| 1 | M | 45.5 | Very low | 43.4 | Very low | 233 Ų | 233 | 142.1 Ų | 142.1 | 100% | 1.148 | 79% | 0.794 | S | S | * | * | | | | 0 | 138.6 | 0 | -66.5 | 166.9 | 72.7 | 0 | 0 | 107.1 | | |
| 2 | S | 40.9 | Very low | 43.5 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | 47.8 | 109.1 | 170.5 | 49.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 3 | S | 43.5 | Very low | 43.4 | Very low | 116 Ų | 116 | 141 Ų | 141 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | | | | 65.4 | 130.6 | 77 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 4 | V | 47.3 | Very low | 42.9 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | | | cis | -140.8 | 123.5 | 33 | 165.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 5 | E | 43.4 | Very low | 42.8 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | | | | 70.3 | 106.1 | 97.2 | -137.5 | 151 | -135.9 | 0 | 0 | 113.3 | | |
| 6 | S | 43.6 | Very low | 42.6 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | | | | 66.1 | 135.7 | 94.1 | -59.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 7 | S | 42.6 | Very low | 42.1 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | cis | -149.4 | 179.9 | 22.8 | -165.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 8 | K | 45.2 | Very low | 42.3 | Very low | 171 Ų | 171 | 133.8 Ų | 133.8 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | trans | -73.4 | 144.8 | -168.8 | -50 | 159.9 | -179.8 | 173.1 | 0 | 115.5 | | |
| 9 | V | 42.1 | Very low | 42.1 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | | | | -153.2 | 95.5 | 118.4 | -175 | 0 | 0 | 0 | 0 | 107 | | |
| 10 | Q | 41.7 | Very low | 41.9 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 63% | 0.631 | 79% | 0.786 | S | S | * | * | | | | 57.2 | 98.5 | 88 | -79.2 | -151.4 | -79.8 | 0 | 0 | 118.1 | | |
| 11 | H | 42 | Very low | 41.9 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 63% | 0.63 | 78% | 0.779 | S | S | * | * | | | trans | 61.8 | 145.6 | 142.8 | -52.4 | -73.6 | 0 | 0 | 0 | 120.5 | | |
| 12 | H | 44.1 | Very low | 41.7 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | | | cis | -152.6 | 137.5 | -6 | -119.7 | -42.5 | 0 | 0 | 0 | 112.4 | | |
| 13 | N | 41.7 | Very low | 41.5 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 67% | 0.668 | 76% | 0.756 | S | S | * | * | | | trans | 37.5 | 119.6 | 141.1 | -64.1 | 25.8 | 0 | 0 | 0 | 122.3 | | |
| 14 | C | 36.8 | Very low | 41.3 | Very low | 123 Ų | 123 | 133 Ų | 133 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | | | | 69.5 | 122 | 123.9 | -58 | 0 | 0 | 0 | 0 | 120.3 | | |
| 15 | A | 41 | Very low | 41 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | | | trans | -83.7 | -168.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 16 | S | 40.2 | Very low | 40.7 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | | | trans | 74.7 | 106.6 | 166.1 | 55.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 17 | S | 34.3 | Very low | 40.4 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | | | trans | 69.5 | 122.7 | 145.6 | -153.2 | 0 | 0 | 0 | 0 | 120 | | |
| 18 | P | 45.9 | Very low | 40.2 | Very low | 129 Ų | 129 | 135 Ų | 135 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | | | trans | -84.9 | 115.4 | 170.2 | 33.2 | -30.7 | 0 | 0 | 0 | 111.9 | | |
| 19 | E | 38 | Very low | 39.7 | Very low | 165 Ų | 165 | 131.9 Ų | 131.9 | 77% | 0.771 | 72% | 0.72 | S | S | * | * | | | trans | -86.8 | 148.3 | 148 | -71.6 | -163.1 | 150.3 | 0 | 0 | 109.7 | | |
| 20 | F | 38.2 | Very low | 39.6 | Very low | 189 Ų | 189 | 129.4 Ų | 129.4 | 83% | 0.829 | 71% | 0.707 | S | S | * | * | | | trans | 147.9 | 141.4 | 146.7 | -73.2 | -17.2 | 0 | 0 | 0 | 110.5 | | |
| 21 | L | 41.5 | Very low | 39.7 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 63% | 0.634 | 72% | 0.716 | S | S | * | * | | | cis | -163.5 | 154.6 | -16.7 | -113.1 | 169.6 | 0 | 0 | 0 | 107.7 | | |
| 22 | K | 41.2 | Very low | 39.6 | Very low | 171 Ų | 171 | 134.2 Ų | 134.2 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | | | trans | 39 | 113 | 152 | -73.8 | 167.4 | -170.9 | 168.3 | 0 | 118.6 | | |
| 23 | S | 37.6 | Very low | 39.6 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | | | | 64.8 | 145.1 | 82.7 | 83.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 24 | T | 39.1 | Very low | 39.5 | Very low | 98 Ų | 98 | 136.2 Ų | 136.2 | 60% | 0.601 | 73% | 0.733 | S | S | * | * | | | | -166.1 | 141.4 | 57 | -62.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 25 | E | 41.2 | Very low | 39.5 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | | | trans | 31 | 149.7 | 149.8 | -52.1 | 162 | 157.9 | 0 | 0 | 120.8 | | |
| 26 | Y | 37.3 | Very low | 39.3 | Very low | 186 Ų | 186 | 140.8 Ų | 140.8 | 73% | 0.729 | 73% | 0.732 | S | S | * | * | | | cis | -148.2 | 142.4 | 40.4 | -84.2 | -94.1 | 0 | 0 | 0 | 109.9 | | |
| 27 | S | 37.7 | Very low | 39 | Very low | 93 Ų | 93 | 143.1 Ų | 143.1 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | | | | 68.1 | 131.2 | 80.2 | -141.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 28 | L | 37.1 | Very low | 39 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | | | cis | -167.2 | 138.1 | 4.2 | -134.5 | 175.6 | 0 | 0 | 0 | 111 | P30 | L28-P30 HydrophobicContact CD2-CG 4.1Š|
| 29 | D | 36.2 | Very low | 38.5 | Very low | 105 Ų | 105 | 146.8 Ų | 146.8 | 56% | 0.561 | 74% | 0.736 | S | S | * | * | | | trans | -163.6 | 123.6 | 141.3 | -167.6 | -46.7 | 0 | 0 | 0 | 110.2 | R31 | D29-R31 VanDerWaalsContact C-N 3.33Å; D29-R31 PolarHBondContact O-N 3.47Å; D29-R31 PolarHBondContact OD1-N 3.3Å |
| 30 | P | 39.6 | Very low | 38.3 | Very low | 90 Ų | 90 | 145.7 Ų | 145.7 | 58% | 0.584 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -5.1 | -177.1 | -19.6 | 34.5 | 0 | 0 | 0 | 117.5 | L28 N32 | L28-P30 HydrophobicContact CD2-CG 4.1Å; P30-N32 PolarHBondContact O-N 3.21Å |
| 31 | R | 43.8 | Very low | 37.9 | Very low | 214 Ų | 214 | 144.8 Ų | 144.8 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -15.9 | -171 | -78.2 | -179.7 | 167 | 168.7 | -2.1 | 116.2 | D29 K33 | D29-R31 VanDerWaalsContact C-N 3.33Å; D29-R31 PolarHBondContact O-N 3.47Å; D29-R31 PolarHBondContact OD1-N 3.3Å; R31-K33 PolarHBondContact O-N 3.37Å |
| 32 | N | 40.2 | Very low | 37.4 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 32.3 | -179.7 | -69.7 | -22.5 | 0 | 0 | 0 | 114.5 | P30 | P30-N32 PolarHBondContact O-N 3.21Š|
| 33 | K | 44.1 | Very low | 37.2 | Very low | 164 Ų | 164 | 142 Ų | 142 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 4.5 | -173.9 | -80.3 | -172.2 | 171.5 | -172.6 | 0 | 115.6 | R31 | R31-K33 PolarHBondContact O-N 3.37Š|
| 34 | L | 38.9 | Very low | 37 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -100.5 | -1.6 | -168.9 | -92 | 166.9 | 0 | 0 | 0 | 116.6 | | |
| 35 | F | 37.1 | Very low | 37 | Very low | 196 Ų | 196 | 142.8 Ų | 142.8 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | | | trans | -130.1 | 22.5 | 177.9 | -71.6 | -72.5 | 0 | 0 | 0 | 114.5 | D37 | F35-D37 PolarHBondContact O-N 3.44Š|
| 36 | T | 36.9 | Very low | 37 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | | | trans | -76.5 | 55.4 | 162.6 | 51.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 37 | D | 33.8 | Very low | 37.1 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 89% | 0.893 | 74% | 0.738 | S | S | * | * | | | trans | -164.2 | 58 | 166.1 | -98.8 | -28.4 | 0 | 0 | 0 | 112.1 | F35 | F35-D37 PolarHBondContact O-N 3.44Š|
| 38 | S | 34.2 | Very low | 37.1 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | | | trans | -149.6 | 69.5 | 159.4 | -165.6 | 0 | 0 | 0 | 0 | 111.4 | L40 | S38-L40 PolarHBondContact O-N 2.94Š|
| 39 | K | 34.5 | Very low | 37.6 | Very low | 215 Ų | 215 | 134.1 Ų | 134.1 | 94% | 0.935 | 72% | 0.72 | S | S | * | * | | | trans | -75.8 | 64.7 | 169.7 | -83.2 | -175.1 | 172.4 | 176.8 | 0 | 111 | | |
| 40 | L | 34 | Very low | 37.8 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -152 | 105.7 | 170.4 | -107.7 | 165.1 | 0 | 0 | 0 | 112.6 | S38 | S38-L40 PolarHBondContact O-N 2.94Š|
| 41 | M | 29.7 | Very low | 37.7 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 83% | 0.833 | 73% | 0.726 | S | S | * | * | | | trans | 33.8 | 89.4 | 147.3 | -59 | -60.7 | 178.5 | 0 | 0 | 118.9 | | |
| 42 | C | 32 | Very low | 37.6 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 84% | 0.838 | 71% | 0.714 | S | S | * | * | | | trans | -164.2 | 75.6 | 142.1 | -102.4 | 0 | 0 | 0 | 0 | 111.6 | S44 | C42-S44 PolarHBondContact O-N 3.44Å; C42-S44 VanDerWaalsContact O-N 3.12Å |
| 43 | S | 36.1 | Very low | 38 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 76% | 0.762 | 70% | 0.704 | S | S | * | * | | | trans | -67.8 | 107.6 | 173.6 | -56.4 | 0 | 0 | 0 | 0 | 110.5 | N45 V46 | S43-N45 PolarHBondContact O-N 3.39Å; S43-V46 WeakPolarHBondContact O-CG2 3.38Å |
| 44 | S | 34.3 | Very low | 38 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 78% | 0.776 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -76.3 | 55.6 | -173 | 57.9 | 0 | 0 | 0 | 0 | 114.6 | C42 | C42-S44 PolarHBondContact O-N 3.44Å; C42-S44 VanDerWaalsContact O-N 3.12Å |
| 45 | N | 37.7 | Very low | 38.3 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 55% | 0.551 | 68% | 0.675 | S | S | * | * | | | trans | -115.6 | 20.9 | 163.2 | -82.1 | 4.6 | 0 | 0 | 0 | 111.3 | S43 S47 E48 T49 | S43-N45 PolarHBondContact O-N 3.39Å; N45-S47 PolarHBondContact O-N 2.63Å; N45-E48 PolarHBondContact O-N 3.11Å; N45-T49 HydrophobicContact CB-CG2 4.3Å; N45-T49 PolarHBondContact O-N 2.87Å; N45-T49 VanDerWaalsContact O-N 3.16Å; N45-T49 PolarHBondContact O-OG1 2.9Å; N45-T49 VanDerWaalsContact O-OG1 3.13Å |
| 46 | V | 41.2 | Very low | 38.8 | Very low | 88 Ų | 88 | 125.2 Ų | 125.2 | 53% | 0.533 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.6 | -11.8 | -167.3 | -169.2 | 0 | 0 | 0 | 0 | 113.7 | S43 Y50 | S43-V46 WeakPolarHBondContact O-CG2 3.38Å; V46-Y50 HydrophobicContact CG1-CD2 4.02Å; V46-Y50 HydrophobicContact CG1-CE2 4.33Å; V46-Y50 WeakPolarHBondContact O-CB 3.32Å |
| 47 | S | 40.2 | Very low | 39.4 | Very low | 90 Ų | 90 | 121.8 Ų | 121.8 | 63% | 0.629 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -20.9 | 173.6 | 50 | 0 | 0 | 0 | 0 | 114.8 | N45 | N45-S47 PolarHBondContact O-N 2.63Š|
| 48 | E | 38.2 | Very low | 39.9 | Very low | 136 Ų | 136 | 118.4 Ų | 118.4 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | -39.5 | -174.4 | -66.7 | -170.8 | 137.4 | 0 | 0 | 112.6 | N45 Y50 W51 M52 | N45-E48 PolarHBondContact O-N 3.11Å; E48-Y50 PolarHBondContact O-N 3.45Å; E48-W51 PolarHBondContact O-N 3.16Å; E48-M52 PolarHBondContact O-N 3.39Å; E48-M52 VanDerWaalsContact O-N 3.14Å |
| 49 | T | 47.5 | Very low | 40.5 | Very low | 66 Ų | 66 | 118 Ų | 118 | 41% | 0.405 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.7 | -27.3 | 173.1 | 51.2 | 0 | 0 | 0 | 0 | 112.4 | N45 M52 Q53 | N45-T49 HydrophobicContact CB-CG2 4.3Å; N45-T49 PolarHBondContact O-N 2.87Å; N45-T49 VanDerWaalsContact O-N 3.16Å; N45-T49 PolarHBondContact O-OG1 2.9Å; N45-T49 VanDerWaalsContact O-OG1 3.13Å; T49-M52 PolarHBondContact O-N 3.37Å; T49-Q53 WeakPolarHBondContact O-CB 3.44Å; T49-Q53 PolarHBondContact O-N 3.48Å |
| 50 | Y | 40.2 | Very low | 41.1 | Very low | 148 Ų | 148 | 110.1 Ų | 110.1 | 58% | 0.58 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.5 | -42.1 | 176.5 | -121.3 | -95.6 | 0 | 0 | 0 | 112.6 | V46 E48 Q53 L54 | V46-Y50 HydrophobicContact CG1-CD2 4.02Å; V46-Y50 HydrophobicContact CG1-CE2 4.33Å; V46-Y50 WeakPolarHBondContact O-CB 3.32Å; E48-Y50 PolarHBondContact O-N 3.45Å; Y50-Q53 PolarHBondContact O-N 3.13Å; Y50-L54 HydrophobicContact CD1-CD1 4.43Å; Y50-L54 WeakPolarHBondContact O-CB 3.48Å; Y50-L54 VanDerWaalsContact O-CG 3.29Å; Y50-L54 WeakPolarHBondContact O-CG 3.39Å; Y50-L54 PolarHBondContact O-N 3.2Å |
| 51 | W | 36.3 | Very low | 41.7 | Very low | 180 Ų | 180 | 111.2 Ų | 111.2 | 68% | 0.682 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.9 | -43.2 | 174.3 | -68.9 | 114.8 | 0 | 0 | 0 | 111.1 | E48 Q53 L54 D55 | E48-W51 PolarHBondContact O-N 3.16Å; W51-Q53 PolarHBondContact O-N 3.07Å; W51-L54 HydrophobicContact CE3-CD1 3.85Å; W51-L54 HydrophobicContact CZ3-CD1 3.97Å; W51-L54 PolarHBondContact O-N 3Å; W51-D55 WeakPolarHBondContact O-CB 3.45Å; W51-D55 PolarHBondContact O-N 3.17Å |
| 52 | M | 42.8 | Very low | 42.4 | Very low | 115 Ų | 115 | 109 Ų | 109 | 57% | 0.567 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.7 | -30.2 | 173.1 | -73.7 | 175.8 | 57.4 | 0 | 0 | 113.8 | E48 T49 K56 | E48-M52 PolarHBondContact O-N 3.39Å; E48-M52 VanDerWaalsContact O-N 3.14Å; T49-M52 PolarHBondContact O-N 3.37Å; M52-K56 WeakPolarHBondContact O-CG 3.42Å; M52-K56 PolarHBondContact O-N 3.22Å |
| 53 | Q | 48.7 | Very low | 43.1 | Very low | 136 Ų | 136 | 109.3 Ų | 109.3 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -84.7 | -32 | 178.4 | -166.7 | 162.3 | 4.7 | 0 | 0 | 112.1 | T49 Y50 W51 K56 S57 | T49-Q53 WeakPolarHBondContact O-CB 3.44Å; T49-Q53 PolarHBondContact O-N 3.48Å; Y50-Q53 PolarHBondContact O-N 3.13Å; W51-Q53 PolarHBondContact O-N 3.07Å; Q53-K56 PolarHBondContact O-N 3.39Å; Q53-S57 PolarHBondContact O-N 2.94Å |
| 54 | L | 43.7 | Very low | 43.6 | Very low | 80 Ų | 80 | 109.4 Ų | 109.4 | 42% | 0.419 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.9 | -42.6 | 165.7 | -76.1 | 167.7 | 0 | 0 | 0 | 111.1 | Y50 W51 S57 L58 | Y50-L54 HydrophobicContact CD1-CD1 4.43Å; Y50-L54 WeakPolarHBondContact O-CB 3.48Å; Y50-L54 VanDerWaalsContact O-CG 3.29Å; Y50-L54 WeakPolarHBondContact O-CG 3.39Å; Y50-L54 PolarHBondContact O-N 3.2Å; W51-L54 HydrophobicContact CE3-CD1 3.85Å; W51-L54 HydrophobicContact CZ3-CD1 3.97Å; W51-L54 PolarHBondContact O-N 3Å; L54-S57 CarbonylContact O-C 3.51Å; L54-S57 WeakPolarHBondContact O-CA 3.49Å; L54-S57 WeakPolarHBondContact O-CB 3.44Å; L54-S57 PolarHBondContact O-N 3.38Å; L54-S57 VanDerWaalsContact O-N 3.07Å; L54-S57 PolarHBondContact O-OG 3.16Å; L54-L58 PolarHBondContact O-N 3.21Å |
| 55 | D | 45.7 | Very low | 44.2 | Very low | 87 Ų | 87 | 110.5 Ų | 110.5 | 47% | 0.465 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 173.9 | -83 | -27.8 | 0 | 0 | 0 | 112 | W51 S57 L58 I59 | W51-D55 WeakPolarHBondContact O-CB 3.45Å; W51-D55 PolarHBondContact O-N 3.17Å; D55-S57 VanDerWaalsContact C-N 3.25Å; D55-S57 PolarHBondContact O-N 3.07Å; D55-L58 CarbonylContact O-C 3.51Å; D55-L58 WeakPolarHBondContact O-CA 3.27Å; D55-L58 VanDerWaalsContact O-CB 3.31Å; D55-L58 WeakPolarHBondContact O-CB 3.33Å; D55-L58 PolarHBondContact O-N 3.25Å; D55-I59 WeakPolarHBondContact O-CB 3.47Å; D55-I59 VanDerWaalsContact O-CG1 3.27Å; D55-I59 WeakPolarHBondContact O-CG1 3.39Å; D55-I59 PolarHBondContact O-N 3.31Å |
| 56 | K | 46.5 | Very low | 44.6 | Very low | 144 Ų | 144 | 109 Ų | 109 | 63% | 0.626 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.2 | -35.4 | 170.7 | -75.8 | 174.4 | -179.4 | -175.5 | 0 | 112.4 | M52 Q53 L58 A60 | M52-K56 WeakPolarHBondContact O-CG 3.42Å; M52-K56 PolarHBondContact O-N 3.22Å; Q53-K56 PolarHBondContact O-N 3.39Å; K56-L58 VanDerWaalsContact C-N 3.35Å; K56-A60 WeakPolarHBondContact O-CB 3.5Å; K56-A60 PolarHBondContact O-N 3.32Å |
| 57 | S | 49.6 | Very low | 44.8 | Very low | 44 Ų | 44 | 108.9 Ų | 108.9 | 31% | 0.308 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -72 | -27.4 | 171.8 | 87.9 | 0 | 0 | 0 | 0 | 113.3 | Q53 L54 D55 R61 | Q53-S57 PolarHBondContact O-N 2.94Å; L54-S57 CarbonylContact O-C 3.51Å; L54-S57 WeakPolarHBondContact O-CA 3.49Å; L54-S57 WeakPolarHBondContact O-CB 3.44Å; L54-S57 PolarHBondContact O-N 3.38Å; L54-S57 VanDerWaalsContact O-N 3.07Å; L54-S57 PolarHBondContact O-OG 3.16Å; D55-S57 VanDerWaalsContact C-N 3.25Å; D55-S57 PolarHBondContact O-N 3.07Å; S57-R61 WeakPolarHBondContact O-CB 3.23Å; S57-R61 WeakPolarHBondContact O-CD 3.4Å; S57-R61 WeakPolarHBondContact O-CG 3.39Å; S57-R61 PolarHBondContact O-N 3.5Å; S57-R61 VanDerWaalsContact O-N 3.1Å |
| 58 | L | 44.6 | Very low | 45.1 | Very low | 95 Ų | 95 | 109.2 Ų | 109.2 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -73.3 | -43.3 | 175.4 | -158.4 | 76.3 | 0 | 0 | 0 | 110.6 | L54 D55 K56 R61 Q62 | L54-L58 PolarHBondContact O-N 3.21Å; D55-L58 CarbonylContact O-C 3.51Å; D55-L58 WeakPolarHBondContact O-CA 3.27Å; D55-L58 VanDerWaalsContact O-CB 3.31Å; D55-L58 WeakPolarHBondContact O-CB 3.33Å; D55-L58 PolarHBondContact O-N 3.25Å; K56-L58 VanDerWaalsContact C-N 3.35Å; L58-R61 CarbonylContact O-C 3.47Å; L58-R61 WeakPolarHBondContact O-CA 3.26Å; L58-R61 WeakPolarHBondContact O-CB 3.46Å; L58-R61 PolarHBondContact O-N 3.1Å; L58-Q62 WeakPolarHBondContact O-CB 3.43Å; L58-Q62 PolarHBondContact O-N 3.29Å |
| 59 | I | 46.6 | Very low | 45.3 | Very low | 96 Ų | 96 | 106.7 Ų | 106.7 | 49% | 0.492 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64 | -46.6 | 175.4 | -67.8 | 162.5 | 0 | 0 | 0 | 110.4 | D55 R61 Q62 E63 | D55-I59 WeakPolarHBondContact O-CB 3.47Å; D55-I59 VanDerWaalsContact O-CG1 3.27Å; D55-I59 WeakPolarHBondContact O-CG1 3.39Å; D55-I59 PolarHBondContact O-N 3.31Å; I59-R61 VanDerWaalsContact C-N 3.27Å; I59-R61 PolarHBondContact O-N 3.05Å; I59-Q62 CarbonylContact O-C 3.47Å; I59-Q62 WeakPolarHBondContact O-CA 3.38Å; I59-Q62 WeakPolarHBondContact O-CB 3.29Å; I59-Q62 PolarHBondContact O-N 3.17Å; I59-E63 PolarHBondContact O-N 2.99Å |
| 60 | A | 48.7 | Very low | 45.2 | Very low | 48 Ų | 48 | 111.2 Ų | 111.2 | 40% | 0.397 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.8 | -37.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K56 Q62 V64 | K56-A60 WeakPolarHBondContact O-CB 3.5Å; K56-A60 PolarHBondContact O-N 3.32Å; A60-Q62 PolarHBondContact O-N 3.01Å; A60-V64 VanDerWaalsContact O-CG2 3.29Å; A60-V64 WeakPolarHBondContact O-CG2 3.42Å; A60-V64 PolarHBondContact O-N 3.08Å; A60-V64 VanDerWaalsContact O-N 3.14Å |
| 61 | R | 46.3 | Very low | 45.2 | Very low | 166 Ų | 166 | 111.8 Ų | 111.8 | 63% | 0.626 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -74 | -6.1 | 171.3 | -75.2 | 170.2 | 172.7 | 169.6 | -1 | 114.2 | S57 L58 I59 K65 | S57-R61 WeakPolarHBondContact O-CB 3.23Å; S57-R61 WeakPolarHBondContact O-CD 3.4Å; S57-R61 WeakPolarHBondContact O-CG 3.39Å; S57-R61 PolarHBondContact O-N 3.5Å; S57-R61 VanDerWaalsContact O-N 3.1Å; L58-R61 CarbonylContact O-C 3.47Å; L58-R61 WeakPolarHBondContact O-CA 3.26Å; L58-R61 WeakPolarHBondContact O-CB 3.46Å; L58-R61 PolarHBondContact O-N 3.1Å; I59-R61 VanDerWaalsContact C-N 3.27Å; I59-R61 PolarHBondContact O-N 3.05Å; R61-K65 WeakPolarHBondContact O-CD 3.08Å; R61-K65 WeakPolarHBondContact O-CG 3.39Å |
| 62 | Q | 43.1 | Very low | 45.4 | Very low | 124 Ų | 124 | 112.6 Ų | 112.6 | 58% | 0.579 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -103.4 | -28.9 | 177.9 | -166.3 | 156.3 | -16.6 | 0 | 0 | 111.3 | L58 I59 A60 K65 S66 | L58-Q62 WeakPolarHBondContact O-CB 3.43Å; L58-Q62 PolarHBondContact O-N 3.29Å; I59-Q62 CarbonylContact O-C 3.47Å; I59-Q62 WeakPolarHBondContact O-CA 3.38Å; I59-Q62 WeakPolarHBondContact O-CB 3.29Å; I59-Q62 PolarHBondContact O-N 3.17Å; A60-Q62 PolarHBondContact O-N 3.01Å; Q62-K65 CarbonylContact O-C 3.35Å; Q62-K65 WeakPolarHBondContact O-CA 3.48Å; Q62-K65 WeakPolarHBondContact O-CB 3.06Å; Q62-K65 PolarHBondContact O-N 3.03Å; Q62-S66 PolarHBondContact O-N 2.77Å |
| 63 | E | 47.9 | Very low | 45.6 | Very low | 130 Ų | 130 | 110.6 Ų | 110.6 | 61% | 0.607 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.2 | -39.7 | 163.3 | -68.3 | 173.8 | 156.7 | 0 | 0 | 110.9 | I59 K65 S66 A67 | I59-E63 PolarHBondContact O-N 2.99Å; E63-K65 PolarHBondContact O-N 2.78Å; E63-S66 WeakPolarHBondContact CA-OG 3.48Å; E63-S66 PolarHBondContact O-N 3.14Å; E63-S66 PolarHBondContact O-OG 3.5Å; E63-A67 PolarHBondContact O-N 3.3Å |
| 64 | V | 46.6 | Very low | 45.2 | Very low | 110 Ų | 110 | 109.4 Ų | 109.4 | 67% | 0.667 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.5 | -5.5 | 166.1 | 173.4 | 0 | 0 | 0 | 0 | 112.8 | A60 | A60-V64 VanDerWaalsContact O-CG2 3.29Å; A60-V64 WeakPolarHBondContact O-CG2 3.42Å; A60-V64 PolarHBondContact O-N 3.08Å; A60-V64 VanDerWaalsContact O-N 3.14Å |
| 65 | K | 46.6 | Very low | 45 | Very low | 134 Ų | 134 | 113.1 Ų | 113.1 | 58% | 0.583 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -114.2 | -20.3 | 171.5 | -73.4 | 174.9 | -179.3 | 175.7 | 0 | 114.8 | R61 Q62 E63 A67 V68 T69 | R61-K65 WeakPolarHBondContact O-CD 3.08Å; R61-K65 WeakPolarHBondContact O-CG 3.39Å; Q62-K65 CarbonylContact O-C 3.35Å; Q62-K65 WeakPolarHBondContact O-CA 3.48Å; Q62-K65 WeakPolarHBondContact O-CB 3.06Å; Q62-K65 PolarHBondContact O-N 3.03Å; E63-K65 PolarHBondContact O-N 2.78Å; K65-A67 PolarHBondContact O-N 2.82Å; K65-V68 CarbonylContact O-C 3.55Å; K65-V68 VanDerWaalsContact O-CA 3.28Å; K65-V68 WeakPolarHBondContact O-CA 3.4Å; K65-V68 WeakPolarHBondContact O-CB 3.41Å; K65-V68 PolarHBondContact O-N 2.77Å; K65-T69 PolarHBondContact O-N 3.49Å; K65-T69 PolarHBondContact O-OG1 3.01Å |
| 66 | S | 45.1 | Very low | 44.8 | Very low | 71 Ų | 71 | 115.5 Ų | 115.5 | 50% | 0.497 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.8 | -31.1 | 167.4 | 52.8 | 0 | 0 | 0 | 0 | 110.5 | Q62 E63 V68 T69 D70 | Q62-S66 PolarHBondContact O-N 2.77Å; E63-S66 WeakPolarHBondContact CA-OG 3.48Å; E63-S66 PolarHBondContact O-N 3.14Å; E63-S66 PolarHBondContact O-OG 3.5Å; S66-V68 PolarHBondContact O-N 3.14Å; S66-T69 PolarHBondContact O-N 3.33Å; S66-D70 PolarHBondContact O-N 3.45Å |
| 67 | A | 45.8 | Very low | 44.5 | Very low | 86 Ų | 86 | 113.7 Ų | 113.7 | 71% | 0.711 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -1.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E63 K65 | E63-A67 PolarHBondContact O-N 3.3Å; K65-A67 PolarHBondContact O-N 2.82Å |
| 68 | V | 47.4 | Very low | 43.9 | Very low | 97 Ų | 97 | 120.1 Ų | 120.1 | 59% | 0.588 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.8 | -6.5 | 179.9 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | K65 S66 | K65-V68 CarbonylContact O-C 3.55Å; K65-V68 VanDerWaalsContact O-CA 3.28Å; K65-V68 WeakPolarHBondContact O-CA 3.4Å; K65-V68 WeakPolarHBondContact O-CB 3.41Å; K65-V68 PolarHBondContact O-N 2.77Å; S66-V68 PolarHBondContact O-N 3.14Å |
| 69 | T | 41.2 | Very low | 43.6 | Very low | 83 Ų | 83 | 121.9 Ų | 121.9 | 51% | 0.509 | 65% | 0.65 | S | S | . | * | | | trans | -121.7 | 20.6 | -178.9 | 64.1 | 0 | 0 | 0 | 0 | 114.5 | K65 S66 M71 | K65-T69 PolarHBondContact O-N 3.49Å; K65-T69 PolarHBondContact O-OG1 3.01Å; S66-T69 PolarHBondContact O-N 3.33Å; T69-M71 CarbonylContact C-O 3.33Å; T69-M71 CarbonylContact O-C 3.36Å; T69-M71 PolarHBondContact O-N 3.11Å |
| 70 | D | 45.3 | Very low | 43.1 | Very low | 161 Ų | 161 | 124.3 Ų | 124.3 | 86% | 0.861 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -56.3 | -31.6 | 152.1 | -157 | 13.3 | 0 | 0 | 0 | 109.6 | S66 K72 | S66-D70 PolarHBondContact O-N 3.45Å; D70-K72 PolarHBondContact O-N 3.09Å; D70-K72 VanDerWaalsContact O-N 3.1Å |
| 71 | M | 40.6 | Very low | 42.4 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 79% | 0.788 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | 109.5 | 156.5 | -66.1 | 178.9 | 68.2 | 0 | 0 | 111.8 | T69 | T69-M71 CarbonylContact C-O 3.33Å; T69-M71 CarbonylContact O-C 3.36Å; T69-M71 PolarHBondContact O-N 3.11Å |
| 72 | K | 41.6 | Very low | 41.7 | Very low | 197 Ų | 197 | 131.8 Ų | 131.8 | 86% | 0.857 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 113.4 | -0.9 | 149.3 | -154.5 | 165.5 | -174.7 | 170.4 | 0 | 118.4 | D70 | D70-K72 PolarHBondContact O-N 3.09Å; D70-K72 VanDerWaalsContact O-N 3.1Å |
| 73 | A | 46 | Very low | 41.2 | Very low | 73 Ų | 73 | 136.7 Ų | 136.7 | 60% | 0.603 | 71% | 0.708 | S | S | * | * | | | trans | -91 | 6.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | Y270 | A73-Y270 WeakPolarHBondContact O-CE2 3.32Å; A73-Y270 PolarHBondContact O-OH 3.33Å |
| 74 | Q | 39.6 | Very low | 40.7 | Very low | 112 Ų | 112 | 136 Ų | 136 | 52% | 0.523 | 72% | 0.715 | S | S | . | * | S | Bend | trans | -94.7 | 20.3 | 179.1 | -143.4 | -171 | 24.8 | 0 | 0 | 114.5 | S269 Y270 | Q74-S269 PolarHBondContact NE2-O 3.27Å; Q74-Y270 HydrophobicContact CG-CD2 3.88Å; Q74-Y270 HydrophobicContact CG-CE2 4.19Å; Q74-Y270 HydrophobicContact CG-CG 4.19Å; Q74-Y270 WeakPolarHBondContact O-CD1 3.33Å; Q74-Y270 WeakPolarHBondContact O-CE1 3.44Å |
| 75 | K | 41.5 | Very low | 40.2 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -152.1 | 137.8 | 174.8 | -77.6 | -171.3 | -178 | 173.6 | 0 | 108.5 | Y270 | K75-Y270 PolarHBondContact N-OH 3.17Å; K75-Y270 VanDerWaalsContact N-OH 3.16Å |
| 76 | D | 39.9 | Very low | 39.5 | Very low | 137 Ų | 137 | 136 Ų | 136 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | | | cis | -139.1 | 81 | -7.2 | -79.8 | -51.8 | 0 | 0 | 0 | 108.1 | F78 | D76-F78 PolarHBondContact O-N 3.1Š|
| 77 | V | 40.5 | Very low | 39.1 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | | | trans | -79.3 | 101.5 | -170.7 | 165 | 0 | 0 | 0 | 0 | 112.4 | Y270 | V77-Y270 WeakPolarHBondContact CG2-OH 3.49Š|
| 78 | F | 38 | Very low | 38.3 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | trans | 49.7 | 90.2 | 149.6 | -64.9 | -97 | 0 | 0 | 0 | 119 | D76 | D76-F78 PolarHBondContact O-N 3.1Š|
| 79 | S | 38 | Very low | 37.8 | Very low | 133 Ų | 133 | 148.8 Ų | 148.8 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | | | trans | -111.4 | 80.5 | 152.8 | 46.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 80 | L | 35.9 | Very low | 37.6 | Very low | 146 Ų | 146 | 154.2 Ų | 154.2 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | | | trans | -116.8 | 120 | 175.8 | -121.7 | 176.6 | 0 | 0 | 0 | 110.2 | | |
| 81 | N | 34.7 | Very low | 37.2 | Very low | 159 Ų | 159 | 152.4 Ų | 152.4 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | | | trans | -157 | 160.7 | 173.9 | -109.5 | -48 | 0 | 0 | 0 | 112 | | |
| 82 | Y | 31.3 | Very low | 37 | Very low | 212 Ų | 212 | 152 Ų | 152 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | | | trans | 79.5 | 80.5 | 168 | -115.8 | -86 | 0 | 0 | 0 | 121.3 | | |
| 83 | R | 32.3 | Very low | 36.7 | Very low | 228 Ų | 228 | 148.2 Ų | 148.2 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | | 34 | 150.9 | 129.8 | -91.7 | -170.8 | 163.1 | 172.9 | -3.6 | 124 | | |
| 84 | P | 37.2 | Very low | 36.3 | Very low | 115 Ų | 115 | 150 Ų | 150 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | | | trans | -104.3 | 173.6 | -174.7 | 42.6 | -36.9 | 0 | 0 | 0 | 115.2 | | |
| 85 | T | 35.8 | Very low | 36 | Very low | 149 Ų | 149 | 155.5 Ų | 155.5 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | | | trans | -145.5 | 160.6 | 158.8 | 0.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 86 | S | 31.3 | Very low | 35.8 | Very low | 96 Ų | 96 | 158.3 Ų | 158.3 | 67% | 0.671 | 81% | 0.805 | S | S | * | * | | | trans | -88.5 | 155 | -168.5 | 51.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 87 | K | 37.5 | Very low | 35.7 | Very low | 190 Ų | 190 | 156.4 Ų | 156.4 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | | | | -178.1 | 152.7 | 114.8 | -96.1 | 159.4 | -174.2 | 176.8 | 0 | 113.1 | | |
| 88 | T | 29.9 | Very low | 35.4 | Very low | 131 Ų | 131 | 162.5 Ų | 162.5 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -93 | 141.2 | 177.4 | 41.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 89 | F | 35.8 | Very low | 35.4 | Very low | 200 Ų | 200 | 163.1 Ų | 163.1 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | | | trans | -135.8 | 140.7 | 160.1 | -81.6 | -79 | 0 | 0 | 0 | 111 | | |
| 90 | K | 36.1 | Very low | 35.2 | Very low | 198 Ų | 198 | 161.3 Ų | 161.3 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | | | trans | -108.5 | 131.4 | 175.6 | -58.9 | 171.7 | 179.8 | 175.1 | 0 | 108.9 | | |
| 91 | T | 38.7 | Very low | 35.2 | Very low | 122 Ų | 122 | 161.8 Ų | 161.8 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | trans | 176.2 | 148.1 | 154.4 | 39.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 92 | N | 35.9 | Very low | 35.1 | Very low | 152 Ų | 152 | 163.7 Ų | 163.7 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | | | cis | -160 | 160.7 | -18.6 | -100.7 | -16.3 | 0 | 0 | 0 | 106.9 | | |
| 93 | S | 35 | Very low | 35.4 | Very low | 118 Ų | 118 | 159.9 Ų | 159.9 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | -127.8 | 135.4 | 172.2 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 94 | P | 37.5 | Very low | 35.4 | Very low | 111 Ų | 111 | 158.6 Ų | 158.6 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | | | trans | -137.4 | 119.9 | 149.3 | 33.2 | -16.5 | 0 | 0 | 0 | 114.5 | | |
| 95 | R | 32.4 | Very low | 35.4 | Very low | 226 Ų | 226 | 159.5 Ų | 159.5 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | | | | 16.9 | 135 | 127.4 | -50.3 | 168 | -176.9 | 165.3 | -0.5 | 118.5 | | |
| 96 | Y | 37.8 | Very low | 35.3 | Very low | 218 Ų | 218 | 158.7 Ų | 158.7 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | | | | -169.2 | 108.5 | 123.5 | -99 | -67 | 0 | 0 | 0 | 111.6 | | |
| 97 | S | 38.2 | Very low | 35.8 | Very low | 96 Ų | 96 | 163.8 Ų | 163.8 | 67% | 0.671 | 81% | 0.81 | S | S | * | * | | | | 54.2 | 120.4 | 117.9 | 74.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 98 | R | 35.1 | Very low | 36 | Very low | 234 Ų | 234 | 163 Ų | 163 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | | 82.1 | 105.4 | 53.7 | -174.3 | -166.5 | -169.1 | -171.9 | 6.3 | 114.2 | | |
| 99 | K | 37.6 | Very low | 36.3 | Very low | 192 Ų | 192 | 165.3 Ų | 165.3 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | trans | 154.2 | 130 | 154.4 | -86.5 | 155.6 | -176.5 | -177.2 | 0 | 107.1 | | |
| 100 | S | 33.3 | Very low | 36.3 | Very low | 94 Ų | 94 | 161.1 Ų | 161.1 | 66% | 0.657 | 80% | 0.803 | S | S | * | * | | | cis | 102.2 | 111.7 | 25.1 | 72.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 101 | L | 35.2 | Very low | 36 | Very low | 157 Ų | 157 | 158 Ų | 158 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | | -172 | 157.9 | 122.2 | -124.5 | 76 | 0 | 0 | 0 | 112.5 | | |
| 102 | K | 33.5 | Very low | 35.7 | Very low | 199 Ų | 199 | 161.6 Ų | 161.6 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | | | trans | -97.1 | 145.7 | 156.7 | -73.8 | 179.1 | 174.6 | 179.8 | 0 | 108.1 | | |
| 103 | T | 37.6 | Very low | 35.6 | Very low | 131 Ų | 131 | 163.5 Ų | 163.5 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | -142.9 | 137.1 | 160.6 | -34.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 104 | Y | 31.7 | Very low | 35.7 | Very low | 201 Ų | 201 | 165.3 Ų | 165.3 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | | | trans | -74.9 | 158.5 | 173.3 | -111.1 | -112.1 | 0 | 0 | 0 | 111.8 | | |
| 105 | C | 38.3 | Very low | 35.6 | Very low | 134 Ų | 134 | 163.9 Ų | 163.9 | 91% | 0.905 | 79% | 0.791 | S | S | * | * | | | trans | -156 | 132.1 | 148 | -130 | 0 | 0 | 0 | 0 | 112 | | |
| 106 | N | 33.8 | Very low | 35.6 | Very low | 132 Ų | 132 | 161.4 Ų | 161.4 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | -112.5 | 136 | -176.8 | -89.6 | -35.8 | 0 | 0 | 0 | 111.8 | | |
| 107 | K | 41.4 | Very low | 35.3 | Very low | 203 Ų | 203 | 158.7 Ų | 158.7 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -145.2 | 108.6 | 152.8 | -75.7 | -176.2 | 176.7 | 178 | 0 | 106.2 | | |
| 108 | K | 40.4 | Very low | 35.1 | Very low | 175 Ų | 175 | 159.9 Ų | 159.9 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | | | | 67.3 | 141 | 60 | -76.7 | -156.1 | 171.1 | -171.2 | 0 | 114.7 | | |
| 109 | H | 37.7 | Very low | 35.1 | Very low | 178 Ų | 178 | 155.4 Ų | 155.4 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | | | trans | 75.1 | 137.8 | 179.6 | -48.7 | -80.6 | 0 | 0 | 0 | 114.3 | | |
| 110 | S | 34.1 | Very low | 34.7 | Very low | 112 Ų | 112 | 153 Ų | 153 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | cis | -146 | 149.1 | -6 | -160.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 111 | T | 31.1 | Very low | 34.8 | Very low | 134 Ų | 134 | 153.3 Ų | 153.3 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | trans | -89.4 | 147 | 164.7 | 37.4 | 0 | 0 | 0 | 0 | 111 | | |
| 112 | Y | 31.9 | Very low | 34.7 | Very low | 196 Ų | 196 | 152.3 Ų | 152.3 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -142.2 | 143.7 | 158.2 | -162.4 | -108 | 0 | 0 | 0 | 109.2 | Q114 | Y112-Q114 HydrophobicContact CE1-CG 3.88Š|
| 113 | K | 34.6 | Very low | 34.7 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | | | trans | -122.8 | 131.2 | 176.5 | -92 | -166.6 | 173.4 | -167.9 | 0 | 108.9 | | |
| 114 | Q | 36.6 | Very low | 34.5 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | | | trans | -130.5 | 117.9 | 146 | -74.2 | 174.8 | -70.2 | 0 | 0 | 104.9 | Y112 | Y112-Q114 HydrophobicContact CE1-CG 3.88Š|
| 115 | S | 35.2 | Very low | 34.5 | Very low | 81 Ų | 81 | 147.2 Ų | 147.2 | 57% | 0.566 | 79% | 0.785 | S | S | * | * | | | | 70.5 | 92.6 | 57.9 | 79.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 116 | E | 31.6 | Very low | 34.2 | Very low | 174 Ų | 174 | 146 Ų | 146 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | 45.9 | 118 | 131.7 | -64.1 | 155.5 | 132.8 | 0 | 0 | 118.3 | | |
| 117 | N | 33.3 | Very low | 34 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | | | | -155.8 | 142.8 | 102 | -96.6 | -37.2 | 0 | 0 | 0 | 112.4 | | |
| 118 | T | 32.8 | Very low | 33.5 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | trans | -72.8 | 140 | 171.3 | 46.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 119 | T | 34.6 | Very low | 33.2 | Very low | 140 Ų | 140 | 140 Ų | 140 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | | | trans | -151.2 | 120 | 135 | -52.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 120 | D | 30.2 | Very low | 32.7 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | | | trans | -71.8 | 146.5 | 171.2 | -58.6 | -83.5 | 0 | 0 | 0 | 111.7 | | |
| 121 | S | 35.4 | Very low | 32.6 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | | | | 170.4 | 150.5 | 117 | 51.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 122 | N | 33.4 | Very low | 32.7 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | 77.3 | 115.8 | 150.4 | -59 | -24 | 0 | 0 | 0 | 121.5 | | |
| 123 | N | 32.2 | Very low | 32.9 | Very low | 148 Ų | 148 | 133 Ų | 133 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | trans | 82.9 | 77.3 | 132.7 | -57.8 | -7.5 | 0 | 0 | 0 | 121.3 | | |
| 124 | S | 34 | Very low | 33.1 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | | | | -168.9 | 107.7 | 123.2 | 15.7 | 0 | 0 | 0 | 0 | 109 | | |
| 125 | L | 32.9 | Very low | 33.4 | Very low | 161 Ų | 161 | 131.5 Ų | 131.5 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | | | | 60.1 | 101.3 | 85.4 | -74.3 | 171.6 | 0 | 0 | 0 | 114.6 | | |
| 126 | S | 30.2 | Very low | 34 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | trans | 44.8 | 137.9 | 135.3 | -51.1 | 0 | 0 | 0 | 0 | 121.3 | | |
| 127 | S | 30.2 | Very low | 34.7 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | | | cis | -169.8 | 162.1 | -5.7 | 44.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 128 | T | 31.7 | Very low | 35.2 | Very low | 120 Ų | 120 | 123.7 Ų | 123.7 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | | | trans | 24.9 | 98.4 | 146 | -41.5 | 0 | 0 | 0 | 0 | 116.8 | | |
| 129 | I | 32.8 | Very low | 36.2 | Very low | 163 Ų | 163 | 123.6 Ų | 123.6 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | | | | 56.1 | 118.8 | 87.8 | -58.5 | 168.4 | 0 | 0 | 0 | 114 | | |
| 130 | G | 28.8 | Very low | 37.1 | Very low | 61 Ų | 61 | 121 Ų | 121 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | | | trans | 102.6 | 120.4 | 136 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 131 | I | 30.6 | Very low | 38 | Very low | 162 Ų | 162 | 119.7 Ų | 119.7 | 83% | 0.831 | 70% | 0.703 | S | S | * | * | | | trans | 69.8 | 101.4 | 137.8 | -56.1 | 177.1 | 0 | 0 | 0 | 118.3 | | |
| 132 | S | 33.3 | Very low | 39.4 | Very low | 78 Ų | 78 | 120.3 Ų | 120.3 | 55% | 0.545 | 70% | 0.698 | S | S | . | * | | | trans | 31.8 | 129.9 | 147.1 | 68.3 | 0 | 0 | 0 | 0 | 122.1 | | |
| 133 | N | 37.4 | Very low | 40.7 | Very low | 174 Ų | 174 | 116.4 Ų | 116.4 | 93% | 0.93 | 69% | 0.685 | S | S | * | * | | | trans | -139.2 | 87.7 | 131.8 | -103.2 | -45.6 | 0 | 0 | 0 | 111.2 | | |
| 134 | N | 37.4 | Very low | 41.8 | Very low | 132 Ų | 132 | 113.6 Ų | 113.6 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | | | trans | -77 | 126.9 | -179.3 | -68.3 | -46.1 | 0 | 0 | 0 | 111.3 | | |
| 135 | K | 43.2 | Very low | 43.1 | Very low | 183 Ų | 183 | 116.5 Ų | 116.5 | 80% | 0.796 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 177.4 | -39 | 140.4 | -97.2 | 150.4 | -172.2 | 177.7 | 0 | 113.3 | G137 H138 | K135-G137 VanDerWaalsContact C-N 3.32Å; K135-G137 PolarHBondContact O-N 2.92Å; K135-H138 PolarHBondContact O-N 3.36Å |
| 136 | S | 47.6 | Very low | 44.7 | Very low | 121 Ų | 121 | 112.5 Ų | 112.5 | 85% | 0.846 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -31.4 | -170.7 | -167.1 | 0 | 0 | 0 | 0 | 114.9 | H138 | S136-H138 PolarHBondContact O-N 2.68Š|
| 137 | G | 46.3 | Very low | 46.1 | Very low | 34 Ų | 34 | 113 Ų | 113 | 35% | 0.351 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.6 | -7.9 | -175 | 0 | 0 | 0 | 0 | 0 | 117 | K135 V139 T140 Q141 | K135-G137 VanDerWaalsContact C-N 3.32Å; K135-G137 PolarHBondContact O-N 2.92Å; G137-V139 PolarHBondContact O-N 3.06Å; G137-T140 PolarHBondContact O-N 2.77Å; G137-Q141 WeakPolarHBondContact O-CB 3.47Å; G137-Q141 VanDerWaalsContact O-CG 3.32Å; G137-Q141 WeakPolarHBondContact O-CG 3.31Å; G137-Q141 PolarHBondContact O-N 3.36Å |
| 138 | H | 43.3 | Very low | 47.5 | Very low | 99 Ų | 99 | 114.4 Ų | 114.4 | 46% | 0.458 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.4 | -37.9 | -166.5 | -96.6 | -88.4 | 0 | 0 | 0 | 114.8 | K135 S136 L142 | K135-H138 PolarHBondContact O-N 3.36Å; S136-H138 PolarHBondContact O-N 2.68Å; H138-L142 WeakPolarHBondContact O-CB 3.49Å; H138-L142 PolarHBondContact O-N 3.24Å |
| 139 | V | 54.4 | Low | 48.9 | Very low | 117 Ų | 117 | 113.7 Ų | 113.7 | 71% | 0.709 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.5 | -44.7 | -179.9 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | G137 L142 A143 | G137-V139 PolarHBondContact O-N 3.06Å; V139-L142 WeakPolarHBondContact O-CB 3.27Å; V139-L142 PolarHBondContact O-N 3.07Å; V139-L142 VanDerWaalsContact O-N 3.16Å; V139-A143 PolarHBondContact O-N 2.77Å |
| 140 | T | 54.6 | Low | 50.1 | Low | 85 Ų | 85 | 111.4 Ų | 111.4 | 52% | 0.521 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.9 | -40.9 | 179 | -24.9 | 0 | 0 | 0 | 0 | 111.9 | G137 L142 A143 N144 | G137-T140 PolarHBondContact O-N 2.77Å; T140-L142 VanDerWaalsContact C-N 3.27Å; T140-L142 PolarHBondContact O-N 3.24Å; T140-A143 PolarHBondContact O-N 2.82Å; T140-N144 VanDerWaalsContact O-CG 3.23Å; T140-N144 PolarHBondContact O-N 3.11Å; T140-N144 VanDerWaalsContact O-N 3.07Å; T140-N144 PolarHBondContact O-OD1 3.03Å; T140-N144 VanDerWaalsContact O-OD1 3.07Å |
| 141 | Q | 49 | Very low | 51.5 | Low | 116 Ų | 116 | 112.3 Ų | 112.3 | 54% | 0.542 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65 | -29 | 173.5 | -73.9 | -178.7 | 10.1 | 0 | 0 | 113.1 | G137 R145 | G137-Q141 WeakPolarHBondContact O-CB 3.47Å; G137-Q141 VanDerWaalsContact O-CG 3.32Å; G137-Q141 WeakPolarHBondContact O-CG 3.31Å; G137-Q141 PolarHBondContact O-N 3.36Å; Q141-R145 WeakPolarHBondContact O-CB 3.29Å; Q141-R145 WeakPolarHBondContact O-CG 3.37Å; Q141-R145 PolarHBondContact O-N 3.09Å |
| 142 | L | 63.5 | Low | 52.6 | Low | 112 Ų | 112 | 110 Ų | 110 | 59% | 0.586 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -75.1 | -45.7 | 174.7 | -175.9 | 62.3 | 0 | 0 | 0 | 111.3 | H138 V139 T140 N144 R145 V146 | H138-L142 WeakPolarHBondContact O-CB 3.49Å; H138-L142 PolarHBondContact O-N 3.24Å; V139-L142 WeakPolarHBondContact O-CB 3.27Å; V139-L142 PolarHBondContact O-N 3.07Å; V139-L142 VanDerWaalsContact O-N 3.16Å; T140-L142 VanDerWaalsContact C-N 3.27Å; T140-L142 PolarHBondContact O-N 3.24Å; L142-N144 PolarHBondContact O-N 2.85Å; L142-R145 PolarHBondContact O-N 3.43Å; L142-R145 VanDerWaalsContact O-N 3.16Å; L142-V146 WeakPolarHBondContact O-CG2 3.4Å; L142-V146 PolarHBondContact O-N 2.8Å |
| 143 | A | 61.5 | Low | 53.5 | Low | 55 Ų | 55 | 111.6 Ų | 111.6 | 46% | 0.455 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -55.4 | -52.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V139 T140 R145 V146 E147 | V139-A143 PolarHBondContact O-N 2.77Å; T140-A143 PolarHBondContact O-N 2.82Å; A143-R145 PolarHBondContact O-N 3.04Å; A143-V146 PolarHBondContact O-N 2.92Å; A143-V146 VanDerWaalsContact O-N 3.08Å; A143-E147 PolarHBondContact O-N 2.82Å |
| 144 | N | 54.2 | Low | 54.2 | Low | 88 Ų | 88 | 106.1 Ų | 106.1 | 47% | 0.471 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.1 | -28.6 | 179.6 | -62.2 | 15.2 | 0 | 0 | 0 | 112.7 | T140 L142 H148 | T140-N144 VanDerWaalsContact O-CG 3.23Å; T140-N144 PolarHBondContact O-N 3.11Å; T140-N144 VanDerWaalsContact O-N 3.07Å; T140-N144 PolarHBondContact O-OD1 3.03Å; T140-N144 VanDerWaalsContact O-OD1 3.07Å; L142-N144 PolarHBondContact O-N 2.85Å; N144-H148 PolarHBondContact O-N 3.12Å |
| 145 | R | 61.9 | Low | 54.9 | Low | 177 Ų | 177 | 105 Ų | 105 | 67% | 0.668 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -75.1 | -36.5 | 174.6 | -88.6 | 178.7 | 156.9 | 156.9 | -3.2 | 113.1 | Q141 L142 A143 L149 | Q141-R145 WeakPolarHBondContact O-CB 3.29Å; Q141-R145 WeakPolarHBondContact O-CG 3.37Å; Q141-R145 PolarHBondContact O-N 3.09Å; L142-R145 PolarHBondContact O-N 3.43Å; L142-R145 VanDerWaalsContact O-N 3.16Å; A143-R145 PolarHBondContact O-N 3.04Å; R145-L149 WeakPolarHBondContact O-CG 3.41Å; R145-L149 PolarHBondContact O-N 3.41Å |
| 146 | V | 66.9 | Low | 55.2 | Low | 77 Ų | 77 | 100.7 Ų | 100.7 | 47% | 0.467 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.9 | -42.6 | 175.9 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | L142 A143 H148 L149 L150 | L142-V146 WeakPolarHBondContact O-CG2 3.4Å; L142-V146 PolarHBondContact O-N 2.8Å; A143-V146 PolarHBondContact O-N 2.92Å; A143-V146 VanDerWaalsContact O-N 3.08Å; V146-H148 PolarHBondContact O-N 3.16Å; V146-L149 PolarHBondContact O-N 2.96Å; V146-L150 HydrophobicContact CG1-CD1 4.07Å; V146-L150 PolarHBondContact O-N 2.89Å; V146-L150 VanDerWaalsContact O-N 3.1Å |
| 147 | E | 60.5 | Low | 55.4 | Low | 120 Ų | 120 | 98.4 Ų | 98.4 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.3 | -46.2 | 175.5 | -171.6 | 171.6 | -156.1 | 0 | 0 | 111.8 | A143 L149 L150 I151 | A143-E147 PolarHBondContact O-N 2.82Å; E147-L149 VanDerWaalsContact C-N 3.31Å; E147-L149 PolarHBondContact O-N 3.03Å; E147-L150 PolarHBondContact O-N 3.16Å; E147-I151 HydrophobicContact CG-CD1 4.12Å; E147-I151 WeakPolarHBondContact O-CG1 3.47Å; E147-I151 PolarHBondContact O-N 3.1Å |
| 148 | H | 57.8 | Low | 55.4 | Low | 129 Ų | 129 | 102 Ų | 102 | 60% | 0.597 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.2 | -34.9 | 176.3 | -104.9 | -72.9 | 0 | 0 | 0 | 114.4 | N144 V146 Q152 | N144-H148 PolarHBondContact O-N 3.12Å; V146-H148 PolarHBondContact O-N 3.16Å; H148-Q152 PolarHBondContact O-N 3.3Å |
| 149 | L | 61.9 | Low | 55.6 | Low | 104 Ų | 104 | 100.8 Ų | 100.8 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -73.1 | -41.6 | 177.6 | -74.3 | 166.8 | 0 | 0 | 0 | 111.8 | R145 V146 E147 I151 Q152 D153 | R145-L149 WeakPolarHBondContact O-CG 3.41Å; R145-L149 PolarHBondContact O-N 3.41Å; V146-L149 PolarHBondContact O-N 2.96Å; E147-L149 VanDerWaalsContact C-N 3.31Å; E147-L149 PolarHBondContact O-N 3.03Å; L149-I151 VanDerWaalsContact C-N 3.26Å; L149-I151 PolarHBondContact O-N 3.13Å; L149-Q152 PolarHBondContact O-N 3.03Å; L149-Q152 VanDerWaalsContact O-N 3.09Å; L149-D153 PolarHBondContact O-N 2.93Å |
| 150 | L | 58.3 | Low | 55.2 | Low | 115 Ų | 115 | 101.8 Ų | 101.8 | 60% | 0.602 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.2 | -35.6 | 173.7 | -81.1 | 160 | 0 | 0 | 0 | 112.4 | V146 E147 S154 | V146-L150 HydrophobicContact CG1-CD1 4.07Å; V146-L150 PolarHBondContact O-N 2.89Å; V146-L150 VanDerWaalsContact O-N 3.1Å; E147-L150 PolarHBondContact O-N 3.16Å; L150-S154 WeakPolarHBondContact O-CB 3.42Å; L150-S154 PolarHBondContact O-N 3.15Å; L150-S154 VanDerWaalsContact O-N 3.13Å; L150-S154 PolarHBondContact O-OG 3.47Å |
| 151 | I | 58.6 | Low | 54.8 | Low | 81 Ų | 81 | 101.7 Ų | 101.7 | 42% | 0.415 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.3 | -38.7 | 173.7 | -67.6 | 165.2 | 0 | 0 | 0 | 111.3 | E147 L149 S154 I155 | E147-I151 HydrophobicContact CG-CD1 4.12Å; E147-I151 WeakPolarHBondContact O-CG1 3.47Å; E147-I151 PolarHBondContact O-N 3.1Å; L149-I151 VanDerWaalsContact C-N 3.26Å; L149-I151 PolarHBondContact O-N 3.13Å; I151-S154 WeakPolarHBondContact CA-OG 3.36Å; I151-S154 PolarHBondContact O-OG 2.73Å; I151-S154 VanDerWaalsContact O-OG 3.1Å; I151-I155 HydrophobicContact CG2-CD1 3.84Å; I151-I155 WeakPolarHBondContact O-CD1 3.37Å; I151-I155 VanDerWaalsContact O-CG1 3.23Å; I151-I155 WeakPolarHBondContact O-CG1 3.17Å; I151-I155 PolarHBondContact O-N 2.75Å; I151-I155 VanDerWaalsContact O-N 3.17Å |
| 152 | Q | 53.7 | Low | 54.6 | Low | 114 Ų | 114 | 105.8 Ų | 105.8 | 53% | 0.533 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69 | -42.9 | 177 | -74.4 | -174.7 | -29.2 | 0 | 0 | 113.1 | H148 L149 I155 N156 | H148-Q152 PolarHBondContact O-N 3.3Å; L149-Q152 PolarHBondContact O-N 3.03Å; L149-Q152 VanDerWaalsContact O-N 3.09Å; Q152-I155 PolarHBondContact O-N 3.24Å; Q152-N156 PolarHBondContact O-N 3.2Å; Q152-N156 VanDerWaalsContact O-N 3.1Å; Q152-N156 PolarHBondContact O-ND2 3.4Å; Q152-N156 VanDerWaalsContact O-ND2 3.11Å |
| 153 | D | 50.7 | Low | 53.6 | Low | 110 Ų | 110 | 108.9 Ų | 108.9 | 59% | 0.588 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.8 | -36.9 | 179.1 | -78.9 | -18.6 | 0 | 0 | 0 | 112.2 | L149 T157 | L149-D153 PolarHBondContact O-N 2.93Å; D153-T157 WeakPolarHBondContact O-CB 3.31Å; D153-T157 WeakPolarHBondContact O-CG2 3.47Å; D153-T157 PolarHBondContact O-N 3.04Å; D153-T157 PolarHBondContact O-OG1 3.31Å |
| 154 | S | 53.4 | Low | 52.9 | Low | 60 Ų | 60 | 112.9 Ų | 112.9 | 42% | 0.42 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.9 | -36.9 | 176.1 | 51.2 | 0 | 0 | 0 | 0 | 113 | L150 I151 T157 L158 | L150-S154 WeakPolarHBondContact O-CB 3.42Å; L150-S154 PolarHBondContact O-N 3.15Å; L150-S154 VanDerWaalsContact O-N 3.13Å; L150-S154 PolarHBondContact O-OG 3.47Å; I151-S154 WeakPolarHBondContact CA-OG 3.36Å; I151-S154 PolarHBondContact O-OG 2.73Å; I151-S154 VanDerWaalsContact O-OG 3.1Å; S154-T157 WeakPolarHBondContact CA-OG1 3.33Å; S154-T157 PolarHBondContact O-OG1 3.01Å; S154-L158 VanDerWaalsContact O-CB 3.29Å; S154-L158 WeakPolarHBondContact O-CB 3.4Å; S154-L158 PolarHBondContact O-N 2.92Å |
| 155 | I | 52.5 | Low | 52.4 | Low | 107 Ų | 107 | 114.4 Ų | 114.4 | 55% | 0.549 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.4 | -49.1 | 174 | -69 | 166.3 | 0 | 0 | 0 | 110.9 | I151 Q152 T157 L158 S159 | I151-I155 HydrophobicContact CG2-CD1 3.84Å; I151-I155 WeakPolarHBondContact O-CD1 3.37Å; I151-I155 VanDerWaalsContact O-CG1 3.23Å; I151-I155 WeakPolarHBondContact O-CG1 3.17Å; I151-I155 PolarHBondContact O-N 2.75Å; I151-I155 VanDerWaalsContact O-N 3.17Å; Q152-I155 PolarHBondContact O-N 3.24Å; I155-T157 VanDerWaalsContact C-N 3.35Å; I155-T157 PolarHBondContact O-N 3.44Å; I155-L158 PolarHBondContact O-N 3.33Å; I155-S159 PolarHBondContact O-N 2.86Å; I155-S159 VanDerWaalsContact O-N 3.16Å; I155-S159 PolarHBondContact O-OG 2.82Å |
| 156 | N | 48.8 | Very low | 51.2 | Low | 94 Ų | 94 | 113.8 Ų | 113.8 | 50% | 0.503 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.7 | -37.2 | -178.8 | -74.9 | -40.9 | 0 | 0 | 0 | 112.9 | Q152 S159 Q160 | Q152-N156 PolarHBondContact O-N 3.2Å; Q152-N156 VanDerWaalsContact O-N 3.1Å; Q152-N156 PolarHBondContact O-ND2 3.4Å; Q152-N156 VanDerWaalsContact O-ND2 3.11Å; N156-S159 PolarHBondContact O-OG 2.92Å; N156-Q160 PolarHBondContact O-N 2.76Å |
| 157 | T | 52.2 | Low | 49.9 | Very low | 73 Ų | 73 | 115.3 Ų | 115.3 | 45% | 0.448 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -74.8 | -34.2 | 177 | 49.7 | 0 | 0 | 0 | 0 | 112.8 | D153 S154 I155 Q160 N161 | D153-T157 WeakPolarHBondContact O-CB 3.31Å; D153-T157 WeakPolarHBondContact O-CG2 3.47Å; D153-T157 PolarHBondContact O-N 3.04Å; D153-T157 PolarHBondContact O-OG1 3.31Å; S154-T157 WeakPolarHBondContact CA-OG1 3.33Å; S154-T157 PolarHBondContact O-OG1 3.01Å; I155-T157 VanDerWaalsContact C-N 3.35Å; I155-T157 PolarHBondContact O-N 3.44Å; T157-Q160 PolarHBondContact O-N 3.47Å; T157-N161 PolarHBondContact O-N 3.3Å; T157-N161 VanDerWaalsContact O-N 3.17Å; T157-N161 PolarHBondContact O-ND2 2.86Å |
| 158 | L | 46 | Very low | 48.5 | Very low | 110 Ų | 110 | 119.3 Ų | 119.3 | 58% | 0.576 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69 | -34.6 | 177.4 | -168.1 | 65.4 | 0 | 0 | 0 | 112.3 | S154 I155 | S154-L158 VanDerWaalsContact O-CB 3.29Å; S154-L158 WeakPolarHBondContact O-CB 3.4Å; S154-L158 PolarHBondContact O-N 2.92Å; I155-L158 PolarHBondContact O-N 3.33Å |
| 159 | S | 46.8 | Very low | 47.4 | Very low | 72 Ų | 72 | 122.1 Ų | 122.1 | 50% | 0.503 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.6 | -37.1 | 171.8 | 41.1 | 0 | 0 | 0 | 0 | 113.3 | I155 N156 | I155-S159 PolarHBondContact O-N 2.86Å; I155-S159 VanDerWaalsContact O-N 3.16Å; I155-S159 PolarHBondContact O-OG 2.82Å; N156-S159 PolarHBondContact O-OG 2.92Å |
| 160 | Q | 46.8 | Very low | 46.3 | Very low | 138 Ų | 138 | 123.1 Ų | 123.1 | 65% | 0.645 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -79.8 | -25.4 | -177.5 | -71.3 | -178.6 | -8.4 | 0 | 0 | 114 | N156 T157 | N156-Q160 PolarHBondContact O-N 2.76Å; T157-Q160 PolarHBondContact O-N 3.47Å |
| 161 | N | 45.3 | Very low | 45.3 | Very low | 83 Ų | 83 | 124.6 Ų | 124.6 | 44% | 0.444 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -83.8 | -21.1 | -178.7 | -77.9 | -80.4 | 0 | 0 | 0 | 113.8 | T157 E163 L164 | T157-N161 PolarHBondContact O-N 3.3Å; T157-N161 VanDerWaalsContact O-N 3.17Å; T157-N161 PolarHBondContact O-ND2 2.86Å; N161-E163 PolarHBondContact O-N 2.81Å; N161-L164 PolarHBondContact O-N 2.94Å |
| 162 | R | 45.1 | Very low | 44.4 | Very low | 202 Ų | 202 | 128.2 Ų | 128.2 | 76% | 0.762 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -24.2 | -178.8 | -86.6 | -172.8 | 168 | -173.7 | -3.1 | 114.8 | L164 | R162-L164 VanDerWaalsContact C-N 3.34Š|
| 163 | E | 43.7 | Very low | 43.6 | Very low | 177 Ų | 177 | 127 Ų | 127 | 83% | 0.827 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -11.3 | 176.5 | -74.3 | -174.1 | 121.5 | 0 | 0 | 113.8 | N161 | N161-E163 PolarHBondContact O-N 2.81Š|
| 164 | L | 45.3 | Very low | 42.9 | Very low | 139 Ų | 139 | 127.6 Ų | 127.6 | 73% | 0.728 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -103.7 | -3.9 | -164.6 | -68.5 | 175 | 0 | 0 | 0 | 116.1 | N161 R162 | N161-L164 PolarHBondContact O-N 2.94Å; R162-L164 VanDerWaalsContact C-N 3.34Å |
| 165 | Q | 43.5 | Very low | 42.2 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 57% | 0.565 | 65% | 0.654 | S | S | * | * | | | trans | -108.3 | -3.3 | -166.3 | -69.1 | -172.8 | -13.6 | 0 | 0 | 116.4 | V167 C502 | Q165-V167 VanDerWaalsContact C-N 3.31Å; Q165-V167 PolarHBondContact O-N 3.19Å; Q165-C502 PolarHBondContact NE2-SG 3.17Å; Q165-C502 PolarHBondContact OE1-SG 3.29Å; Q165-C502 VanDerWaalsContact OE1-SG 3.34Å |
| 166 | L | 38.4 | Very low | 41.6 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 86% | 0.859 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -86.2 | 14.8 | -164.5 | -131.4 | 146.5 | 0 | 0 | 0 | 115.2 | | |
| 167 | V | 38.1 | Very low | 41 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 66% | 0.661 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -144.3 | 131.7 | 179.9 | -142.7 | 0 | 0 | 0 | 0 | 113.1 | Q165 | Q165-V167 VanDerWaalsContact C-N 3.31Å; Q165-V167 PolarHBondContact O-N 3.19Å |
| 168 | Y | 31 | Very low | 40.1 | Very low | 203 Ų | 203 | 139.8 Ų | 139.8 | 80% | 0.796 | 69% | 0.69 | S | S | * | * | | | trans | 69.2 | 88.5 | 171.4 | -57.4 | -69.2 | 0 | 0 | 0 | 119.1 | | |
| 169 | H | 35.9 | Very low | 39.5 | Very low | 189 Ų | 189 | 142.6 Ų | 142.6 | 88% | 0.875 | 70% | 0.7 | S | S | * | * | | | trans | -158.9 | 119.7 | 134.5 | -110.3 | -61.8 | 0 | 0 | 0 | 112.5 | | |
| 170 | T | 37.5 | Very low | 39 | Very low | 125 Ų | 125 | 146 Ų | 146 | 77% | 0.767 | 71% | 0.712 | S | S | * | * | | | trans | -163.9 | 110.4 | 152.5 | -8.2 | 0 | 0 | 0 | 0 | 109 | | |
| 171 | E | 38.7 | Very low | 38.3 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | | | trans | 56.6 | 147.7 | 134 | -67.6 | -175.1 | -160.3 | 0 | 0 | 121.8 | | |
| 172 | K | 39.7 | Very low | 37.7 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | | | cis | -147.6 | 154.6 | 17.9 | -129.9 | 162.9 | -174.2 | 99.3 | 0 | 110.8 | | |
| 173 | P | 36.7 | Very low | 37.2 | Very low | 88 Ų | 88 | 143.2 Ų | 143.2 | 57% | 0.571 | 73% | 0.733 | S | S | * | * | | | trans | -104.5 | 168.3 | 179.5 | 39.9 | -34.1 | 0 | 0 | 0 | 113.6 | | |
| 174 | D | 35.9 | Very low | 36.7 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 66% | 0.658 | 73% | 0.726 | S | S | * | * | | | trans | -168.7 | 165.9 | 149.1 | -116 | -30 | 0 | 0 | 0 | 115.2 | | |
| 175 | F | 38.1 | Very low | 36.4 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 65% | 0.645 | 73% | 0.73 | S | S | * | * | | | trans | 75.7 | 104.1 | 167.7 | -73.3 | -75 | 0 | 0 | 0 | 124 | Q513 | F175-Q513 PolarHBondContact O-NE2 3.33Å; F175-Q513 PolarHBondContact O-OE1 3.13Å |
| 176 | L | 39.2 | Very low | 36.3 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | | | trans | 55.3 | 125.6 | 140 | -66.6 | 170.1 | 0 | 0 | 0 | 119.6 | Q513 | L176-Q513 PolarHBondContact O-NE2 2.82Š|
| 177 | E | 36.3 | Very low | 36.1 | Very low | 157 Ų | 157 | 145.7 Ų | 145.7 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | | | | -176.6 | 178.1 | 60.3 | -167.6 | 165.7 | -136.9 | 0 | 0 | 110.4 | | |
| 178 | N | 34.2 | Very low | 36 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | | | trans | 69.9 | 75.3 | 173 | -62.2 | -60.6 | 0 | 0 | 0 | 116.1 | | |
| 179 | H | 34.2 | Very low | 36.3 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 78% | 0.778 | 74% | 0.739 | S | S | * | * | | | trans | -114.9 | 150.5 | 171.8 | -146.6 | -81.2 | 0 | 0 | 0 | 109.6 | | |
| 180 | L | 34.5 | Very low | 36.2 | Very low | 145 Ų | 145 | 137.5 Ų | 137.5 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | | | trans | 70.5 | 157.5 | 173.6 | -59.1 | 121 | 0 | 0 | 0 | 118 | | |
| 181 | L | 32.8 | Very low | 36 | Very low | 146 Ų | 146 | 141 Ų | 141 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | | | cis | -175.1 | 122.9 | -46.5 | -123.9 | 157 | 0 | 0 | 0 | 110.1 | | |
| 182 | S | 33.6 | Very low | 35.5 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | | | trans | 172.6 | 152.8 | 158.1 | -88.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 183 | S | 34.1 | Very low | 35.2 | Very low | 97 Ų | 97 | 138.7 Ų | 138.7 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | | | cis | -160.7 | 142.5 | -23.4 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 184 | T | 32.6 | Very low | 34.8 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 69% | 0.693 | 72% | 0.724 | S | S | * | * | | | trans | 13.8 | 124 | 160.7 | 63.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 185 | K | 38.9 | Very low | 34.7 | Very low | 188 Ų | 188 | 135 Ų | 135 | 82% | 0.817 | 72% | 0.72 | S | S | * | * | | | | 177.5 | 137.3 | 103.1 | -95.9 | 162.5 | -175.2 | 169 | 0 | 115.1 | | |
| 186 | K | 40.8 | Very low | 34.5 | Very low | 199 Ų | 199 | 132 Ų | 132 | 87% | 0.865 | 71% | 0.713 | S | S | * | * | | | trans | 59.1 | 89.2 | 149.8 | -62.9 | -169.5 | 175 | -171.6 | 0 | 120.8 | | |
| 187 | N | 34.3 | Very low | 34.2 | Very low | 153 Ų | 153 | 128 Ų | 128 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | | | trans | -49 | 172.2 | 131.3 | -151.3 | 26.3 | 0 | 0 | 0 | 111.5 | | |
| 188 | P | 37.2 | Very low | 34.7 | Very low | 87 Ų | 87 | 125.6 Ų | 125.6 | 57% | 0.565 | 69% | 0.691 | S | S | * | * | | | cis | -129 | -161.7 | -5.7 | 35.2 | -13.3 | 0 | 0 | 0 | 113.8 | | |
| 189 | N | 35.9 | Very low | 35.3 | Very low | 150 Ų | 150 | 124.3 Ų | 124.3 | 80% | 0.802 | 69% | 0.689 | S | S | * | * | | | trans | 77.7 | 126.3 | 174.5 | -46.2 | -25.1 | 0 | 0 | 0 | 113 | | |
| 190 | S | 35.6 | Very low | 36 | Very low | 92 Ų | 92 | 123.5 Ų | 123.5 | 64% | 0.643 | 69% | 0.689 | S | S | * | * | | | cis | -153.9 | 138.7 | 35.2 | 45.1 | 0 | 0 | 0 | 0 | 115 | | |
| 191 | F | 31.8 | Very low | 36.2 | Very low | 198 Ų | 198 | 118.8 Ų | 118.8 | 87% | 0.868 | 67% | 0.669 | S | S | * | * | | | trans | 66.9 | -178.9 | 147 | -66.9 | -135 | 0 | 0 | 0 | 112.3 | | |
| 192 | I | 29.4 | Very low | 37.1 | Very low | 153 Ų | 153 | 113 Ų | 113 | 79% | 0.785 | 64% | 0.64 | S | S | * | * | | | cis | -152.1 | 150.5 | 43.1 | -79.2 | 168.7 | 0 | 0 | 0 | 110 | | |
| 193 | P | 33.7 | Very low | 37.6 | Very low | 102 Ų | 102 | 108 Ų | 108 | 66% | 0.662 | 61% | 0.605 | S | S | * | * | | | trans | -81.6 | 163.4 | -179.9 | -6.3 | 24.9 | 0 | 0 | 0 | 113.8 | | |
| 194 | S | 28.6 | Very low | 38.3 | Very low | 44 Ų | 44 | 111.2 Ų | 111.2 | 31% | 0.308 | 60% | 0.603 | S | S | . | * | | | trans | -119.2 | 149.9 | 137.8 | -76.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 195 | P | 33 | Very low | 39.1 | Very low | 89 Ų | 89 | 111.1 Ų | 111.1 | 58% | 0.578 | 59% | 0.59 | S | S | * | * | | | trans | -68.3 | -178.5 | 156.5 | 34.8 | -35.7 | 0 | 0 | 0 | 109.5 | T197 | P195-T197 PolarHBondContact O-N 3.06Š|
| 196 | V | 33.8 | Very low | 39.7 | Very low | 83 Ų | 83 | 110.3 Ų | 110.3 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | | | trans | 34.3 | 85.7 | 140 | 174.5 | 0 | 0 | 0 | 0 | 113.1 | T198 S201 S202 | V196-T198 HydrophobicContact CG2-CG2 4.16Å; V196-S201 WeakPolarHBondContact CG1-O 3.36Å; V196-S202 CarbonylContact O-C 3Å; V196-S202 PolarHBondContact O-N 3.28Å |
| 197 | T | 32.4 | Very low | 40.2 | Very low | 48 Ų | 48 | 106.4 Ų | 106.4 | 29% | 0.294 | 57% | 0.567 | S | S | . | * | | | cis | -72.3 | 159.5 | 20.9 | 48.8 | 0 | 0 | 0 | 0 | 117 | P195 T199 P203 | P195-T197 PolarHBondContact O-N 3.06Å; T197-T199 HydrophobicContact CG2-CG2 4.31Å; T197-P203 WeakPolarHBondContact OG1-CD 3.46Å; T197-P203 WeakPolarHBondContact OG1-CG 3.33Å |
| 198 | T | 48.3 | Very low | 41 | Very low | 107 Ų | 107 | 103.3 Ų | 103.3 | 66% | 0.656 | 56% | 0.556 | S | S | * | * | S | Bend | cis | 25 | 95.4 | -13.9 | -65.1 | 0 | 0 | 0 | 0 | 120 | V196 L200 | V196-T198 HydrophobicContact CG2-CG2 4.16Å; T198-L200 VanDerWaalsContact O-CB 3.26Å; T198-L200 WeakPolarHBondContact O-CB 3.33Å |
| 199 | T | 46.5 | Very low | 41.7 | Very low | 129 Ų | 129 | 108.5 Ų | 108.5 | 79% | 0.791 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -75.6 | 125.7 | -177.1 | -43.5 | 0 | 0 | 0 | 0 | 112.4 | T197 | T197-T199 HydrophobicContact CG2-CG2 4.31Š|
| 200 | L | 47.4 | Very low | 42.5 | Very low | 150 Ų | 150 | 107.2 Ų | 107.2 | 79% | 0.785 | 56% | 0.564 | S | S | * | * | S | Bend | cis | 50.8 | -138.8 | -26.3 | -35.2 | 171.3 | 0 | 0 | 0 | 118.3 | T198 | T198-L200 VanDerWaalsContact O-CB 3.26Å; T198-L200 WeakPolarHBondContact O-CB 3.33Å |
| 201 | S | 39.6 | Very low | 43.8 | Very low | 47 Ų | 47 | 112.2 Ų | 112.2 | 33% | 0.329 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -163.1 | 145.7 | -166.5 | 51.6 | 0 | 0 | 0 | 0 | 108.4 | V196 | V196-S201 WeakPolarHBondContact CG1-O 3.36Š|
| 202 | S | 50.7 | Low | 44.8 | Very low | 23 Ų | 23 | 106.8 Ų | 106.8 | 16% | 0.161 | 57% | 0.566 | C | S | . | * | | | cis | -168.4 | 130.2 | -4.5 | 176.7 | 0 | 0 | 0 | 0 | 108.1 | V196 W204 H207 | V196-S202 CarbonylContact O-C 3Å; V196-S202 PolarHBondContact O-N 3.28Å; S202-W204 PolarHBondContact O-N 3Å; S202-H207 VanDerWaalsContact CB-CD2 3.49Å; S202-H207 WeakPolarHBondContact CB-CD2 3.42Å; S202-H207 VanDerWaalsContact CB-CE1 3.48Å; S202-H207 WeakPolarHBondContact CB-CE1 3.37Å; S202-H207 WeakPolarHBondContact CB-NE2 3.19Å; S202-H207 PolarHBondContact OG-CE1 3.36Å; S202-H207 PolarHBondContact OG-ND1 3.47Å; S202-H207 PolarHBondContact OG-NE2 3.48Å |
| 203 | P | 45.7 | Very low | 46.3 | Very low | 17 Ų | 17 | 104.8 Ų | 104.8 | 11% | 0.11 | 56% | 0.563 | C | S | . | * | | | trans | -56.8 | 118.8 | -179.3 | -18.4 | 30.7 | 0 | 0 | 0 | 108.5 | T197 Y205 R206 | T197-P203 WeakPolarHBondContact OG1-CD 3.46Å; T197-P203 WeakPolarHBondContact OG1-CG 3.33Å; P203-Y205 HydrophobicContact CB-CD1 4.08Å; P203-Y205 HydrophobicContact CB-CE1 3.5Å; P203-Y205 VanDerWaalsContact CB-CE1 3.5Å; P203-Y205 PolarHBondContact O-N 3.28Å; P203-R206 HydrophobicContact CB-CG 4.39Å; P203-R206 HydrophobicContact CG-CG 4.47Å; P203-R206 WeakPolarHBondContact O-CA 3.27Å; P203-R206 VanDerWaalsContact O-CB 3.27Å; P203-R206 WeakPolarHBondContact O-CB 3.47Å; P203-R206 PolarHBondContact O-N 3.21Å |
| 204 | W | 48.6 | Very low | 47.4 | Very low | 163 Ų | 163 | 105 Ų | 105 | 62% | 0.617 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -58.4 | -32.6 | -152.3 | 57.5 | -91.3 | 0 | 0 | 0 | 114 | S202 R206 H207 C208 | S202-W204 PolarHBondContact O-N 3Å; W204-R206 VanDerWaalsContact C-N 3.28Å; W204-R206 PolarHBondContact O-N 2.98Å; W204-H207 WeakPolarHBondContact O-CA 3.43Å; W204-H207 PolarHBondContact O-N 2.74Å; W204-C208 PolarHBondContact O-N 3.21Å; W204-C208 PolarHBondContact O-SG 3.47Å |
| 205 | Y | 50 | Low | 48.2 | Very low | 112 Ų | 112 | 108.6 Ų | 108.6 | 44% | 0.439 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -61.5 | -26 | 172.8 | 69.3 | -90.2 | 0 | 0 | 0 | 114.6 | P203 H207 C208 R209 | P203-Y205 HydrophobicContact CB-CD1 4.08Å; P203-Y205 HydrophobicContact CB-CE1 3.5Å; P203-Y205 VanDerWaalsContact CB-CE1 3.5Å; P203-Y205 PolarHBondContact O-N 3.28Å; Y205-H207 PolarHBondContact O-N 3.02Å; Y205-C208 PolarHBondContact O-N 2.81Å; Y205-R209 PolarHBondContact O-N 3.06Å |
| 206 | R | 50.3 | Low | 48.9 | Very low | 171 Ų | 171 | 112.2 Ų | 112.2 | 65% | 0.645 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -68.5 | -14.4 | 170.3 | -67.5 | -161.4 | 178.8 | -151 | 0.8 | 112.9 | P203 W204 | P203-R206 HydrophobicContact CB-CG 4.39Å; P203-R206 HydrophobicContact CG-CG 4.47Å; P203-R206 WeakPolarHBondContact O-CA 3.27Å; P203-R206 VanDerWaalsContact O-CB 3.27Å; P203-R206 WeakPolarHBondContact O-CB 3.47Å; P203-R206 PolarHBondContact O-N 3.21Å; W204-R206 VanDerWaalsContact C-N 3.28Å; W204-R206 PolarHBondContact O-N 2.98Å |
| 207 | H | 51.5 | Low | 49.2 | Very low | 117 Ų | 117 | 113.1 Ų | 113.1 | 54% | 0.542 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.1 | -14.5 | 171.7 | -72.2 | -10 | 0 | 0 | 0 | 113.2 | S202 W204 Y205 | S202-H207 VanDerWaalsContact CB-CD2 3.49Å; S202-H207 WeakPolarHBondContact CB-CD2 3.42Å; S202-H207 VanDerWaalsContact CB-CE1 3.48Å; S202-H207 WeakPolarHBondContact CB-CE1 3.37Å; S202-H207 WeakPolarHBondContact CB-NE2 3.19Å; S202-H207 PolarHBondContact OG-CE1 3.36Å; S202-H207 PolarHBondContact OG-ND1 3.47Å; S202-H207 PolarHBondContact OG-NE2 3.48Å; W204-H207 WeakPolarHBondContact O-CA 3.43Å; W204-H207 PolarHBondContact O-N 2.74Å; Y205-H207 PolarHBondContact O-N 3.02Å |
| 208 | C | 50.9 | Low | 49.3 | Very low | 88 Ų | 88 | 115 Ų | 115 | 60% | 0.595 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -97.7 | 6.6 | 176.7 | -58.2 | 0 | 0 | 0 | 0 | 114.8 | W204 Y205 P210 | W204-C208 PolarHBondContact O-N 3.21Å; W204-C208 PolarHBondContact O-SG 3.47Å; Y205-C208 PolarHBondContact O-N 2.81Å; C208-P210 WeakPolarHBondContact O-CD 3.43Å |
| 209 | R | 52.6 | Low | 48.8 | Very low | 195 Ų | 195 | 118.1 Ų | 118.1 | 74% | 0.736 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -65.9 | 128.5 | 174.4 | -78.7 | -166.8 | 172.9 | -161.5 | -3.2 | 110.6 | Y205 K211 | Y205-R209 PolarHBondContact O-N 3.06Å; R209-K211 PolarHBondContact O-N 2.97Å |
| 210 | P | 52.9 | Low | 48.1 | Very low | 124 Ų | 124 | 117.4 Ų | 117.4 | 81% | 0.805 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 126.8 | 165.8 | -24.7 | 34.6 | 0 | 0 | 0 | 109.5 | C208 A212 | C208-P210 WeakPolarHBondContact O-CD 3.43Å; P210-A212 PolarHBondContact O-N 3.46Å |
| 211 | K | 62 | Low | 47.6 | Very low | 196 Ų | 196 | 115.4 Ų | 115.4 | 85% | 0.852 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 116.8 | 177.8 | -151.7 | 171.5 | -169.1 | 172.5 | 0 | 107.3 | R209 | R209-K211 PolarHBondContact O-N 2.97Š|
| 212 | A | 53.9 | Low | 47.2 | Very low | 84 Ų | 84 | 122.2 Ų | 122.2 | 69% | 0.694 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 136.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110 | P210 | P210-A212 PolarHBondContact O-N 3.46Š|
| 213 | P | 60.4 | Low | 46.5 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 141 | 173.4 | 26.7 | -33.6 | 0 | 0 | 0 | 109.1 | | |
| 214 | P | 55.7 | Low | 45.8 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 70% | 0.695 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 145.9 | 172.4 | 28.2 | -34.1 | 0 | 0 | 0 | 109.4 | I216 | P214-I216 PolarHBondContact O-N 3.38Š|
| 215 | P | 45.2 | Very low | 45.1 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -61 | 127.9 | 177.7 | 25.9 | -33.7 | 0 | 0 | 0 | 109.9 | V217 | P215-V217 PolarHBondContact O-N 3.17Š|
| 216 | I | 47.8 | Very low | 44.1 | Very low | 165 Ų | 165 | 132.3 Ų | 132.3 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | | | trans | -73.7 | 110.9 | 174.2 | -58.9 | 174.8 | 0 | 0 | 0 | 107.1 | P214 A218 | P214-I216 PolarHBondContact O-N 3.38Å; I216-A218 PolarHBondContact O-N 3.34Å |
| 217 | V | 41.1 | Very low | 43.1 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 61% | 0.612 | 75% | 0.747 | S | S | * | * | | | trans | -76.1 | 108.6 | 170.2 | -179.2 | 0 | 0 | 0 | 0 | 107.4 | P215 F219 | P215-V217 PolarHBondContact O-N 3.17Å; V217-F219 HydrophobicContact CB-CE2 4.19Å; V217-F219 HydrophobicContact CG1-CD2 4.17Å; V217-F219 HydrophobicContact CG1-CE2 3.83Å; V217-F219 HydrophobicContact CG1-CZ 4.11Å; V217-F219 PolarHBondContact O-N 3.17Å; V217-F219 VanDerWaalsContact O-N 3.17Å |
| 218 | A | 35 | Very low | 42 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | | | trans | -72.1 | 105 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | I216 S220 | I216-A218 PolarHBondContact O-N 3.34Å; A218-S220 PolarHBondContact O-N 3.35Å; A218-S220 VanDerWaalsContact O-N 3.13Å |
| 219 | F | 37.8 | Very low | 41.4 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | | | trans | -79.4 | 91.3 | 172.1 | -81.1 | -80.3 | 0 | 0 | 0 | 110.1 | V217 T221 | V217-F219 HydrophobicContact CB-CE2 4.19Å; V217-F219 HydrophobicContact CG1-CD2 4.17Å; V217-F219 HydrophobicContact CG1-CE2 3.83Å; V217-F219 HydrophobicContact CG1-CZ 4.11Å; V217-F219 PolarHBondContact O-N 3.17Å; V217-F219 VanDerWaalsContact O-N 3.17Å; F219-T221 PolarHBondContact O-N 2.93Å |
| 220 | S | 31.5 | Very low | 40.5 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | | | trans | -56.3 | 124.3 | 158.2 | -52 | 0 | 0 | 0 | 0 | 108.5 | A218 | A218-S220 PolarHBondContact O-N 3.35Å; A218-S220 VanDerWaalsContact O-N 3.13Å |
| 221 | T | 35.9 | Very low | 39.5 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | | | trans | -140.9 | 69.6 | 174.3 | -46.8 | 0 | 0 | 0 | 0 | 110.2 | F219 N223 | F219-T221 PolarHBondContact O-N 2.93Å; T221-N223 PolarHBondContact O-N 3.49Å |
| 222 | E | 31.9 | Very low | 38.1 | Very low | 190 Ų | 190 | 128.3 Ų | 128.3 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | | | trans | -61.5 | 117.2 | 148.9 | -70.1 | -177.4 | 108.3 | 0 | 0 | 108.2 | | |
| 223 | N | 35.9 | Very low | 37.2 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | trans | -165.7 | 103.8 | 154.5 | -89.7 | -46.4 | 0 | 0 | 0 | 105.9 | T221 | T221-N223 PolarHBondContact O-N 3.49Š|
| 224 | S | 31.3 | Very low | 36 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | | | | 58.8 | 83.5 | 63.8 | -163.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 225 | A | 33 | Very low | 34.9 | Very low | 86 Ų | 86 | 140.7 Ų | 140.7 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | | 165.7 | 131.7 | 105.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 226 | K | 30.2 | Very low | 34.5 | Very low | 186 Ų | 186 | 143 Ų | 143 | 81% | 0.809 | 77% | 0.771 | S | S | * | * | | | trans | 34.7 | 117.5 | 142.4 | -59.2 | 176.9 | 179.5 | 178.5 | 0 | 119.8 | | |
| 227 | C | 29.6 | Very low | 33.9 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 91% | 0.905 | 76% | 0.763 | S | S | * | * | | | | -132.7 | 122.2 | 124.1 | -83.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 228 | C | 28.4 | Very low | 33.5 | Very low | 113 Ų | 113 | 143 Ų | 143 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | | | trans | -115.6 | 106.7 | 172.9 | -61.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 229 | E | 36.4 | Very low | 33.6 | Very low | 184 Ų | 184 | 147 Ų | 147 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | -173.1 | 140.3 | 170.6 | -106.9 | 164.7 | -139.6 | 0 | 0 | 106.6 | | |
| 230 | N | 33.8 | Very low | 33.4 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 65% | 0.647 | 78% | 0.782 | S | S | * | * | | | cis | -156.3 | 156.2 | -27.1 | -123.7 | 27.2 | 0 | 0 | 0 | 107.7 | | |
| 231 | E | 32.3 | Very low | 33.5 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | 31.8 | 99.3 | 145.2 | -56.7 | 171.8 | 113.1 | 0 | 0 | 119.8 | | |
| 232 | S | 33.6 | Very low | 33.6 | Very low | 94 Ų | 94 | 145 Ų | 145 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | | | | 171.1 | 137.1 | 117.4 | -83.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 233 | R | 34.3 | Very low | 34.1 | Very low | 210 Ų | 210 | 146.7 Ų | 146.7 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | | | | 58.3 | 125.6 | 128.3 | -60.8 | 177.4 | -160.4 | -121.6 | 0.2 | 119 | | |
| 234 | D | 36 | Very low | 34.2 | Very low | 134 Ų | 134 | 146 Ų | 146 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | | | cis | -143.6 | 153.3 | 4.9 | -75.3 | -51 | 0 | 0 | 0 | 111.4 | | |
| 235 | F | 31.3 | Very low | 34.4 | Very low | 220 Ų | 220 | 144.1 Ų | 144.1 | 97% | 0.965 | 80% | 0.796 | S | S | * | * | | | trans | -104.1 | 99.6 | 165.9 | -85 | -90.7 | 0 | 0 | 0 | 108.6 | | |
| 236 | E | 37.8 | Very low | 34.5 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | -131.1 | 125.4 | 166.9 | -79.2 | -161.4 | 121.7 | 0 | 0 | 112.6 | | |
| 237 | L | 34.2 | Very low | 34.8 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | | | trans | 53.9 | 94.2 | 138.7 | -60.9 | 165 | 0 | 0 | 0 | 118.6 | E239 | L237-E239 HydrophobicContact CB-CG 4.32Å; L237-E239 HydrophobicContact CD2-CG 4.35Å |
| 238 | C | 33 | Very low | 35.1 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | | | | -79 | 109.8 | 125.7 | -72.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 239 | E | 38.2 | Very low | 35.3 | Very low | 171 Ų | 171 | 149 Ų | 149 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | | | trans | -67 | 152.4 | 175 | -72.8 | -171.7 | 109.1 | 0 | 0 | 112.4 | L237 | L237-E239 HydrophobicContact CB-CG 4.32Å; L237-E239 HydrophobicContact CD2-CG 4.35Å |
| 240 | G | 32.4 | Very low | 34.9 | Very low | 75 Ų | 75 | 147.7 Ų | 147.7 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | trans | -75.9 | 128.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D242 | G240-D242 VanDerWaalsContact C-N 3.35Å; G240-D242 PolarHBondContact O-N 2.92Å; G240-D242 VanDerWaalsContact O-N 3.13Å |
| 241 | S | 34.8 | Very low | 34.6 | Very low | 127 Ų | 127 | 150.4 Ų | 150.4 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | trans | -85.7 | 66.7 | 176.6 | 177.1 | 0 | 0 | 0 | 0 | 112.4 | R243 | S241-R243 PolarHBondContact O-N 2.83Š|
| 242 | D | 38 | Very low | 34.5 | Very low | 152 Ų | 152 | 151.4 Ų | 151.4 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | -83.5 | 101.7 | 176.2 | -103.8 | -27.3 | 0 | 0 | 0 | 112.6 | G240 | G240-D242 VanDerWaalsContact C-N 3.35Å; G240-D242 PolarHBondContact O-N 2.92Å; G240-D242 VanDerWaalsContact O-N 3.13Å |
| 243 | R | 41.7 | Very low | 34.2 | Very low | 227 Ų | 227 | 152.2 Ų | 152.2 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | S | Bend | | 175.4 | 125.5 | 129.2 | -94.7 | 151.2 | -168.3 | -102.7 | -3.8 | 114.9 | S241 | S241-R243 PolarHBondContact O-N 2.83Š|
| 244 | S | 37.8 | Very low | 33.9 | Very low | 125 Ų | 125 | 150.2 Ų | 150.2 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | 52.9 | 114.8 | 154.2 | 59.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 245 | G | 35.2 | Very low | 33.5 | Very low | 74 Ų | 74 | 149.6 Ų | 149.6 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | | | trans | -165.2 | -6.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 246 | N | 34.4 | Very low | 33.3 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | | | trans | 69.3 | 142.9 | 179.4 | -91.4 | 47.3 | 0 | 0 | 0 | 118.6 | | |
| 247 | D | 36.8 | Very low | 32.9 | Very low | 115 Ų | 115 | 146.2 Ų | 146.2 | 62% | 0.615 | 79% | 0.792 | S | S | * | * | | | trans | 63.4 | 97.1 | 148.1 | -49.3 | -23.2 | 0 | 0 | 0 | 120.6 | | |
| 248 | H | 36.1 | Very low | 32.5 | Very low | 177 Ų | 177 | 148.9 Ų | 148.9 | 82% | 0.819 | 80% | 0.798 | S | S | * | * | | | | 47 | 137.2 | 129.5 | -50.4 | -63.1 | 0 | 0 | 0 | 120.2 | | |
| 249 | Q | 32.7 | Very low | 32.3 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | cis | -153 | 157.8 | 27.1 | -165.3 | 164.4 | -1.3 | 0 | 0 | 112 | | |
| 250 | E | 27.6 | Very low | 31.9 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 73% | 0.729 | 79% | 0.788 | S | S | * | * | | | trans | -91.7 | 172.6 | -175.4 | -58.9 | 167.8 | 121.1 | 0 | 0 | 113.7 | | |
| 251 | F | 28.5 | Very low | 31.8 | Very low | 177 Ų | 177 | 148 Ų | 148 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | 71.7 | 153.9 | 174.1 | -55.6 | -82.9 | 0 | 0 | 0 | 115.3 | | |
| 252 | E | 30.8 | Very low | 31.5 | Very low | 183 Ų | 183 | 147.2 Ų | 147.2 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | | | cis | -136.6 | 173.6 | 13.8 | -155 | 159.6 | -142.3 | 0 | 0 | 112.7 | | |
| 253 | C | 26 | Very low | 31 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 75% | 0.75 | 78% | 0.775 | S | S | * | * | | | trans | -94.2 | 179.8 | -166.7 | -69.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 254 | E | 28.4 | Very low | 30.2 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | | | trans | 95.9 | 120.9 | 148.3 | -82 | -168 | -163.2 | 0 | 0 | 122.2 | | |
| 255 | N | 28 | Very low | 29.5 | Very low | 121 Ų | 121 | 144 Ų | 144 | 65% | 0.647 | 77% | 0.767 | S | S | * | * | | | trans | 93.6 | 100.2 | 135 | -67.7 | -27.6 | 0 | 0 | 0 | 122.2 | | |
| 256 | L | 27.4 | Very low | 29.2 | Very low | 148 Ų | 148 | 145.7 Ų | 145.7 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | | | trans | 87.1 | 138.3 | 135.2 | -91.3 | 76.1 | 0 | 0 | 0 | 120.4 | | |
| 257 | L | 28.2 | Very low | 28.9 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | | | trans | 72.5 | 67.4 | 161.1 | -59.9 | 171.5 | 0 | 0 | 0 | 118.7 | | |
| 258 | K | 26.7 | Very low | 28.3 | Very low | 184 Ų | 184 | 145 Ų | 145 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | | | trans | -138.1 | 142.9 | 136.8 | -104.1 | 175.2 | -177.6 | 179.8 | 0 | 108 | | |
| 259 | P | 29.1 | Very low | 27.8 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | | -142 | 144.3 | 76.5 | 37.4 | -21.2 | 0 | 0 | 0 | 116.3 | | |
| 260 | D | 29.6 | Very low | 27.4 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | | | trans | -75.7 | 148.6 | 140.9 | -66.3 | -67 | 0 | 0 | 0 | 108.2 | | |
| 261 | P | 30.9 | Very low | 27.4 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | | | | -145.7 | 148 | 120.4 | 34.4 | -19.1 | 0 | 0 | 0 | 116.2 | | |
| 262 | C | 28 | Very low | 27.5 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 75% | 0.75 | 74% | 0.737 | S | S | * | * | | | trans | 38.8 | 113.3 | 135.4 | -52.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 263 | L | 26.9 | Very low | 27.5 | Very low | 144 Ų | 144 | 132.4 Ų | 132.4 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | | | | 76.1 | 128.9 | 70.2 | -72.1 | 175.3 | 0 | 0 | 0 | 116.4 | | |
| 264 | F | 25.8 | Very low | 27.7 | Very low | 181 Ų | 181 | 132.6 Ų | 132.6 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | | | trans | 63.5 | 98.4 | 158.7 | -66.5 | -64 | 0 | 0 | 0 | 122.2 | | |
| 265 | S | 23.3 | Very low | 27.7 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | | | | 43.2 | 93.8 | 109.7 | -178.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 266 | S | 29.1 | Very low | 27.9 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | | | trans | -141.8 | 130.4 | 138.8 | 48.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 267 | V | 26.8 | Very low | 28.1 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 74% | 0.739 | 73% | 0.734 | S | S | * | * | | | | 81.6 | 105.7 | 55.6 | 175.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 268 | C | 24.1 | Very low | 28.4 | Very low | 120 Ų | 120 | 129 Ų | 129 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | | | trans | 67.5 | 154.1 | 172.8 | -58 | 0 | 0 | 0 | 0 | 115.4 | | |
| 269 | S | 26.8 | Very low | 29 | Very low | 97 Ų | 97 | 125.6 Ų | 125.6 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | | | cis | -139.3 | 172.6 | 14.1 | -59.6 | 0 | 0 | 0 | 0 | 113.7 | Q74 | Q74-S269 PolarHBondContact NE2-O 3.27Š|
| 270 | Y | 23.5 | Very low | 29.2 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 41% | 0.408 | 73% | 0.729 | S | S | . | * | | | trans | -86.3 | 138.4 | 168.6 | -91 | -139.2 | 0 | 0 | 0 | 112 | A73 Q74 K75 V77 | A73-Y270 WeakPolarHBondContact O-CE2 3.32Å; A73-Y270 PolarHBondContact O-OH 3.33Å; Q74-Y270 HydrophobicContact CG-CD2 3.88Å; Q74-Y270 HydrophobicContact CG-CE2 4.19Å; Q74-Y270 HydrophobicContact CG-CG 4.19Å; Q74-Y270 WeakPolarHBondContact O-CD1 3.33Å; Q74-Y270 WeakPolarHBondContact O-CE1 3.44Å; K75-Y270 PolarHBondContact N-OH 3.17Å; K75-Y270 VanDerWaalsContact N-OH 3.16Å; V77-Y270 WeakPolarHBondContact CG2-OH 3.49Å |
| 271 | S | 28.4 | Very low | 29.5 | Very low | 93 Ų | 93 | 129.2 Ų | 129.2 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | | | trans | -162.2 | 111.9 | 152.4 | -168.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 272 | A | 30.1 | Very low | 29.6 | Very low | 78 Ų | 78 | 128 Ų | 128 | 65% | 0.645 | 74% | 0.735 | S | S | * | * | | | cis | 92.2 | 95.4 | 46.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 273 | R | 30.6 | Very low | 29.7 | Very low | 245 Ų | 245 | 129.5 Ų | 129.5 | 93% | 0.925 | 74% | 0.735 | S | S | * | * | | | trans | 71.7 | 154.6 | 168.2 | -54.8 | 177.8 | 179.6 | -179 | -1.2 | 114.6 | | |
| 274 | C | 29 | Very low | 30.1 | Very low | 115 Ų | 115 | 131 Ų | 131 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | | | cis | -134.5 | 169.4 | 8 | -120 | 0 | 0 | 0 | 0 | 112 | | |
| 275 | P | 29.9 | Very low | 30.2 | Very low | 104 Ų | 104 | 125.9 Ų | 125.9 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | | | trans | -92.1 | 169.3 | -177.4 | 37.9 | -34.9 | 0 | 0 | 0 | 113.8 | V279 | P275-V279 HydrophobicContact CB-CG2 4.39Š|
| 276 | S | 30.9 | Very low | 30.5 | Very low | 99 Ų | 99 | 129 Ų | 129 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | | | trans | -139 | 118.5 | 175.9 | -169.7 | 0 | 0 | 0 | 0 | 113.6 | Q278 | S276-Q278 PolarHBondContact O-N 2.78Š|
| 277 | I | 33.3 | Very low | 31 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 41.7 | 48.5 | 146.1 | -34.5 | 178.2 | 0 | 0 | 0 | 118.6 | L280 | I277-L280 HydrophobicContact CG2-CD1 4.4Š|
| 278 | Q | 33.5 | Very low | 31.2 | Very low | 192 Ų | 192 | 133.6 Ų | 133.6 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | S | Bend | | -119 | 16.4 | 128.6 | -74.2 | -171 | -18.6 | 0 | 0 | 111.4 | S276 L280 | S276-Q278 PolarHBondContact O-N 2.78Å; Q278-L280 PolarHBondContact O-N 2.98Å; Q278-L280 VanDerWaalsContact O-N 3.1Å |
| 279 | V | 40 | Very low | 31.9 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 69% | 0.685 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 34.3 | -175.6 | -168.2 | 0 | 0 | 0 | 0 | 111.1 | P275 | P275-V279 HydrophobicContact CB-CG2 4.39Š|
| 280 | L | 33.7 | Very low | 32 | Very low | 142 Ų | 142 | 134 Ų | 134 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.7 | -12.7 | -167.8 | -93.2 | 167.7 | 0 | 0 | 0 | 116.3 | I277 Q278 A282 | I277-L280 HydrophobicContact CG2-CD1 4.4Å; Q278-L280 PolarHBondContact O-N 2.98Å; Q278-L280 VanDerWaalsContact O-N 3.1Å; L280-A282 PolarHBondContact O-N 3.37Å |
| 281 | E | 34.3 | Very low | 32.5 | Very low | 192 Ų | 192 | 139.1 Ų | 139.1 | 90% | 0.897 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -88.1 | 97.1 | 173.7 | -70.1 | -159.3 | 147.5 | 0 | 0 | 111.6 | | |
| 282 | A | 34.4 | Very low | 32.7 | Very low | 82 Ų | 82 | 140.9 Ų | 140.9 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | | | trans | 64 | 102.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | L280 L284 | L280-A282 PolarHBondContact O-N 3.37Å; A282-L284 PolarHBondContact O-N 2.95Å |
| 283 | D | 28.9 | Very low | 33.1 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | | | trans | -21.1 | 91.1 | 134.7 | -69.2 | -69.9 | 0 | 0 | 0 | 115.6 | | |
| 284 | L | 34.7 | Very low | 33.4 | Very low | 174 Ų | 174 | 136.7 Ų | 136.7 | 91% | 0.911 | 74% | 0.736 | S | S | * | * | | | trans | -111.5 | 42.4 | 148.7 | -68.9 | 177.1 | 0 | 0 | 0 | 109.8 | A282 | A282-L284 PolarHBondContact O-N 2.95Š|
| 285 | S | 29.1 | Very low | 33.8 | Very low | 74 Ų | 74 | 141.3 Ų | 141.3 | 52% | 0.517 | 74% | 0.739 | S | S | . | * | | | trans | -80.2 | 150.7 | 161.4 | 81.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 286 | Q | 29.7 | Very low | 34.6 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | | | trans | 64.4 | 58.1 | 165.1 | -51.6 | -177.9 | 48.4 | 0 | 0 | 119.1 | | |
| 287 | E | 38.4 | Very low | 35.5 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 77% | 0.771 | 74% | 0.743 | S | S | * | * | | | trans | -122.8 | 68.3 | 138.5 | -78.3 | -141 | 160.2 | 0 | 0 | 111.7 | I289 | E287-I289 HydrophobicContact CB-CD1 4.38Å; E287-I289 HydrophobicContact CB-CG1 4.11Å; E287-I289 VanDerWaalsContact CD-CD1 3.42Å; E287-I289 HydrophobicContact CG-CD1 3.89Å; E287-I289 HydrophobicContact CG-CG1 4.16Å; E287-I289 PolarHBondContact O-N 3.31Å; E287-I289 VanDerWaalsContact OE1-CD1 3.31Å; E287-I289 WeakPolarHBondContact OE1-CD1 3.5Å |
| 288 | N | 32.6 | Very low | 36.2 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | | | trans | -77.4 | 55.1 | 162.2 | -174.1 | 28.7 | 0 | 0 | 0 | 109.9 | | |
| 289 | I | 38 | Very low | 36.7 | Very low | 84 Ų | 84 | 138.2 Ų | 138.2 | 43% | 0.431 | 74% | 0.742 | S | S | . | * | | | trans | -99.9 | 105.5 | -174.3 | -48.7 | -171 | 0 | 0 | 0 | 111 | E287 W291 | E287-I289 HydrophobicContact CB-CD1 4.38Å; E287-I289 HydrophobicContact CB-CG1 4.11Å; E287-I289 VanDerWaalsContact CD-CD1 3.42Å; E287-I289 HydrophobicContact CG-CD1 3.89Å; E287-I289 HydrophobicContact CG-CG1 4.16Å; E287-I289 PolarHBondContact O-N 3.31Å; E287-I289 VanDerWaalsContact OE1-CD1 3.31Å; E287-I289 WeakPolarHBondContact OE1-CD1 3.5Å; I289-W291 HydrophobicContact CG2-CD2 4.18Å; I289-W291 HydrophobicContact CG2-CG 4.13Å; I289-W291 HydrophobicContact CG2-CZ2 4.24Å; I289-W291 VanDerWaalsContact CG2-NE1 3.29Å; I289-W291 PolarHBondContact O-N 2.81Å |
| 290 | N | 29.5 | Very low | 36.7 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | | | trans | -73.3 | 81.9 | 176.1 | -179.7 | 47.5 | 0 | 0 | 0 | 111.7 | D292 | N290-D292 VanDerWaalsContact C-N 3.27Å; N290-D292 PolarHBondContact O-N 2.88Å; N290-D292 VanDerWaalsContact O-N 3.12Å |
| 291 | W | 33 | Very low | 37.1 | Very low | 212 Ų | 212 | 139.8 Ų | 139.8 | 80% | 0.803 | 76% | 0.756 | S | S | * | * | | | trans | -84.1 | 61 | 173.7 | -75.8 | 122.1 | 0 | 0 | 0 | 113.4 | I289 S293 | I289-W291 HydrophobicContact CG2-CD2 4.18Å; I289-W291 HydrophobicContact CG2-CG 4.13Å; I289-W291 HydrophobicContact CG2-CZ2 4.24Å; I289-W291 VanDerWaalsContact CG2-NE1 3.29Å; I289-W291 PolarHBondContact O-N 2.81Å; W291-S293 PolarHBondContact O-N 3.24Å |
| 292 | D | 32.9 | Very low | 37.3 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | | | trans | -82.9 | 89.1 | 159.1 | -178.8 | 18 | 0 | 0 | 0 | 109.5 | N290 | N290-D292 VanDerWaalsContact C-N 3.27Å; N290-D292 PolarHBondContact O-N 2.88Å; N290-D292 VanDerWaalsContact O-N 3.12Å |
| 293 | S | 38.4 | Very low | 37.4 | Very low | 79 Ų | 79 | 136.5 Ų | 136.5 | 55% | 0.552 | 75% | 0.751 | S | S | * | * | | | trans | -168 | 114.2 | 160.2 | -88.2 | 0 | 0 | 0 | 0 | 114.2 | W291 Y295 | W291-S293 PolarHBondContact O-N 3.24Å; S293-Y295 PolarHBondContact O-N 3.24Å |
| 294 | N | 37.6 | Very low | 37.9 | Very low | 157 Ų | 157 | 136 Ų | 136 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | | | trans | -4.8 | 103 | 149.1 | -53.6 | -82.5 | 0 | 0 | 0 | 117.2 | | |
| 295 | Y | 36.5 | Very low | 38.2 | Very low | 211 Ų | 211 | 133.3 Ų | 133.3 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | | | trans | -123.9 | 133.9 | 157.8 | -89.8 | -87.8 | 0 | 0 | 0 | 110.5 | S293 | S293-Y295 PolarHBondContact O-N 3.24Š|
| 296 | P | 48.1 | Very low | 38.5 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 154 | 177.3 | 32.6 | -35 | 0 | 0 | 0 | 111.5 | | |
| 297 | P | 49.8 | Very low | 38.8 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 139.3 | 175.2 | 28.3 | -34.4 | 0 | 0 | 0 | 111.2 | | |
| 298 | P | 46.4 | Very low | 38.5 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 152.4 | 172.4 | 28.7 | -34 | 0 | 0 | 0 | 111.3 | | |
| 299 | P | 45.5 | Very low | 38.8 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 160 | -168.7 | 30.8 | -36.6 | 0 | 0 | 0 | 114.2 | L301 | P299-L301 PolarHBondContact O-N 3.22Š|
| 300 | S | 39.1 | Very low | 38.5 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 131.1 | 174 | -176 | 0 | 0 | 0 | 0 | 112.9 | | |
| 301 | L | 41.8 | Very low | 38.9 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 129 | 166 | -84.1 | 164.8 | 0 | 0 | 0 | 109.9 | P299 | P299-L301 PolarHBondContact O-N 3.22Š|
| 302 | A | 39.9 | Very low | 39 | Very low | 84 Ų | 84 | 130.7 Ų | 130.7 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69 | 153 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 303 | P | 35.3 | Very low | 39.1 | Very low | 121 Ų | 121 | 130 Ų | 130 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 135.9 | -172.8 | 28.9 | -35.3 | 0 | 0 | 0 | 112.7 | S305 | P303-S305 PolarHBondContact O-N 3.39Š|
| 304 | P | 40.5 | Very low | 38.9 | Very low | 132 Ų | 132 | 136 Ų | 136 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 125.8 | 169.8 | 29.9 | -32.7 | 0 | 0 | 0 | 110.5 | | |
| 305 | S | 39.9 | Very low | 38.7 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 125.1 | -179.2 | 56 | 0 | 0 | 0 | 0 | 112.9 | P303 | P303-S305 PolarHBondContact O-N 3.39Š|
| 306 | G | 35.5 | Very low | 38.7 | Very low | 74 Ų | 74 | 133.4 Ų | 133.4 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | | | trans | 54.2 | 93.2 | 144.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 307 | V | 36.1 | Very low | 38.2 | Very low | 143 Ų | 143 | 133.8 Ų | 133.8 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | | | trans | -144.9 | 120.8 | 144 | -104 | 0 | 0 | 0 | 0 | 109.6 | | |
| 308 | S | 33.2 | Very low | 37.8 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | | | trans | -83.5 | 120.3 | 176.3 | -58.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 309 | L | 37.4 | Very low | 37.5 | Very low | 172 Ų | 172 | 135.8 Ų | 135.8 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | | | trans | -104 | 77.9 | 166.2 | -76.2 | 175.4 | 0 | 0 | 0 | 110.2 | L311 | L309-L311 PolarHBondContact O-N 3.14Å; L309-L311 VanDerWaalsContact O-N 3.15Å |
| 310 | T | 33.1 | Very low | 37.3 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 77% | 0.767 | 81% | 0.81 | S | S | * | * | | | trans | -75 | 97.1 | 174.2 | -41.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 311 | L | 36.9 | Very low | 37.6 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | | | trans | -105.9 | 113.2 | 172.3 | -116.2 | 167.5 | 0 | 0 | 0 | 110.2 | L309 | L309-L311 PolarHBondContact O-N 3.14Å; L309-L311 VanDerWaalsContact O-N 3.15Å |
| 312 | M | 34.1 | Very low | 37.5 | Very low | 166 Ų | 166 | 135.6 Ų | 135.6 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -72.3 | 140.6 | -169.4 | -62 | 159.1 | 60.3 | 0 | 0 | 112.8 | | |
| 313 | S | 36.2 | Very low | 37.5 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -158.7 | 117.3 | 148.8 | -90.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 314 | R | 33.9 | Very low | 37.6 | Very low | 206 Ų | 206 | 138.5 Ų | 138.5 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | | | trans | 59.5 | 82.8 | 155.9 | -59.3 | -174.4 | 177.9 | -166.4 | -2.2 | 118 | Y316 | R314-Y316 HydrophobicContact CB-CE2 4.33Š|
| 315 | S | 34 | Very low | 37.4 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | -57.6 | 134.8 | 148.1 | -40.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 316 | Y | 36.7 | Very low | 37.5 | Very low | 196 Ų | 196 | 139 Ų | 139 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | -107.1 | 114.5 | 160.5 | -80.1 | -92.5 | 0 | 0 | 0 | 108.2 | R314 | R314-Y316 HydrophobicContact CB-CE2 4.33Š|
| 317 | S | 36.7 | Very low | 37.8 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 122.3 | -177.5 | -53.5 | 0 | 0 | 0 | 0 | 111 | | |
| 318 | L | 40.9 | Very low | 38.2 | Very low | 156 Ų | 156 | 144 Ų | 144 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 145.6 | 158.4 | -101.5 | 68.2 | 0 | 0 | 0 | 109.6 | | |
| 319 | P | 41.8 | Very low | 38.4 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 136.1 | 179.7 | 28.9 | -34 | 0 | 0 | 0 | 111 | | |
| 320 | S | 40.7 | Very low | 38.6 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 137.7 | 168.9 | -62 | 0 | 0 | 0 | 0 | 109.9 | L322 | S320-L322 PolarHBondContact O-N 3.35Š|
| 321 | P | 46 | Very low | 38.6 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 133.9 | 178.1 | 27.4 | -33.8 | 0 | 0 | 0 | 110.8 | N323 | P321-N323 PolarHBondContact O-N 2.86Š|
| 322 | L | 39 | Very low | 38.6 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 125.4 | -178.5 | -152.3 | 81.5 | 0 | 0 | 0 | 110.4 | S320 | S320-L322 PolarHBondContact O-N 3.35Š|
| 323 | N | 38.8 | Very low | 38.4 | Very low | 119 Ų | 119 | 139 Ų | 139 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | | | trans | -142 | 85.7 | 168.2 | -173.9 | -2.2 | 0 | 0 | 0 | 110.6 | P321 N325 | P321-N323 PolarHBondContact O-N 2.86Å; N323-N325 PolarHBondContact OD1-ND2 3.13Å; N323-N325 VanDerWaalsContact OD1-ND2 3.09Å; N323-N325 PolarHBondContact OD1-OD1 3.38Å |
| 324 | N | 38.9 | Very low | 38.4 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | trans | -104.9 | 103.7 | 163 | -77.7 | -0.8 | 0 | 0 | 0 | 108.1 | T326 | N324-T326 PolarHBondContact O-N 3.36Š|
| 325 | N | 36 | Very low | 38.2 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | | | trans | -75.7 | 107.7 | 168.5 | -56.8 | -77.8 | 0 | 0 | 0 | 109.3 | N323 | N323-N325 PolarHBondContact OD1-ND2 3.13Å; N323-N325 VanDerWaalsContact OD1-ND2 3.09Å; N323-N325 PolarHBondContact OD1-OD1 3.38Å |
| 326 | T | 41.7 | Very low | 38.1 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | | | trans | -157.5 | 134.9 | 150.2 | 7.7 | 0 | 0 | 0 | 0 | 111.3 | N324 | N324-T326 PolarHBondContact O-N 3.36Š|
| 327 | D | 41.3 | Very low | 37.7 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | trans | 58.9 | 133.7 | 148.9 | -63.3 | -4.5 | 0 | 0 | 0 | 122.4 | | |
| 328 | E | 44.7 | Very low | 37.6 | Very low | 183 Ų | 183 | 129.7 Ų | 129.7 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | | | trans | 56.2 | 117.5 | 138.1 | -64.7 | -60.8 | 132.2 | 0 | 0 | 120.4 | | |
| 329 | G | 38.6 | Very low | 37.1 | Very low | 61 Ų | 61 | 132.7 Ų | 132.7 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | | | trans | 124.5 | 107.8 | 143 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 330 | S | 41.4 | Very low | 36.9 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | trans | 41.5 | 103.2 | 143.8 | 56.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 331 | N | 32.1 | Very low | 36.8 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | | | | 22.4 | 124.8 | 115.5 | -47.3 | -29.5 | 0 | 0 | 0 | 117.9 | | |
| 332 | I | 37.1 | Very low | 36.5 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | | | | 173.9 | 150.3 | 114.9 | -88.4 | 154.4 | 0 | 0 | 0 | 110.4 | | |
| 333 | L | 30.9 | Very low | 36.7 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | trans | -65.9 | 139.5 | 176.7 | -73.7 | 62.8 | 0 | 0 | 0 | 112.3 | | |
| 334 | S | 35.5 | Very low | 36.6 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | | -167.8 | 142.5 | 121.3 | -83.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 335 | G | 28.8 | Very low | 36.8 | Very low | 76 Ų | 76 | 140.6 Ų | 140.6 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | | | trans | -90.3 | 155.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 336 | T | 32.5 | Very low | 37.2 | Very low | 140 Ų | 140 | 142.3 Ų | 142.3 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | | | trans | -136.4 | 117.1 | 166.4 | -55.6 | 0 | 0 | 0 | 0 | 108.3 | A338 | T336-A338 PolarHBondContact O-N 3.16Š|
| 337 | V | 29.4 | Very low | 37.1 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | trans | -84.2 | 111.7 | 179.2 | 177.6 | 0 | 0 | 0 | 0 | 108.6 | Y339 | V337-Y339 HydrophobicContact CG1-CD2 4.46Å; V337-Y339 HydrophobicContact CG1-CE2 4.32Å |
| 338 | A | 34.5 | Very low | 37.1 | Very low | 91 Ų | 91 | 144.3 Ų | 144.3 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | | | trans | -89.5 | 116.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | T336 | T336-A338 PolarHBondContact O-N 3.16Š|
| 339 | Y | 29.1 | Very low | 36.9 | Very low | 218 Ų | 218 | 139.7 Ų | 139.7 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | | | trans | -72 | 138.3 | 165.8 | -72.8 | -103 | 0 | 0 | 0 | 108.8 | V337 | V337-Y339 HydrophobicContact CG1-CD2 4.46Å; V337-Y339 HydrophobicContact CG1-CE2 4.32Å |
| 340 | L | 37.3 | Very low | 36.8 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | | | trans | -111.7 | 142.9 | 172.9 | -151.2 | 78.8 | 0 | 0 | 0 | 109.5 | | |
| 341 | E | 39.6 | Very low | 36.7 | Very low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | -70.1 | 142.4 | -169 | -63.1 | 168.9 | 104.1 | 0 | 0 | 113.7 | V343 | E341-V343 PolarHBondContact O-N 2.99Å; E341-V343 VanDerWaalsContact O-N 3.09Å |
| 342 | E | 39.7 | Very low | 36.8 | Very low | 196 Ų | 196 | 143 Ų | 143 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | | | trans | -71.3 | 99.5 | 169.1 | -71.2 | -171.5 | 126.3 | 0 | 0 | 110.6 | N344 | E342-N344 PolarHBondContact O-N 2.83Š|
| 343 | V | 43.3 | Very low | 36.6 | Very low | 120 Ų | 120 | 142 Ų | 142 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -69.8 | 96.2 | 173.8 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | E341 I345 | E341-V343 PolarHBondContact O-N 2.99Å; E341-V343 VanDerWaalsContact O-N 3.09Å; V343-I345 HydrophobicContact CG1-CD1 4.46Å; V343-I345 HydrophobicContact CG1-CG1 3.99Å; V343-I345 PolarHBondContact O-N 3.12Å |
| 344 | N | 36 | Very low | 36.9 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | -76.7 | 84.7 | -174.5 | -166.7 | -24.9 | 0 | 0 | 0 | 112 | E342 K346 | E342-N344 PolarHBondContact O-N 2.83Å; N344-K346 PolarHBondContact O-N 2.96Å |
| 345 | I | 42.6 | Very low | 37 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | | | trans | -82.1 | 111.1 | -179.2 | -55.9 | 174.2 | 0 | 0 | 0 | 110.2 | V343 | V343-I345 HydrophobicContact CG1-CD1 4.46Å; V343-I345 HydrophobicContact CG1-CG1 3.99Å; V343-I345 PolarHBondContact O-N 3.12Å |
| 346 | K | 44.2 | Very low | 37.6 | Very low | 176 Ų | 176 | 146 Ų | 146 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 138.7 | 172.2 | -68.8 | 179.1 | 177.8 | 176.9 | 0 | 111 | N344 L348 | N344-K346 PolarHBondContact O-N 2.96Å; K346-L348 PolarHBondContact O-N 2.98Å |
| 347 | P | 41.5 | Very low | 37.7 | Very low | 127 Ų | 127 | 147.1 Ų | 147.1 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 135.9 | 176.9 | 26.9 | -34.1 | 0 | 0 | 0 | 111.3 | | |
| 348 | L | 40.8 | Very low | 37.7 | Very low | 172 Ų | 172 | 145.4 Ų | 145.4 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 141.9 | 174.5 | -70.2 | 164.8 | 0 | 0 | 0 | 110.4 | K346 | K346-L348 PolarHBondContact O-N 2.98Š|
| 349 | A | 39.3 | Very low | 37.6 | Very low | 87 Ų | 87 | 143.9 Ų | 143.9 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 140.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 350 | P | 37 | Very low | 37.9 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 135.7 | -178.6 | 26.9 | -34.2 | 0 | 0 | 0 | 111.7 | T352 | P350-T352 PolarHBondContact O-N 2.9Å; P350-T352 VanDerWaalsContact O-N 3.12Å |
| 351 | I | 40.1 | Very low | 38 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -77.1 | 99.3 | -176 | -59.4 | 172.8 | 0 | 0 | 0 | 110.1 | N353 | I351-N353 VanDerWaalsContact C-N 3.35Å; I351-N353 HydrophobicContact CG2-CB 4.33Å; I351-N353 PolarHBondContact O-N 3.01Å |
| 352 | T | 33.7 | Very low | 37.9 | Very low | 129 Ų | 129 | 138 Ų | 138 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | -80.8 | 70.8 | -178.7 | 56.1 | 0 | 0 | 0 | 0 | 112.4 | P350 | P350-T352 PolarHBondContact O-N 2.9Å; P350-T352 VanDerWaalsContact O-N 3.12Å |
| 353 | N | 33.4 | Very low | 37.9 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | | | trans | -143.8 | 35.4 | -178.5 | -103.1 | -26.1 | 0 | 0 | 0 | 114.9 | I351 | I351-N353 VanDerWaalsContact C-N 3.35Å; I351-N353 HydrophobicContact CG2-CB 4.33Å; I351-N353 PolarHBondContact O-N 3.01Å |
| 354 | I | 37.4 | Very low | 37.5 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | | | trans | -123.7 | 88.6 | 170.5 | -51.2 | 178.6 | 0 | 0 | 0 | 109.1 | | |
| 355 | L | 37.3 | Very low | 37.6 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | trans | -74.5 | 127.3 | 171.4 | -75.6 | 167 | 0 | 0 | 0 | 109.7 | N357 | L355-N357 PolarHBondContact O-N 3.21Š|
| 356 | P | 42 | Very low | 37.4 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | | | trans | -73.7 | 112.8 | 176.4 | 28.9 | -32.7 | 0 | 0 | 0 | 110.2 | G358 | P356-G358 PolarHBondContact O-N 3.46Š|
| 357 | N | 33.2 | Very low | 37.6 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | | | trans | -53.9 | 124.4 | 177.6 | -82.8 | -25 | 0 | 0 | 0 | 111.5 | L355 G359 | L355-N357 PolarHBondContact O-N 3.21Å; N357-G359 VanDerWaalsContact C-N 3.27Å; N357-G359 PolarHBondContact O-N 3.22Å |
| 358 | G | 30.3 | Very low | 37.4 | Very low | 87 Ų | 87 | 143.6 Ų | 143.6 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | | | trans | -72.8 | 61.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | P356 S360 | P356-G358 PolarHBondContact O-N 3.46Å; G358-S360 PolarHBondContact O-N 3.25Å |
| 359 | G | 30.8 | Very low | 37.3 | Very low | 59 Ų | 59 | 137.4 Ų | 137.4 | 61% | 0.608 | 74% | 0.739 | S | S | * | * | | | trans | -71.3 | 120.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N357 F361 | N357-G359 VanDerWaalsContact C-N 3.27Å; N357-G359 PolarHBondContact O-N 3.22Å; G359-F361 PolarHBondContact O-N 2.84Å |
| 360 | S | 36 | Very low | 37.1 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | | | trans | -56.7 | 127.8 | -177 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | G358 I362 | G358-S360 PolarHBondContact O-N 3.25Å; S360-I362 VanDerWaalsContact C-N 3.3Å; S360-I362 PolarHBondContact O-N 3.47Å |
| 361 | F | 38.7 | Very low | 37.1 | Very low | 207 Ų | 207 | 139 Ų | 139 | 91% | 0.908 | 74% | 0.742 | S | S | * | * | | | trans | -71 | 75.5 | 179.8 | -77.5 | -84.1 | 0 | 0 | 0 | 113.3 | G359 R363 | G359-F361 PolarHBondContact O-N 2.84Å; F361-R363 PolarHBondContact O-N 3.05Å |
| 362 | I | 37.5 | Very low | 36.6 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | | | trans | -67.3 | 98.1 | 169.7 | -56.9 | 174 | 0 | 0 | 0 | 108.6 | S360 R364 | S360-I362 VanDerWaalsContact C-N 3.3Å; S360-I362 PolarHBondContact O-N 3.47Å; I362-R364 PolarHBondContact O-N 2.8Å |
| 363 | R | 40.4 | Very low | 36.6 | Very low | 208 Ų | 208 | 135.3 Ų | 135.3 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | | | trans | -67 | 95.4 | 176.8 | -75.2 | -171.4 | 174.7 | 173.6 | 3.8 | 110.9 | F361 H365 | F361-R363 PolarHBondContact O-N 3.05Å; R363-H365 PolarHBondContact O-CD2 3.07Å; R363-H365 PolarHBondContact O-N 2.67Å |
| 364 | R | 34.5 | Very low | 36.4 | Very low | 233 Ų | 233 | 133.5 Ų | 133.5 | 88% | 0.879 | 73% | 0.733 | S | S | * | * | | | trans | -67.7 | 109.7 | 165.9 | -69.1 | -176.6 | 173.6 | -174.5 | -1.9 | 109.2 | I362 | I362-R364 PolarHBondContact O-N 2.8Š|
| 365 | H | 39.1 | Very low | 36 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | | | trans | -68.6 | 143.7 | 171.6 | -77.2 | -111.9 | 0 | 0 | 0 | 110.3 | R363 A369 | R363-H365 PolarHBondContact O-CD2 3.07Å; R363-H365 PolarHBondContact O-N 2.67Å; H365-A369 HydrophobicContact CB-CB 4.36Å |
| 366 | P | 38.9 | Very low | 35.8 | Very low | 59 Ų | 59 | 131.2 Ų | 131.2 | 38% | 0.383 | 73% | 0.727 | S | S | . | * | | | trans | -69.5 | 150.1 | 177.9 | 29.7 | -34.8 | 0 | 0 | 0 | 111.2 | W368 A369 | P366-W368 HydrophobicContact CB-CD2 4.29Å; P366-W368 HydrophobicContact CB-CZ2 4.05Å; P366-W368 HydrophobicContact CG-CD2 4.13Å; P366-W368 HydrophobicContact CG-CE3 4.38Å; P366-W368 HydrophobicContact CG-CH2 3.97Å; P366-W368 HydrophobicContact CG-CZ2 3.68Å; P366-W368 HydrophobicContact CG-CZ3 4.31Å; P366-W368 PolarHBondContact O-N 3.24Å; P366-A369 HydrophobicContact CG-CB 4.19Å; P366-A369 WeakPolarHBondContact O-CB 3.44Å; P366-A369 PolarHBondContact O-N 3.03Å |
| 367 | K | 48.4 | Very low | 35.3 | Very low | 224 Ų | 224 | 133.5 Ų | 133.5 | 97% | 0.974 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -13.9 | -173.8 | -91.4 | -174 | 172.4 | -177.6 | 0 | 116.7 | | |
| 368 | W | 37 | Very low | 35.2 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 60% | 0.602 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | -4.8 | 179.2 | 50.4 | -105.4 | 0 | 0 | 0 | 113.6 | P366 V370 | P366-W368 HydrophobicContact CB-CD2 4.29Å; P366-W368 HydrophobicContact CB-CZ2 4.05Å; P366-W368 HydrophobicContact CG-CD2 4.13Å; P366-W368 HydrophobicContact CG-CE3 4.38Å; P366-W368 HydrophobicContact CG-CH2 3.97Å; P366-W368 HydrophobicContact CG-CZ2 3.68Å; P366-W368 HydrophobicContact CG-CZ3 4.31Å; P366-W368 PolarHBondContact O-N 3.24Å; W368-V370 VanDerWaalsContact C-N 3.34Å; W368-V370 PolarHBondContact O-N 3.47Å |
| 369 | A | 39.1 | Very low | 35.1 | Very low | 41 Ų | 41 | 136.1 Ų | 136.1 | 34% | 0.339 | 72% | 0.716 | S | S | . | * | S | Bend | trans | -70.6 | 94.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | H365 P366 S371 | H365-A369 HydrophobicContact CB-CB 4.36Å; P366-A369 HydrophobicContact CG-CB 4.19Å; P366-A369 WeakPolarHBondContact O-CB 3.44Å; P366-A369 PolarHBondContact O-N 3.03Å; A369-S371 PolarHBondContact O-N 3.07Å |
| 370 | V | 34.5 | Very low | 35.2 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | | | trans | -54.1 | 115.9 | 171 | 175.5 | 0 | 0 | 0 | 0 | 107.6 | W368 C372 | W368-V370 VanDerWaalsContact C-N 3.34Å; W368-V370 PolarHBondContact O-N 3.47Å; V370-C372 VanDerWaalsContact C-N 3.35Å; V370-C372 PolarHBondContact O-N 3.26Å |
| 371 | S | 36.6 | Very low | 34.8 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 67% | 0.671 | 72% | 0.721 | S | S | * | * | | | trans | -67.7 | 97.4 | 170.8 | 50.8 | 0 | 0 | 0 | 0 | 108 | A369 S373 | A369-S371 PolarHBondContact O-N 3.07Å; S371-S373 PolarHBondContact O-N 3.2Å; S371-S373 PolarHBondContact O-OG 3.12Å |
| 372 | C | 29.9 | Very low | 34.4 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | | | trans | -61.3 | 83.4 | 158 | -67.3 | 0 | 0 | 0 | 0 | 107.4 | V370 S374 | V370-C372 VanDerWaalsContact C-N 3.35Å; V370-C372 PolarHBondContact O-N 3.26Å; C372-S374 PolarHBondContact O-N 3.5Å |
| 373 | S | 32.8 | Very low | 34 | Very low | 88 Ų | 88 | 136.3 Ų | 136.3 | 62% | 0.615 | 71% | 0.714 | S | S | * | * | | | trans | -74.3 | 83.7 | 179 | 34.3 | 0 | 0 | 0 | 0 | 108.2 | S371 D375 | S371-S373 PolarHBondContact O-N 3.2Å; S371-S373 PolarHBondContact O-OG 3.12Å; S373-D375 PolarHBondContact O-N 2.99Å |
| 374 | S | 28.9 | Very low | 33.6 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | | | trans | -58.8 | 80.3 | 153.7 | 53.8 | 0 | 0 | 0 | 0 | 108.8 | C372 | C372-S374 PolarHBondContact O-N 3.5Š|
| 375 | D | 30.3 | Very low | 33.4 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 83% | 0.829 | 71% | 0.711 | S | S | * | * | | | trans | -176.7 | 60 | 168 | -95 | -24.4 | 0 | 0 | 0 | 111.7 | S373 | S373-D375 PolarHBondContact O-N 2.99Š|
| 376 | T | 32.3 | Very low | 33.3 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | | | trans | -154.3 | 17.1 | 162.8 | -9.8 | 0 | 0 | 0 | 0 | 118 | R378 | T376-R378 PolarHBondContact O-N 3.09Š|
| 377 | I | 31.3 | Very low | 33 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | | | trans | -76.3 | 77.4 | 160.4 | -58.5 | -175.4 | 0 | 0 | 0 | 108 | S379 | I377-S379 VanDerWaalsContact C-N 3.31Å; I377-S379 PolarHBondContact O-N 3.35Å |
| 378 | R | 32.3 | Very low | 32.6 | Very low | 213 Ų | 213 | 128.6 Ų | 128.6 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | | | trans | -80.5 | 77.4 | 179.1 | -175.7 | 178.8 | 171.5 | 157.3 | -0.3 | 109.6 | T376 H380 | T376-R378 PolarHBondContact O-N 3.09Å; R378-H380 PolarHBondContact O-N 2.92Å |
| 379 | S | 27.9 | Very low | 32.2 | Very low | 92 Ų | 92 | 129.4 Ų | 129.4 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | | | trans | -73.7 | 39.9 | -179 | 44.5 | 0 | 0 | 0 | 0 | 114.7 | I377 | I377-S379 VanDerWaalsContact C-N 3.31Å; I377-S379 PolarHBondContact O-N 3.35Å |
| 380 | H | 32.3 | Very low | 32.3 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | | | trans | -133.9 | 89.8 | 165.6 | -65.6 | -47.9 | 0 | 0 | 0 | 108 | R378 | R378-H380 PolarHBondContact O-N 2.92Š|
| 381 | T | 28.6 | Very low | 32.2 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | | | | 62.2 | 140.8 | 86.4 | 65.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 382 | T | 30.2 | Very low | 32.5 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | | | trans | 95.5 | 75.3 | 167.8 | -41.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 383 | V | 29.1 | Very low | 32.9 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | | | trans | 30.5 | 120.7 | 135.8 | -142.4 | 0 | 0 | 0 | 0 | 120.2 | | |
| 384 | R | 32.2 | Very low | 33.5 | Very low | 217 Ų | 217 | 138.7 Ų | 138.7 | 82% | 0.819 | 76% | 0.758 | S | S | * | * | | | | 170.4 | 115 | 106.9 | -89.3 | -178.6 | -178.7 | -176.7 | 0.1 | 114.6 | | |
| 385 | F | 28.4 | Very low | 34.2 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | | | trans | 36.5 | 116.6 | 150.4 | -53 | -74.7 | 0 | 0 | 0 | 121.8 | | |
| 386 | P | 37.4 | Very low | 35.4 | Very low | 129 Ų | 129 | 139 Ų | 139 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | | | trans | -79.3 | 142.6 | 136.2 | 34.7 | -29.7 | 0 | 0 | 0 | 110 | | |
| 387 | G | 32.4 | Very low | 36.1 | Very low | 78 Ų | 78 | 140.1 Ų | 140.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | -110.7 | 114.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 388 | S | 40.2 | Very low | 36.9 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | | | trans | -164.1 | 127.1 | 160.9 | 53.7 | 0 | 0 | 0 | 0 | 110.2 | S390 | S388-S390 PolarHBondContact O-N 2.84Š|
| 389 | N | 29.9 | Very low | 37.8 | Very low | 175 Ų | 175 | 130.9 Ų | 130.9 | 94% | 0.936 | 74% | 0.735 | S | S | * | * | | | trans | -80.9 | 113.4 | -177.4 | -63.5 | -19.1 | 0 | 0 | 0 | 111.2 | | |
| 390 | S | 40.7 | Very low | 38.9 | Very low | 87 Ų | 87 | 132.4 Ų | 132.4 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | | | trans | -139.2 | 105.5 | 157.9 | 58.5 | 0 | 0 | 0 | 0 | 108.5 | S388 I392 | S388-S390 PolarHBondContact O-N 2.84Å; S390-I392 PolarHBondContact O-N 3.28Å; S390-I392 VanDerWaalsContact O-N 3.13Å |
| 391 | I | 31.8 | Very low | 40 | Very low | 161 Ų | 161 | 130.8 Ų | 130.8 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | | | trans | -69.8 | 109 | 174 | -60.4 | 170.4 | 0 | 0 | 0 | 106.8 | | |
| 392 | I | 42.8 | Very low | 41.2 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 53% | 0.533 | 75% | 0.751 | S | S | . | * | | | trans | -132.5 | 110.2 | 170.4 | -56 | 176.9 | 0 | 0 | 0 | 105.1 | S390 F394 | S390-I392 PolarHBondContact O-N 3.28Å; S390-I392 VanDerWaalsContact O-N 3.13Å; I392-F394 VanDerWaalsContact C-N 3.29Å; I392-F394 HydrophobicContact CB-CD2 4.11Å; I392-F394 HydrophobicContact CB-CE2 3.76Å; I392-F394 HydrophobicContact CB-CZ 4.49Å; I392-F394 HydrophobicContact CD1-CE2 4.41Å; I392-F394 HydrophobicContact CG2-CD2 3.84Å; I392-F394 HydrophobicContact CG2-CE1 4.39Å; I392-F394 HydrophobicContact CG2-CE2 3.44Å; I392-F394 VanDerWaalsContact CG2-CE2 3.44Å; I392-F394 HydrophobicContact CG2-CG 4.47Å; I392-F394 HydrophobicContact CG2-CZ 3.76Å; I392-F394 WeakPolarHBondContact O-CD2 3.41Å; I392-F394 PolarHBondContact O-N 3Å |
| 393 | D | 38.7 | Very low | 42.5 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | | | trans | -70.6 | 87.9 | 176 | -72.4 | -54.4 | 0 | 0 | 0 | 109.6 | D395 | D393-D395 PolarHBondContact O-N 2.99Š|
| 394 | F | 45.3 | Very low | 43.7 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | | | trans | -76.3 | 94.3 | 163.8 | -72.5 | -76.9 | 0 | 0 | 0 | 108.2 | I392 L396 | I392-F394 VanDerWaalsContact C-N 3.29Å; I392-F394 HydrophobicContact CB-CD2 4.11Å; I392-F394 HydrophobicContact CB-CE2 3.76Å; I392-F394 HydrophobicContact CB-CZ 4.49Å; I392-F394 HydrophobicContact CD1-CE2 4.41Å; I392-F394 HydrophobicContact CG2-CD2 3.84Å; I392-F394 HydrophobicContact CG2-CE1 4.39Å; I392-F394 HydrophobicContact CG2-CE2 3.44Å; I392-F394 VanDerWaalsContact CG2-CE2 3.44Å; I392-F394 HydrophobicContact CG2-CG 4.47Å; I392-F394 HydrophobicContact CG2-CZ 3.76Å; I392-F394 WeakPolarHBondContact O-CD2 3.41Å; I392-F394 PolarHBondContact O-N 3Å; F394-L396 PolarHBondContact O-N 2.79Å |
| 395 | D | 44 | Very low | 45.1 | Very low | 96 Ų | 96 | 124.8 Ų | 124.8 | 51% | 0.513 | 74% | 0.743 | S | S | . | * | | | trans | -57.5 | 109.6 | 174.4 | -174.6 | -8.7 | 0 | 0 | 0 | 109.7 | D393 N397 S398 | D393-D395 PolarHBondContact O-N 2.99Å; D395-N397 PolarHBondContact O-N 2.82Å; D395-N397 WeakPolarHBondContact OD1-CB 3.28Å; D395-N397 PolarHBondContact OD1-N 3.1Å; D395-N397 PolarHBondContact OD1-ND2 3.13Å; D395-S398 WeakPolarHBondContact O-CB 3.35Å; D395-S398 PolarHBondContact O-N 3.33Å; D395-S398 PolarHBondContact O-OG 3.19Å |
| 396 | L | 55.9 | Low | 46.5 | Very low | 174 Ų | 174 | 121.6 Ų | 121.6 | 91% | 0.911 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -8.5 | -176.6 | -74.9 | 160.7 | 0 | 0 | 0 | 113.4 | F394 | F394-L396 PolarHBondContact O-N 2.79Š|
| 397 | N | 46.7 | Very low | 47.1 | Very low | 143 Ų | 143 | 121 Ų | 121 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -8.4 | 172.7 | -52.1 | -77.7 | 0 | 0 | 0 | 112.7 | D395 S399 | D395-N397 PolarHBondContact O-N 2.82Å; D395-N397 WeakPolarHBondContact OD1-CB 3.28Å; D395-N397 PolarHBondContact OD1-N 3.1Å; D395-N397 PolarHBondContact OD1-ND2 3.13Å; N397-S399 PolarHBondContact O-N 3.32Å |
| 398 | S | 48.6 | Very low | 47.6 | Very low | 78 Ų | 78 | 123 Ų | 123 | 55% | 0.545 | 73% | 0.733 | S | S | . | * | S | Bend | trans | -77.8 | 112.3 | 174.3 | 65 | 0 | 0 | 0 | 0 | 110.7 | D395 | D395-S398 WeakPolarHBondContact O-CB 3.35Å; D395-S398 PolarHBondContact O-N 3.33Å; D395-S398 PolarHBondContact O-OG 3.19Å |
| 399 | S | 51 | Low | 47.5 | Very low | 107 Ų | 107 | 124.7 Ų | 124.7 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -54 | 135.7 | 175.4 | -59.8 | 0 | 0 | 0 | 0 | 110.5 | N397 S401 | N397-S399 PolarHBondContact O-N 3.32Å; S399-S401 PolarHBondContact O-N 3.1Å |
| 400 | P | 50.9 | Low | 48 | Very low | 123 Ų | 123 | 121.3 Ų | 121.3 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 129 | -176.3 | 23.1 | -33.6 | 0 | 0 | 0 | 110.4 | V402 | P400-V402 PolarHBondContact O-N 3.16Å; P400-V402 VanDerWaalsContact O-N 3.07Å |
| 401 | S | 54.5 | Low | 48 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -53 | 116.1 | -175.4 | 56.1 | 0 | 0 | 0 | 0 | 110.7 | S399 | S399-S401 PolarHBondContact O-N 3.1Š|
| 402 | V | 54.9 | Low | 48.1 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 123.4 | -179.8 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | P400 S404 | P400-V402 PolarHBondContact O-N 3.16Å; P400-V402 VanDerWaalsContact O-N 3.07Å; V402-S404 PolarHBondContact O-N 2.8Å |
| 403 | P | 57.7 | Low | 47.8 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 129.6 | 178.8 | 24.5 | -33.3 | 0 | 0 | 0 | 108.4 | | |
| 404 | S | 53.5 | Low | 47.7 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 133.6 | -174.4 | -49.1 | 0 | 0 | 0 | 0 | 110.1 | V402 | V402-S404 PolarHBondContact O-N 2.8Š|
| 405 | P | 61.6 | Low | 47.1 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 143.4 | 174.8 | 24.8 | -33.5 | 0 | 0 | 0 | 108.8 | | |
| 406 | P | 58.2 | Low | 46.8 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 141.5 | 174.4 | 24.7 | -33.9 | 0 | 0 | 0 | 108.5 | V408 | P406-V408 PolarHBondContact O-N 3.45Š|
| 407 | P | 50.6 | Low | 45.7 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -53 | 121.2 | -170.8 | 21.9 | -33.6 | 0 | 0 | 0 | 108.9 | I409 | P407-I409 VanDerWaalsContact C-N 3.31Å; P407-I409 PolarHBondContact O-N 3.1Å |
| 408 | V | 42.8 | Very low | 45 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | | | trans | -62.5 | 100.2 | -179.7 | -179.2 | 0 | 0 | 0 | 0 | 106.6 | P406 V410 | P406-V408 PolarHBondContact O-N 3.45Å; V408-V410 HydrophobicContact CG1-CG2 3.93Å; V408-V410 PolarHBondContact O-N 3.4Å |
| 409 | I | 38.2 | Very low | 44.1 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | | | trans | -65.8 | 92.1 | 162.8 | -59.3 | 178 | 0 | 0 | 0 | 103.6 | P407 E411 | P407-I409 VanDerWaalsContact C-N 3.31Å; P407-I409 PolarHBondContact O-N 3.1Å; I409-E411 HydrophobicContact CG2-CG 4.23Å; I409-E411 PolarHBondContact O-N 3.36Å |
| 410 | V | 40 | Very low | 43.4 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 62% | 0.624 | 76% | 0.761 | S | S | * | * | | | trans | -65.1 | 89.5 | 163.5 | -177.3 | 0 | 0 | 0 | 0 | 104.3 | V408 R412 | V408-V410 HydrophobicContact CG1-CG2 3.93Å; V408-V410 PolarHBondContact O-N 3.4Å; V410-R412 HydrophobicContact CG1-CG 3.97Å; V410-R412 PolarHBondContact O-N 2.95Å |
| 411 | E | 39.3 | Very low | 42.6 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | trans | -55.7 | 92.7 | 153.4 | -70.6 | -167.6 | 160.1 | 0 | 0 | 105.2 | I409 L413 | I409-E411 HydrophobicContact CG2-CG 4.23Å; I409-E411 PolarHBondContact O-N 3.36Å; E411-L413 PolarHBondContact O-N 3Å |
| 412 | R | 34.9 | Very low | 41.6 | Very low | 224 Ų | 224 | 135.4 Ų | 135.4 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | | | trans | -64.4 | 83.8 | 160.1 | -72.7 | -177 | 174.9 | 154.5 | -2.5 | 105 | V410 | V410-R412 HydrophobicContact CG1-CG 3.97Å; V410-R412 PolarHBondContact O-N 2.95Å |
| 413 | L | 35.9 | Very low | 40.6 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | | | trans | -39.6 | 126.6 | 153.7 | -66.5 | 172.8 | 0 | 0 | 0 | 105.6 | E411 C415 | E411-L413 PolarHBondContact O-N 3Å; L413-C415 VanDerWaalsContact C-N 3.35Å; L413-C415 PolarHBondContact O-N 3.23Å |
| 414 | P | 37.3 | Very low | 39.5 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | | | trans | -60.7 | 105.4 | 176.2 | 25.5 | -32 | 0 | 0 | 0 | 106.4 | E416 | P414-E416 PolarHBondContact O-N 3.2Å; P414-E416 VanDerWaalsContact O-N 3.11Å |
| 415 | C | 31.7 | Very low | 38.6 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | | | trans | -55.6 | 123.3 | 178.8 | -63.1 | 0 | 0 | 0 | 0 | 107.3 | L413 L417 | L413-C415 VanDerWaalsContact C-N 3.35Å; L413-C415 PolarHBondContact O-N 3.23Å; C415-L417 PolarHBondContact O-N 2.78Å |
| 416 | E | 37.6 | Very low | 37.1 | Very low | 187 Ų | 187 | 143.2 Ų | 143.2 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | | | trans | -69 | 87.3 | 178.9 | -68.7 | -166.7 | 143.9 | 0 | 0 | 109.3 | P414 D418 | P414-E416 PolarHBondContact O-N 3.2Å; P414-E416 VanDerWaalsContact O-N 3.11Å; E416-D418 VanDerWaalsContact C-N 3.29Å; E416-D418 PolarHBondContact O-N 3.48Å |
| 417 | L | 33.9 | Very low | 35.8 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | 35.8 | 51.8 | 140.1 | -146.8 | 82.4 | 0 | 0 | 0 | 115.8 | C415 I419 | C415-L417 PolarHBondContact O-N 2.78Å; L417-I419 HydrophobicContact CD2-CD1 4.48Å; L417-I419 HydrophobicContact CG-CG1 4.43Å; L417-I419 WeakPolarHBondContact O-CG1 3.41Å; L417-I419 PolarHBondContact O-N 3.23Å; L417-I419 VanDerWaalsContact O-N 3.14Å |
| 418 | D | 32.6 | Very low | 35 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | | | trans | -78.1 | 102 | 176.9 | -143.5 | -12.5 | 0 | 0 | 0 | 108.5 | E416 S420 | E416-D418 VanDerWaalsContact C-N 3.29Å; E416-D418 PolarHBondContact O-N 3.48Å; D418-S420 PolarHBondContact O-N 2.85Å; D418-S420 VanDerWaalsContact O-N 3.14Å |
| 419 | I | 30 | Very low | 34.4 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | -81.2 | 97.1 | -168.4 | -60.5 | 160.8 | 0 | 0 | 0 | 108.9 | L417 | L417-I419 HydrophobicContact CD2-CD1 4.48Å; L417-I419 HydrophobicContact CG-CG1 4.43Å; L417-I419 WeakPolarHBondContact O-CG1 3.41Å; L417-I419 PolarHBondContact O-N 3.23Å; L417-I419 VanDerWaalsContact O-N 3.14Å |
| 420 | S | 34.8 | Very low | 33.8 | Very low | 105 Ų | 105 | 143 Ų | 143 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | -139.7 | 141.4 | 165.5 | 48.4 | 0 | 0 | 0 | 0 | 112.7 | D418 | D418-S420 PolarHBondContact O-N 2.85Å; D418-S420 VanDerWaalsContact O-N 3.14Å |
| 421 | E | 35.2 | Very low | 33.4 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | | | trans | -69.3 | 176.6 | -157.9 | -57.5 | 166.2 | 114.7 | 0 | 0 | 115.7 | | |
| 422 | S | 33.5 | Very low | 33 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | | | trans | 75.2 | 142.6 | 167 | 80.2 | 0 | 0 | 0 | 0 | 116.9 | | |
| 423 | Q | 34.1 | Very low | 32.9 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 71% | 0.71 | 77% | 0.768 | S | S | * | * | | | cis | -160.2 | 143.8 | -17 | 167.6 | 168.1 | -7.9 | 0 | 0 | 109.9 | | |
| 424 | E | 34 | Very low | 32.8 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 65% | 0.645 | 77% | 0.772 | S | S | * | * | | | trans | 68.6 | 149.2 | 159.9 | -82.4 | 169 | -144.5 | 0 | 0 | 122.4 | | |
| 425 | Q | 33.9 | Very low | 32.8 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | | | trans | 80.1 | 92 | 164.1 | -38.2 | -147.3 | 1.1 | 0 | 0 | 116 | | |
| 426 | H | 30.9 | Very low | 33.2 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | | | | 65.4 | 127.2 | 80.1 | -58.4 | -47.4 | 0 | 0 | 0 | 112.3 | | |
| 427 | S | 30.9 | Very low | 33 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | | | cis | -170.5 | -168.1 | -3.6 | 50 | 0 | 0 | 0 | 0 | 109.7 | | |
| 428 | I | 33.7 | Very low | 33 | Very low | 150 Ų | 150 | 136 Ų | 136 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | 85.1 | 106.1 | 162.2 | -60.1 | 163.6 | 0 | 0 | 0 | 117.4 | | |
| 429 | C | 29.2 | Very low | 33.1 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | 66.2 | 95.3 | 146.6 | -65.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 430 | S | 26 | Very low | 33.4 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | | | trans | -47.8 | 145.2 | 143.2 | -35.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 431 | S | 32 | Very low | 33.5 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | | -179.1 | 114.7 | 114.7 | 55.9 | 0 | 0 | 0 | 0 | 114 | | |
| 432 | T | 30.3 | Very low | 33.9 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | | | trans | 44.1 | 123.6 | 140.6 | 49.1 | 0 | 0 | 0 | 0 | 123.2 | | |
| 433 | L | 34.5 | Very low | 34.1 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | trans | 82.7 | 106.6 | 134.3 | -62.4 | 165.7 | 0 | 0 | 0 | 121.1 | | |
| 434 | N | 33.6 | Very low | 34.5 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | | | | 79.3 | 98.4 | 124.3 | -63.2 | 2.9 | 0 | 0 | 0 | 121.8 | | |
| 435 | N | 36.9 | Very low | 35 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | | | | -26.2 | 155.5 | 126.3 | -110.4 | -30.5 | 0 | 0 | 0 | 114.2 | | |
| 436 | P | 39.9 | Very low | 35.2 | Very low | 99 Ų | 99 | 146.4 Ų | 146.4 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | | | cis | -151.5 | -176.9 | 48.4 | 43.1 | -23 | 0 | 0 | 0 | 117.9 | | |
| 437 | N | 32.7 | Very low | 35.4 | Very low | 133 Ų | 133 | 142 Ų | 142 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | trans | 60.6 | 97.8 | 152.1 | -64.7 | -25.2 | 0 | 0 | 0 | 119.4 | | |
| 438 | L | 34.9 | Very low | 35.7 | Very low | 153 Ų | 153 | 142 Ų | 142 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | | | trans | 176.9 | 107 | 134.1 | -93.1 | 162.1 | 0 | 0 | 0 | 106 | | |
| 439 | A | 34.4 | Very low | 36.2 | Very low | 79 Ų | 79 | 139.8 Ų | 139.8 | 65% | 0.653 | 78% | 0.782 | S | S | * | * | | | | 84.2 | 101.1 | 57.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 440 | R | 36.8 | Very low | 36.8 | Very low | 243 Ų | 243 | 140.5 Ų | 140.5 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | | | trans | 66.8 | 173 | 168.9 | -48.8 | 178.6 | 178.4 | -163.5 | -1.2 | 115.2 | | |
| 441 | P | 36.2 | Very low | 37.5 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | | | | -109.4 | 172.2 | -55.3 | 36.5 | -27.5 | 0 | 0 | 0 | 111.3 | F443 | P441-F443 PolarHBondContact O-N 3Š|
| 442 | I | 43.5 | Very low | 37.9 | Very low | 155 Ų | 155 | 142 Ų | 142 | 80% | 0.795 | 78% | 0.784 | S | S | * | * | | | trans | -82.8 | 108.2 | -171.2 | -60.9 | 176.3 | 0 | 0 | 0 | 111.8 | | |
| 443 | F | 38.6 | Very low | 38.4 | Very low | 189 Ų | 189 | 145.1 Ų | 145.1 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | | | trans | 56.7 | 125.4 | 162.9 | -54.7 | -51.5 | 0 | 0 | 0 | 121.2 | P441 | P441-F443 PolarHBondContact O-N 3Š|
| 444 | L | 41.4 | Very low | 38.8 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 95% | 0.948 | 80% | 0.796 | S | S | * | * | | | | -150 | 169.6 | 125 | -106.8 | 169.4 | 0 | 0 | 0 | 109.6 | | |
| 445 | K | 44.8 | Very low | 38.8 | Very low | 167 Ų | 167 | 146 Ų | 146 | 73% | 0.726 | 79% | 0.789 | S | S | * | * | | | trans | -122.8 | 139.1 | -141.8 | -150.6 | 176.6 | -174.6 | 170.8 | 0 | 114.7 | | |
| 446 | R | 39.1 | Very low | 39 | Very low | 231 Ų | 231 | 148.1 Ų | 148.1 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | trans | 71.6 | 148.2 | 169.5 | -37.1 | 179.5 | -148.9 | -133.1 | 7.8 | 115 | | |
| 447 | G | 33.8 | Very low | 38.6 | Very low | 78 Ų | 78 | 149.8 Ų | 149.8 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | cis | -171.5 | 168.5 | -4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 448 | A | 37.1 | Very low | 39.1 | Very low | 100 Ų | 100 | 150.8 Ų | 150.8 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | | | trans | -91.8 | -176.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 449 | P | 44.9 | Very low | 39.4 | Very low | 103 Ų | 103 | 150.6 Ų | 150.6 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | | | cis | -141.5 | -148.1 | 15.6 | 46.4 | -24.2 | 0 | 0 | 0 | 113.8 | | |
| 450 | D | 41.9 | Very low | 39.5 | Very low | 135 Ų | 135 | 155.3 Ų | 155.3 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | | | cis | -157.2 | 177.1 | 3.9 | -118.6 | -29.2 | 0 | 0 | 0 | 112.3 | | |
| 451 | D | 41.1 | Very low | 39.6 | Very low | 149 Ų | 149 | 146.7 Ų | 146.7 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | trans | 37 | 122.8 | 155.6 | -67.4 | -22.3 | 0 | 0 | 0 | 124.6 | | |
| 452 | A | 40.4 | Very low | 39.4 | Very low | 107 Ų | 107 | 148 Ų | 148 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | | | | 178.8 | 139.6 | 126.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 453 | E | 39.8 | Very low | 39.1 | Very low | 185 Ų | 185 | 146.4 Ų | 146.4 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | | | trans | -111.4 | 157.4 | -179.2 | -55.6 | -177.7 | 141.4 | 0 | 0 | 113.6 | | |
| 454 | Q | 42.2 | Very low | 39.1 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | | 179.1 | 158.1 | 124.9 | -97.9 | 168 | 25.7 | 0 | 0 | 113.1 | | |
| 455 | N | 34.3 | Very low | 39 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 63% | 0.631 | 77% | 0.773 | S | S | * | * | | | trans | -142.8 | 146.1 | -175.2 | 177.9 | 49.5 | 0 | 0 | 0 | 111.4 | D457 | N455-D457 PolarHBondContact ND2-OD2 3.03Š|
| 456 | F | 40.5 | Very low | 39 | Very low | 195 Ų | 195 | 144.2 Ų | 144.2 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | | | trans | -154.7 | 119 | 161.2 | -79.6 | -69.3 | 0 | 0 | 0 | 112 | | |
| 457 | D | 33.1 | Very low | 39 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | | | trans | -86.2 | 149.3 | 159.6 | -57.9 | -88.9 | 0 | 0 | 0 | 109.9 | N455 | N455-D457 PolarHBondContact ND2-OD2 3.03Š|
| 458 | D | 41.7 | Very low | 38.9 | Very low | 155 Ų | 155 | 148.8 Ų | 148.8 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | | | trans | -173.1 | 166.3 | 131.6 | -132.8 | -31.4 | 0 | 0 | 0 | 115.7 | | |
| 459 | I | 41.3 | Very low | 38.9 | Very low | 149 Ų | 149 | 151 Ų | 151 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | | | trans | 78.9 | 120 | 160.2 | -61.6 | 150.4 | 0 | 0 | 0 | 119.1 | | |
| 460 | I | 37.8 | Very low | 38.6 | Very low | 178 Ų | 178 | 153.7 Ų | 153.7 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | | | trans | -130 | 142.7 | 167.7 | -67.6 | 174.1 | 0 | 0 | 0 | 109.4 | | |
| 461 | G | 37.7 | Very low | 38.3 | Very low | 61 Ų | 61 | 152.6 Ų | 152.6 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | | | trans | 129.7 | 161.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 462 | L | 33 | Very low | 38 | Very low | 151 Ų | 151 | 151.6 Ų | 151.6 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | cis | -160.8 | 177.3 | -17.9 | -154.8 | 90.6 | 0 | 0 | 0 | 107.7 | | |
| 463 | D | 37.5 | Very low | 37.5 | Very low | 121 Ų | 121 | 150.9 Ų | 150.9 | 65% | 0.647 | 79% | 0.791 | S | S | * | * | | | trans | 61.8 | 129.2 | 177.4 | -69.5 | -35.5 | 0 | 0 | 0 | 116.7 | | |
| 464 | I | 38.1 | Very low | 37.3 | Very low | 137 Ų | 137 | 150 Ų | 150 | 70% | 0.703 | 79% | 0.789 | S | S | * | * | | | cis | 80.3 | 137.4 | 26 | -44 | 167.5 | 0 | 0 | 0 | 113.5 | | |
| 465 | N | 39.6 | Very low | 37.1 | Very low | 134 Ų | 134 | 149.5 Ų | 149.5 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | | | trans | 82.1 | 90.5 | 175.4 | -48.2 | -66.4 | 0 | 0 | 0 | 118.2 | | |
| 466 | K | 44.7 | Very low | 37.1 | Very low | 220 Ų | 220 | 155.3 Ų | 155.3 | 96% | 0.957 | 80% | 0.797 | S | S | * | * | | | | -162.6 | 164 | 126.3 | -106.7 | 154 | -170.1 | 171.9 | 0 | 112.4 | | |
| 467 | E | 39 | Very low | 36.8 | Very low | 189 Ų | 189 | 150.3 Ų | 150.3 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | -111.3 | 176.5 | -149.4 | -160.6 | 164.7 | -179.8 | 0 | 0 | 113.6 | | |
| 468 | Y | 31.1 | Very low | 37 | Very low | 217 Ų | 217 | 151.5 Ų | 151.5 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | | | trans | -61.4 | 145.9 | -175.9 | -87.6 | -116.2 | 0 | 0 | 0 | 114 | | |
| 469 | D | 38.3 | Very low | 36.6 | Very low | 146 Ų | 146 | 152.6 Ų | 152.6 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | | | | -167.1 | 151 | 109.7 | -117.1 | -23.1 | 0 | 0 | 0 | 113.4 | | |
| 470 | I | 37.2 | Very low | 36.3 | Very low | 160 Ų | 160 | 156.1 Ų | 156.1 | 82% | 0.821 | 78% | 0.784 | S | S | * | * | | | trans | -140.9 | 119.6 | 170.2 | -57.7 | 176.2 | 0 | 0 | 0 | 109.7 | | |
| 471 | P | 36.1 | Very low | 35.9 | Very low | 111 Ų | 111 | 152.4 Ų | 152.4 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | | | trans | -138 | 144.6 | 158.2 | 36.4 | -21.8 | 0 | 0 | 0 | 116.2 | | |
| 472 | S | 35.6 | Very low | 35.9 | Very low | 128 Ų | 128 | 157.6 Ų | 157.6 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | | | trans | 76.9 | 140.3 | 149.3 | -148.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 473 | A | 29 | Very low | 36 | Very low | 92 Ų | 92 | 155.4 Ų | 155.4 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | | | trans | -122.5 | 152.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 474 | M | 34.7 | Very low | 35.9 | Very low | 168 Ų | 168 | 156.5 Ų | 156.5 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | | | trans | -156.2 | 141.8 | 167.3 | -133.7 | -164.6 | -167.2 | 0 | 0 | 114.8 | | |
| 475 | K | 39.7 | Very low | 36 | Very low | 175 Ų | 175 | 159.2 Ų | 159.2 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | | | trans | 74.7 | 114.8 | 169.1 | -55.8 | 169.6 | -173.3 | 173.9 | 0 | 113.9 | | |
| 476 | R | 33.3 | Very low | 35.8 | Very low | 241 Ų | 241 | 161 Ų | 161 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | | | | 72.2 | 131.9 | 71.5 | -86 | -174.8 | 163.9 | 122.3 | -4.7 | 111.9 | | |
| 477 | S | 34.1 | Very low | 35.2 | Very low | 90 Ų | 90 | 160.8 Ų | 160.8 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | | | cis | -170.3 | 165 | 13.6 | 46.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 478 | H | 37.5 | Very low | 35 | Very low | 159 Ų | 159 | 155.7 Ų | 155.7 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | trans | 82.8 | 116.4 | 155.2 | -70.1 | -71.4 | 0 | 0 | 0 | 120.5 | | |
| 479 | Y | 33.1 | Very low | 35.6 | Very low | 178 Ų | 178 | 150.8 Ų | 150.8 | 70% | 0.698 | 77% | 0.766 | S | S | * | * | | | trans | 24.6 | 130.5 | 134.1 | -67.4 | -104.1 | 0 | 0 | 0 | 118.2 | | |
| 480 | W | 34.6 | Very low | 35.4 | Very low | 223 Ų | 223 | 152.5 Ų | 152.5 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | | | cis | -135.1 | -176.3 | 18.5 | -52 | 78 | 0 | 0 | 0 | 109.4 | | |
| 481 | D | 31.3 | Very low | 35.6 | Very low | 100 Ų | 100 | 154.9 Ų | 154.9 | 54% | 0.535 | 77% | 0.771 | S | S | . | * | | | cis | -147.8 | 176 | 7.1 | -178.3 | 47.5 | 0 | 0 | 0 | 110.5 | T483 | D481-T483 WeakPolarHBondContact OD2-CB 3.44Å; D481-T483 PolarHBondContact OD2-N 2.99Å; D481-T483 VanDerWaalsContact OD2-N 3.11Å; D481-T483 PolarHBondContact OD2-OG1 3.14Å |
| 482 | L | 35.6 | Very low | 35.7 | Very low | 170 Ų | 170 | 155.1 Ų | 155.1 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -130 | 68.1 | 170 | -74.5 | 89.2 | 0 | 0 | 0 | 113.1 | | |
| 483 | T | 36.8 | Very low | 35.8 | Very low | 104 Ų | 104 | 159.9 Ų | 159.9 | 64% | 0.638 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -136.5 | -23.9 | 169.6 | 57.8 | 0 | 0 | 0 | 0 | 116.9 | D481 | D481-T483 WeakPolarHBondContact OD2-CB 3.44Å; D481-T483 PolarHBondContact OD2-N 2.99Å; D481-T483 VanDerWaalsContact OD2-N 3.11Å; D481-T483 PolarHBondContact OD2-OG1 3.14Å |
| 484 | N | 34.2 | Very low | 36 | Very low | 145 Ų | 145 | 161.3 Ų | 161.3 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -145 | 73.8 | -167.1 | -74.3 | -86.4 | 0 | 0 | 0 | 113.6 | | |
| 485 | E | 40.8 | Very low | 36.2 | Very low | 194 Ų | 194 | 161.9 Ų | 161.9 | 91% | 0.907 | 77% | 0.773 | S | S | * | * | | | trans | -151.6 | 167.7 | 167.9 | -130.5 | 162.8 | -136.6 | 0 | 0 | 114.7 | | |
| 486 | E | 34.9 | Very low | 36.2 | Very low | 172 Ų | 172 | 160.1 Ų | 160.1 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -55.3 | 121.1 | -154.4 | -58.2 | -177.3 | 105.6 | 0 | 0 | 117.9 | S488 | E486-S488 PolarHBondContact O-N 2.86Š|
| 487 | Y | 33.3 | Very low | 36.6 | Very low | 214 Ų | 214 | 157.3 Ų | 157.3 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | | | trans | -85.4 | 100.1 | 152.3 | -164.1 | -87.7 | 0 | 0 | 0 | 109.4 | P489 | Y487-P489 HydrophobicContact CE1-CB 4.48Å; Y487-P489 VanDerWaalsContact O-CD 3.27Å; Y487-P489 WeakPolarHBondContact O-CD 3.36Å |
| 488 | S | 35.1 | Very low | 37.2 | Very low | 82 Ų | 82 | 159.5 Ų | 159.5 | 57% | 0.573 | 78% | 0.777 | S | S | * | * | | | trans | -101.8 | 101.2 | -175.6 | -164.8 | 0 | 0 | 0 | 0 | 112 | E486 K490 | E486-S488 PolarHBondContact O-N 2.86Å; S488-K490 VanDerWaalsContact C-N 3.31Å; S488-K490 PolarHBondContact O-N 3.41Å |
| 489 | P | 41.8 | Very low | 37.3 | Very low | 114 Ų | 114 | 157.1 Ų | 157.1 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | | | trans | -81.3 | 68.5 | -169.4 | 33.8 | -37.9 | 0 | 0 | 0 | 113.2 | Y487 | Y487-P489 HydrophobicContact CE1-CB 4.48Å; Y487-P489 VanDerWaalsContact O-CD 3.27Å; Y487-P489 WeakPolarHBondContact O-CD 3.36Å |
| 490 | K | 35.6 | Very low | 37.7 | Very low | 183 Ų | 183 | 152.7 Ų | 152.7 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | | | trans | -124.1 | 118 | 163.5 | -73.1 | 179.7 | 179.5 | 172.6 | 0 | 109.3 | S488 | S488-K490 VanDerWaalsContact C-N 3.31Å; S488-K490 PolarHBondContact O-N 3.41Å |
| 491 | K | 40.6 | Very low | 38.2 | Very low | 210 Ų | 210 | 151.3 Ų | 151.3 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 93.9 | 51.8 | -179.9 | -50.9 | 163.3 | -177.7 | 174.5 | 0 | 117.5 | | |
| 492 | S | 37.6 | Very low | 38.7 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -149.8 | 94.9 | 151.9 | -173.3 | 0 | 0 | 0 | 0 | 107.4 | | |
| 493 | R | 37.8 | Very low | 38.8 | Very low | 228 Ų | 228 | 144.8 Ų | 144.8 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | | | | 68.7 | 77.7 | 57.8 | -162.3 | 177 | 179 | 143.3 | 2.4 | 114.1 | | |
| 494 | V | 34.1 | Very low | 38.7 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | | | trans | 49.2 | 97.3 | 140.9 | -171.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 495 | Q | 37.7 | Very low | 38.8 | Very low | 179 Ų | 179 | 146.4 Ų | 146.4 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | | | trans | -162.7 | 151.3 | 137.3 | -114 | 144.7 | 87 | 0 | 0 | 113.2 | | |
| 496 | L | 40.4 | Very low | 38.6 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | | | trans | 59.1 | 64.1 | 159.4 | -56.7 | 177 | 0 | 0 | 0 | 118.1 | L498 | L496-L498 HydrophobicContact CB-CD1 3.88Å; L496-L498 HydrophobicContact CD2-CD1 3.91Å; L496-L498 HydrophobicContact CG-CD1 4.34Å; L496-L498 PolarHBondContact O-N 3.07Å |
| 497 | L | 42.3 | Very low | 38.4 | Very low | 181 Ų | 181 | 140.8 Ų | 140.8 | 95% | 0.948 | 75% | 0.747 | S | S | * | * | | | trans | -70.3 | 77.3 | 149 | -78.2 | 169.3 | 0 | 0 | 0 | 109.9 | | |
| 498 | L | 45.8 | Very low | 38.8 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 71% | 0.712 | 75% | 0.749 | S | S | * | * | | | trans | -73 | 129.3 | 160.9 | -87.4 | 84.8 | 0 | 0 | 0 | 108.6 | L496 S500 | L496-L498 HydrophobicContact CB-CD1 3.88Å; L496-L498 HydrophobicContact CD2-CD1 3.91Å; L496-L498 HydrophobicContact CG-CD1 4.34Å; L496-L498 PolarHBondContact O-N 3.07Å; L498-S500 PolarHBondContact O-N 3.5Å |
| 499 | P | 40.9 | Very low | 38.9 | Very low | 110 Ų | 110 | 142 Ų | 142 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | | | trans | -70.2 | 113.9 | 172.7 | 28.9 | -32.2 | 0 | 0 | 0 | 109.1 | | |
| 500 | S | 41.3 | Very low | 38.4 | Very low | 85 Ų | 85 | 142.4 Ų | 142.4 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | | | trans | -60.5 | 148.8 | 172.9 | 58.4 | 0 | 0 | 0 | 0 | 110.9 | L498 C502 S503 | L498-S500 PolarHBondContact O-N 3.5Å; S500-C502 PolarHBondContact O-N 3.29Å; S500-S503 WeakPolarHBondContact O-CB 3.29Å; S500-S503 PolarHBondContact O-N 3.48Å |
| 501 | E | 43.6 | Very low | 38.5 | Very low | 193 Ų | 193 | 138.9 Ų | 138.9 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 0.5 | -170.7 | -65.9 | 155 | -109.3 | 0 | 0 | 115.4 | | |
| 502 | C | 41.7 | Very low | 38.4 | Very low | 79 Ų | 79 | 140.8 Ų | 140.8 | 53% | 0.534 | 76% | 0.759 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.8 | 6.3 | 176.2 | -40.7 | 0 | 0 | 0 | 0 | 113.2 | Q165 S500 A504 | Q165-C502 PolarHBondContact NE2-SG 3.17Å; Q165-C502 PolarHBondContact OE1-SG 3.29Å; Q165-C502 VanDerWaalsContact OE1-SG 3.34Å; S500-C502 PolarHBondContact O-N 3.29Å; C502-A504 PolarHBondContact O-N 3.02Å |
| 503 | S | 38.3 | Very low | 38.2 | Very low | 55 Ų | 55 | 140 Ų | 140 | 39% | 0.385 | 74% | 0.742 | S | S | . | * | | | trans | -60.9 | 132.9 | 172 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | S500 F505 | S500-S503 WeakPolarHBondContact O-CB 3.29Å; S500-S503 PolarHBondContact O-N 3.48Å; S503-F505 PolarHBondContact O-N 2.71Å |
| 504 | A | 36 | Very low | 38.3 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 80% | 0.802 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -73.9 | 31.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115 | C502 | C502-A504 PolarHBondContact O-N 3.02Š|
| 505 | F | 34.8 | Very low | 38.3 | Very low | 185 Ų | 185 | 134.4 Ų | 134.4 | 81% | 0.811 | 73% | 0.725 | S | S | * | * | | | trans | -131.4 | 34.5 | -172.6 | -69.6 | -77.2 | 0 | 0 | 0 | 113.2 | S503 | S503-F505 PolarHBondContact O-N 2.71Š|
| 506 | L | 36.1 | Very low | 38.4 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 73% | 0.728 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -127.4 | 142.1 | 166.9 | -72.8 | 177.3 | 0 | 0 | 0 | 111.6 | V508 | L506-V508 PolarHBondContact O-N 3.04Š|
| 507 | P | 32.2 | Very low | 38.2 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 71% | 0.714 | 72% | 0.72 | S | S | * | * | | | trans | -81.7 | 110.9 | -174.4 | 31.5 | -33.7 | 0 | 0 | 0 | 111.7 | K509 | P507-K509 PolarHBondContact O-N 2.99Å; P507-K509 VanDerWaalsContact O-N 3.07Å |
| 508 | V | 40.1 | Very low | 37.7 | Very low | 148 Ų | 148 | 134 Ų | 134 | 90% | 0.897 | 71% | 0.711 | S | S | * | * | | | trans | -67.3 | 107.4 | 170.5 | -177.5 | 0 | 0 | 0 | 0 | 109 | L506 | L506-V508 PolarHBondContact O-N 3.04Š|
| 509 | K | 37.6 | Very low | 37.5 | Very low | 174 Ų | 174 | 135.1 Ų | 135.1 | 76% | 0.757 | 72% | 0.716 | S | S | * | * | | | trans | -65.5 | 135.6 | -178.2 | -62.8 | 176.6 | -178.8 | 175.8 | 0 | 110.7 | P507 T511 | P507-K509 PolarHBondContact O-N 2.99Å; P507-K509 VanDerWaalsContact O-N 3.07Å; K509-T511 HydrophobicContact CB-CG2 4.29Å; K509-T511 PolarHBondContact O-N 3.13Å; K509-T511 VanDerWaalsContact O-N 3.13Å |
| 510 | S | 32.8 | Very low | 37 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 85% | 0.853 | 72% | 0.72 | S | S | * | * | | | trans | -80.3 | 87.4 | 171.8 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 511 | T | 35.9 | Very low | 36.7 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | | | trans | -105.6 | 79.4 | 175.5 | 51.8 | 0 | 0 | 0 | 0 | 111.7 | K509 Q513 | K509-T511 HydrophobicContact CB-CG2 4.29Å; K509-T511 PolarHBondContact O-N 3.13Å; K509-T511 VanDerWaalsContact O-N 3.13Å; T511-Q513 VanDerWaalsContact C-N 3.3Å; T511-Q513 PolarHBondContact O-N 3.31Å |
| 512 | R | 38.9 | Very low | 36.3 | Very low | 250 Ų | 250 | 136.3 Ų | 136.3 | 94% | 0.943 | 72% | 0.722 | S | S | * | * | | | trans | -91.5 | 67.9 | 159.3 | -79.3 | -169.3 | 174.5 | -170.1 | -1.5 | 109.9 | | |
| 513 | Q | 33.1 | Very low | 35.9 | Very low | 99 Ų | 99 | 138 Ų | 138 | 46% | 0.463 | 74% | 0.735 | S | S | . | * | | | trans | -133.6 | 106.9 | 165 | -71.8 | -164.9 | -60.7 | 0 | 0 | 108.9 | F175 L176 T511 | F175-Q513 PolarHBondContact O-NE2 3.33Å; F175-Q513 PolarHBondContact O-OE1 3.13Å; L176-Q513 PolarHBondContact O-NE2 2.82Å; T511-Q513 VanDerWaalsContact C-N 3.3Å; T511-Q513 PolarHBondContact O-N 3.31Å |
| 514 | L | 40.4 | Very low | 35.9 | Very low | 126 Ų | 126 | 141 Ų | 141 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | | | trans | -143 | 117.2 | 155.9 | -90.5 | 179.8 | 0 | 0 | 0 | 106.8 | | |
| 515 | D | 33.9 | Very low | 35.9 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 58% | 0.578 | 75% | 0.75 | S | S | * | * | | | trans | -70.2 | 130.8 | 179 | -142.5 | -19.1 | 0 | 0 | 0 | 108.9 | K517 | D515-K517 IonicContact OD1-NZ 3.55Å; D515-K517 IonicContact OD2-NZ 2.82Å; D515-K517 PolarHBondContact OD2-NZ 3.37Å |
| 516 | H | 40.1 | Very low | 35.9 | Very low | 180 Ų | 180 | 138.3 Ų | 138.3 | 83% | 0.833 | 75% | 0.747 | S | S | * | * | | | trans | -123.8 | 53 | 171.8 | -87.3 | 14.5 | 0 | 0 | 0 | 110.5 | | |
| 517 | K | 36.3 | Very low | 36 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | | | trans | -66.3 | 155.3 | 151.1 | -67.3 | 171.6 | -171.6 | 122.6 | 0 | 109.3 | D515 | D515-K517 IonicContact OD1-NZ 3.55Å; D515-K517 IonicContact OD2-NZ 2.82Å; D515-K517 PolarHBondContact OD2-NZ 3.37Å |
| 518 | H | 32.6 | Very low | 36.2 | Very low | 162 Ų | 162 | 150 Ų | 150 | 75% | 0.75 | 78% | 0.779 | S | S | * | * | | | trans | 60.7 | 76.9 | 173.7 | -64.9 | -78.9 | 0 | 0 | 0 | 117.6 | | |
| 519 | I | 40.5 | Very low | 36 | Very low | 161 Ų | 161 | 150.1 Ų | 150.1 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | | | trans | -125.6 | 85.7 | 130.5 | -54.6 | -178 | 0 | 0 | 0 | 108.7 | | |
| 520 | H | 31.5 | Very low | 35.9 | Very low | 172 Ų | 172 | 148.8 Ų | 148.8 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | | | trans | -77.3 | 120.5 | 156.9 | -85.5 | -97.8 | 0 | 0 | 0 | 107.8 | | |
| 521 | C | 34.6 | Very low | 36.1 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 75% | 0.75 | 77% | 0.77 | S | S | * | * | | | trans | -148.7 | 92.1 | 163.4 | -99.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 522 | V | 35.4 | Very low | 36.1 | Very low | 129 Ų | 129 | 152.8 Ų | 152.8 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | | | trans | 40.1 | 106.5 | 137 | -170.7 | 0 | 0 | 0 | 0 | 118.1 | P524 | V522-P524 WeakPolarHBondContact O-CD 3.47Š|
| 523 | S | 31.9 | Very low | 35.9 | Very low | 116 Ų | 116 | 146.8 Ų | 146.8 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | | | trans | -76.2 | 127.2 | 159.9 | -38.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 524 | P | 38.4 | Very low | 36.1 | Very low | 117 Ų | 117 | 149.9 Ų | 149.9 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | | | trans | -80.1 | 158.9 | 164.1 | -13 | 31 | 0 | 0 | 0 | 112 | V522 | V522-P524 WeakPolarHBondContact O-CD 3.47Š|
| 525 | P | 37.2 | Very low | 35.8 | Very low | 113 Ų | 113 | 151.6 Ų | 151.6 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | trans | -111.2 | 176 | -161.3 | 42.2 | -36.8 | 0 | 0 | 0 | 116.5 | | |
| 526 | C | 33.9 | Very low | 35.9 | Very low | 112 Ų | 112 | 155 Ų | 155 | 76% | 0.757 | 81% | 0.812 | S | S | * | * | | | trans | 76 | 123.9 | 160.4 | -57.5 | 0 | 0 | 0 | 0 | 119.1 | | |
| 527 | L | 38.6 | Very low | 35.6 | Very low | 171 Ų | 171 | 152.9 Ų | 152.9 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | | | | 174.1 | 75.1 | 103.7 | -90.3 | 175.1 | 0 | 0 | 0 | 113.7 | | |
| 528 | R | 36.2 | Very low | 35.5 | Very low | 324 Ų | 324 | 153.5 Ų | 153.5 | 100% | 1.223 | 83% | 0.826 | S | S | * | * | | | trans | -167.9 | 0 | 135.7 | -114.2 | 175 | -177.2 | 160.8 | 2.6 | 111.5 | | |