E | 41.6 | Very low | 43.6 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 67% | 0.673 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -150.7 | 31.4 | 173.5 | 62.5 | 172.1 | 172.5 | 0 | 0 | 113.4 | K204 | K204-E206 WeakPolarHBondContact CE-OE1 3.36Å; K204-E206 HydrophobicContact CG-CG 3.89Å; K204-E206 PolarHBondContact O-N 3.04Å |
| 207 | N | 39.1 | Very low | 42.8 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 68% | 0.684 | 74% | 0.738 | S | S | * | * | | | trans | -159.2 | 81.3 | 160.4 | -144.8 | -104.8 | 0 | 0 | 0 | 112.2 | E209 | N207-E209 PolarHBondContact O-N 3.45Š|
| 208 | L | 44.3 | Very low | 42 | Very low | 191 Ų | 191 | 133.6 Ų | 133.6 | 100% | 1 | 74% | 0.741 | S | S | * | * | | | trans | -79.8 | 62.3 | 167.3 | -117.3 | 161.2 | 0 | 0 | 0 | 108.8 | | |
| 209 | E | 43.8 | Very low | 41.4 | Very low | 158 Ų | 158 | 136 Ų | 136 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | | | trans | -144.2 | 132 | 169.2 | -131.9 | -176.6 | -178.5 | 0 | 0 | 108.6 | N207 | N207-E209 PolarHBondContact O-N 3.45Š|
| 210 | A | 39.5 | Very low | 40.9 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | | | trans | 73.4 | 110.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 211 | V | 37.1 | Very low | 41 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | | | cis | -138.1 | 103.5 | 45.4 | 165.6 | 0 | 0 | 0 | 0 | 106.9 | C213 | V211-C213 PolarHBondContact O-N 2.88Š|
| 212 | V | 32.6 | Very low | 40.7 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | | | trans | -23.4 | 125.7 | 137.1 | 160.7 | 0 | 0 | 0 | 0 | 106.8 | E214 | V212-E214 PolarHBondContact O-N 3.17Š|
| 213 | C | 37 | Very low | 40.4 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | | | trans | -50.8 | 94 | 155.5 | -70.9 | 0 | 0 | 0 | 0 | 104.6 | V211 E215 | V211-C213 PolarHBondContact O-N 2.88Å; C213-E215 PolarHBondContact O-N 3.37Å |
| 214 | E | 42.4 | Very low | 40 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 67% | 0.673 | 76% | 0.759 | S | S | * | * | | | trans | -68.4 | 90.4 | 171.6 | -167.4 | -173 | 167.3 | 0 | 0 | 99.8 | V212 | V212-E214 PolarHBondContact O-N 3.17Š|
| 215 | E | 35.6 | Very low | 39.3 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | | | trans | -18 | 110 | 146.3 | 178.3 | 175.9 | 166.8 | 0 | 0 | 105.8 | C213 Q217 | C213-E215 PolarHBondContact O-N 3.37Å; E215-Q217 PolarHBondContact O-N 2.9Å |
| 216 | P | 44.5 | Very low | 38.4 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | | | trans | -59 | 100.8 | -179.9 | 21.4 | -30 | 0 | 0 | 0 | 104.7 | V218 | P216-V218 VanDerWaalsContact C-N 3.26Å; P216-V218 WeakPolarHBondContact O-CG2 3.37Å; P216-V218 PolarHBondContact O-N 3.11Å |
| 217 | Q | 30.3 | Very low | 38.4 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 65% | 0.654 | 76% | 0.755 | S | S | * | * | | | trans | -60.7 | 104.6 | 176.7 | -70 | -139.2 | -7.9 | 0 | 0 | 103.7 | E215 K219 | E215-Q217 PolarHBondContact O-N 2.9Å; Q217-K219 PolarHBondContact O-N 3.22Å |
| 218 | V | 34.4 | Very low | 38.1 | Very low | 95 Ų | 95 | 136.4 Ų | 136.4 | 58% | 0.576 | 76% | 0.761 | S | S | * | * | | | trans | -68.2 | 94.1 | 175.2 | -159.2 | 0 | 0 | 0 | 0 | 104 | P216 Y220 | P216-V218 VanDerWaalsContact C-N 3.26Å; P216-V218 WeakPolarHBondContact O-CG2 3.37Å; P216-V218 PolarHBondContact O-N 3.11Å; V218-Y220 HydrophobicContact CB-CD2 3.53Å; V218-Y220 HydrophobicContact CB-CE2 3.43Å; V218-Y220 VanDerWaalsContact CB-CE2 3.43Å; V218-Y220 HydrophobicContact CB-CG 4.47Å; V218-Y220 HydrophobicContact CG1-CD1 4.25Å; V218-Y220 HydrophobicContact CG1-CD2 3.32Å; V218-Y220 HydrophobicContact CG1-CE1 4.09Å; V218-Y220 HydrophobicContact CG1-CE2 3.13Å; V218-Y220 HydrophobicContact CG1-CG 3.89Å; V218-Y220 HydrophobicContact CG2-CE2 4.08Å; V218-Y220 PolarHBondContact O-N 3.34Å |
| 219 | K | 36.2 | Very low | 37.9 | Very low | 194 Ų | 194 | 135.8 Ų | 135.8 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | | | trans | -65.1 | 74.6 | 161.9 | -68.6 | -178.7 | -178 | 176.8 | 0 | 106.2 | Q217 S221 | Q217-K219 PolarHBondContact O-N 3.22Å; K219-S221 PolarHBondContact O-N 3.08Å |
| 220 | Y | 35.8 | Very low | 38.3 | Very low | 196 Ų | 196 | 133.4 Ų | 133.4 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | trans | -67.3 | 89.1 | 161.9 | -78.2 | -77.5 | 0 | 0 | 0 | 106.6 | V218 | V218-Y220 HydrophobicContact CB-CD2 3.53Å; V218-Y220 HydrophobicContact CB-CE2 3.43Å; V218-Y220 VanDerWaalsContact CB-CE2 3.43Å; V218-Y220 HydrophobicContact CB-CG 4.47Å; V218-Y220 HydrophobicContact CG1-CD1 4.25Å; V218-Y220 HydrophobicContact CG1-CD2 3.32Å; V218-Y220 HydrophobicContact CG1-CE1 4.09Å; V218-Y220 HydrophobicContact CG1-CE2 3.13Å; V218-Y220 HydrophobicContact CG1-CG 3.89Å; V218-Y220 HydrophobicContact CG2-CE2 4.08Å; V218-Y220 PolarHBondContact O-N 3.34Å |
| 221 | S | 47.8 | Very low | 39 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | | | trans | -159 | 121.3 | 152.7 | -85.8 | 0 | 0 | 0 | 0 | 110.8 | K219 | K219-S221 PolarHBondContact O-N 3.08Š|
| 222 | A | 41.8 | Very low | 39.9 | Very low | 89 Ų | 89 | 133.7 Ų | 133.7 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | | | trans | 81.1 | 75.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 223 | L | 37.2 | Very low | 40.9 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | | | | -126.3 | 82.7 | 112.7 | -80.5 | -168 | 0 | 0 | 0 | 110.1 | T225 | L223-T225 PolarHBondContact O-N 3.27Š|
| 224 | H | 38.5 | Very low | 41.8 | Very low | 183 Ų | 183 | 137.2 Ų | 137.2 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | | | trans | -67.9 | 100.3 | 143.1 | 178.8 | 91.2 | 0 | 0 | 0 | 106.8 | | |
| 225 | T | 33.4 | Very low | 42.5 | Very low | 99 Ų | 99 | 136 Ų | 136 | 61% | 0.607 | 76% | 0.76 | S | S | * | * | | | trans | -143.9 | 100.7 | 157.6 | -52.1 | 0 | 0 | 0 | 0 | 108 | L223 | L223-T225 PolarHBondContact O-N 3.27Š|
| 226 | Q | 33.4 | Very low | 43 | Very low | 162 Ų | 162 | 134 Ų | 134 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | | | trans | 63.8 | 97.9 | 139.7 | -145.7 | 168.7 | 31 | 0 | 0 | 115.8 | | |
| 227 | S | 40.9 | Very low | 42.9 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | | 53.1 | 93.3 | 86.2 | -169.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 228 | A | 33.5 | Very low | 43.5 | Very low | 98 Ų | 98 | 144.4 Ų | 144.4 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | | | trans | -160.9 | 87.9 | 146.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 229 | E | 40.8 | Very low | 43.9 | Very low | 177 Ų | 177 | 146.9 Ų | 146.9 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 130.5 | 168.1 | -177.8 | 174.1 | 168 | 0 | 0 | 110.1 | | |
| 230 | P | 50.6 | Low | 44.3 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 139.5 | 169.7 | 27.5 | -30.9 | 0 | 0 | 0 | 109.8 | | |
| 231 | P | 55.2 | Low | 44.8 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 150.4 | -173.1 | 25.8 | -34.3 | 0 | 0 | 0 | 112.5 | | |
| 232 | P | 55.3 | Low | 44.6 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 71% | 0.714 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 142.9 | -173.2 | 26.7 | -34.2 | 0 | 0 | 0 | 112.5 | E234 | P232-E234 PolarHBondContact O-N 3.05Š|
| 233 | P | 54.8 | Low | 44.8 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -70 | 127.2 | 165.6 | 27.8 | -30.5 | 0 | 0 | 0 | 109.9 | | |
| 234 | E | 55.8 | Low | 45.3 | Very low | 185 Ų | 185 | 145.3 Ų | 145.3 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 144.3 | 177.8 | -64.4 | -177.7 | 160.9 | 0 | 0 | 112.2 | P232 A236 | P232-E234 PolarHBondContact O-N 3.05Å; E234-A236 PolarHBondContact O-N 3.39Å |
| 235 | P | 56 | Low | 45.8 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 121.2 | 178.1 | 29.5 | -32.5 | 0 | 0 | 0 | 111.5 | R237 | P235-R237 PolarHBondContact O-N 3.27Š|
| 236 | A | 46.9 | Very low | 46.8 | Very low | 108 Ų | 108 | 145.9 Ų | 145.9 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | | | trans | -66.3 | 100.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | E234 | E234-A236 PolarHBondContact O-N 3.39Š|
| 237 | R | 43.3 | Very low | 47.9 | Very low | 225 Ų | 225 | 144.6 Ų | 144.6 | 85% | 0.849 | 84% | 0.841 | S | S | * | * | | | trans | -91.1 | 113.8 | 148.9 | -91 | -169.3 | -110.9 | -168 | -4.5 | 106.7 | P235 | P235-R237 PolarHBondContact O-N 3.27Š|
| 238 | I | 41.4 | Very low | 48.5 | Very low | 243 Ų | 243 | 147.2 Ų | 147.2 | 100% | 1.246 | 84% | 0.843 | S | S | * | * | | | | -169.5 | 0 | 112.3 | -67.3 | 129.6 | 0 | 0 | 0 | 106 | | |