| 1 | M | 31.9 | Very low | 43.2 | Very low | 217 Ų | 217 | 129.7 Ų | 129.7 | 100% | 1.069 | 82% | 0.819 | S | S | * | * | | | | 0 | 114.1 | 0 | -61 | -62.6 | -86.1 | 0 | 0 | 106.9 | | |
| 2 | D | 36.7 | Very low | 42.7 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 72% | 0.717 | 83% | 0.829 | S | S | * | * | | | trans | 57 | 114.9 | 149.4 | -44.7 | -38.1 | 0 | 0 | 0 | 122.4 | | |
| 3 | L | 37.8 | Very low | 42 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | | | trans | 35.6 | 128 | 135.7 | -61.1 | 172.1 | 0 | 0 | 0 | 121.5 | | |
| 4 | P | 61.3 | Low | 41.7 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 84% | 0.844 | 83% | 0.831 | S | S | * | * | | | trans | -116.1 | 160 | 148.5 | 38.1 | -28.4 | 0 | 0 | 0 | 112.4 | | |
| 5 | G | 33.4 | Very low | 41.7 | Very low | 78 Ų | 78 | 142.7 Ų | 142.7 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | | | trans | 155.4 | 51.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 6 | D | 43 | Very low | 41.3 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | | | trans | -65.6 | 168.3 | 146.2 | -99.3 | -40 | 0 | 0 | 0 | 109.9 | | |
| 7 | P | 51.1 | Low | 41.1 | Very low | 122 Ų | 122 | 148 Ų | 148 | 79% | 0.792 | 84% | 0.843 | S | S | * | * | | | cis | -146.4 | -162.5 | 31.7 | 40.9 | -17.7 | 0 | 0 | 0 | 116.6 | | |
| 8 | S | 37.1 | Very low | 40.9 | Very low | 108 Ų | 108 | 150 Ų | 150 | 76% | 0.755 | 84% | 0.844 | S | S | * | * | | | trans | -99.7 | -148.9 | -170.6 | -54.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 9 | P | 63.8 | Low | 41.1 | Very low | 115 Ų | 115 | 148.6 Ų | 148.6 | 75% | 0.747 | 84% | 0.842 | S | S | * | * | | | | -128.6 | -174.9 | -121.9 | 38.7 | -16.2 | 0 | 0 | 0 | 116.1 | | |
| 10 | P | 47.1 | Very low | 40.9 | Very low | 136 Ų | 136 | 149.3 Ų | 149.3 | 88% | 0.883 | 84% | 0.842 | S | S | * | * | | | | -145.9 | 173.4 | 128.6 | 35.9 | -19.7 | 0 | 0 | 0 | 113 | | |
| 11 | G | 31.9 | Very low | 40.8 | Very low | 69 Ų | 69 | 148.2 Ų | 148.2 | 71% | 0.711 | 84% | 0.839 | S | S | * | * | | | cis | 159 | 130.9 | -5.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 12 | Q | 36.9 | Very low | 41 | Very low | 201 Ų | 201 | 149.9 Ų | 149.9 | 94% | 0.939 | 83% | 0.833 | S | S | * | * | | | trans | 62.5 | 154.4 | 169.1 | -71.2 | -178.3 | -2.1 | 0 | 0 | 118.6 | | |
| 13 | A | 34.1 | Very low | 41 | Very low | 95 Ų | 95 | 147.1 Ų | 147.1 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | | | cis | -153.8 | 164 | -15.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 14 | R | 38 | Very low | 41 | Very low | 241 Ų | 241 | 147.5 Ų | 147.5 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | | | trans | -82 | 156.1 | 173.5 | -62 | 179.9 | 173.4 | -158.9 | -1.3 | 111.3 | | |
| 15 | L | 40.6 | Very low | 39.9 | Very low | 177 Ų | 177 | 152.9 Ų | 152.9 | 93% | 0.927 | 84% | 0.835 | S | S | * | * | | | | -170.2 | 149.6 | 129.6 | -101.3 | 173.9 | 0 | 0 | 0 | 111.8 | | |
| 16 | C | 36 | Very low | 40.1 | Very low | 118 Ų | 118 | 152.8 Ų | 152.8 | 80% | 0.797 | 83% | 0.834 | S | S | * | * | | | trans | -93.8 | 150.5 | -170.9 | -47.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 17 | R | 37.2 | Very low | 39.8 | Very low | 257 Ų | 257 | 150 Ų | 150 | 97% | 0.97 | 83% | 0.832 | S | S | * | * | | | trans | -159.1 | 161.7 | 136.7 | -86 | -135.8 | 173.8 | 178.9 | -1.4 | 112.6 | | |
| 18 | Q | 38.5 | Very low | 38.9 | Very low | 184 Ų | 184 | 155.9 Ų | 155.9 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | | | trans | -81.8 | 170.8 | -161.6 | -98.5 | -176.9 | -11.4 | 0 | 0 | 115.9 | | |
| 19 | P | 43.5 | Very low | 38.9 | Very low | 124 Ų | 124 | 156 Ų | 156 | 81% | 0.805 | 84% | 0.84 | S | S | * | * | | | trans | -81.2 | 148.8 | -166.7 | 33 | -36.7 | 0 | 0 | 0 | 114.2 | | |
| 20 | L | 38.7 | Very low | 37.9 | Very low | 161 Ų | 161 | 156.4 Ų | 156.4 | 84% | 0.843 | 84% | 0.842 | S | S | * | * | | | trans | -116.7 | 121.9 | 177.3 | -88 | 162.4 | 0 | 0 | 0 | 113.1 | | |
| 21 | T | 37.6 | Very low | 37.5 | Very low | 127 Ų | 127 | 159.8 Ų | 159.8 | 78% | 0.779 | 84% | 0.843 | S | S | * | * | | | trans | 8 | 123.6 | 151.2 | 43.7 | 0 | 0 | 0 | 0 | 119.9 | A23 | T21-A23 PolarHBondContact O-N 3.15Š|
| 22 | R | 36.6 | Very low | 37.9 | Very low | 252 Ų | 252 | 167.9 Ų | 167.9 | 95% | 0.951 | 85% | 0.852 | S | S | * | * | | | trans | -72.8 | 106 | 171.2 | -172 | -175.1 | -163.9 | -169.8 | 6.6 | 112 | | |
| 23 | A | 37.2 | Very low | 38.2 | Very low | 77 Ų | 77 | 163.6 Ų | 163.6 | 64% | 0.636 | 84% | 0.842 | S | S | * | * | | | trans | -81.9 | 150.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T21 | T21-A23 PolarHBondContact O-N 3.15Š|
| 24 | L | 36.9 | Very low | 38.5 | Very low | 172 Ų | 172 | 170.5 Ų | 170.5 | 90% | 0.901 | 85% | 0.847 | S | S | * | * | | | trans | -73.8 | 136.4 | 178.1 | -72.4 | 83.9 | 0 | 0 | 0 | 111.7 | | |
| 25 | W | 38.9 | Very low | 38.9 | Very low | 243 Ų | 243 | 166.3 Ų | 166.3 | 92% | 0.92 | 84% | 0.842 | S | S | * | * | | | trans | -116.6 | 101.8 | 164.8 | -80.4 | 94.6 | 0 | 0 | 0 | 111.1 | | |
| 26 | G | 36.4 | Very low | 39.4 | Very low | 77 Ų | 77 | 164.3 Ų | 164.3 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | | | trans | -92.5 | 110.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 27 | A | 38.2 | Very low | 40 | Very low | 93 Ų | 93 | 163.3 Ų | 163.3 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | | | trans | -103 | 102.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 28 | R | 32.1 | Very low | 40.4 | Very low | 246 Ų | 246 | 157.7 Ų | 157.7 | 93% | 0.928 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -78 | 117.8 | 163.8 | -73.7 | -180 | 169.2 | -156.2 | -2.6 | 109 | | |
| 29 | S | 37.6 | Very low | 41.2 | Very low | 112 Ų | 112 | 152.8 Ų | 152.8 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 128.5 | 171.6 | -52.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 30 | P | 42.3 | Very low | 41.7 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 123.1 | 177.7 | 30.1 | -32.7 | 0 | 0 | 0 | 111.4 | R32 | P30-R32 PolarHBondContact O-N 3Š|
| 31 | K | 39 | Very low | 42.8 | Very low | 207 Ų | 207 | 143.5 Ų | 143.5 | 90% | 0.9 | 77% | 0.769 | S | S | * | * | | | trans | -71.2 | 115.3 | 168.8 | -71.3 | 177.6 | 178 | 175.4 | 0 | 109.2 | P33 | K31-P33 WeakPolarHBondContact O-CD 3.37Š|
| 32 | R | 39.8 | Very low | 44.5 | Very low | 239 Ų | 239 | 139.1 Ų | 139.1 | 90% | 0.902 | 74% | 0.744 | S | S | * | * | | | trans | -66.8 | 123.3 | 165.6 | -69.5 | -175.3 | 179.2 | -172.1 | -0.4 | 109.3 | P30 R34 | P30-R32 PolarHBondContact O-N 3Å; R32-R34 PolarHBondContact O-N 3.23Å |
| 33 | P | 42.3 | Very low | 46 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | | | trans | -71.3 | 120.1 | 163.7 | 29.5 | -30.5 | 0 | 0 | 0 | 108.1 | K31 L35 | K31-P33 WeakPolarHBondContact O-CD 3.37Å; P33-L35 VanDerWaalsContact C-N 3.33Å; P33-L35 PolarHBondContact O-N 3.16Å |
| 34 | R | 41.6 | Very low | 47.5 | Very low | 240 Ų | 240 | 135.2 Ų | 135.2 | 91% | 0.906 | 74% | 0.736 | S | S | * | * | | | trans | -76.4 | 90.5 | 173 | -167.9 | -179.3 | -166.4 | -178.1 | 5 | 108 | R32 Q36 | R32-R34 PolarHBondContact O-N 3.23Å; R34-Q36 PolarHBondContact O-N 2.86Å |
| 35 | L | 46.6 | Very low | 49.2 | Very low | 154 Ų | 154 | 131 Ų | 131 | 81% | 0.806 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 122.8 | 169.5 | -64.4 | 171 | 0 | 0 | 0 | 108.3 | P33 | P33-L35 VanDerWaalsContact C-N 3.33Å; P33-L35 PolarHBondContact O-N 3.16Å |
| 36 | Q | 49.9 | Very low | 50.7 | Low | 135 Ų | 135 | 124.9 Ų | 124.9 | 63% | 0.631 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 143.2 | 167.7 | -65.6 | -152.6 | 23.2 | 0 | 0 | 108.7 | R34 | R34-Q36 PolarHBondContact O-N 2.86Š|
| 37 | P | 48.3 | Very low | 52.2 | Low | 97 Ų | 97 | 123.6 Ų | 123.6 | 63% | 0.63 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 138 | 169.5 | -19.9 | 32.1 | 0 | 0 | 0 | 110.2 | G39 | P37-G39 PolarHBondContact O-N 3.08Š|
| 38 | P | 46.1 | Very low | 53.7 | Low | 139 Ų | 139 | 121.8 Ų | 121.8 | 90% | 0.903 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 129.5 | 173.8 | 26.7 | -33.1 | 0 | 0 | 0 | 109.6 | | |
| 39 | G | 55.5 | Low | 55.6 | Low | 80 Ų | 80 | 117.6 Ų | 117.6 | 83% | 0.825 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 107.8 | -6.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | P37 P41 | P37-G39 PolarHBondContact O-N 3.08Å; G39-P41 VanDerWaalsContact O-CD 3.3Å; G39-P41 WeakPolarHBondContact O-CD 3.45Å |
| 40 | A | 53.2 | Low | 57 | Low | 52 Ų | 52 | 121.6 Ų | 121.6 | 43% | 0.43 | 64% | 0.638 | S | S | . | * | | | trans | -82.4 | 113.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S42 | A40-S42 PolarHBondContact O-N 3.43Š|
| 41 | P | 62 | Low | 58.3 | Low | 38 Ų | 38 | 120.2 Ų | 120.2 | 25% | 0.247 | 63% | 0.627 | C | S | . | * | | | trans | -65.2 | 137.8 | 177 | 24.5 | -31.3 | 0 | 0 | 0 | 110.1 | G39 E45 K46 | G39-P41 VanDerWaalsContact O-CD 3.3Å; G39-P41 WeakPolarHBondContact O-CD 3.45Å; P41-E45 HydrophobicContact CB-CB 4Å; P41-K46 HydrophobicContact CB-CG 4.35Å; P41-K46 HydrophobicContact CG-CG 4.07Å; P41-K46 VanDerWaalsContact O-CE 3.3Å; P41-K46 WeakPolarHBondContact O-CE 3.47Å |
| 42 | S | 73.9 | Confident | 59.7 | Low | 36 Ų | 36 | 115.5 Ų | 115.5 | 25% | 0.252 | 61% | 0.611 | S | S | . | * | | | trans | -58.6 | 159.5 | -178.9 | 66.8 | 0 | 0 | 0 | 0 | 111.6 | A40 L44 E45 K46 | A40-S42 PolarHBondContact O-N 3.43Å; S42-L44 PolarHBondContact O-N 3Å; S42-L44 VanDerWaalsContact O-N 3.13Å; S42-E45 WeakPolarHBondContact CB-OE2 3.47Å; S42-E45 PolarHBondContact N-OE2 3.26Å; S42-E45 PolarHBondContact O-N 3.19Å; S42-E45 VanDerWaalsContact O-N 3.08Å; S42-E45 WeakPolarHBondContact OG-CG 3.5Å; S42-E45 PolarHBondContact OG-N 3.15Å; S42-E45 PolarHBondContact OG-OE2 2.96Å; S42-K46 PolarHBondContact O-N 3.42Å |
| 43 | P | 68.8 | Low | 60.9 | Low | 105 Ų | 105 | 106.5 Ų | 106.5 | 68% | 0.682 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -55.4 | -31 | 175.3 | -26.4 | 35.7 | 0 | 0 | 0 | 113.2 | A47 | P43-A47 PolarHBondContact O-N 3.2Å; P43-A47 VanDerWaalsContact O-N 3.09Å |
| 44 | L | 69.1 | Low | 62.2 | Low | 142 Ų | 142 | 104.9 Ų | 104.9 | 74% | 0.743 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.3 | -44.8 | 176.1 | -169.3 | 70.6 | 0 | 0 | 0 | 111.7 | S42 K46 A47 S48 | S42-L44 PolarHBondContact O-N 3Å; S42-L44 VanDerWaalsContact O-N 3.13Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-K46 PolarHBondContact O-N 2.9Å; L44-A47 WeakPolarHBondContact O-CB 3.47Å; L44-A47 PolarHBondContact O-N 3.33Å; L44-A47 VanDerWaalsContact O-N 3.17Å; L44-S48 PolarHBondContact O-N 3.19Å; L44-S48 PolarHBondContact O-OG 3.46Å |
| 45 | E | 71.3 | Confident | 63.7 | Low | 83 Ų | 83 | 96.8 Ų | 96.8 | 39% | 0.388 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.4 | -31.7 | 175.2 | -70.1 | 162.7 | 106.3 | 0 | 0 | 112.6 | P41 S42 A47 S48 R49 | P41-E45 HydrophobicContact CB-CB 4Å; S42-E45 WeakPolarHBondContact CB-OE2 3.47Å; S42-E45 PolarHBondContact N-OE2 3.26Å; S42-E45 PolarHBondContact O-N 3.19Å; S42-E45 VanDerWaalsContact O-N 3.08Å; S42-E45 WeakPolarHBondContact OG-CG 3.5Å; S42-E45 PolarHBondContact OG-N 3.15Å; S42-E45 PolarHBondContact OG-OE2 2.96Å; E45-A47 VanDerWaalsContact C-N 3.33Å; E45-S48 WeakPolarHBondContact CA-OG 3.44Å; E45-S48 PolarHBondContact O-OG 3.28Å; E45-R49 VanDerWaalsContact O-CB 3.28Å; E45-R49 WeakPolarHBondContact O-CB 3.46Å; E45-R49 WeakPolarHBondContact O-CG 3.29Å; E45-R49 PolarHBondContact O-N 3.44Å |
| 46 | K | 71.8 | Confident | 65 | Low | 114 Ų | 114 | 94.6 Ų | 94.6 | 50% | 0.496 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68 | -33.8 | 171.7 | -71.9 | -177.9 | 178.6 | -179.4 | 0 | 112 | P41 S42 L44 R50 | P41-K46 HydrophobicContact CB-CG 4.35Å; P41-K46 HydrophobicContact CG-CG 4.07Å; P41-K46 VanDerWaalsContact O-CE 3.3Å; P41-K46 WeakPolarHBondContact O-CE 3.47Å; S42-K46 PolarHBondContact O-N 3.42Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-K46 PolarHBondContact O-N 2.9Å; K46-R50 VanDerWaalsContact O-CG 3.3Å; K46-R50 WeakPolarHBondContact O-CG 3.44Å; K46-R50 PolarHBondContact O-N 2.99Å |
| 47 | A | 66.4 | Low | 65.8 | Low | 50 Ų | 50 | 94.8 Ų | 94.8 | 41% | 0.413 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71.6 | -47.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P43 L44 E45 R49 R50 V51 | P43-A47 PolarHBondContact O-N 3.2Å; P43-A47 VanDerWaalsContact O-N 3.09Å; L44-A47 WeakPolarHBondContact O-CB 3.47Å; L44-A47 PolarHBondContact O-N 3.33Å; L44-A47 VanDerWaalsContact O-N 3.17Å; E45-A47 VanDerWaalsContact C-N 3.33Å; A47-R49 PolarHBondContact O-N 3.31Å; A47-R50 PolarHBondContact O-N 3.16Å; A47-R50 VanDerWaalsContact O-N 3.15Å; A47-V51 PolarHBondContact O-N 3.4Å |
| 48 | S | 69.8 | Low | 66.6 | Low | 56 Ų | 56 | 94.8 Ų | 94.8 | 39% | 0.392 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 179.5 | 66.5 | 0 | 0 | 0 | 0 | 112.5 | L44 E45 R50 V51 L52 | L44-S48 PolarHBondContact O-N 3.19Å; L44-S48 PolarHBondContact O-OG 3.46Å; E45-S48 WeakPolarHBondContact CA-OG 3.44Å; E45-S48 PolarHBondContact O-OG 3.28Å; S48-R50 VanDerWaalsContact C-N 3.28Å; S48-R50 PolarHBondContact O-N 2.93Å; S48-V51 PolarHBondContact O-N 2.96Å; S48-L52 WeakPolarHBondContact O-CB 3.27Å; S48-L52 WeakPolarHBondContact O-CG 3.39Å; S48-L52 PolarHBondContact O-N 3.34Å |
| 49 | R | 71.3 | Confident | 67.7 | Low | 158 Ų | 158 | 92.7 Ų | 92.7 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.2 | -31.9 | 174.2 | -72.3 | 175.1 | -170.5 | -153.2 | 4.3 | 113.1 | E45 A47 A53 | E45-R49 VanDerWaalsContact O-CB 3.28Å; E45-R49 WeakPolarHBondContact O-CB 3.46Å; E45-R49 WeakPolarHBondContact O-CG 3.29Å; E45-R49 PolarHBondContact O-N 3.44Å; A47-R49 PolarHBondContact O-N 3.31Å; R49-A53 VanDerWaalsContact O-CB 3.3Å; R49-A53 WeakPolarHBondContact O-CB 3.28Å; R49-A53 PolarHBondContact O-N 2.91Å |
| 50 | R | 67.1 | Low | 68 | Low | 195 Ų | 195 | 94 Ų | 94 | 74% | 0.736 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -72.2 | -43.1 | 174.2 | -75.9 | 174.1 | 176.7 | -147.2 | -4.3 | 112.1 | K46 A47 S48 A53 V54 | K46-R50 VanDerWaalsContact O-CG 3.3Å; K46-R50 WeakPolarHBondContact O-CG 3.44Å; K46-R50 PolarHBondContact O-N 2.99Å; A47-R50 PolarHBondContact O-N 3.16Å; A47-R50 VanDerWaalsContact O-N 3.15Å; S48-R50 VanDerWaalsContact C-N 3.28Å; S48-R50 PolarHBondContact O-N 2.93Å; R50-A53 PolarHBondContact O-N 3.21Å; R50-V54 WeakPolarHBondContact O-CG2 3.33Å; R50-V54 PolarHBondContact O-N 2.95Å |
| 51 | V | 69.9 | Low | 68.2 | Low | 94 Ų | 94 | 94.8 Ų | 94.8 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.9 | -44.8 | 176 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | A47 S48 A53 V54 V55 | A47-V51 PolarHBondContact O-N 3.4Å; S48-V51 PolarHBondContact O-N 2.96Å; V51-A53 VanDerWaalsContact C-N 3.34Å; V51-A53 PolarHBondContact O-N 3.05Å; V51-V54 PolarHBondContact O-N 3.47Å; V51-V55 VanDerWaalsContact O-CG2 3.32Å; V51-V55 WeakPolarHBondContact O-CG2 3.28Å; V51-V55 PolarHBondContact O-N 2.85Å |
| 52 | L | 68.3 | Low | 68.1 | Low | 107 Ų | 107 | 98.9 Ų | 98.9 | 56% | 0.56 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.9 | -37.3 | 176.4 | -70.4 | 170.7 | 0 | 0 | 0 | 112.6 | S48 L56 | S48-L52 WeakPolarHBondContact O-CB 3.27Å; S48-L52 WeakPolarHBondContact O-CG 3.39Å; S48-L52 PolarHBondContact O-N 3.34Å; L52-L56 WeakPolarHBondContact O-CB 3.44Å; L52-L56 PolarHBondContact O-N 2.99Å |
| 53 | A | 65.1 | Low | 67.2 | Low | 51 Ų | 51 | 104.1 Ų | 104.1 | 42% | 0.421 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.6 | -48.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R49 R50 V51 V55 L56 E57 | R49-A53 VanDerWaalsContact O-CB 3.3Å; R49-A53 WeakPolarHBondContact O-CB 3.28Å; R49-A53 PolarHBondContact O-N 2.91Å; R50-A53 PolarHBondContact O-N 3.21Å; V51-A53 VanDerWaalsContact C-N 3.34Å; V51-A53 PolarHBondContact O-N 3.05Å; A53-V55 PolarHBondContact O-N 3.13Å; A53-L56 PolarHBondContact O-N 3.26Å; A53-E57 WeakPolarHBondContact O-CB 3.34Å; A53-E57 PolarHBondContact O-N 3Å |
| 54 | V | 69.7 | Low | 66.5 | Low | 77 Ų | 77 | 105.9 Ų | 105.9 | 47% | 0.467 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.1 | -43.9 | 177.4 | 174 | 0 | 0 | 0 | 0 | 111.1 | R50 V51 L56 E57 D58 | R50-V54 WeakPolarHBondContact O-CG2 3.33Å; R50-V54 PolarHBondContact O-N 2.95Å; V51-V54 PolarHBondContact O-N 3.47Å; V54-L56 VanDerWaalsContact C-N 3.34Å; V54-L56 PolarHBondContact O-N 2.78Å; V54-E57 PolarHBondContact O-N 2.95Å; V54-D58 PolarHBondContact O-N 3.41Å |
| 55 | V | 73.6 | Confident | 65.4 | Low | 70 Ų | 70 | 101.4 Ų | 101.4 | 42% | 0.424 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 177.4 | 170.6 | 0 | 0 | 0 | 0 | 112.1 | V51 A53 I59 | V51-V55 VanDerWaalsContact O-CG2 3.32Å; V51-V55 WeakPolarHBondContact O-CG2 3.28Å; V51-V55 PolarHBondContact O-N 2.85Å; A53-V55 PolarHBondContact O-N 3.13Å; V55-I59 HydrophobicContact CG1-CD1 3.74Å; V55-I59 WeakPolarHBondContact O-CB 3.48Å; V55-I59 WeakPolarHBondContact O-CD1 3.26Å; V55-I59 WeakPolarHBondContact O-CG1 3.28Å; V55-I59 PolarHBondContact O-N 3.23Å |
| 56 | L | 73.3 | Confident | 64.1 | Low | 107 Ų | 107 | 103.7 Ų | 103.7 | 56% | 0.56 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.4 | -38.9 | 174.3 | -88.6 | 156 | 0 | 0 | 0 | 112.3 | L52 A53 V54 I59 M60 | L52-L56 WeakPolarHBondContact O-CB 3.44Å; L52-L56 PolarHBondContact O-N 2.99Å; A53-L56 PolarHBondContact O-N 3.26Å; V54-L56 VanDerWaalsContact C-N 3.34Å; V54-L56 PolarHBondContact O-N 2.78Å; L56-I59 PolarHBondContact O-N 3.49Å; L56-M60 WeakPolarHBondContact O-CB 3.48Å; L56-M60 WeakPolarHBondContact O-CG 3.03Å; L56-M60 PolarHBondContact O-N 2.63Å |
| 57 | E | 66.9 | Low | 62.6 | Low | 140 Ų | 140 | 104.9 Ų | 104.9 | 65% | 0.654 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.3 | -42.5 | 178 | -162.8 | 161.8 | -153 | 0 | 0 | 111.1 | A53 V54 M60 A61 | A53-E57 WeakPolarHBondContact O-CB 3.34Å; A53-E57 PolarHBondContact O-N 3Å; V54-E57 PolarHBondContact O-N 2.95Å; E57-M60 PolarHBondContact O-N 2.89Å; E57-A61 VanDerWaalsContact O-CB 3.32Å; E57-A61 WeakPolarHBondContact O-CB 3.47Å; E57-A61 PolarHBondContact O-N 3.3Å |
| 58 | D | 65.9 | Low | 61.2 | Low | 97 Ų | 97 | 108.2 Ų | 108.2 | 52% | 0.519 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.9 | -44.6 | 172.5 | -72 | -25.7 | 0 | 0 | 0 | 112.1 | V54 M60 A61 V62 | V54-D58 PolarHBondContact O-N 3.41Å; D58-M60 VanDerWaalsContact C-N 3.3Å; D58-M60 PolarHBondContact O-N 3.42Å; D58-A61 PolarHBondContact O-N 3.03Å; D58-V62 WeakPolarHBondContact O-CB 3.27Å; D58-V62 VanDerWaalsContact O-CG2 3.29Å; D58-V62 WeakPolarHBondContact O-CG2 3.29Å; D58-V62 PolarHBondContact O-N 3.34Å |
| 59 | I | 68.8 | Low | 59.7 | Low | 94 Ų | 94 | 111.3 Ų | 111.3 | 48% | 0.482 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.4 | -36.6 | 177.7 | -71.8 | 166.2 | 0 | 0 | 0 | 111.5 | V55 L56 H63 | V55-I59 HydrophobicContact CG1-CD1 3.74Å; V55-I59 WeakPolarHBondContact O-CB 3.48Å; V55-I59 WeakPolarHBondContact O-CD1 3.26Å; V55-I59 WeakPolarHBondContact O-CG1 3.28Å; V55-I59 PolarHBondContact O-N 3.23Å; L56-I59 PolarHBondContact O-N 3.49Å; I59-H63 PolarHBondContact O-N 3.4Å; I59-H63 PolarHBondContact O-ND1 3.12Å |
| 60 | M | 62.3 | Low | 57.7 | Low | 108 Ų | 108 | 109.4 Ų | 109.4 | 53% | 0.532 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -73.8 | -37.5 | 175 | -75 | -136.6 | 65 | 0 | 0 | 112.7 | L56 E57 D58 V62 H63 M64 | L56-M60 WeakPolarHBondContact O-CB 3.48Å; L56-M60 WeakPolarHBondContact O-CG 3.03Å; L56-M60 PolarHBondContact O-N 2.63Å; E57-M60 PolarHBondContact O-N 2.89Å; D58-M60 VanDerWaalsContact C-N 3.3Å; D58-M60 PolarHBondContact O-N 3.42Å; M60-V62 VanDerWaalsContact C-N 3.34Å; M60-H63 PolarHBondContact O-N 3.15Å; M60-M64 HydrophobicContact CE-CE 4.19Å; M60-M64 WeakPolarHBondContact O-CG 3.4Å; M60-M64 PolarHBondContact O-N 3.06Å |
| 61 | A | 57.9 | Low | 56.1 | Low | 69 Ų | 69 | 109.4 Ų | 109.4 | 57% | 0.57 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64 | -38.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | E57 D58 H63 M64 | E57-A61 VanDerWaalsContact O-CB 3.32Å; E57-A61 WeakPolarHBondContact O-CB 3.47Å; E57-A61 PolarHBondContact O-N 3.3Å; D58-A61 PolarHBondContact O-N 3.03Å; A61-H63 VanDerWaalsContact C-N 3.32Å; A61-H63 PolarHBondContact O-N 3.44Å; A61-M64 PolarHBondContact O-N 3.41Å |
| 62 | V | 58.8 | Low | 54.5 | Low | 124 Ų | 124 | 113.7 Ų | 113.7 | 75% | 0.752 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.6 | -29.4 | 176 | 169.6 | 0 | 0 | 0 | 0 | 112.7 | D58 M60 | D58-V62 WeakPolarHBondContact O-CB 3.27Å; D58-V62 VanDerWaalsContact O-CG2 3.29Å; D58-V62 WeakPolarHBondContact O-CG2 3.29Å; D58-V62 PolarHBondContact O-N 3.34Å; M60-V62 VanDerWaalsContact C-N 3.34Å |
| 63 | H | 54.6 | Low | 52.7 | Low | 146 Ų | 146 | 115 Ų | 115 | 68% | 0.676 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -87.6 | -8.8 | 177.7 | -86.8 | 90.1 | 0 | 0 | 0 | 115 | I59 M60 A61 | I59-H63 PolarHBondContact O-N 3.4Å; I59-H63 PolarHBondContact O-ND1 3.12Å; M60-H63 PolarHBondContact O-N 3.15Å; A61-H63 VanDerWaalsContact C-N 3.32Å; A61-H63 PolarHBondContact O-N 3.44Å |
| 64 | M | 55.7 | Low | 51.1 | Low | 141 Ų | 141 | 117.2 Ų | 117.2 | 70% | 0.695 | 67% | 0.67 | S | S | * | * | | | trans | -110.6 | 58.9 | -177.1 | -66.7 | -66.2 | 167.4 | 0 | 0 | 112 | M60 A61 | M60-M64 HydrophobicContact CE-CE 4.19Å; M60-M64 WeakPolarHBondContact O-CG 3.4Å; M60-M64 PolarHBondContact O-N 3.06Å; A61-M64 PolarHBondContact O-N 3.41Å |
| 65 | G | 45.7 | Very low | 49.1 | Very low | 49 Ų | 49 | 121 Ų | 121 | 51% | 0.505 | 69% | 0.686 | S | S | . | * | | | trans | -71.2 | 161.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V67 | G65-V67 PolarHBondContact O-N 2.98Å; G65-V67 VanDerWaalsContact O-N 3.13Å |
| 66 | P | 42.3 | Very low | 47.5 | Very low | 131 Ų | 131 | 122.8 Ų | 122.8 | 85% | 0.851 | 70% | 0.7 | S | S | * | * | | | trans | -69.8 | 112 | -168.6 | -16.6 | 30.4 | 0 | 0 | 0 | 113 | V68 | P66-V68 PolarHBondContact O-N 3.21Š|
| 67 | V | 41 | Very low | 45.4 | Very low | 138 Ų | 138 | 125.3 Ų | 125.3 | 84% | 0.836 | 71% | 0.708 | S | S | * | * | | | trans | -76.1 | 106.2 | 164.8 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | G65 | G65-V67 PolarHBondContact O-N 2.98Å; G65-V67 VanDerWaalsContact O-N 3.13Å |
| 68 | V | 37.8 | Very low | 43.5 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | | | trans | -72.9 | 128.3 | 169 | 177 | 0 | 0 | 0 | 0 | 108.6 | P66 S70 | P66-V68 PolarHBondContact O-N 3.21Å; V68-S70 PolarHBondContact O-N 3.47Å; V68-S70 VanDerWaalsContact O-N 3.08Å |
| 69 | P | 37.4 | Very low | 41.7 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | | | trans | -75.8 | 99.4 | 177.6 | 30 | -32.9 | 0 | 0 | 0 | 110.2 | | |
| 70 | S | 30.1 | Very low | 39.8 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 130.6 | 168.2 | -170.7 | 0 | 0 | 0 | 0 | 110.2 | V68 | V68-S70 PolarHBondContact O-N 3.47Å; V68-S70 VanDerWaalsContact O-N 3.08Å |
| 71 | K | 33.1 | Very low | 38.3 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 147.4 | -176 | -164.1 | 173.8 | -179.1 | -178.6 | 0 | 111.5 | | |
| 72 | E | 35.7 | Very low | 37.1 | Very low | 185 Ų | 185 | 138 Ų | 138 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 144.2 | -176.8 | -64.9 | 161.4 | 113 | 0 | 0 | 113.8 | | |
| 73 | T | 31.1 | Very low | 35.7 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | | | trans | -151.7 | 106.3 | 154.9 | -46.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 74 | S | 31.1 | Very low | 35.5 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | | | trans | 18.6 | 116.7 | 159.8 | 57.5 | 0 | 0 | 0 | 0 | 123.1 | | |
| 75 | I | 28.7 | Very low | 34.3 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 80% | 0.795 | 76% | 0.758 | S | S | * | * | | | | 26.5 | 141.5 | 109.7 | -57.9 | 176 | 0 | 0 | 0 | 117.4 | | |
| 76 | P | 39.4 | Very low | 33.5 | Very low | 109 Ų | 109 | 142.2 Ų | 142.2 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | | | cis | -124 | 150 | 21.5 | 9.8 | 17.2 | 0 | 0 | 0 | 116.1 | | |
| 77 | Q | 28.5 | Very low | 33 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | | | | 69.8 | 102.6 | 77.6 | -158.9 | -170.1 | 13.4 | 0 | 0 | 115 | | |
| 78 | H | 28.3 | Very low | 32.5 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | | | | 179.4 | 118.9 | 128.6 | -109.1 | -114.1 | 0 | 0 | 0 | 115.2 | | |
| 79 | H | 27.2 | Very low | 33.3 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | | | trans | 48.7 | 153.3 | 141.1 | -58.9 | -18.9 | 0 | 0 | 0 | 126.8 | | |
| 80 | S | 29.3 | Very low | 33.8 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | trans | 79.9 | 105.6 | 159.9 | -150.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 81 | R | 31.1 | Very low | 33.8 | Very low | 206 Ų | 206 | 143.5 Ų | 143.5 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | | | cis | 83.4 | 125.7 | 48.8 | -158.4 | -150.5 | -166 | -146 | 7.7 | 112.6 | | |
| 82 | Q | 33 | Very low | 33.7 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | 92.1 | 98.2 | 163.9 | -49.1 | -160.8 | -77.4 | 0 | 0 | 119.7 | | |
| 83 | D | 29 | Very low | 34.5 | Very low | 155 Ų | 155 | 136 Ų | 136 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | | | | -60.9 | 173.5 | 128.9 | -86.2 | -36.1 | 0 | 0 | 0 | 111.3 | | |
| 84 | P | 49.3 | Very low | 35.4 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | | | cis | -138.9 | -163.7 | -4.9 | 20.8 | 6.9 | 0 | 0 | 0 | 114.7 | | |
| 85 | V | 31.6 | Very low | 35.4 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 71% | 0.709 | 75% | 0.751 | S | S | * | * | | | trans | 108 | 101.9 | 143 | -171.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 86 | H | 29.4 | Very low | 35.5 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | | | trans | 94.5 | 151.5 | 131.5 | -98.6 | -9.2 | 0 | 0 | 0 | 126.7 | | |
| 87 | M | 30.3 | Very low | 35 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 78% | 0.778 | 75% | 0.751 | S | S | * | * | | | trans | 85 | 127 | 160 | -67.7 | -59.1 | 129.2 | 0 | 0 | 121.6 | | |
| 88 | Q | 31.3 | Very low | 34.9 | Very low | 177 Ų | 177 | 134.6 Ų | 134.6 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | | | trans | -105.6 | 178.4 | 167 | -113.5 | -171 | -25.1 | 0 | 0 | 107.9 | | |
| 89 | P | 53.4 | Low | 34.9 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | | | cis | -119.1 | -126.1 | -25.7 | 28.8 | -4.6 | 0 | 0 | 0 | 106.6 | | |
| 90 | P | 49.4 | Very low | 35 | Very low | 111 Ų | 111 | 137 Ų | 137 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | | | cis | -131.6 | -175.9 | -30.1 | 40.7 | -23.5 | 0 | 0 | 0 | 115.5 | | |
| 91 | A | 29.2 | Very low | 35.1 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | | | trans | 75.7 | 140.1 | 152.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 92 | S | 30.9 | Very low | 35.1 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | -132.7 | -177.7 | 174.2 | 65.7 | 0 | 0 | 0 | 0 | 107.4 | | |
| 93 | P | 52.7 | Low | 34.9 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | cis | -134 | -133.1 | -5.9 | 38.2 | -15.2 | 0 | 0 | 0 | 110.2 | | |
| 94 | P | 50.7 | Low | 34.9 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | | | | -122.8 | 162.5 | -59.3 | 31 | -14.3 | 0 | 0 | 0 | 115 | | |
| 95 | R | 31.2 | Very low | 35.3 | Very low | 203 Ų | 203 | 137.7 Ų | 137.7 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | trans | 144.6 | 132.1 | 130 | -88.1 | -173 | 157.8 | -141.7 | 9.2 | 115.6 | | |
| 96 | Q | 30 | Very low | 36 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 71% | 0.71 | 78% | 0.777 | S | S | * | * | | | trans | 58.5 | 146.5 | 136.5 | -64.8 | 174.8 | -39.7 | 0 | 0 | 120.5 | | |
| 97 | A | 28.8 | Very low | 36.4 | Very low | 96 Ų | 96 | 137 Ų | 137 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | | | cis | -170 | 162.6 | -14 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 98 | G | 26.5 | Very low | 37.3 | Very low | 69 Ų | 69 | 134.2 Ų | 134.2 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | trans | 89.1 | 146.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 99 | W | 28.3 | Very low | 37.5 | Very low | 251 Ų | 251 | 132.9 Ų | 132.9 | 95% | 0.951 | 77% | 0.769 | S | S | * | * | | | cis | -136.8 | 142.6 | 0.9 | -78 | -12.6 | 0 | 0 | 0 | 108.4 | | |
| 100 | S | 29.8 | Very low | 36.7 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | | | | 79.4 | 127 | 70.9 | 114.2 | 0 | 0 | 0 | 0 | 116 | | |
| 101 | S | 31.4 | Very low | 36 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | | | trans | 123.3 | 140.6 | 171.2 | -67.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 102 | K | 30.5 | Very low | 36.1 | Very low | 192 Ų | 192 | 136.3 Ų | 136.3 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | | | cis | -167.6 | 138.5 | -9.2 | 169 | 174.7 | 179.2 | -178.3 | 0 | 111.1 | | |
| 103 | A | 29.3 | Very low | 36.3 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | 62.3 | 173.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 104 | R | 28.7 | Very low | 35.4 | Very low | 238 Ų | 238 | 145 Ų | 145 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | | | trans | -135.7 | -164 | -154.1 | -147.2 | -161.1 | -150.7 | 168.4 | 6 | 111 | | |
| 105 | P | 58.8 | Low | 35.2 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | | | trans | -92.4 | -165.7 | -137 | 39.7 | -18.8 | 0 | 0 | 0 | 113.6 | | |
| 106 | P | 46 | Very low | 35.4 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | | | | -145.5 | -171.8 | 96.4 | 41.8 | -26.5 | 0 | 0 | 0 | 114.4 | | |
| 107 | D | 36.8 | Very low | 35.8 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | trans | -124 | -156.9 | 171.9 | -142.9 | 51.8 | 0 | 0 | 0 | 106.2 | | |
| 108 | P | 49.5 | Very low | 35.8 | Very low | 98 Ų | 98 | 149.2 Ų | 149.2 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | | | cis | -139.1 | -164.3 | -4.3 | 30.2 | -3.3 | 0 | 0 | 0 | 115.4 | | |
| 109 | L | 36.6 | Very low | 36.1 | Very low | 149 Ų | 149 | 151.2 Ų | 151.2 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | | | trans | 79.4 | 115.1 | 155 | -55.8 | -172.5 | 0 | 0 | 0 | 123 | | |
| 110 | C | 36.4 | Very low | 36.1 | Very low | 105 Ų | 105 | 146.8 Ų | 146.8 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | | | | 49.2 | 117.1 | 127.6 | -58.5 | 0 | 0 | 0 | 0 | 122.9 | | |
| 111 | L | 33.5 | Very low | 36 | Very low | 166 Ų | 166 | 153.2 Ų | 153.2 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | | | trans | -151.6 | 119.5 | 134.3 | -82.3 | -169.4 | 0 | 0 | 0 | 113.4 | | |
| 112 | C | 30.8 | Very low | 35.9 | Very low | 121 Ų | 121 | 153.4 Ų | 153.4 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | 55.8 | 140.4 | 141.1 | -56.6 | 0 | 0 | 0 | 0 | 124.1 | | |
| 113 | R | 35.2 | Very low | 35.8 | Very low | 233 Ų | 233 | 149.8 Ų | 149.8 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | | | trans | -69.7 | 150.9 | 159.2 | -69.5 | -177.3 | 166.9 | -156.1 | 2.1 | 111.4 | | |
| 114 | E | 35.7 | Very low | 35.8 | Very low | 173 Ų | 173 | 150.1 Ų | 150.1 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | | | | 177.2 | 157.9 | 99.5 | -95 | -158.5 | 132.4 | 0 | 0 | 113.7 | L116 | E114-L116 PolarHBondContact O-N 2.82Š|
| 115 | P | 45.2 | Very low | 36 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | | | trans | -89.6 | 104.1 | -176.1 | 34.3 | -31.6 | 0 | 0 | 0 | 112.4 | S117 | P115-S117 PolarHBondContact O-N 3.03Å; P115-S117 VanDerWaalsContact O-N 3.09Å |
| 116 | L | 34.8 | Very low | 34.6 | Very low | 174 Ų | 174 | 148.5 Ų | 148.5 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | | | trans | -73.4 | 104.2 | 171.5 | -76.6 | 173.7 | 0 | 0 | 0 | 111.8 | E114 R118 | E114-L116 PolarHBondContact O-N 2.82Å; L116-R118 PolarHBondContact O-N 2.83Å |
| 117 | S | 38.7 | Very low | 33.8 | Very low | 109 Ų | 109 | 153.8 Ų | 153.8 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | | | trans | -54.7 | 122.8 | 163 | 55.6 | 0 | 0 | 0 | 0 | 111 | P115 | P115-S117 PolarHBondContact O-N 3.03Å; P115-S117 VanDerWaalsContact O-N 3.09Å |
| 118 | R | 30 | Very low | 33.3 | Very low | 245 Ų | 245 | 156 Ų | 156 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | | | trans | -116.4 | 101.3 | 166.1 | -161.9 | 171.2 | -173.4 | 172.6 | 4 | 112.3 | L116 | L116-R118 PolarHBondContact O-N 2.83Š|
| 119 | V | 31.2 | Very low | 32.3 | Very low | 110 Ų | 110 | 161.1 Ų | 161.1 | 67% | 0.667 | 81% | 0.807 | S | S | * | * | | | trans | -68.7 | 130 | 175.3 | 163.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 120 | H | 30 | Very low | 32 | Very low | 159 Ų | 159 | 159.2 Ų | 159.2 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | | | trans | 66.5 | 125.8 | 154.7 | -69.8 | -152.4 | 0 | 0 | 0 | 121.3 | | |
| 121 | R | 27 | Very low | 31.8 | Very low | 238 Ų | 238 | 164.3 Ų | 164.3 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | | | | -146.9 | 90.4 | 123.6 | -157.9 | 174.1 | -170.8 | 177.5 | 2.7 | 111.6 | S123 | R121-S123 PolarHBondContact O-N 2.63Š|
| 122 | T | 28.3 | Very low | 31.5 | Very low | 119 Ų | 119 | 161.7 Ų | 161.7 | 73% | 0.73 | 80% | 0.802 | S | S | * | * | | | trans | -74.4 | 116 | 168.7 | 46.7 | 0 | 0 | 0 | 0 | 110.2 | S124 | T122-S124 PolarHBondContact O-N 3.34Š|
| 123 | S | 29 | Very low | 31.5 | Very low | 116 Ų | 116 | 161.8 Ų | 161.8 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | -80.6 | 113.8 | 171.7 | -67.7 | 0 | 0 | 0 | 0 | 110.6 | R121 | R121-S123 PolarHBondContact O-N 2.63Š|
| 124 | S | 30 | Very low | 31.6 | Very low | 107 Ų | 107 | 156.5 Ų | 156.5 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | -69.1 | 144.3 | 175.6 | 60 | 0 | 0 | 0 | 0 | 112.2 | T122 | T122-S124 PolarHBondContact O-N 3.34Š|
| 125 | T | 31.8 | Very low | 31.2 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | | | trans | -123.5 | 139 | 146.4 | 52.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 126 | L | 29.6 | Very low | 31.2 | Very low | 160 Ų | 160 | 151.3 Ų | 151.3 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -102.1 | 134.5 | -162.5 | -166.6 | 102.6 | 0 | 0 | 0 | 110.1 | | |
| 127 | R | 28.7 | Very low | 31 | Very low | 234 Ų | 234 | 151.3 Ų | 151.3 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | | | trans | -155 | 104.8 | 149.2 | -121 | 176.8 | -172.9 | -136.5 | 1.1 | 115.6 | | |
| 128 | R | 27 | Very low | 30.6 | Very low | 192 Ų | 192 | 154.4 Ų | 154.4 | 73% | 0.725 | 79% | 0.786 | S | S | * | * | | | trans | 47.9 | 111.4 | 143.5 | -76.8 | -179.9 | 159.3 | -124.5 | 1.2 | 118.8 | | |
| 129 | R | 29.3 | Very low | 30.7 | Very low | 206 Ų | 206 | 146.1 Ų | 146.1 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | | | | 73.3 | 131.6 | 92.5 | -72.9 | -176.8 | -174.3 | -156.8 | 1.8 | 112.2 | | |
| 130 | S | 29.1 | Very low | 31.5 | Very low | 109 Ų | 109 | 146.7 Ų | 146.7 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | cis | -142.3 | 142.1 | 43 | 36 | 0 | 0 | 0 | 0 | 112.4 | | |
| 131 | R | 32 | Very low | 31.6 | Very low | 212 Ų | 212 | 144.2 Ų | 144.2 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | | | | 68.1 | 126.1 | 67.5 | 170.7 | -176 | -78.1 | -111 | -0.8 | 112.5 | | |
| 132 | T | 27.4 | Very low | 32.1 | Very low | 111 Ų | 111 | 142 Ų | 142 | 68% | 0.681 | 78% | 0.783 | S | S | * | * | | | cis | -170.4 | 159.8 | -5.6 | -93.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 133 | T | 30.6 | Very low | 32.3 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | trans | -26.4 | 166.9 | 165.3 | 54.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 134 | P | 38.1 | Very low | 32.6 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | | | cis | -147.7 | 179.1 | 37.4 | 41.5 | -18.9 | 0 | 0 | 0 | 120.2 | | |
| 135 | G | 28.1 | Very low | 32.7 | Very low | 66 Ų | 66 | 147.7 Ų | 147.7 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | | | trans | -76.8 | -168 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 136 | P | 43.9 | Very low | 32.8 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | | | | -144.8 | 162.1 | 77 | 37.7 | -19.6 | 0 | 0 | 0 | 116.5 | | |
| 137 | E | 31.2 | Very low | 32.9 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | | 46.5 | 155.9 | 126.2 | -53.8 | 178.8 | 179.1 | 0 | 0 | 120.7 | | |
| 138 | E | 31.1 | Very low | 33.4 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | cis | -160.6 | 132.3 | 13.4 | -145.4 | 174.1 | 172.5 | 0 | 0 | 111.8 | | |
| 139 | G | 32.2 | Very low | 33.8 | Very low | 71 Ų | 71 | 140.5 Ų | 140.5 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | | | trans | 57.8 | 176 | 144.4 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 140 | P | 46.9 | Very low | 34.5 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | cis | -138.5 | 171.8 | -31.3 | 41.6 | -26.8 | 0 | 0 | 0 | 115.2 | | |
| 141 | S | 33.1 | Very low | 34.7 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | 67.8 | 104.8 | 145.4 | -153.8 | 0 | 0 | 0 | 0 | 121.1 | | |
| 142 | Q | 37 | Very low | 34.8 | Very low | 190 Ų | 190 | 133.7 Ų | 133.7 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | | -163.3 | 144.9 | 86.8 | -107.3 | -176.9 | -6.6 | 0 | 0 | 112.4 | | |
| 143 | K | 31.6 | Very low | 35.2 | Very low | 190 Ų | 190 | 134 Ų | 134 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | | | trans | -80.9 | 149.5 | 172.2 | -72.9 | 176.7 | 169.1 | -176.3 | 0 | 110.8 | | |
| 144 | V | 35.8 | Very low | 35.4 | Very low | 146 Ų | 146 | 133.7 Ų | 133.7 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | | | | -162.6 | 160.4 | 116 | 141.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 145 | D | 31.8 | Very low | 35.3 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 67% | 0.674 | 78% | 0.778 | S | S | * | * | | | trans | -85.7 | 160.4 | -146.9 | -86.8 | -71.1 | 0 | 0 | 0 | 119.3 | | |
| 146 | Q | 33.5 | Very low | 35.5 | Very low | 173 Ų | 173 | 139.6 Ų | 139.6 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | | | trans | 71.6 | 73.7 | 145.7 | -73.5 | 168.5 | 8.2 | 0 | 0 | 121.4 | | |
| 147 | A | 32.4 | Very low | 35.2 | Very low | 95 Ų | 95 | 142.3 Ų | 142.3 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | | 28.5 | 117.8 | 117.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 148 | P | 39.5 | Very low | 35.2 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 139.3 | 139.7 | -2.2 | 22.1 | 0 | 0 | 0 | 110.8 | | |
| 149 | Q | 35.8 | Very low | 35.2 | Very low | 190 Ų | 190 | 140.1 Ų | 140.1 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 142 | 175.3 | -84.5 | -82.9 | -19.7 | 0 | 0 | 111.8 | | |
| 150 | P | 42.6 | Very low | 35 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 62% | 0.617 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 147.5 | -161.1 | 36.4 | -34.9 | 0 | 0 | 0 | 115.1 | | |
| 151 | T | 34.4 | Very low | 34.2 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 117.7 | 160.9 | -62.5 | 0 | 0 | 0 | 0 | 109.4 | V153 | T151-V153 PolarHBondContact O-N 3.32Š|
| 152 | L | 34.9 | Very low | 34.2 | Very low | 154 Ų | 154 | 141.9 Ų | 141.9 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | | | trans | -79.5 | 99.9 | 179.4 | -79 | 167.6 | 0 | 0 | 0 | 111.8 | | |
| 153 | V | 33.9 | Very low | 33.9 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | | | trans | -100.8 | 111.6 | 158.6 | 178.4 | 0 | 0 | 0 | 0 | 107.7 | T151 M155 | T151-V153 PolarHBondContact O-N 3.32Å; V153-M155 HydrophobicContact CG1-CG 4.38Å; V153-M155 PolarHBondContact O-N 2.98Å |
| 154 | V | 34.9 | Very low | 34.5 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 70% | 0.697 | 79% | 0.787 | S | S | * | * | | | trans | -90.3 | 98.9 | 176 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 155 | M | 35.9 | Very low | 34.8 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | | | trans | -102.1 | 140.8 | 155.1 | -69 | -95.8 | 56.6 | 0 | 0 | 107.5 | V153 | V153-M155 HydrophobicContact CG1-CG 4.38Å; V153-M155 PolarHBondContact O-N 2.98Å |
| 156 | L | 34 | Very low | 34.6 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -140.3 | 116.9 | 172.3 | -116.4 | 153.6 | 0 | 0 | 0 | 108.3 | | |
| 157 | E | 35.6 | Very low | 34.5 | Very low | 172 Ų | 172 | 137.4 Ų | 137.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -87.9 | 163.4 | -172.4 | -69.9 | 166.1 | 123.3 | 0 | 0 | 111.9 | | |
| 158 | D | 32 | Very low | 34.3 | Very low | 157 Ų | 157 | 136.3 Ų | 136.3 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | | | trans | -69.3 | 137.6 | 168.1 | -169.8 | 11.1 | 0 | 0 | 0 | 109.9 | | |
| 159 | I | 30.5 | Very low | 33.8 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | | | trans | -133.8 | 109.6 | 173 | -53.3 | -179.1 | 0 | 0 | 0 | 109.3 | | |
| 160 | A | 28.5 | Very low | 33.7 | Very low | 95 Ų | 95 | 137 Ų | 137 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 133.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 161 | S | 30.5 | Very low | 33.1 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 153.2 | 173 | -66.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 162 | P | 32.8 | Very low | 33 | Very low | 130 Ų | 130 | 141 Ų | 141 | 84% | 0.844 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 164.8 | -175.1 | 32.6 | -35.6 | 0 | 0 | 0 | 116.6 | | |
| 163 | R | 31.9 | Very low | 32.8 | Very low | 236 Ų | 236 | 140 Ų | 140 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | | | trans | -60.3 | -176.9 | 176.9 | -110 | -175.9 | 169.8 | 163.7 | -6.3 | 115 | | |
| 164 | P | 43.9 | Very low | 33.8 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | | | cis | -142.8 | -148.9 | 22.3 | 45.7 | -24.5 | 0 | 0 | 0 | 113.8 | | |
| 165 | P | 40.9 | Very low | 33.7 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | cis | -122.2 | 166.1 | -36.3 | 32 | -15.2 | 0 | 0 | 0 | 114.1 | | |
| 166 | A | 27.9 | Very low | 33.5 | Very low | 84 Ų | 84 | 140.8 Ų | 140.8 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | | | trans | -171.4 | 140.1 | 151.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 167 | E | 31.7 | Very low | 33.5 | Very low | 185 Ų | 185 | 140.6 Ų | 140.6 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | trans | 37.3 | 125.6 | 152.8 | -87.4 | 58 | -153.3 | 0 | 0 | 122.8 | | |
| 168 | G | 28.3 | Very low | 33.7 | Very low | 71 Ų | 71 | 140.1 Ų | 140.1 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | | | | 117.7 | 92.4 | 120.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 169 | F | 29.8 | Very low | 34.2 | Very low | 195 Ų | 195 | 137.7 Ų | 137.7 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | | | | 65.3 | 119.3 | 130 | -97.5 | -121.5 | 0 | 0 | 0 | 123.9 | | |
| 170 | I | 32.9 | Very low | 34.2 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | | | trans | 52.1 | 152.1 | 148 | 29.1 | 173.9 | 0 | 0 | 0 | 121.8 | | |
| 171 | D | 30.5 | Very low | 34.3 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | cis | -154.8 | -178.1 | -4.4 | -144.5 | -24.4 | 0 | 0 | 0 | 112 | | |
| 172 | E | 31.7 | Very low | 34.4 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | 75.5 | 100.1 | 152.5 | -73.5 | -177.2 | 173.1 | 0 | 0 | 121.5 | | |
| 173 | T | 30.7 | Very low | 34.3 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | | | trans | -82.7 | -172.3 | 147.1 | 41.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 174 | P | 54.1 | Low | 34.6 | Very low | 95 Ų | 95 | 139 Ų | 139 | 62% | 0.617 | 76% | 0.762 | S | S | * | * | | | cis | -132 | -177.6 | -29 | 21.7 | 1.9 | 0 | 0 | 0 | 113.1 | | |
| 175 | N | 34.5 | Very low | 34.6 | Very low | 128 Ų | 128 | 139 Ų | 139 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | | | | 161.7 | 132.2 | 111.8 | -81.2 | -48.6 | 0 | 0 | 0 | 116.7 | | |
| 176 | F | 31.1 | Very low | 34.2 | Very low | 181 Ų | 181 | 141 Ų | 141 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | | | trans | 6.8 | 145.7 | 151.6 | -58.6 | -86.9 | 0 | 0 | 0 | 122.9 | | |
| 177 | I | 34 | Very low | 34.3 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | | | | -167.7 | 134.6 | 99.5 | -88.6 | 149.4 | 0 | 0 | 0 | 111 | | |
| 178 | I | 39.1 | Very low | 34.3 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | | | trans | -132.4 | 137.2 | 157.6 | -55.9 | 173.8 | 0 | 0 | 0 | 106.4 | | |
| 179 | P | 43.1 | Very low | 34.5 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | | | | -130.8 | 130.2 | 127.9 | 7.4 | 14.8 | 0 | 0 | 0 | 110.2 | | |
| 180 | A | 30.3 | Very low | 34.5 | Very low | 81 Ų | 81 | 143.5 Ų | 143.5 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | | | | 73.5 | 144.7 | 82.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 181 | Q | 30.7 | Very low | 34.7 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | | | cis | 173.8 | 166.8 | -10.6 | -109.3 | -170.4 | 13.8 | 0 | 0 | 104.4 | | |
| 182 | R | 32.1 | Very low | 35.2 | Very low | 235 Ų | 235 | 143.2 Ų | 143.2 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | | | trans | 71.7 | 146.2 | 163.1 | -75 | 175.5 | 177.3 | 178.8 | -1.5 | 117.3 | | |
| 183 | A | 31.1 | Very low | 35 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | | | cis | -144.5 | 154.7 | 0.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 184 | E | 38.2 | Very low | 36.2 | Very low | 176 Ų | 176 | 139 Ų | 139 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | | | trans | -71.4 | -170 | 157.4 | -57.8 | -165.4 | 136.9 | 0 | 0 | 110.5 | | |
| 185 | P | 43.8 | Very low | 36.4 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | | | cis | -146.1 | 151.7 | 8.9 | 35.9 | -11.7 | 0 | 0 | 0 | 120.8 | | |
| 186 | M | 31.7 | Very low | 37.1 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | | 51.6 | 147.7 | 117.7 | -141.1 | -167.4 | -166.8 | 0 | 0 | 123.6 | | |
| 187 | K | 31.3 | Very low | 37 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | | | trans | 95.6 | 121.3 | 154.7 | -61.4 | -155.2 | -178.7 | -178.3 | 0 | 118.2 | | |
| 188 | I | 32 | Very low | 36.7 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | | | | 76.8 | 130.5 | 70.6 | -81.3 | 167.8 | 0 | 0 | 0 | 110.1 | | |
| 189 | V | 31 | Very low | 36.5 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 62% | 0.624 | 75% | 0.746 | S | S | * | * | | | cis | -161.2 | 168.3 | 13.9 | 93.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 190 | H | 30.6 | Very low | 35.9 | Very low | 181 Ų | 181 | 140 Ų | 140 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | | | | 166.2 | 116.6 | 126.9 | -84.3 | -65.9 | 0 | 0 | 0 | 114 | | |
| 191 | Q | 36.3 | Very low | 37.2 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | | | trans | -108.2 | 176.2 | 147.3 | -123.5 | -161.5 | 45.3 | 0 | 0 | 106.4 | T193 | Q191-T193 PolarHBondContact OE1-OG1 2.89Š|
| 192 | P | 42.7 | Very low | 37.8 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | | | cis | -148.5 | 160.7 | 33.2 | 39.8 | -17.6 | 0 | 0 | 0 | 119.7 | | |
| 193 | T | 27.5 | Very low | 37.6 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | | | | 36.3 | -176.4 | 123.8 | -14.7 | 0 | 0 | 0 | 0 | 123.8 | Q191 | Q191-T193 PolarHBondContact OE1-OG1 2.89Š|
| 194 | P | 54.3 | Low | 37.7 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | | | | -122.9 | -127 | -114.6 | 45.8 | -24.9 | 0 | 0 | 0 | 113.8 | | |
| 195 | P | 59.5 | Low | 37.7 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | | | | -113.6 | -126.7 | -52.9 | 39.6 | -21.6 | 0 | 0 | 0 | 109.9 | | |
| 196 | P | 47.7 | Very low | 36.8 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | | | cis | -126.4 | -177.1 | -46 | 39.6 | -23.6 | 0 | 0 | 0 | 115.3 | | |
| 197 | G | 29.3 | Very low | 36.6 | Very low | 74 Ų | 74 | 134.7 Ų | 134.7 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | | | trans | 139.3 | 134.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 198 | D | 29.2 | Very low | 36.9 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | | | cis | -161.8 | 144.8 | -3.3 | -152 | 10.6 | 0 | 0 | 0 | 112.7 | | |
| 199 | R | 33.7 | Very low | 36.8 | Very low | 223 Ų | 223 | 133.9 Ų | 133.9 | 84% | 0.842 | 76% | 0.762 | S | S | * | * | | | trans | 71 | 167.2 | 151 | -77.1 | 158.5 | -152.5 | -125.7 | -4.7 | 125.6 | | |
| 200 | E | 30.8 | Very low | 36.7 | Very low | 186 Ų | 186 | 132.6 Ų | 132.6 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | | | trans | -98.8 | 169.8 | -146.6 | -96.5 | -177.4 | 116.9 | 0 | 0 | 117.7 | | |
| 201 | P | 58 | Low | 36.6 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | | | trans | -89.5 | -177.2 | 178.9 | 40.8 | -37.8 | 0 | 0 | 0 | 112.9 | | |
| 202 | P | 43.1 | Very low | 37.7 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | | | | -154.2 | 176.9 | 100.6 | 28.8 | -4.8 | 0 | 0 | 0 | 118 | | |
| 203 | F | 27 | Very low | 37.5 | Very low | 197 Ų | 197 | 130 Ų | 130 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | trans | 90.4 | 124.1 | 158.4 | -54.8 | -60.1 | 0 | 0 | 0 | 122.3 | | |
| 204 | Q | 33 | Very low | 37.7 | Very low | 181 Ų | 181 | 133.2 Ų | 133.2 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | -93.5 | -168.7 | 152.9 | -51.5 | -174.1 | -47.6 | 0 | 0 | 108.6 | | |
| 205 | P | 39 | Very low | 36.6 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | | | cis | -141 | -164.5 | -1.7 | 34.9 | -10.4 | 0 | 0 | 0 | 115.4 | | |
| 206 | S | 25.8 | Very low | 35.7 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | | | trans | 101.1 | 147.2 | 141.4 | -68.2 | 0 | 0 | 0 | 0 | 122.2 | | |
| 207 | A | 26.4 | Very low | 36.2 | Very low | 86 Ų | 86 | 133.2 Ų | 133.2 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | trans | -86.2 | 157.8 | -165.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 208 | L | 37.8 | Very low | 36.9 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | | | trans | 62.5 | 156.4 | 157.1 | -61.4 | 172.7 | 0 | 0 | 0 | 117.4 | | |
| 209 | P | 30.4 | Very low | 37.2 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | | -134.5 | 169.5 | 89.3 | 38.7 | -27.5 | 0 | 0 | 0 | 114.1 | | |
| 210 | A | 28.9 | Very low | 37.6 | Very low | 76 Ų | 76 | 129 Ų | 129 | 63% | 0.628 | 78% | 0.779 | S | S | * | * | | | trans | -98.7 | 159.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 211 | D | 29.2 | Very low | 37.8 | Very low | 158 Ų | 158 | 126.8 Ų | 126.8 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | | | trans | 77.4 | 158.9 | 144.7 | -70.1 | -7.4 | 0 | 0 | 0 | 121.2 | | |
| 212 | P | 59 | Low | 37.2 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -109.8 | -167.4 | -141.4 | 43.5 | -39.3 | 0 | 0 | 0 | 114.4 | | |
| 213 | P | 38.5 | Very low | 36.5 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -131.4 | 144.4 | 145.2 | 34.7 | -21.6 | 0 | 0 | 0 | 115.2 | | |
| 214 | E | 31.4 | Very low | 36.8 | Very low | 177 Ų | 177 | 124.2 Ų | 124.2 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | | | trans | -69.4 | 158.2 | 174.6 | -72.7 | 161.6 | 91.3 | 0 | 0 | 114.9 | | |
| 215 | S | 30.3 | Very low | 36.7 | Very low | 118 Ų | 118 | 124 Ų | 124 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | | | trans | -142.4 | 123.5 | 141.7 | 61.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 216 | P | 41.8 | Very low | 36.5 | Very low | 110 Ų | 110 | 126 Ų | 126 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | | | trans | -101.7 | -176.5 | -165.5 | 41.5 | -36.9 | 0 | 0 | 0 | 113.8 | | |
| 217 | P | 58 | Low | 36.8 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | -110.7 | -157.6 | -145.4 | 40.1 | -29.7 | 0 | 0 | 0 | 115.3 | | |
| 218 | P | 44.1 | Very low | 36.9 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | | -143 | 152.2 | 102.9 | 37.2 | -21.8 | 0 | 0 | 0 | 118.5 | | |
| 219 | A | 35.2 | Very low | 36.9 | Very low | 87 Ų | 87 | 126.4 Ų | 126.4 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | | | trans | -28.5 | 173 | 155.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 220 | P | 42 | Very low | 37.5 | Very low | 127 Ų | 127 | 126.1 Ų | 126.1 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | cis | -137.7 | 162.7 | 17.4 | 40.6 | -21.5 | 0 | 0 | 0 | 120.2 | | |
| 221 | D | 34.7 | Very low | 38.2 | Very low | 139 Ų | 139 | 128 Ų | 128 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | | | trans | -58.2 | 167.7 | 163 | -127.5 | -31.7 | 0 | 0 | 0 | 112.7 | A223 | D221-A223 PolarHBondContact OD1-N 3.39Š|
| 222 | P | 45.1 | Very low | 39.1 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | | -148.1 | 132.7 | 63.7 | 36.4 | -14.5 | 0 | 0 | 0 | 119.2 | | |
| 223 | A | 28.2 | Very low | 38.2 | Very low | 73 Ų | 73 | 126.4 Ų | 126.4 | 60% | 0.603 | 78% | 0.784 | S | S | * | * | | | | 82.6 | 144.2 | 123 | 0 | 0 | 0 | 0 | 0 | 122.9 | D221 | D221-A223 PolarHBondContact OD1-N 3.39Š|
| 224 | L | 34.9 | Very low | 38.1 | Very low | 157 Ų | 157 | 125.2 Ų | 125.2 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | 78 | 130.9 | 165.8 | -46.5 | -177.1 | 0 | 0 | 0 | 117.8 | | |
| 225 | E | 30.5 | Very low | 38.6 | Very low | 177 Ų | 177 | 124.4 Ų | 124.4 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | | | cis | -161.7 | -174.6 | -25.4 | -139 | -174.5 | -173.1 | 0 | 0 | 110.1 | | |
| 226 | L | 33.5 | Very low | 39.2 | Very low | 151 Ų | 151 | 126.8 Ų | 126.8 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -60.3 | 161.2 | -169.1 | -95 | 63.5 | 0 | 0 | 0 | 117.5 | | |
| 227 | P | 32.4 | Very low | 39.2 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -79.7 | 130.8 | 169.9 | 33 | -32.8 | 0 | 0 | 0 | 112.6 | | |
| 228 | S | 28.9 | Very low | 38.5 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -114.3 | 124.2 | 171.3 | 63.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 229 | T | 37.1 | Very low | 38.6 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | | | trans | -67.7 | 160.3 | 150 | 29.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 230 | P | 44.8 | Very low | 39.3 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | cis | -131.6 | -151 | 18.6 | 44.4 | -25.1 | 0 | 0 | 0 | 110.9 | | |
| 231 | P | 41.9 | Very low | 39.7 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | | | cis | -122.9 | 175.9 | -12.2 | 42.3 | -26.4 | 0 | 0 | 0 | 114.3 | | |
| 232 | P | 48.9 | Very low | 40.7 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | | | trans | -95.3 | 138.6 | -163.3 | 35.5 | -33.3 | 0 | 0 | 0 | 114.4 | | |
| 233 | S | 40.3 | Very low | 40.8 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | 167.2 | 123.3 | 136.4 | 45.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 234 | S | 36.8 | Very low | 42.1 | Very low | 100 Ų | 100 | 143 Ų | 143 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | | | trans | 175.2 | -20.9 | 150.7 | 43 | 0 | 0 | 0 | 0 | 114.7 | L236 | S234-L236 PolarHBondContact O-N 3.01Š|
| 235 | L | 41.9 | Very low | 43 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | trans | -102.4 | 53.6 | -168.5 | -64.3 | -176.7 | 0 | 0 | 0 | 116 | | |
| 236 | L | 42.4 | Very low | 44.1 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 88% | 0.88 | 77% | 0.768 | S | S | * | * | | | trans | -147.3 | 67.3 | 150.2 | -79.7 | -171 | 0 | 0 | 0 | 110.9 | S234 P238 | S234-L236 PolarHBondContact O-N 3.01Å; L236-P238 VanDerWaalsContact O-CD 3.27Å; L236-P238 WeakPolarHBondContact O-CD 3.45Å |
| 237 | R | 42.7 | Very low | 44.9 | Very low | 227 Ų | 227 | 132.3 Ų | 132.3 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | | | trans | -99.5 | 95.5 | 159.2 | -77.4 | -173.2 | -172.1 | 146.4 | 5.8 | 109.7 | R239 | R237-R239 PolarHBondContact O-N 3.4Š|
| 238 | P | 41.6 | Very low | 46 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | | | trans | -59.3 | 124 | 162.1 | 25.7 | -32.3 | 0 | 0 | 0 | 108.3 | L236 L240 | L236-P238 VanDerWaalsContact O-CD 3.27Å; L236-P238 WeakPolarHBondContact O-CD 3.45Å; P238-L240 VanDerWaalsContact C-N 3.27Å; P238-L240 PolarHBondContact O-N 3.12Å |
| 239 | R | 47.5 | Very low | 47.1 | Very low | 249 Ų | 249 | 132.2 Ų | 132.2 | 94% | 0.94 | 74% | 0.737 | S | S | * | * | | | trans | -72.5 | 83.4 | 178.3 | -71.5 | -157.6 | -179.1 | -143.7 | 4.9 | 110.3 | R237 S241 | R237-R239 PolarHBondContact O-N 3.4Å; R239-S241 PolarHBondContact O-N 2.85Å |
| 240 | L | 48.5 | Very low | 48 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | | | trans | -71.9 | 114.6 | 169.4 | -68.1 | 170.3 | 0 | 0 | 0 | 109.1 | P238 L245 | P238-L240 VanDerWaalsContact C-N 3.27Å; P238-L240 PolarHBondContact O-N 3.12Å; L240-L245 HydrophobicContact CD1-CD1 3.8Å |
| 241 | S | 51.5 | Low | 48.7 | Very low | 95 Ų | 95 | 133.3 Ų | 133.3 | 66% | 0.664 | 72% | 0.722 | S | S | * | * | | | trans | -61 | 155 | 172.1 | 48.5 | 0 | 0 | 0 | 0 | 111.1 | R239 W243 | R239-S241 PolarHBondContact O-N 2.85Å; S241-W243 PolarHBondContact O-N 3.5Å |
| 242 | P | 56.2 | Low | 50 | Low | 124 Ų | 124 | 131.1 Ų | 131.1 | 81% | 0.805 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -80.8 | 53.6 | -162.2 | 33.8 | -38.5 | 0 | 0 | 0 | 114.3 | | |
| 243 | W | 46.3 | Very low | 50.9 | Low | 242 Ų | 242 | 134.7 Ų | 134.7 | 92% | 0.917 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -143.1 | 116.9 | 171.9 | -69.8 | 89.5 | 0 | 0 | 0 | 111.2 | S241 | S241-W243 PolarHBondContact O-N 3.5Š|
| 244 | G | 55.2 | Low | 52.2 | Low | 68 Ų | 68 | 132.4 Ų | 132.4 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 130.4 | -19.7 | 149.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | P247 | G244-P247 WeakPolarHBondContact O-CD 3.48Š|
| 245 | L | 54.4 | Low | 54 | Low | 86 Ų | 86 | 134.1 Ų | 134.1 | 45% | 0.45 | 68% | 0.683 | S | S | . | * | | | trans | -88.9 | -8.9 | -172 | -89 | 168.6 | 0 | 0 | 0 | 116.6 | L240 P247 L248 F249 | L240-L245 HydrophobicContact CD1-CD1 3.8Å; L245-P247 VanDerWaalsContact C-CD 3.45Å; L245-L248 PolarHBondContact O-N 2.96Å; L245-F249 HydrophobicContact CB-CD2 4.2Å; L245-F249 HydrophobicContact CB-CE2 3.97Å; L245-F249 HydrophobicContact CD1-CE2 4.21Å; L245-F249 HydrophobicContact CD2-CE2 3.9Å; L245-F249 HydrophobicContact CG-CE2 4.25Å; L245-F249 WeakPolarHBondContact O-CD2 3.41Å |
| 246 | A | 52.3 | Low | 55.9 | Low | 78 Ų | 78 | 131.6 Ų | 131.6 | 65% | 0.645 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -58.5 | -36.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 247 | P | 52.2 | Low | 57.4 | Low | 98 Ų | 98 | 130.2 Ų | 130.2 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.6 | -34.9 | -178.7 | -20 | 33.5 | 0 | 0 | 0 | 113.5 | G244 L245 | G244-P247 WeakPolarHBondContact O-CD 3.48Å; L245-P247 VanDerWaalsContact C-CD 3.45Å |
| 248 | L | 53.9 | Low | 58.6 | Low | 113 Ų | 113 | 122.4 Ų | 122.4 | 59% | 0.592 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73 | -43.6 | -174.8 | -129 | 82.3 | 0 | 0 | 0 | 111.6 | L245 R250 S251 V252 | L245-L248 PolarHBondContact O-N 2.96Å; L248-R250 VanDerWaalsContact C-N 3.34Å; L248-R250 PolarHBondContact O-N 2.99Å; L248-S251 PolarHBondContact O-N 3.49Å; L248-S251 PolarHBondContact O-OG 3.47Å; L248-S251 VanDerWaalsContact O-OG 3.05Å; L248-V252 WeakPolarHBondContact O-CG2 3.48Å; L248-V252 PolarHBondContact O-N 2.93Å |
| 249 | F | 52.5 | Low | 60.2 | Low | 126 Ų | 126 | 122.5 Ų | 122.5 | 55% | 0.553 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.6 | -25.3 | -178 | -69.7 | -63.4 | 0 | 0 | 0 | 113.7 | L245 R253 | L245-F249 HydrophobicContact CB-CD2 4.2Å; L245-F249 HydrophobicContact CB-CE2 3.97Å; L245-F249 HydrophobicContact CD1-CE2 4.21Å; L245-F249 HydrophobicContact CD2-CE2 3.9Å; L245-F249 HydrophobicContact CG-CE2 4.25Å; L245-F249 WeakPolarHBondContact O-CD2 3.41Å; F249-R253 VanDerWaalsContact O-CB 3.29Å; F249-R253 WeakPolarHBondContact O-CB 3.47Å; F249-R253 WeakPolarHBondContact O-CG 3.37Å; F249-R253 PolarHBondContact O-N 2.98Å |
| 250 | R | 55.2 | Low | 61.5 | Low | 207 Ų | 207 | 112.6 Ų | 112.6 | 78% | 0.781 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.6 | -38.6 | 169.9 | -71.4 | -158.6 | 74.9 | -169.1 | 2.9 | 112.3 | L248 S254 | L248-R250 VanDerWaalsContact C-N 3.34Å; L248-R250 PolarHBondContact O-N 2.99Å; R250-S254 VanDerWaalsContact O-CB 3.31Å; R250-S254 WeakPolarHBondContact O-CB 3.42Å; R250-S254 PolarHBondContact O-N 3.07Å |
| 251 | S | 59.9 | Low | 62.3 | Low | 71 Ų | 71 | 111 Ų | 111 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.6 | -37.1 | 177.2 | 79.8 | 0 | 0 | 0 | 0 | 111.8 | L248 S254 K255 | L248-S251 PolarHBondContact O-N 3.49Å; L248-S251 PolarHBondContact O-OG 3.47Å; L248-S251 VanDerWaalsContact O-OG 3.05Å; S251-S254 PolarHBondContact O-N 3.06Å; S251-K255 WeakPolarHBondContact O-CB 3.41Å; S251-K255 PolarHBondContact O-N 3.49Å |
| 252 | V | 69.4 | Low | 63 | Low | 70 Ų | 70 | 112 Ų | 112 | 42% | 0.424 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.9 | -43.1 | 174.1 | 175 | 0 | 0 | 0 | 0 | 111.4 | L248 K255 L256 | L248-V252 WeakPolarHBondContact O-CG2 3.48Å; L248-V252 PolarHBondContact O-N 2.93Å; V252-K255 PolarHBondContact O-N 3.3Å; V252-L256 HydrophobicContact CG1-CD1 3.97Å; V252-L256 WeakPolarHBondContact O-CB 3.27Å; V252-L256 WeakPolarHBondContact O-CG 3.23Å; V252-L256 PolarHBondContact O-N 3.24Å |
| 253 | R | 67.3 | Low | 63.2 | Low | 196 Ų | 196 | 114 Ų | 114 | 74% | 0.74 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -59.2 | -51.6 | 172.7 | -82.6 | -71.5 | -159.9 | 143.3 | 3 | 111.9 | F249 K255 L256 E257 | F249-R253 VanDerWaalsContact O-CB 3.29Å; F249-R253 WeakPolarHBondContact O-CB 3.47Å; F249-R253 WeakPolarHBondContact O-CG 3.37Å; F249-R253 PolarHBondContact O-N 2.98Å; R253-K255 VanDerWaalsContact C-N 3.28Å; R253-K255 PolarHBondContact O-N 3.23Å; R253-L256 PolarHBondContact O-N 3.32Å; R253-E257 VanDerWaalsContact O-CB 3.25Å; R253-E257 WeakPolarHBondContact O-CB 3.2Å; R253-E257 PolarHBondContact O-N 2.91Å |
| 254 | S | 69.4 | Low | 64.1 | Low | 69 Ų | 69 | 109 Ų | 109 | 48% | 0.483 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.3 | -33 | 178.9 | 173.7 | 0 | 0 | 0 | 0 | 112.8 | R250 S251 S258 | R250-S254 VanDerWaalsContact O-CB 3.31Å; R250-S254 WeakPolarHBondContact O-CB 3.42Å; R250-S254 PolarHBondContact O-N 3.07Å; S251-S254 PolarHBondContact O-N 3.06Å; S254-S258 WeakPolarHBondContact O-CB 3.45Å; S254-S258 PolarHBondContact O-N 3.39Å |
| 255 | K | 74.3 | Confident | 64.2 | Low | 135 Ų | 135 | 109.4 Ų | 109.4 | 59% | 0.587 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -73.2 | -40.4 | 176.1 | -162.7 | 178.1 | -175.3 | -175.1 | 0 | 111.9 | S251 V252 R253 S258 F259 | S251-K255 WeakPolarHBondContact O-CB 3.41Å; S251-K255 PolarHBondContact O-N 3.49Å; V252-K255 PolarHBondContact O-N 3.3Å; R253-K255 VanDerWaalsContact C-N 3.28Å; R253-K255 PolarHBondContact O-N 3.23Å; K255-S258 PolarHBondContact O-N 2.74Å; K255-F259 HydrophobicContact CD-CE2 4.17Å; K255-F259 HydrophobicContact CG-CD2 4.14Å; K255-F259 HydrophobicContact CG-CE2 3.72Å; K255-F259 HydrophobicContact CG-CZ 4.5Å; K255-F259 WeakPolarHBondContact O-CD2 3.17Å; K255-F259 WeakPolarHBondContact O-CG 3.43Å; K255-F259 PolarHBondContact O-N 3Å |
| 256 | L | 80.2 | Confident | 64.3 | Low | 109 Ų | 109 | 110.1 Ų | 110.1 | 57% | 0.571 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.6 | -39.2 | 171.8 | -80.3 | 165.9 | 0 | 0 | 0 | 112.2 | V252 R253 F259 A260 | V252-L256 HydrophobicContact CG1-CD1 3.97Å; V252-L256 WeakPolarHBondContact O-CB 3.27Å; V252-L256 WeakPolarHBondContact O-CG 3.23Å; V252-L256 PolarHBondContact O-N 3.24Å; R253-L256 PolarHBondContact O-N 3.32Å; L256-F259 PolarHBondContact O-N 2.85Å; L256-A260 WeakPolarHBondContact O-CB 3.35Å; L256-A260 PolarHBondContact O-N 3.46Å |
| 257 | E | 74.6 | Confident | 64.4 | Low | 139 Ų | 139 | 114.5 Ų | 114.5 | 65% | 0.65 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.3 | -43.5 | 174.2 | -177.4 | 173.4 | -147.5 | 0 | 0 | 111.3 | R253 A260 D261 | R253-E257 VanDerWaalsContact O-CB 3.25Å; R253-E257 WeakPolarHBondContact O-CB 3.2Å; R253-E257 PolarHBondContact O-N 2.91Å; E257-A260 WeakPolarHBondContact O-CB 3.26Å; E257-A260 PolarHBondContact O-N 3.09Å; E257-D261 WeakPolarHBondContact O-CB 3.32Å; E257-D261 PolarHBondContact O-N 3.46Å |
| 258 | S | 69.1 | Low | 64.4 | Low | 63 Ų | 63 | 118.8 Ų | 118.8 | 44% | 0.441 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.5 | -38.1 | 172.9 | 177.4 | 0 | 0 | 0 | 0 | 113 | S254 K255 D261 I262 | S254-S258 WeakPolarHBondContact O-CB 3.45Å; S254-S258 PolarHBondContact O-N 3.39Å; K255-S258 PolarHBondContact O-N 2.74Å; S258-D261 PolarHBondContact O-N 3.11Å; S258-I262 WeakPolarHBondContact O-CD1 3.46Å; S258-I262 WeakPolarHBondContact O-CG1 3.38Å; S258-I262 PolarHBondContact O-N 2.9Å |
| 259 | F | 73.9 | Confident | 64.3 | Low | 101 Ų | 101 | 119.4 Ų | 119.4 | 44% | 0.443 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.9 | -41 | 172.4 | -75.7 | -55.5 | 0 | 0 | 0 | 111.6 | K255 L256 D261 I262 F263 | K255-F259 HydrophobicContact CD-CE2 4.17Å; K255-F259 HydrophobicContact CG-CD2 4.14Å; K255-F259 HydrophobicContact CG-CE2 3.72Å; K255-F259 HydrophobicContact CG-CZ 4.5Å; K255-F259 WeakPolarHBondContact O-CD2 3.17Å; K255-F259 WeakPolarHBondContact O-CG 3.43Å; K255-F259 PolarHBondContact O-N 3Å; L256-F259 PolarHBondContact O-N 2.85Å; F259-D261 VanDerWaalsContact C-N 3.35Å; F259-D261 PolarHBondContact O-N 3.46Å; F259-I262 PolarHBondContact O-N 3.23Å; F259-F263 HydrophobicContact CD1-CE2 4.36Å; F259-F263 WeakPolarHBondContact O-CD2 3.4Å; F259-F263 PolarHBondContact O-N 3.42Å |
| 260 | A | 74.6 | Confident | 64 | Low | 41 Ų | 41 | 119.6 Ų | 119.6 | 34% | 0.339 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.9 | -42.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L256 E257 F263 L264 | L256-A260 WeakPolarHBondContact O-CB 3.35Å; L256-A260 PolarHBondContact O-N 3.46Å; E257-A260 WeakPolarHBondContact O-CB 3.26Å; E257-A260 PolarHBondContact O-N 3.09Å; A260-F263 PolarHBondContact O-N 3.33Å; A260-L264 HydrophobicContact CB-CD1 4.14Å; A260-L264 WeakPolarHBondContact O-CA 3.42Å; A260-L264 WeakPolarHBondContact O-CB 3.35Å; A260-L264 WeakPolarHBondContact O-CG 3.29Å; A260-L264 PolarHBondContact O-N 2.78Å |
| 261 | D | 65.6 | Low | 63.7 | Low | 101 Ų | 101 | 118.3 Ų | 118.3 | 54% | 0.54 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.8 | -40.6 | 175.8 | -165.3 | 18.9 | 0 | 0 | 0 | 112 | E257 S258 F259 F263 T265 | E257-D261 WeakPolarHBondContact O-CB 3.32Å; E257-D261 PolarHBondContact O-N 3.46Å; S258-D261 PolarHBondContact O-N 3.11Å; F259-D261 VanDerWaalsContact C-N 3.35Å; F259-D261 PolarHBondContact O-N 3.46Å; D261-F263 PolarHBondContact O-N 3.19Å; D261-T265 WeakPolarHBondContact O-CB 3.31Å; D261-T265 PolarHBondContact O-N 2.78Å; D261-T265 PolarHBondContact O-OG1 2.99Å; D261-T265 PolarHBondContact OD1-OG1 2.79Å |
| 262 | I | 67.4 | Low | 63.2 | Low | 114 Ų | 114 | 119.9 Ų | 119.9 | 59% | 0.585 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.4 | -35.4 | 176.8 | -68.5 | 162 | 0 | 0 | 0 | 112.8 | S258 F259 | S258-I262 WeakPolarHBondContact O-CD1 3.46Å; S258-I262 WeakPolarHBondContact O-CG1 3.38Å; S258-I262 PolarHBondContact O-N 2.9Å; F259-I262 PolarHBondContact O-N 3.23Å |
| 263 | F | 60.1 | Low | 62.8 | Low | 166 Ų | 166 | 122 Ų | 122 | 73% | 0.728 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -99.6 | -24.6 | -174.9 | -72.9 | -66.1 | 0 | 0 | 0 | 115 | F259 A260 D261 | F259-F263 HydrophobicContact CD1-CE2 4.36Å; F259-F263 WeakPolarHBondContact O-CD2 3.4Å; F259-F263 PolarHBondContact O-N 3.42Å; A260-F263 PolarHBondContact O-N 3.33Å; D261-F263 PolarHBondContact O-N 3.19Å |
| 264 | L | 64.8 | Low | 62.5 | Low | 138 Ų | 138 | 118.2 Ų | 118.2 | 72% | 0.723 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -106.3 | -15.7 | -176 | -57.1 | 175.4 | 0 | 0 | 0 | 113.6 | A260 P266 | A260-L264 HydrophobicContact CB-CD1 4.14Å; A260-L264 WeakPolarHBondContact O-CA 3.42Å; A260-L264 WeakPolarHBondContact O-CB 3.35Å; A260-L264 WeakPolarHBondContact O-CG 3.29Å; A260-L264 PolarHBondContact O-N 2.78Å; L264-P266 WeakPolarHBondContact O-CD 3.47Å |
| 265 | T | 58.3 | Low | 61.7 | Low | 76 Ų | 76 | 121 Ų | 121 | 47% | 0.466 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -82.4 | 107.8 | 172.7 | -62.7 | 0 | 0 | 0 | 0 | 108.9 | D261 N267 | D261-T265 WeakPolarHBondContact O-CB 3.31Å; D261-T265 PolarHBondContact O-N 2.78Å; D261-T265 PolarHBondContact O-OG1 2.99Å; D261-T265 PolarHBondContact OD1-OG1 2.79Å; T265-N267 PolarHBondContact O-N 3.05Å |
| 266 | P | 55.7 | Low | 60.6 | Low | 102 Ų | 102 | 119.6 Ų | 119.6 | 66% | 0.662 | 67% | 0.67 | S | S | * | * | | | trans | -63.2 | 138.1 | 179.2 | 27.6 | -34.8 | 0 | 0 | 0 | 109.5 | L264 K268 | L264-P266 WeakPolarHBondContact O-CD 3.47Å; P266-K268 VanDerWaalsContact C-N 3.32Å; P266-K268 PolarHBondContact O-N 2.79Å |
| 267 | N | 53.7 | Low | 59.7 | Low | 169 Ų | 169 | 119.6 Ų | 119.6 | 90% | 0.904 | 68% | 0.676 | S | S | * | * | | | trans | -50.2 | 84.6 | -174.9 | -74.8 | -50.8 | 0 | 0 | 0 | 113.5 | T265 T269 | T265-N267 PolarHBondContact O-N 3.05Å; N267-T269 PolarHBondContact O-N 2.77Å |
| 268 | K | 52.6 | Low | 58.3 | Low | 189 Ų | 189 | 119 Ų | 119 | 82% | 0.822 | 68% | 0.684 | S | S | * | * | | | trans | -77.9 | 104.2 | 166.6 | -81.8 | -167.6 | 172.6 | -175.7 | 0 | 108 | P266 | P266-K268 VanDerWaalsContact C-N 3.32Å; P266-K268 PolarHBondContact O-N 2.79Å |
| 269 | T | 51.8 | Low | 56.9 | Low | 126 Ų | 126 | 123.9 Ų | 123.9 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | | | trans | -49.2 | 131.2 | 164.1 | 39 | 0 | 0 | 0 | 0 | 109.6 | N267 Q271 | N267-T269 PolarHBondContact O-N 2.77Å; T269-Q271 PolarHBondContact O-N 3.33Å |
| 270 | P | 45.3 | Very low | 55.3 | Low | 130 Ų | 130 | 128 Ų | 128 | 84% | 0.844 | 72% | 0.72 | S | S | * | * | | | trans | -60.1 | 114.1 | 179.1 | -25.6 | 34.9 | 0 | 0 | 0 | 110.9 | | |
| 271 | Q | 49 | Very low | 53.9 | Low | 179 Ų | 179 | 133.3 Ų | 133.3 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 126.5 | 172.8 | -176.4 | 175.4 | -8 | 0 | 0 | 108.6 | T269 | T269-Q271 PolarHBondContact O-N 3.33Š|
| 272 | P | 49.7 | Very low | 53 | Low | 105 Ų | 105 | 136.1 Ų | 136.1 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 143 | 178.2 | 26.5 | -33.5 | 0 | 0 | 0 | 110.5 | | |
| 273 | P | 61.5 | Low | 51.9 | Low | 115 Ų | 115 | 137.5 Ų | 137.5 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 146 | 177.3 | 28.1 | -34.5 | 0 | 0 | 0 | 110.8 | | |
| 274 | P | 61.3 | Low | 51.1 | Low | 116 Ų | 116 | 139.2 Ų | 139.2 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 146.9 | 178 | 28 | -34.6 | 0 | 0 | 0 | 111.1 | S276 | P274-S276 PolarHBondContact O-N 3.13Š|
| 275 | P | 51.7 | Low | 50.2 | Low | 126 Ų | 126 | 138.3 Ų | 138.3 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 131.8 | 180 | 27.3 | -34.2 | 0 | 0 | 0 | 111.2 | | |
| 276 | S | 51.5 | Low | 49.3 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 143.4 | 174.3 | 53.6 | 0 | 0 | 0 | 0 | 111.7 | P274 | P274-S276 PolarHBondContact O-N 3.13Š|
| 277 | P | 61.5 | Low | 48.4 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 150.3 | 178.5 | 27 | -34.7 | 0 | 0 | 0 | 112.2 | M279 | P277-M279 PolarHBondContact O-N 3.13Š|
| 278 | P | 46.4 | Very low | 47.7 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 123.6 | -172.6 | 27.4 | -34.6 | 0 | 0 | 0 | 112.1 | K280 | P278-K280 PolarHBondContact O-N 3.49Š|
| 279 | M | 38.9 | Very low | 46.9 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 122 | 173.8 | -63.7 | -179.8 | 72 | 0 | 0 | 110.3 | P277 L281 | P277-M279 PolarHBondContact O-N 3.13Å; M279-L281 PolarHBondContact O-N 3.27Å; M279-L281 VanDerWaalsContact O-N 3.13Å |
| 280 | K | 39.8 | Very low | 46.2 | Very low | 189 Ų | 189 | 137.3 Ų | 137.3 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | trans | -65.7 | 107.9 | 168 | -81.5 | -175.9 | 172.6 | -175.9 | 0 | 109.6 | P278 | P278-K280 PolarHBondContact O-N 3.49Š|
| 281 | L | 44.7 | Very low | 45.7 | Very low | 152 Ų | 152 | 138 Ų | 138 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | | | trans | -93.9 | 97.9 | 166.7 | -65.9 | 177.2 | 0 | 0 | 0 | 108.7 | M279 L283 | M279-L281 PolarHBondContact O-N 3.27Å; M279-L281 VanDerWaalsContact O-N 3.13Å; L281-L283 PolarHBondContact O-N 3.38Å |
| 282 | E | 46.7 | Very low | 45.3 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | | | trans | -73.9 | 92.8 | 175.7 | -69.6 | -175.4 | -179 | 0 | 0 | 110.5 | K284 | E282-K284 PolarHBondContact O-N 3.3Š|
| 283 | L | 44.2 | Very low | 44.6 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | | | trans | -74.3 | 92.2 | 174.8 | -118.6 | 162 | 0 | 0 | 0 | 109.6 | L281 I285 | L281-L283 PolarHBondContact O-N 3.38Å; L283-I285 VanDerWaalsContact C-N 3.28Å; L283-I285 HydrophobicContact CD2-CG1 4.06Å; L283-I285 PolarHBondContact O-N 3.45Å |
| 284 | K | 44.3 | Very low | 43.2 | Very low | 201 Ų | 201 | 135.8 Ų | 135.8 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | trans | -66.8 | 85.6 | 169.1 | -81.2 | -174.8 | 173.9 | 179.4 | 0 | 110.5 | E282 | E282-K284 PolarHBondContact O-N 3.3Š|
| 285 | I | 45.4 | Very low | 41.8 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | | | trans | -85.8 | 112.7 | 166 | -54.2 | 177 | 0 | 0 | 0 | 107 | L283 I287 | L283-I285 VanDerWaalsContact C-N 3.28Å; L283-I285 HydrophobicContact CD2-CG1 4.06Å; L283-I285 PolarHBondContact O-N 3.45Å; I285-I287 HydrophobicContact CB-CG1 4.46Å; I285-I287 HydrophobicContact CG2-CD1 4.38Å; I285-I287 HydrophobicContact CG2-CG1 3.74Å; I285-I287 PolarHBondContact O-N 2.9Å; I285-I287 VanDerWaalsContact O-N 3.14Å |
| 286 | A | 39.8 | Very low | 41 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | | | trans | -74 | 100.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 287 | I | 37.4 | Very low | 40.4 | Very low | 148 Ų | 148 | 137.7 Ų | 137.7 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | | | trans | -96.9 | 107.1 | 168.8 | -53 | 179 | 0 | 0 | 0 | 106.3 | I285 | I285-I287 HydrophobicContact CB-CG1 4.46Å; I285-I287 HydrophobicContact CG2-CD1 4.38Å; I285-I287 HydrophobicContact CG2-CG1 3.74Å; I285-I287 PolarHBondContact O-N 2.9Å; I285-I287 VanDerWaalsContact O-N 3.14Å |
| 288 | S | 39.1 | Very low | 39.2 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | -73.7 | 124.5 | 170 | 49.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 289 | E | 35.2 | Very low | 38.8 | Very low | 176 Ų | 176 | 137.1 Ų | 137.1 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | -56.8 | 140 | 178.1 | -169.9 | 166.1 | -143.3 | 0 | 0 | 113 | | |
| 290 | A | 36.9 | Very low | 38.7 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | trans | -145.5 | 126.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 291 | E | 35.3 | Very low | 38.7 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 67% | 0.668 | 78% | 0.784 | S | S | * | * | | | trans | -89.9 | 150.2 | -159.6 | -69.5 | -172.6 | 91.2 | 0 | 0 | 114.9 | | |
| 292 | Q | 40.3 | Very low | 38.5 | Very low | 166 Ų | 166 | 128.6 Ų | 128.6 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | 63.3 | 150.2 | 144.5 | -66 | 172 | 48.8 | 0 | 0 | 117.2 | | |
| 293 | S | 34.8 | Very low | 38.1 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | cis | -162.3 | 160.8 | 10 | 50.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 294 | G | 32.4 | Very low | 38.2 | Very low | 73 Ų | 73 | 124.7 Ų | 124.7 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | trans | 104.9 | 101.6 | 138.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 295 | A | 30.5 | Very low | 38 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | trans | 51.9 | 122.6 | 133.2 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 296 | A | 36.6 | Very low | 37.8 | Very low | 91 Ų | 91 | 126.3 Ų | 126.3 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | trans | 75.2 | 126.6 | 131.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 297 | E | 37.8 | Very low | 38 | Very low | 195 Ų | 195 | 126.8 Ų | 126.8 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | | | trans | 52.4 | 105.6 | 147.4 | -64.7 | -170.9 | 126.9 | 0 | 0 | 122.4 | | |
| 298 | G | 36.8 | Very low | 38.3 | Very low | 69 Ų | 69 | 127.9 Ų | 127.9 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | | 77.6 | 93.1 | 108.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 299 | T | 36.7 | Very low | 38.7 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 95% | 0.951 | 80% | 0.797 | S | S | * | * | | | trans | -165 | 165.3 | 134 | 10.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 300 | A | 38 | Very low | 39 | Very low | 83 Ų | 83 | 132 Ų | 132 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | | | trans | -57.7 | 143.6 | -162.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 301 | S | 39.4 | Very low | 38.6 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | | 82.6 | 158.3 | 129.3 | 74.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 302 | V | 40.4 | Very low | 39 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | 98 | 120.8 | 161.7 | -170.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 303 | S | 37.9 | Very low | 38.8 | Very low | 98 Ų | 98 | 138.3 Ų | 138.3 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | | | trans | -69.9 | 141.2 | 176.2 | 172.1 | 0 | 0 | 0 | 0 | 113.3 | R305 | S303-R305 PolarHBondContact O-N 3.43Š|
| 304 | P | 46.8 | Very low | 38.6 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | | | trans | -84.3 | 106.2 | -178 | 32.6 | -33.5 | 0 | 0 | 0 | 112.7 | | |
| 305 | R | 39.8 | Very low | 38.6 | Very low | 232 Ų | 232 | 142.9 Ų | 142.9 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | | | trans | -148.5 | 101.9 | 159.8 | -144.5 | 179.3 | -164.3 | 171.6 | 6.7 | 111.6 | S303 | S303-R305 PolarHBondContact O-N 3.43Š|
| 306 | P | 42.5 | Very low | 39 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 135.6 | 177.4 | 29.5 | -31.9 | 0 | 0 | 0 | 111.2 | | |
| 307 | P | 42.9 | Very low | 38.7 | Very low | 113 Ų | 113 | 148.5 Ų | 148.5 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 153.8 | -179 | 34.2 | -35 | 0 | 0 | 0 | 113.4 | R309 | P307-R309 PolarHBondContact O-N 3.07Š|
| 308 | I | 44.5 | Very low | 38.7 | Very low | 172 Ų | 172 | 145.3 Ų | 145.3 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 125 | 175.3 | -65.8 | 165.3 | 0 | 0 | 0 | 110 | | |
| 309 | R | 46.7 | Very low | 39 | Very low | 234 Ų | 234 | 147.8 Ų | 147.8 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | | | trans | -110.9 | 126.8 | 171.3 | -87.3 | -173.9 | 167.7 | -107.7 | 1.2 | 112.9 | P307 | P307-R309 PolarHBondContact O-N 3.07Š|
| 310 | Q | 41.5 | Very low | 38.8 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | | | trans | -70.3 | 164.1 | 153.8 | -54.2 | 160.3 | -48.6 | 0 | 0 | 107.9 | | |
| 311 | W | 29.6 | Very low | 38.9 | Very low | 216 Ų | 216 | 146.9 Ų | 146.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | cis | -162.5 | -176.3 | 42.1 | -88.7 | 98.2 | 0 | 0 | 0 | 111.2 | | |
| 312 | R | 43.5 | Very low | 38.8 | Very low | 234 Ų | 234 | 150 Ų | 150 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | | | trans | -87.6 | 147.6 | 171.3 | -80.4 | -173.8 | -75.8 | -127 | -2 | 114 | | |
| 313 | A | 35.9 | Very low | 38.6 | Very low | 91 Ų | 91 | 151.5 Ų | 151.5 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | trans | -157.5 | 132.2 | 136.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 314 | Q | 30.6 | Very low | 38.6 | Very low | 168 Ų | 168 | 156.1 Ų | 156.1 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | | 50.9 | 128.3 | 88.1 | -88.4 | -171.1 | -92.9 | 0 | 0 | 113.1 | | |
| 315 | D | 32.9 | Very low | 38.2 | Very low | 116 Ų | 116 | 156.4 Ų | 156.4 | 62% | 0.62 | 80% | 0.804 | S | S | * | * | | | cis | -147.8 | 173.6 | 29.8 | -89.9 | -51 | 0 | 0 | 0 | 116.6 | | |
| 316 | H | 37.2 | Very low | 38 | Very low | 151 Ų | 151 | 151 Ų | 151 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | | | trans | -14.2 | 127.3 | 165.8 | -52.6 | -78.8 | 0 | 0 | 0 | 119.9 | | |
| 317 | N | 32 | Very low | 37.8 | Very low | 159 Ų | 159 | 153.8 Ų | 153.8 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | | | | -179.9 | 156.2 | 111.7 | -97.2 | -62.7 | 0 | 0 | 0 | 111.8 | | |
| 318 | T | 37.3 | Very low | 37.4 | Very low | 128 Ų | 128 | 151.9 Ų | 151.9 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | | | trans | -126.9 | 130.9 | 174.4 | -58.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 319 | P | 42 | Very low | 37.1 | Very low | 122 Ų | 122 | 155.3 Ų | 155.3 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | | | | -141.4 | 140.3 | 113.5 | 35 | -21.2 | 0 | 0 | 0 | 115 | | |
| 320 | A | 34.2 | Very low | 36.7 | Very low | 93 Ų | 93 | 149.7 Ų | 149.7 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | 59.7 | 142.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 321 | P | 40.2 | Very low | 37 | Very low | 126 Ų | 126 | 153.8 Ų | 153.8 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 124.2 | -174 | 35.5 | -30.8 | 0 | 0 | 0 | 113.1 | | |
| 322 | L | 35.6 | Very low | 37.7 | Very low | 174 Ų | 174 | 149 Ų | 149 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -94 | 140 | 160.2 | -88.2 | 167.5 | 0 | 0 | 0 | 111.1 | | |
| 323 | L | 36.3 | Very low | 37.5 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 88% | 0.88 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -70 | 140.1 | -162.7 | -63.3 | 159.7 | 0 | 0 | 0 | 112.6 | | |
| 324 | K | 39.5 | Very low | 38.3 | Very low | 195 Ų | 195 | 145.2 Ų | 145.2 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | | | trans | -108.3 | 129.4 | 163 | -71 | -176.3 | 179.1 | -180 | 0 | 109.3 | | |
| 325 | P | 37.5 | Very low | 38.8 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | | | trans | -71.5 | 138.4 | 176.4 | 29.9 | -33.5 | 0 | 0 | 0 | 110.3 | | |
| 326 | S | 35.5 | Very low | 39.6 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | | | trans | -118.2 | 108.2 | 171.9 | 63.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 327 | L | 38.3 | Very low | 40.3 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 95% | 0.953 | 82% | 0.821 | S | S | * | * | | | trans | -111.9 | 131.8 | 162 | -92.7 | 126.1 | 0 | 0 | 0 | 107.4 | | |
| 328 | G | 34.3 | Very low | 41.5 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | | | cis | -162.3 | 149.6 | -9.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 329 | R | 38.2 | Very low | 42 | Very low | 244 Ų | 244 | 140.4 Ų | 140.4 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | | | trans | -126.9 | 142.1 | 170.1 | -127.4 | 179 | -177.3 | -134.1 | 0.5 | 108.7 | | |
| 330 | S | 39.2 | Very low | 42.2 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -66.5 | 141 | -161.9 | 32.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 331 | Y | 46.9 | Very low | 43 | Very low | 229 Ų | 229 | 140.1 Ų | 140.1 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | | | trans | -65.2 | 133.6 | 175.5 | -60.4 | -90.8 | 0 | 0 | 0 | 112.5 | | |
| 332 | S | 45.1 | Very low | 42.9 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | | | trans | 175.6 | 61 | 151 | 36.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 333 | C | 40 | Very low | 43.3 | Very low | 123 Ų | 123 | 135 Ų | 135 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | | | trans | -144.9 | 138.5 | 159.2 | -82.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 334 | P | 52.4 | Low | 43.3 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | | | trans | -71 | 136.8 | 164 | 30.8 | -32 | 0 | 0 | 0 | 109.5 | | |
| 335 | D | 39.7 | Very low | 43.4 | Very low | 152 Ų | 152 | 129.9 Ų | 129.9 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | | | trans | -77.6 | 122.5 | -179.9 | -170 | 15.2 | 0 | 0 | 0 | 110.3 | | |
| 336 | L | 50.4 | Low | 43.5 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | trans | -105.6 | 100.8 | 165.8 | -67 | -177.6 | 0 | 0 | 0 | 106.4 | | |
| 337 | G | 51.4 | Low | 44 | Very low | 49 Ų | 49 | 133.9 Ų | 133.9 | 51% | 0.505 | 80% | 0.8 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 165.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 338 | P | 57 | Low | 44.4 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 140.2 | -171.5 | 25.6 | -34.6 | 0 | 0 | 0 | 112.2 | G340 | P338-G340 PolarHBondContact O-N 3.31Š|
| 339 | P | 49.3 | Very low | 44.6 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 129.2 | 177.5 | 28.2 | -33.8 | 0 | 0 | 0 | 110.6 | | |
| 340 | G | 44.6 | Very low | 45.1 | Very low | 62 Ų | 62 | 126 Ų | 126 | 64% | 0.639 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 157.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P338 G342 | P338-G340 PolarHBondContact O-N 3.31Å; G340-G342 PolarHBondContact O-N 3.33Å |
| 341 | P | 52.1 | Low | 45.4 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 95% | 0.948 | 78% | 0.783 | S | S | * | * | | | trans | -75.8 | 106.3 | -178.5 | 30.7 | -33.2 | 0 | 0 | 0 | 110.8 | | |
| 342 | G | 37.8 | Very low | 45.3 | Very low | 59 Ų | 59 | 123.4 Ų | 123.4 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | | | trans | -159.3 | 87.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G340 | G340-G342 PolarHBondContact O-N 3.33Š|
| 343 | T | 44 | Very low | 45.1 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | | | trans | 28.5 | 105.7 | 150.1 | 52.8 | 0 | 0 | 0 | 0 | 119.1 | | |
| 344 | C | 35.9 | Very low | 45.5 | Very low | 120 Ų | 120 | 123 Ų | 123 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | | | trans | -142 | 88.9 | 154.1 | -89.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 345 | T | 42.7 | Very low | 45.3 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -80.7 | 124.3 | 172.2 | -54.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 346 | W | 39.7 | Very low | 45.3 | Very low | 228 Ų | 228 | 127 Ų | 127 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | -138.7 | 146.9 | 163.7 | -75.8 | 99.7 | 0 | 0 | 0 | 110.6 | | |
| 347 | P | 45.7 | Very low | 45 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | | | trans | -88 | 164.7 | -161.2 | 35.8 | -36.6 | 0 | 0 | 0 | 114 | | |
| 348 | P | 46.3 | Very low | 44.8 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | | | trans | -77.1 | 144.6 | 177 | 32.4 | -34.8 | 0 | 0 | 0 | 112.4 | | |
| 349 | A | 38.4 | Very low | 44.2 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | trans | -133.3 | 157.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 350 | P | 47.7 | Very low | 44.1 | Very low | 107 Ų | 107 | 144 Ų | 144 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | | | trans | -86.7 | 166.3 | -145.4 | 33.4 | -38 | 0 | 0 | 0 | 115.9 | | |
| 351 | P | 45.8 | Very low | 44 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | | | trans | -75.7 | 132 | 177.7 | 31.5 | -34.5 | 0 | 0 | 0 | 111.7 | | |
| 352 | Q | 45.1 | Very low | 43.9 | Very low | 173 Ų | 173 | 147.7 Ų | 147.7 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | | | trans | -142.8 | 158.5 | 174 | -78.1 | -57.1 | -54.6 | 0 | 0 | 111.3 | | |
| 353 | P | 41.4 | Very low | 44.3 | Very low | 111 Ų | 111 | 151.2 Ų | 151.2 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | | | trans | -91.8 | 171.8 | -142.8 | 34.7 | -39.2 | 0 | 0 | 0 | 116.8 | | |
| 354 | S | 47.8 | Very low | 44.1 | Very low | 118 Ų | 118 | 148.6 Ų | 148.6 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | -69.9 | 123 | -177.2 | 43 | 0 | 0 | 0 | 0 | 114.5 | | |
| 355 | R | 48.9 | Very low | 44.1 | Very low | 238 Ų | 238 | 146.6 Ų | 146.6 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | | | trans | -139.3 | 152.4 | 157.9 | -82 | -165.1 | 174.5 | -172 | -0.9 | 111.7 | | |
| 356 | P | 40.3 | Very low | 44.5 | Very low | 122 Ų | 122 | 144 Ų | 144 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 147.5 | -164.4 | 30.5 | -35.8 | 0 | 0 | 0 | 114.1 | | |
| 357 | R | 44.2 | Very low | 44.8 | Very low | 242 Ų | 242 | 142.6 Ų | 142.6 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 131.4 | -177.5 | -69 | -176.8 | 179 | -168.1 | -0.4 | 113.4 | | |
| 358 | P | 45.8 | Very low | 45 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 141.7 | 154.1 | -14.3 | 30.3 | 0 | 0 | 0 | 111 | R360 | P358-R360 PolarHBondContact O-N 2.94Š|
| 359 | R | 44 | Very low | 45.2 | Very low | 244 Ų | 244 | 145.5 Ų | 145.5 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | | | trans | -82.3 | 108.6 | -175.7 | -174 | 177.7 | 175.9 | 114.2 | -3.6 | 110.8 | | |
| 360 | R | 47.7 | Very low | 45.9 | Very low | 219 Ų | 219 | 152.4 Ų | 152.4 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | | | trans | -62.8 | 132.6 | 177.4 | -75.2 | -179.2 | 170 | -112.7 | 2 | 112.2 | P358 | P358-R360 PolarHBondContact O-N 2.94Š|
| 361 | H | 42.2 | Very low | 46.2 | Very low | 172 Ų | 172 | 151.4 Ų | 151.4 | 80% | 0.796 | 83% | 0.827 | S | S | * | * | | | trans | -109 | 131.1 | 146.6 | 46 | -81.9 | 0 | 0 | 0 | 106.2 | | |
| 362 | T | 50.9 | Low | 46.7 | Very low | 113 Ų | 113 | 151.6 Ų | 151.6 | 69% | 0.693 | 83% | 0.828 | S | S | * | * | | | trans | -116.4 | 106.7 | 178.3 | -40.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 363 | V | 45.7 | Very low | 47.3 | Very low | 133 Ų | 133 | 148.7 Ų | 148.7 | 81% | 0.806 | 83% | 0.825 | S | S | * | * | | | trans | -90.3 | 128 | 161 | 176.2 | 0 | 0 | 0 | 0 | 106.2 | G365 | V363-G365 PolarHBondContact O-N 2.79Š|
| 364 | G | 39.1 | Very low | 48.3 | Very low | 79 Ų | 79 | 148.8 Ų | 148.8 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | | | trans | -72.2 | 113.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 365 | G | 36.6 | Very low | 48.6 | Very low | 78 Ų | 78 | 149.3 Ų | 149.3 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | | | trans | -116.6 | 125.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | V363 | V363-G365 PolarHBondContact O-N 2.79Š|
| 366 | G | 50.8 | Low | 48.7 | Very low | 81 Ų | 81 | 149.1 Ų | 149.1 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | | | trans | -146.7 | 81.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 367 | E | 46.3 | Very low | 49.4 | Very low | 197 Ų | 197 | 149.3 Ų | 149.3 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | | | trans | -152 | 154.8 | 166.9 | -123.5 | 172.3 | -164.2 | 0 | 0 | 110.1 | | |
| 368 | M | 49.3 | Very low | 49.4 | Very low | 184 Ų | 184 | 143.3 Ų | 143.3 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | | | trans | -74.7 | 154.1 | -156.4 | -68.6 | 171.6 | 155.9 | 0 | 0 | 114.5 | R370 | M368-R370 PolarHBondContact O-N 3.09Š|
| 369 | A | 51.9 | Low | 49.2 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 93% | 0.926 | 83% | 0.826 | S | S | * | * | | | trans | -60.7 | 119.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 370 | R | 51.6 | Low | 49.2 | Very low | 240 Ų | 240 | 145 Ų | 145 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | | | trans | -132.7 | 141.9 | 164.4 | -160.3 | 173.1 | -172.9 | -162.2 | 1.2 | 109.1 | M368 | M368-R370 PolarHBondContact O-N 3.09Š|
| 371 | A | 54.9 | Low | 49 | Very low | 87 Ų | 87 | 143.9 Ų | 143.9 | 72% | 0.719 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 146.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 372 | P | 57 | Low | 48.9 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 137.7 | -179.5 | 27.5 | -34.5 | 0 | 0 | 0 | 111.2 | | |
| 373 | P | 56 | Low | 48.5 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 150.6 | 173.1 | 30.1 | -34.5 | 0 | 0 | 0 | 110.9 | | |
| 374 | P | 62.7 | Low | 48 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 147.6 | 180 | 27.2 | -34.8 | 0 | 0 | 0 | 111.8 | R376 | P374-R376 PolarHBondContact O-N 3.41Š|
| 375 | P | 54.9 | Low | 48.6 | Very low | 128 Ų | 128 | 146 Ų | 146 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 124 | -179.6 | 27.3 | -34 | 0 | 0 | 0 | 110.5 | | |
| 376 | R | 51.2 | Low | 48.8 | Very low | 234 Ų | 234 | 149.9 Ų | 149.9 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 139.3 | 171.9 | -68 | -176.3 | 175.4 | -167.4 | -2.5 | 109.8 | P374 C378 | P374-R376 PolarHBondContact O-N 3.41Å; R376-C378 PolarHBondContact O-N 2.75Å |
| 377 | P | 53.9 | Low | 48.2 | Very low | 127 Ų | 127 | 150 Ų | 150 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 129.4 | 179.1 | 26.6 | -33.7 | 0 | 0 | 0 | 110 | | |
| 378 | C | 44.9 | Very low | 47.5 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 135.7 | 169.7 | 48.5 | 0 | 0 | 0 | 0 | 109.6 | R376 R380 | R376-C378 PolarHBondContact O-N 2.75Å; C378-R380 PolarHBondContact O-N 3.42Å |
| 379 | L | 41.9 | Very low | 47.1 | Very low | 175 Ų | 175 | 145.3 Ų | 145.3 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | | | trans | -59.5 | 103.6 | 174.6 | -101.8 | 148 | 0 | 0 | 0 | 109.2 | K381 | L379-K381 PolarHBondContact O-N 3.23Š|
| 380 | R | 44.2 | Very low | 46.3 | Very low | 226 Ų | 226 | 143.6 Ų | 143.6 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | trans | -55.5 | 133.4 | 164.6 | -106.1 | 179.7 | 158.2 | 145.3 | -5.6 | 107.5 | C378 E382 | C378-R380 PolarHBondContact O-N 3.42Å; R380-E382 PolarHBondContact O-N 3.41Å |
| 381 | K | 43.6 | Very low | 45.5 | Very low | 195 Ų | 195 | 136.5 Ų | 136.5 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | | | trans | -68.1 | 97.5 | 170.4 | -175.4 | 177.1 | -179.6 | -178.6 | 0 | 107.7 | L379 V383 | L379-K381 PolarHBondContact O-N 3.23Å; K381-V383 PolarHBondContact O-N 3.34Å |
| 382 | E | 40.3 | Very low | 44.4 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | | | trans | -60.1 | 122.2 | 174.2 | -67.8 | -177.7 | 162.3 | 0 | 0 | 109.2 | R380 F384 | R380-E382 PolarHBondContact O-N 3.41Å; E382-F384 HydrophobicContact CB-CD2 4.3Å; E382-F384 HydrophobicContact CB-CE2 3.9Å; E382-F384 WeakPolarHBondContact OE2-CE2 3.16Å |
| 383 | V | 42.4 | Very low | 43.8 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 76% | 0.758 | 81% | 0.806 | S | S | * | * | | | trans | -96.6 | 103.3 | 169.6 | 176.5 | 0 | 0 | 0 | 0 | 105.8 | K381 P385 | K381-V383 PolarHBondContact O-N 3.34Å; V383-P385 WeakPolarHBondContact O-CD 3.06Å |
| 384 | F | 35 | Very low | 42.7 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 68% | 0.684 | 81% | 0.811 | S | S | * | * | | | trans | -78.2 | 122.4 | 170.2 | -76.4 | -86.9 | 0 | 0 | 0 | 109.5 | E382 | E382-F384 HydrophobicContact CB-CD2 4.3Å; E382-F384 HydrophobicContact CB-CE2 3.9Å; E382-F384 WeakPolarHBondContact OE2-CE2 3.16Å |
| 385 | P | 52.1 | Low | 41.3 | Very low | 116 Ų | 116 | 141 Ų | 141 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | | | trans | -95.5 | 100.9 | 168.7 | 34.1 | -24.5 | 0 | 0 | 0 | 109.1 | V383 | V383-P385 WeakPolarHBondContact O-CD 3.06Š|
| 386 | L | 40.3 | Very low | 40.3 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | | | trans | -136.7 | 115.6 | 160.5 | -85.4 | 106.3 | 0 | 0 | 0 | 109.8 | | |
| 387 | G | 37.9 | Very low | 39.4 | Very low | 83 Ų | 83 | 135 Ų | 135 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | | | trans | -76.5 | 149.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 388 | G | 32.2 | Very low | 38.2 | Very low | 77 Ų | 77 | 134.1 Ų | 134.1 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | | | trans | -177.4 | 108.9 | 178 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 389 | M | 40.8 | Very low | 37.4 | Very low | 206 Ų | 206 | 134.5 Ų | 134.5 | 100% | 1.015 | 82% | 0.815 | S | S | * | * | | | trans | -68.6 | 129.5 | 177.1 | -165.9 | 87.5 | 77.3 | 0 | 0 | 109.8 | | |
| 390 | G | 34.1 | Very low | 36.8 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | | | trans | -175.4 | 132.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 391 | A | 34.7 | Very low | 36.2 | Very low | 92 Ų | 92 | 127 Ų | 127 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | | | trans | -93.8 | 141.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 392 | S | 31.8 | Very low | 35.8 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | | | trans | 56.2 | 161.5 | 142.8 | -57 | 0 | 0 | 0 | 0 | 121.1 | | |
| 393 | P | 45.6 | Very low | 35.3 | Very low | 125 Ų | 125 | 121.8 Ų | 121.8 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | | | cis | -118.9 | 175.6 | -8.4 | 38.2 | -23.8 | 0 | 0 | 0 | 114 | | |
| 394 | S | 31.1 | Very low | 34.8 | Very low | 117 Ų | 117 | 121.4 Ų | 121.4 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | trans | -84.7 | 136.9 | -176.5 | 46.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 395 | L | 34.8 | Very low | 34.6 | Very low | 169 Ų | 169 | 120.6 Ų | 120.6 | 89% | 0.885 | 83% | 0.827 | S | S | * | * | | | trans | -119.3 | 103 | 166.6 | -107.7 | 159.3 | 0 | 0 | 0 | 109.4 | | |
| 396 | A | 32.7 | Very low | 33.7 | Very low | 101 Ų | 101 | 120.9 Ų | 120.9 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | | | trans | -82.4 | 119.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 397 | T | 34 | Very low | 33.3 | Very low | 134 Ų | 134 | 119.3 Ų | 119.3 | 82% | 0.822 | 83% | 0.834 | S | S | * | * | | | trans | -102.1 | 101.7 | 174.1 | -42.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 398 | S | 27.7 | Very low | 33 | Very low | 109 Ų | 109 | 123.6 Ų | 123.6 | 76% | 0.762 | 83% | 0.83 | S | S | * | * | | | trans | -75.5 | 132.7 | 173.5 | -177 | 0 | 0 | 0 | 0 | 110.9 | | |
| 399 | C | 27.9 | Very low | 33 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 84% | 0.838 | 83% | 0.833 | S | S | * | * | | | trans | -108 | 112.3 | 174.1 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 400 | S | 28.9 | Very low | 32.5 | Very low | 111 Ų | 111 | 124 Ų | 124 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | | | trans | -125.5 | 127 | 170.4 | -77.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 401 | S | 32 | Very low | 32.8 | Very low | 131 Ų | 131 | 126.3 Ų | 126.3 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | | | trans | -75.1 | 125.8 | -179.2 | -53.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 402 | T | 34.9 | Very low | 32.6 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | | | trans | -99.5 | 115.8 | 169.2 | 52.8 | 0 | 0 | 0 | 0 | 111 | | |
| 403 | A | 31.3 | Very low | 32.8 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | | | trans | -75.5 | 138.3 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 404 | S | 32 | Very low | 32.2 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | | | trans | -117.5 | 118.5 | 176 | -60.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 405 | T | 30.6 | Very low | 32.4 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | | | trans | -81 | 141.7 | 172.6 | 46.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 406 | S | 32.3 | Very low | 32.3 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | | | trans | -66.1 | 143 | 172.9 | 48 | 0 | 0 | 0 | 0 | 112.4 | | |
| 407 | S | 32 | Very low | 32 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | | | trans | -138.3 | 152.9 | 159.4 | -167.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 408 | F | 31.3 | Very low | 32 | Very low | 174 Ų | 174 | 129.2 Ų | 129.2 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | trans | -111.2 | 143.7 | -165 | -164 | -90 | 0 | 0 | 0 | 109.2 | | |
| 409 | S | 32 | Very low | 32.4 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | -155.6 | 140.6 | 166.4 | -72.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 410 | E | 29.8 | Very low | 32.6 | Very low | 169 Ų | 169 | 134 Ų | 134 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | | | trans | -101.2 | 155.7 | -169.6 | -166.3 | 166.2 | 150.5 | 0 | 0 | 110.2 | | |
| 411 | P | 40.5 | Very low | 32.7 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | | | trans | -94 | 152.2 | -167.7 | 35.9 | -34 | 0 | 0 | 0 | 114.3 | | |
| 412 | A | 30.8 | Very low | 32.7 | Very low | 99 Ų | 99 | 136 Ų | 136 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -135.8 | 141.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 413 | E | 36.4 | Very low | 32.6 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 66% | 0.664 | 81% | 0.812 | S | S | * | * | | | trans | -61.1 | 159.1 | 174.5 | -80.8 | 175.9 | 104.6 | 0 | 0 | 112.1 | R415 | E413-R415 WeakPolarHBondContact OE1-CG 3.43Å; E413-R415 IonicContact OE1-CZ 3.55Å; E413-R415 IonicContact OE1-NE 3.36Å; E413-R415 PolarHBondContact OE1-NE 3.17Å; E413-R415 IonicContact OE1-NH2 3.37Å; E413-R415 PolarHBondContact OE1-NH2 3.42Å |
| 414 | P | 32.9 | Very low | 33.1 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | | -131.2 | 142 | 119.1 | 35.8 | -28.9 | 0 | 0 | 0 | 113.5 | | |
| 415 | R | 35.1 | Very low | 33 | Very low | 193 Ų | 193 | 143.7 Ų | 143.7 | 73% | 0.728 | 81% | 0.807 | S | S | * | * | | | trans | -103.1 | 140.3 | 167.2 | -53.8 | -178.7 | -178.1 | -174.5 | 2 | 109.6 | E413 | E413-R415 WeakPolarHBondContact OE1-CG 3.43Å; E413-R415 IonicContact OE1-CZ 3.55Å; E413-R415 IonicContact OE1-NE 3.36Å; E413-R415 PolarHBondContact OE1-NE 3.17Å; E413-R415 IonicContact OE1-NH2 3.37Å; E413-R415 PolarHBondContact OE1-NH2 3.42Å |
| 416 | L | 33.7 | Very low | 32.9 | Very low | 173 Ų | 173 | 141.6 Ų | 141.6 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | | | | 172.3 | 146.1 | 116.3 | -121.6 | 70.2 | 0 | 0 | 0 | 113.4 | | |
| 417 | G | 26.4 | Very low | 33 | Very low | 76 Ų | 76 | 142 Ų | 142 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | | | trans | 83.6 | 145.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 418 | S | 34.3 | Very low | 33.3 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | | | cis | -162.5 | 127.7 | -7.8 | -166.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 419 | T | 34.3 | Very low | 33.6 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | | | trans | 50.3 | 144.2 | 146.2 | 63.7 | 0 | 0 | 0 | 0 | 124.9 | | |
| 420 | K | 34.2 | Very low | 33.8 | Very low | 212 Ų | 212 | 145.2 Ų | 145.2 | 92% | 0.922 | 80% | 0.799 | S | S | * | * | | | trans | 69.1 | 136 | 167.2 | -63.8 | -172.8 | 176.3 | -178.8 | 0 | 116.5 | | |
| 421 | G | 29.6 | Very low | 34 | Very low | 72 Ų | 72 | 143.2 Ų | 143.2 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | | | cis | 161.2 | 151.5 | -6.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 422 | K | 32.7 | Very low | 34 | Very low | 213 Ų | 213 | 145.3 Ų | 145.3 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | | | trans | 72.3 | 99.2 | 177.3 | -66.9 | -167.8 | 173.1 | -171.7 | 0 | 119.5 | | |
| 423 | E | 33.2 | Very low | 34.1 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | | -81.3 | 160.6 | 126.9 | -174.6 | 176.2 | 178.1 | 0 | 0 | 107 | | |
| 424 | P | 41.1 | Very low | 34.2 | Very low | 106 Ų | 106 | 146.6 Ų | 146.6 | 69% | 0.688 | 81% | 0.808 | S | S | * | * | | | cis | -141.1 | 164.5 | 31.6 | 20.6 | 8.1 | 0 | 0 | 0 | 121.9 | | |
| 425 | R | 29.6 | Very low | 34.8 | Very low | 229 Ų | 229 | 145.8 Ų | 145.8 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | 71.2 | 122.2 | 138.2 | -76.8 | 178.4 | -172.5 | -133.2 | 5 | 123.1 | | |
| 426 | A | 28.3 | Very low | 35.1 | Very low | 97 Ų | 97 | 143.5 Ų | 143.5 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | | 66.8 | 117.5 | 120.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 427 | S | 35.2 | Very low | 35.6 | Very low | 128 Ų | 128 | 142 Ų | 142 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | | | | -146.3 | 159.2 | 125.6 | 46.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 428 | K | 38.7 | Very low | 36.9 | Very low | 196 Ų | 196 | 146.9 Ų | 146.9 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | | | trans | -140.3 | 103.7 | -168.6 | 174 | -165.6 | -178.9 | -175.1 | 0 | 108 | | |
| 429 | D | 36.1 | Very low | 37.6 | Very low | 142 Ų | 142 | 148.5 Ų | 148.5 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | | | trans | -171.9 | 147.2 | 168.2 | -83.8 | -42.9 | 0 | 0 | 0 | 105.9 | | |
| 430 | Q | 38 | Very low | 38.3 | Very low | 152 Ų | 152 | 150.8 Ų | 150.8 | 71% | 0.71 | 81% | 0.81 | S | S | * | * | | | cis | -169.9 | 144.2 | -13.2 | -115.2 | -178.5 | 79.3 | 0 | 0 | 105.1 | | |
| 431 | V | 32.7 | Very low | 39.1 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | | | trans | 67.2 | 133.1 | 141.1 | -179.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 432 | L | 40.2 | Very low | 40.5 | Very low | 168 Ų | 168 | 149.8 Ų | 149.8 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | | | trans | -44 | 133.9 | 176.4 | -72 | 151.5 | 0 | 0 | 0 | 116.1 | | |
| 433 | S | 33.1 | Very low | 41.6 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -156 | 110.8 | 137.1 | 37.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 434 | D | 38.8 | Very low | 42.9 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | | | trans | -91.4 | 152.6 | 148 | -104.4 | -43.2 | 0 | 0 | 0 | 106.1 | | |
| 435 | P | 45 | Very low | 43.9 | Very low | 111 Ų | 111 | 148.2 Ų | 148.2 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | | | cis | -145.5 | 165.5 | 47.3 | 39.2 | -19.4 | 0 | 0 | 0 | 118.3 | | |
| 436 | E | 41.1 | Very low | 45.4 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | 46.3 | 97 | 147.6 | -67.2 | -167.7 | -176.5 | 0 | 0 | 119.6 | K438 | E436-K438 IonicContact OE2-NZ 2.81Š|
| 437 | T | 44.3 | Very low | 47.1 | Very low | 143 Ų | 143 | 151.7 Ų | 151.7 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | | | trans | -125.5 | 135.9 | 138.1 | 50.8 | 0 | 0 | 0 | 0 | 112 | T439 | T437-T439 PolarHBondContact O-N 3.3Š|
| 438 | K | 54 | Low | 48.8 | Very low | 178 Ų | 178 | 151.8 Ų | 151.8 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | | | trans | -90.2 | 95.6 | -164.3 | -67.1 | 153.7 | -174.7 | 162.3 | 0 | 110.5 | E436 | E436-K438 IonicContact OE2-NZ 2.81Š|
| 439 | T | 48.9 | Very low | 50.2 | Low | 136 Ų | 136 | 153.1 Ų | 153.1 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | | | trans | -93.3 | 115.2 | 151 | 53.3 | 0 | 0 | 0 | 0 | 108.4 | T437 G441 | T437-T439 PolarHBondContact O-N 3.3Å; T439-G441 PolarHBondContact O-N 3.41Å |
| 440 | I | 50.6 | Low | 51.7 | Low | 168 Ų | 168 | 156.6 Ų | 156.6 | 86% | 0.862 | 78% | 0.783 | S | S | * | * | | | trans | -71.1 | 82.9 | 175.8 | -111.6 | 161.6 | 0 | 0 | 0 | 108 | K442 | I440-K442 PolarHBondContact O-N 3.22Š|
| 441 | G | 50.9 | Low | 53 | Low | 56 Ų | 56 | 155 Ų | 155 | 58% | 0.577 | 78% | 0.784 | S | S | * | * | | | trans | -59.8 | 119.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | T439 V443 | T439-G441 PolarHBondContact O-N 3.41Å; G441-V443 PolarHBondContact O-N 3.05Å |
| 442 | K | 59.1 | Low | 54.5 | Low | 208 Ų | 208 | 154.2 Ų | 154.2 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | | | trans | -56.5 | 95.9 | 179.4 | -68 | 170 | -179.3 | 170.9 | 0 | 109.2 | I440 S444 | I440-K442 PolarHBondContact O-N 3.22Å; K442-S444 PolarHBondContact O-N 3.41Å |
| 443 | V | 54.9 | Low | 55.6 | Low | 131 Ų | 131 | 150.8 Ų | 150.8 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | -58.1 | 114.6 | 174.9 | -178.4 | 0 | 0 | 0 | 0 | 106.9 | G441 R445 | G441-V443 PolarHBondContact O-N 3.05Å; V443-R445 PolarHBondContact O-N 3.03Å |
| 444 | S | 59.8 | Low | 57.1 | Low | 80 Ų | 80 | 155.1 Ų | 155.1 | 56% | 0.559 | 78% | 0.775 | S | S | * | * | | | trans | -53.1 | 112.6 | -175.3 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | K442 F446 | K442-S444 PolarHBondContact O-N 3.41Å; S444-F446 PolarHBondContact O-N 3.33Å |
| 445 | R | 62.8 | Low | 58.2 | Low | 249 Ų | 249 | 152.4 Ų | 152.4 | 94% | 0.94 | 77% | 0.766 | S | S | * | * | | | trans | -68.2 | -0.8 | 177.4 | -71.2 | -174.4 | 176.2 | -178.6 | -1 | 112.8 | V443 R447 | V443-R445 PolarHBondContact O-N 3.03Å; R445-R447 PolarHBondContact O-N 3.47Å; R445-R447 VanDerWaalsContact O-N 3.07Å |
| 446 | F | 61.5 | Low | 59 | Low | 167 Ų | 167 | 154.1 Ų | 154.1 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | | | trans | -70 | 101.6 | 165.7 | -69.7 | -84 | 0 | 0 | 0 | 109.5 | S444 I448 | S444-F446 PolarHBondContact O-N 3.33Å; F446-I448 PolarHBondContact O-N 3.21Å |
| 447 | R | 64.1 | Low | 60.2 | Low | 231 Ų | 231 | 152.8 Ų | 152.8 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | | | trans | -56.2 | 95.7 | 154.4 | -82.5 | 172 | 71.5 | 164.9 | 2.3 | 107 | R445 R449 | R445-R447 PolarHBondContact O-N 3.47Å; R445-R447 VanDerWaalsContact O-N 3.07Å; R447-R449 VanDerWaalsContact C-N 3.27Å; R447-R449 PolarHBondContact O-N 2.75Å |
| 448 | I | 70.5 | Confident | 61.3 | Low | 131 Ų | 131 | 152 Ų | 152 | 67% | 0.672 | 75% | 0.751 | S | S | * | * | | | trans | -60.6 | 99.2 | 168.9 | -54 | 178 | 0 | 0 | 0 | 105.5 | F446 R450 | F446-I448 PolarHBondContact O-N 3.21Å; I448-R450 HydrophobicContact CG2-CG 3.72Å; I448-R450 PolarHBondContact O-N 2.91Å |
| 449 | R | 67.6 | Low | 62.6 | Low | 223 Ų | 223 | 145.6 Ų | 145.6 | 84% | 0.842 | 73% | 0.726 | S | S | * | * | | | trans | -66.3 | 81.3 | 163 | -77.4 | -178.8 | 161 | -171.1 | -5 | 106 | R447 T451 | R447-R449 VanDerWaalsContact C-N 3.27Å; R447-R449 PolarHBondContact O-N 2.75Å; R449-T451 PolarHBondContact O-N 3.45Å; R449-T451 PolarHBondContact O-OG1 3.45Å |
| 450 | R | 66.9 | Low | 64.2 | Low | 216 Ų | 216 | 141.1 Ų | 141.1 | 82% | 0.815 | 70% | 0.698 | S | S | * | * | | | trans | -64.8 | 75.5 | 163.1 | -74.7 | -169.9 | 175.1 | 175.4 | -1.2 | 106.8 | I448 P452 | I448-R450 HydrophobicContact CG2-CG 3.72Å; I448-R450 PolarHBondContact O-N 2.91Å; R450-P452 WeakPolarHBondContact O-CD 3.48Å |
| 451 | T | 66 | Low | 65.7 | Low | 119 Ų | 119 | 139.2 Ų | 139.2 | 73% | 0.73 | 70% | 0.697 | S | S | * | * | | | trans | -64.8 | 108.8 | 162.6 | -41.5 | 0 | 0 | 0 | 0 | 104.2 | R449 A453 | R449-T451 PolarHBondContact O-N 3.45Å; R449-T451 PolarHBondContact O-OG1 3.45Å; T451-A453 PolarHBondContact O-N 3.49Å |
| 452 | P | 64.3 | Low | 67.3 | Low | 110 Ų | 110 | 144.1 Ų | 144.1 | 71% | 0.714 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 141 | -178.2 | 25.4 | -33.5 | 0 | 0 | 0 | 108.6 | R450 R454 | R450-P452 WeakPolarHBondContact O-CD 3.48Å; P452-R454 PolarHBondContact O-N 3.03Å |
| 453 | A | 63.9 | Low | 68.4 | Low | 95 Ų | 95 | 136.3 Ų | 136.3 | 79% | 0.785 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 128.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | T451 P455 | T451-A453 PolarHBondContact O-N 3.49Å; A453-P455 WeakPolarHBondContact O-CD 3.46Å; A453-P455 VanDerWaalsContact O-N 3.07Å |
| 454 | R | 64.2 | Low | 69.8 | Low | 209 Ų | 209 | 135.5 Ų | 135.5 | 79% | 0.789 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 116.9 | -172.5 | -173.8 | 177.8 | -174.6 | 175.2 | 0.9 | 108.6 | P452 Q456 | P452-R454 PolarHBondContact O-N 3.03Å; R454-Q456 PolarHBondContact O-N 3.02Å |
| 455 | P | 61.6 | Low | 71 | Confident | 95 Ų | 95 | 136.6 Ų | 136.6 | 62% | 0.617 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 144 | -177.5 | 23.7 | -33.2 | 0 | 0 | 0 | 109.4 | A453 L457 | A453-P455 WeakPolarHBondContact O-CD 3.46Å; A453-P455 VanDerWaalsContact O-N 3.07Å; P455-L457 PolarHBondContact O-N 3.33Å |
| 456 | Q | 61.7 | Low | 71.9 | Confident | 146 Ų | 146 | 130.8 Ų | 130.8 | 68% | 0.682 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 128.8 | -172.4 | -64.9 | 178.7 | -5.3 | 0 | 0 | 110.8 | R454 N458 L459 | R454-Q456 PolarHBondContact O-N 3.02Å; Q456-N458 PolarHBondContact O-N 2.8Å; Q456-L459 HydrophobicContact CB-CD1 4.2Å; Q456-L459 HydrophobicContact CB-CG 4.19Å; Q456-L459 PolarHBondContact O-N 3.19Å |
| 457 | L | 66.3 | Low | 72.7 | Confident | 118 Ų | 118 | 128.3 Ų | 128.3 | 62% | 0.618 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -24.2 | -166 | -75.9 | 165.7 | 0 | 0 | 0 | 114.4 | P455 | P455-L457 PolarHBondContact O-N 3.33Š|
| 458 | N | 67.4 | Low | 73.3 | Confident | 125 Ų | 125 | 124.9 Ų | 124.9 | 67% | 0.668 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 2.6 | -176.9 | -59.9 | -27 | 0 | 0 | 0 | 114 | Q456 P465 R466 | Q456-N458 PolarHBondContact O-N 2.8Å; N458-P465 CarbonylContact O-C 3.6Å; N458-R466 WeakPolarHBondContact O-CB 3.49Å; N458-R466 WeakPolarHBondContact O-CG 3.5Å; N458-R466 PolarHBondContact O-N 2.87Å |
| 459 | L | 80.6 | Confident | 73.4 | Confident | 45 Ų | 45 | 129.3 Ų | 129.3 | 24% | 0.236 | 67% | 0.665 | C | S | . | * | B | Isolated β-bridge | trans | -109.9 | 138.5 | -179 | -56 | -174.8 | 0 | 0 | 0 | 112.6 | Q456 G463 L464 P465 R466 | Q456-L459 HydrophobicContact CB-CD1 4.2Å; Q456-L459 HydrophobicContact CB-CG 4.19Å; Q456-L459 PolarHBondContact O-N 3.19Å; L459-G463 WeakPolarHBondContact CD2-O 3.43Å; L459-L464 CarbonylContact C-O 3.6Å; L459-L464 WeakPolarHBondContact CA-O 3.48Å; L459-P465 HydrophobicContact CD2-CG 4.41Å; L459-R466 VanDerWaalsContact C-NE 3.31Å; L459-R466 VanDerWaalsContact O-CZ 3.25Å; L459-R466 PolarHBondContact O-NE 3.49Å; L459-R466 PolarHBondContact O-NH2 3.27Å |
| 460 | T | 83.8 | Confident | 73.6 | Confident | 41 Ų | 41 | 124.9 Ų | 124.9 | 25% | 0.252 | 66% | 0.657 | S | S | . | * | | | trans | -61.8 | 164.2 | 167.6 | 60 | 0 | 0 | 0 | 0 | 110.1 | M462 G463 L464 R466 | T460-M462 PolarHBondContact O-N 3.41Å; T460-M462 PolarHBondContact OG1-N 3.05Å; T460-G463 PolarHBondContact O-N 2.93Å; T460-L464 WeakPolarHBondContact CG2-O 3.38Å; T460-L464 PolarHBondContact N-O 3.38Å; T460-L464 WeakPolarHBondContact OG1-CB 3.42Å; T460-L464 PolarHBondContact OG1-N 2.97Å; T460-L464 VanDerWaalsContact OG1-N 3.15Å; T460-L464 PolarHBondContact OG1-O 2.85Å; T460-R466 HydrophobicContact CG2-CG 3.9Å |
| 461 | P | 82.3 | Confident | 73.7 | Confident | 128 Ų | 128 | 120.3 Ų | 120.3 | 83% | 0.831 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -20 | 171.8 | -26.2 | 36.2 | 0 | 0 | 0 | 114.3 | | |
| 462 | M | 84.7 | Confident | 74 | Confident | 159 Ų | 159 | 123.8 Ų | 123.8 | 78% | 0.783 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 10.5 | 175.4 | -61.1 | -54.6 | -58.2 | 0 | 0 | 113.9 | T460 L464 | T460-M462 PolarHBondContact O-N 3.41Å; T460-M462 PolarHBondContact OG1-N 3.05Å; M462-L464 PolarHBondContact O-N 3.17Å; M462-L464 VanDerWaalsContact O-N 3.15Å |
| 463 | G | 82 | Confident | 74.2 | Confident | 44 Ų | 44 | 127.4 Ų | 127.4 | 45% | 0.454 | 66% | 0.659 | S | S | . | * | S | Bend | trans | 75.4 | -6.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L459 T460 | L459-G463 WeakPolarHBondContact CD2-O 3.43Å; T460-G463 PolarHBondContact O-N 2.93Å |
| 464 | L | 84.8 | Confident | 74.4 | Confident | 114 Ų | 114 | 130.1 Ų | 130.1 | 60% | 0.597 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -75 | 143.8 | 177.5 | -58.4 | 176.8 | 0 | 0 | 0 | 111.6 | L459 T460 M462 R466 | L459-L464 CarbonylContact C-O 3.6Å; L459-L464 WeakPolarHBondContact CA-O 3.48Å; T460-L464 WeakPolarHBondContact CG2-O 3.38Å; T460-L464 PolarHBondContact N-O 3.38Å; T460-L464 WeakPolarHBondContact OG1-CB 3.42Å; T460-L464 PolarHBondContact OG1-N 2.97Å; T460-L464 VanDerWaalsContact OG1-N 3.15Å; T460-L464 PolarHBondContact OG1-O 2.85Å; M462-L464 PolarHBondContact O-N 3.17Å; M462-L464 VanDerWaalsContact O-N 3.15Å; L464-R466 PolarHBondContact O-N 3.36Å |
| 465 | P | 84.8 | Confident | 74.5 | Confident | 104 Ų | 104 | 126.3 Ų | 126.3 | 68% | 0.675 | 65% | 0.645 | S | S | * | * | B | Isolated β-bridge | trans | -52.3 | 129.1 | 171.9 | -26.9 | 35.4 | 0 | 0 | 0 | 112.4 | N458 L459 | N458-P465 CarbonylContact O-C 3.6Å; L459-P465 HydrophobicContact CD2-CG 4.41Å |
| 466 | R | 81 | Confident | 75.2 | Confident | 127 Ų | 127 | 124 Ų | 124 | 48% | 0.479 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -68.8 | 135.5 | 171.9 | -67.3 | -177.7 | -172.1 | -158.2 | 1.1 | 108.5 | N458 L459 T460 L464 I468 | N458-R466 WeakPolarHBondContact O-CB 3.49Å; N458-R466 WeakPolarHBondContact O-CG 3.5Å; N458-R466 PolarHBondContact O-N 2.87Å; L459-R466 VanDerWaalsContact C-NE 3.31Å; L459-R466 VanDerWaalsContact O-CZ 3.25Å; L459-R466 PolarHBondContact O-NE 3.49Å; L459-R466 PolarHBondContact O-NH2 3.27Å; T460-R466 HydrophobicContact CG2-CG 3.9Å; L464-R466 PolarHBondContact O-N 3.36Å; R466-I468 PolarHBondContact O-N 2.9Å; R466-I468 VanDerWaalsContact O-N 3.17Å |
| 467 | P | 78.9 | Confident | 76 | Confident | 114 Ų | 114 | 122.3 Ų | 122.3 | 74% | 0.74 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -53 | 124.3 | 168.7 | -26.5 | 35 | 0 | 0 | 0 | 110.3 | R469 | P467-R469 PolarHBondContact O-N 3.5Š|
| 468 | I | 75.7 | Confident | 76.4 | Confident | 159 Ų | 159 | 122.7 Ų | 122.7 | 82% | 0.815 | 62% | 0.624 | S | S | * | * | | | trans | -64.6 | 109.6 | -179.3 | -61 | 173.5 | 0 | 0 | 0 | 107.8 | R466 L470 | R466-I468 PolarHBondContact O-N 2.9Å; R466-I468 VanDerWaalsContact O-N 3.17Å; I468-L470 PolarHBondContact O-N 3.29Å |
| 469 | R | 73.5 | Confident | 77 | Confident | 224 Ų | 224 | 121.4 Ų | 121.4 | 85% | 0.845 | 61% | 0.614 | S | S | * | * | | | trans | -81.4 | 103 | 171.4 | -75.5 | -177.3 | 157.6 | 133 | -1.9 | 107.6 | P467 N471 | P467-R469 PolarHBondContact O-N 3.5Å; R469-N471 PolarHBondContact O-N 2.89Å |
| 470 | L | 71.6 | Confident | 76.7 | Confident | 130 Ų | 130 | 122 Ų | 122 | 68% | 0.681 | 62% | 0.617 | S | S | * | * | | | trans | -50.7 | 129.6 | 169.5 | -60.8 | 179.9 | 0 | 0 | 0 | 109.1 | I468 K472 | I468-L470 PolarHBondContact O-N 3.29Å; L470-K472 PolarHBondContact O-N 2.92Å |
| 471 | N | 68.7 | Low | 76 | Confident | 121 Ų | 121 | 127.4 Ų | 127.4 | 65% | 0.647 | 63% | 0.634 | S | S | * | * | | | trans | -69.7 | 101.2 | -179 | -75.5 | -49.8 | 0 | 0 | 0 | 108.6 | R469 K473 E474 | R469-N471 PolarHBondContact O-N 2.89Å; N471-K473 PolarHBondContact O-N 2.75Å; N471-E474 PolarHBondContact O-N 2.93Å |
| 472 | K | 71.7 | Confident | 75.8 | Confident | 192 Ų | 192 | 126.4 Ų | 126.4 | 84% | 0.835 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 16.8 | 176.1 | -55.3 | -176.2 | 178.8 | -175 | 0 | 115.2 | L470 F475 | L470-K472 PolarHBondContact O-N 2.92Å; K472-F475 VanDerWaalsContact O-CD1 3.26Å; K472-F475 WeakPolarHBondContact O-CD1 3.33Å; K472-F475 WeakPolarHBondContact O-CE1 3.28Å |
| 473 | K | 69.3 | Low | 75.5 | Confident | 185 Ų | 185 | 122.6 Ų | 122.6 | 80% | 0.804 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -24.8 | 169.9 | -167.5 | -175.5 | 175.9 | -164.4 | 0 | 111.1 | N471 | N471-K473 PolarHBondContact O-N 2.75Š|
| 474 | E | 67.6 | Low | 75.3 | Confident | 153 Ų | 153 | 130.4 Ų | 130.4 | 72% | 0.715 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -114.2 | 86.2 | 173.3 | -73.2 | 153.1 | -136.7 | 0 | 0 | 106.7 | N471 | N471-E474 PolarHBondContact O-N 2.93Š|
| 475 | F | 65.7 | Low | 74.9 | Confident | 128 Ų | 128 | 131.9 Ų | 131.9 | 56% | 0.561 | 64% | 0.639 | S | S | * | * | | | trans | -98.6 | 128.9 | 167.9 | 26.4 | -105.3 | 0 | 0 | 0 | 107.6 | K472 I480 | K472-F475 VanDerWaalsContact O-CD1 3.26Å; K472-F475 WeakPolarHBondContact O-CD1 3.33Å; K472-F475 WeakPolarHBondContact O-CE1 3.28Å; F475-I480 HydrophobicContact CB-CD1 4.35Å; F475-I480 HydrophobicContact CB-CG1 4.16Å; F475-I480 HydrophobicContact CD2-CD1 3.76Å; F475-I480 HydrophobicContact CD2-CG1 4.47Å; F475-I480 HydrophobicContact CE2-CD1 4.42Å; F475-I480 HydrophobicContact CG-CD1 4.21Å; F475-I480 HydrophobicContact CG-CG1 4.47Å |
| 476 | S | 77.6 | Confident | 74.6 | Confident | 46 Ų | 46 | 131.5 Ų | 131.5 | 32% | 0.322 | 62% | 0.624 | S | S | . | * | | | trans | -68.5 | 150.3 | 167 | 121.8 | 0 | 0 | 0 | 0 | 109 | E478 E479 I480 | S476-E478 WeakPolarHBondContact CB-OE2 3.25Å; S476-E478 PolarHBondContact O-N 2.92Å; S476-E478 WeakPolarHBondContact OG-CB 3.34Å; S476-E478 PolarHBondContact OG-N 3.15Å; S476-E478 PolarHBondContact OG-OE2 2.99Å; S476-E479 PolarHBondContact N-OE2 2.97Å; S476-E479 WeakPolarHBondContact O-CB 3.21Å; S476-E479 PolarHBondContact O-N 2.98Å; S476-E479 PolarHBondContact OG-N 2.79Å; S476-E479 VanDerWaalsContact OG-N 3.15Å; S476-I480 PolarHBondContact O-N 3.12Å |
| 477 | L | 77.6 | Confident | 74.3 | Confident | 111 Ų | 111 | 132.6 Ų | 132.6 | 58% | 0.581 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -61.6 | -37.5 | 177.3 | -73.1 | 171.8 | 0 | 0 | 0 | 110.5 | E479 I480 Y481 | L477-E479 VanDerWaalsContact C-N 3.34Å; L477-E479 PolarHBondContact O-N 3.29Å; L477-I480 WeakPolarHBondContact O-CB 3.48Å; L477-I480 PolarHBondContact O-N 3.19Å; L477-Y481 WeakPolarHBondContact O-CD2 3.36Å; L477-Y481 PolarHBondContact O-N 3.34Å |
| 478 | E | 75.9 | Confident | 74.1 | Confident | 126 Ų | 126 | 130.3 Ų | 130.3 | 59% | 0.589 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.4 | -38.3 | 177 | -54 | 66.8 | -144.6 | 0 | 0 | 111.2 | S476 I480 Y481 T482 | S476-E478 WeakPolarHBondContact CB-OE2 3.25Å; S476-E478 PolarHBondContact O-N 2.92Å; S476-E478 WeakPolarHBondContact OG-CB 3.34Å; S476-E478 PolarHBondContact OG-N 3.15Å; S476-E478 PolarHBondContact OG-OE2 2.99Å; E478-I480 VanDerWaalsContact C-N 3.34Å; E478-I480 PolarHBondContact O-N 2.85Å; E478-Y481 PolarHBondContact O-N 3.15Å; E478-T482 WeakPolarHBondContact O-CB 3.37Å; E478-T482 VanDerWaalsContact O-CG2 3.27Å; E478-T482 WeakPolarHBondContact O-CG2 3.47Å; E478-T482 PolarHBondContact O-N 3.02Å; E478-T482 PolarHBondContact O-OG1 3.29Å |
| 479 | E | 78.9 | Confident | 73.7 | Confident | 98 Ų | 98 | 126.7 Ų | 126.7 | 46% | 0.458 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.9 | -34.8 | 173.5 | -67.2 | -179.9 | 144.4 | 0 | 0 | 112.9 | S476 L477 T482 N483 | S476-E479 PolarHBondContact N-OE2 2.97Å; S476-E479 WeakPolarHBondContact O-CB 3.21Å; S476-E479 PolarHBondContact O-N 2.98Å; S476-E479 PolarHBondContact OG-N 2.79Å; S476-E479 VanDerWaalsContact OG-N 3.15Å; L477-E479 VanDerWaalsContact C-N 3.34Å; L477-E479 PolarHBondContact O-N 3.29Å; E479-T482 WeakPolarHBondContact CA-OG1 3.35Å; E479-N483 WeakPolarHBondContact O-CB 3.22Å; E479-N483 PolarHBondContact O-N 2.71Å; E479-N483 VanDerWaalsContact O-N 3.12Å |
| 480 | I | 75.3 | Confident | 73.6 | Confident | 57 Ų | 57 | 119.8 Ų | 119.8 | 29% | 0.292 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.9 | -44.3 | 176.4 | -61 | 171 | 0 | 0 | 0 | 110.2 | F475 S476 L477 E478 N483 Y486 | F475-I480 HydrophobicContact CB-CD1 4.35Å; F475-I480 HydrophobicContact CB-CG1 4.16Å; F475-I480 HydrophobicContact CD2-CD1 3.76Å; F475-I480 HydrophobicContact CD2-CG1 4.47Å; F475-I480 HydrophobicContact CE2-CD1 4.42Å; F475-I480 HydrophobicContact CG-CD1 4.21Å; F475-I480 HydrophobicContact CG-CG1 4.47Å; S476-I480 PolarHBondContact O-N 3.12Å; L477-I480 WeakPolarHBondContact O-CB 3.48Å; L477-I480 PolarHBondContact O-N 3.19Å; E478-I480 VanDerWaalsContact C-N 3.34Å; E478-I480 PolarHBondContact O-N 2.85Å; I480-N483 WeakPolarHBondContact O-CB 3.4Å; I480-N483 PolarHBondContact O-N 3.33Å; I480-Y486 HydrophobicContact CG2-CD2 4.17Å; I480-Y486 HydrophobicContact CG2-CE2 4.44Å; I480-Y486 WeakPolarHBondContact O-CB 3.42Å |
| 481 | Y | 69.1 | Low | 73.2 | Confident | 155 Ų | 155 | 120.6 Ų | 120.6 | 61% | 0.608 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -81 | -20.7 | -178 | -66.2 | -61.7 | 0 | 0 | 0 | 114.4 | L477 E478 Y486 | L477-Y481 WeakPolarHBondContact O-CD2 3.36Å; L477-Y481 PolarHBondContact O-N 3.34Å; E478-Y481 PolarHBondContact O-N 3.15Å; Y481-Y486 HydrophobicContact CD1-CD1 4.38Å; Y481-Y486 AromaticContact CD1-CE1 3.97Å; Y481-Y486 HydrophobicContact CD1-CE1 3.97Å; Y481-Y486 HydrophobicContact CE1-CE1 4.13Å |
| 482 | T | 77.9 | Confident | 72.9 | Confident | 107 Ų | 107 | 125.9 Ų | 125.9 | 66% | 0.656 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -89 | -7.8 | 171.2 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | E478 E479 K484 | E478-T482 WeakPolarHBondContact O-CB 3.37Å; E478-T482 VanDerWaalsContact O-CG2 3.27Å; E478-T482 WeakPolarHBondContact O-CG2 3.47Å; E478-T482 PolarHBondContact O-N 3.02Å; E478-T482 PolarHBondContact O-OG1 3.29Å; E479-T482 WeakPolarHBondContact CA-OG1 3.35Å; T482-K484 PolarHBondContact O-N 2.97Å |
| 483 | N | 77.6 | Confident | 72.8 | Confident | 80 Ų | 80 | 126 Ų | 126 | 43% | 0.428 | 61% | 0.608 | S | S | . | * | | | trans | -63.9 | 117 | 176.2 | -172.6 | -18.3 | 0 | 0 | 0 | 110.8 | E479 I480 N485 Y486 | E479-N483 WeakPolarHBondContact O-CB 3.22Å; E479-N483 PolarHBondContact O-N 2.71Å; E479-N483 VanDerWaalsContact O-N 3.12Å; I480-N483 WeakPolarHBondContact O-CB 3.4Å; I480-N483 PolarHBondContact O-N 3.33Å; N483-N485 PolarHBondContact O-N 3.29Å; N483-N485 WeakPolarHBondContact OD1-CB 3.46Å; N483-N485 PolarHBondContact OD1-N 2.82Å; N483-N485 PolarHBondContact OD1-ND2 2.82Å; N483-N485 VanDerWaalsContact OD1-ND2 3.12Å; N483-Y486 WeakPolarHBondContact O-CB 3.27Å; N483-Y486 PolarHBondContact O-N 2.92Å |
| 484 | K | 79.1 | Confident | 72.3 | Confident | 208 Ų | 208 | 121.9 Ų | 121.9 | 90% | 0.904 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -13.3 | 179.1 | -61 | -179.7 | -178.8 | 178 | 0 | 114.4 | T482 | T482-K484 PolarHBondContact O-N 2.97Š|
| 485 | N | 75.1 | Confident | 71.7 | Confident | 145 Ų | 145 | 122.7 Ų | 122.7 | 78% | 0.775 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -3.6 | 175 | -51.7 | -75.2 | 0 | 0 | 0 | 113.2 | N483 Q487 | N483-N485 PolarHBondContact O-N 3.29Å; N483-N485 WeakPolarHBondContact OD1-CB 3.46Å; N483-N485 PolarHBondContact OD1-N 2.82Å; N483-N485 PolarHBondContact OD1-ND2 2.82Å; N483-N485 VanDerWaalsContact OD1-ND2 3.12Å; N485-Q487 PolarHBondContact O-N 3.34Å |
| 486 | Y | 77.8 | Confident | 71.2 | Confident | 95 Ų | 95 | 124.7 Ų | 124.7 | 37% | 0.373 | 61% | 0.611 | S | S | . | * | | | trans | -75 | 114.4 | 173.6 | 178.4 | -95.9 | 0 | 0 | 0 | 109.4 | I480 Y481 N483 S488 | I480-Y486 HydrophobicContact CG2-CD2 4.17Å; I480-Y486 HydrophobicContact CG2-CE2 4.44Å; I480-Y486 WeakPolarHBondContact O-CB 3.42Å; Y481-Y486 HydrophobicContact CD1-CD1 4.38Å; Y481-Y486 AromaticContact CD1-CE1 3.97Å; Y481-Y486 HydrophobicContact CD1-CE1 3.97Å; Y481-Y486 HydrophobicContact CE1-CE1 4.13Å; N483-Y486 WeakPolarHBondContact O-CB 3.27Å; N483-Y486 PolarHBondContact O-N 2.92Å; Y486-S488 VanDerWaalsContact CE1-OG 3.28Å; Y486-S488 WeakPolarHBondContact CE1-OG 3.33Å; Y486-S488 PolarHBondContact OH-OG 3.46Å |
| 487 | Q | 75.9 | Confident | 70.2 | Confident | 151 Ų | 151 | 127.4 Ų | 127.4 | 71% | 0.706 | 63% | 0.625 | S | S | * | * | | | trans | -120.8 | 110.7 | 170.7 | -175.7 | 68.8 | 31.2 | 0 | 0 | 107.5 | N485 P489 | N485-Q487 PolarHBondContact O-N 3.34Å; Q487-P489 WeakPolarHBondContact O-CD 3.11Å; Q487-P489 VanDerWaalsContact O-N 3.14Å |
| 488 | S | 74.4 | Confident | 69.3 | Low | 66 Ų | 66 | 128 Ų | 128 | 46% | 0.462 | 63% | 0.628 | S | S | . | * | | | trans | -49 | 121.9 | 171.9 | -65.3 | 0 | 0 | 0 | 0 | 109.5 | Y486 T490 | Y486-S488 VanDerWaalsContact CE1-OG 3.28Å; Y486-S488 WeakPolarHBondContact CE1-OG 3.33Å; Y486-S488 PolarHBondContact OH-OG 3.46Å; S488-T490 PolarHBondContact O-N 2.94Å |
| 489 | P | 67.8 | Low | 68 | Low | 83 Ų | 83 | 130.2 Ų | 130.2 | 54% | 0.539 | 64% | 0.636 | S | S | . | * | | | trans | -56 | 115.4 | -179.5 | -26.8 | 35.1 | 0 | 0 | 0 | 109.8 | Q487 F495 | Q487-P489 WeakPolarHBondContact O-CD 3.11Å; Q487-P489 VanDerWaalsContact O-N 3.14Å; P489-F495 HydrophobicContact CB-CZ 4.39Å; P489-F495 HydrophobicContact CG-CZ 4.38Å |
| 490 | T | 71.4 | Confident | 67 | Low | 78 Ų | 78 | 128.2 Ų | 128.2 | 48% | 0.479 | 63% | 0.627 | S | S | . | * | | | trans | -66.9 | 141.6 | -176.5 | 58.6 | 0 | 0 | 0 | 0 | 109.4 | S488 R492 R493 | S488-T490 PolarHBondContact O-N 2.94Å; T490-R492 PolarHBondContact O-N 3.03Å; T490-R493 PolarHBondContact O-N 3.45Å |
| 491 | T | 62.3 | Low | 66.3 | Low | 147 Ų | 147 | 133.8 Ų | 133.8 | 90% | 0.902 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -7.7 | -177.8 | 46.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 492 | R | 61.9 | Low | 66.1 | Low | 233 Ų | 233 | 129.2 Ų | 129.2 | 88% | 0.879 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -14.9 | 172 | -64 | -173.6 | 174.5 | -151.4 | -3.1 | 113.9 | T490 T494 | T490-R492 PolarHBondContact O-N 3.03Å; R492-T494 PolarHBondContact O-N 3.03Å |
| 493 | R | 69.6 | Low | 65.4 | Low | 195 Ų | 195 | 132 Ų | 132 | 74% | 0.736 | 64% | 0.639 | S | S | * | * | | | trans | -97 | 66.6 | 177 | -167.2 | 177.2 | -173.9 | 148.2 | 3.5 | 109.8 | T490 F495 | T490-R493 PolarHBondContact O-N 3.45Å; R493-F495 PolarHBondContact O-N 3.29Å |
| 494 | T | 59.2 | Low | 65.4 | Low | 97 Ų | 97 | 134.8 Ų | 134.8 | 60% | 0.595 | 65% | 0.65 | S | S | * | * | | | trans | -57.2 | 127.6 | 169.1 | 50.1 | 0 | 0 | 0 | 0 | 109.7 | R492 E496 | R492-T494 PolarHBondContact O-N 3.03Å; T494-E496 PolarHBondContact O-N 3.49Å |
| 495 | F | 54.9 | Low | 65 | Low | 170 Ų | 170 | 133.2 Ų | 133.2 | 75% | 0.746 | 64% | 0.638 | S | S | * | * | | | trans | -61.6 | 124.1 | 175.5 | -67.1 | -83.5 | 0 | 0 | 0 | 110.5 | P489 R493 T497 | P489-F495 HydrophobicContact CB-CZ 4.39Å; P489-F495 HydrophobicContact CG-CZ 4.38Å; R493-F495 PolarHBondContact O-N 3.29Å; F495-T497 PolarHBondContact O-N 3.17Å |
| 496 | E | 55 | Low | 65 | Low | 171 Ų | 171 | 133.6 Ų | 133.6 | 80% | 0.799 | 64% | 0.64 | S | S | * | * | | | trans | -70.9 | 112 | 172.5 | -69.2 | 171.8 | 175.7 | 0 | 0 | 107.9 | T494 I498 | T494-E496 PolarHBondContact O-N 3.49Å; E496-I498 PolarHBondContact O-N 2.93Å |
| 497 | T | 57 | Low | 65.1 | Low | 102 Ų | 102 | 132 Ų | 132 | 63% | 0.626 | 65% | 0.653 | S | S | * | * | | | trans | -83.9 | 115.4 | -173.5 | 10.9 | 0 | 0 | 0 | 0 | 109.9 | F495 F499 | F495-T497 PolarHBondContact O-N 3.17Å; T497-F499 PolarHBondContact O-N 3.49Å |
| 498 | I | 59.5 | Low | 64.9 | Low | 124 Ų | 124 | 129.1 Ų | 129.1 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -72.8 | 25.5 | -169.4 | -28.5 | 177.1 | 0 | 0 | 0 | 113.8 | E496 | E496-I498 PolarHBondContact O-N 2.93Š|
| 499 | F | 47.8 | Very low | 64.9 | Low | 172 Ų | 172 | 130.5 Ų | 130.5 | 75% | 0.754 | 65% | 0.647 | S | S | * | * | | | trans | -130.5 | 70.4 | 180 | -61 | -64.4 | 0 | 0 | 0 | 109.8 | T497 R519 | T497-F499 PolarHBondContact O-N 3.49Å; F499-R519 PolarHBondContact O-NH1 3.24Å; F499-R519 PolarHBondContact O-NH2 3.18Å |
| 500 | E | 58.2 | Low | 65 | Low | 57 Ų | 57 | 129.7 Ų | 129.7 | 27% | 0.266 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -101.1 | 141.2 | 154.1 | -165.7 | 173 | 171.5 | 0 | 0 | 106.7 | S513 | E500-S513 VanDerWaalsContact CD-OG 3.26Å; E500-S513 WeakPolarHBondContact OE1-CB 3.3Å; E500-S513 PolarHBondContact OE1-OG 3.12Å; E500-S513 VanDerWaalsContact OE1-OG 3.12Å; E500-S513 WeakPolarHBondContact OE2-CA 3.15Å; E500-S513 WeakPolarHBondContact OE2-CB 3.49Å; E500-S513 PolarHBondContact OE2-N 3.22Å; E500-S513 PolarHBondContact OE2-OG 3Å |
| 501 | E | 61.6 | Low | 64.6 | Low | 174 Ų | 174 | 131.5 Ų | 131.5 | 81% | 0.813 | 64% | 0.639 | S | S | * | * | | | trans | -60.1 | 136 | 174.3 | -70.7 | 177.9 | 137.4 | 0 | 0 | 109.1 | R503 | E501-R503 WeakPolarHBondContact O-CG 3.3Å; E501-R503 PolarHBondContact O-N 3.19Å |
| 502 | P | 62.9 | Low | 64.6 | Low | 59 Ų | 59 | 129.1 Ų | 129.1 | 38% | 0.383 | 62% | 0.624 | S | S | . | * | | | trans | -60.3 | 111 | -175.9 | 21.3 | -31.2 | 0 | 0 | 0 | 110.6 | L509 F511 | P502-L509 HydrophobicContact CB-CB 4.11Å; P502-L509 HydrophobicContact CB-CD2 4.23Å; P502-F511 HydrophobicContact CB-CD1 3.68Å; P502-F511 HydrophobicContact CB-CD2 4.43Å; P502-F511 HydrophobicContact CB-CE1 3.54Å; P502-F511 HydrophobicContact CB-CE2 4.29Å; P502-F511 HydrophobicContact CB-CG 4.14Å; P502-F511 HydrophobicContact CB-CZ 3.85Å; P502-F511 HydrophobicContact CG-CD1 4.13Å; P502-F511 HydrophobicContact CG-CE1 3.72Å; P502-F511 HydrophobicContact CG-CZ 4.28Å |
| 503 | R | 63.9 | Low | 64.4 | Low | 165 Ų | 165 | 120 Ų | 120 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.9 | 123.4 | 176.2 | -53.5 | -168.2 | 84 | -139.2 | 3.8 | 108 | E501 R505 I510 | E501-R503 WeakPolarHBondContact O-CG 3.3Å; E501-R503 PolarHBondContact O-N 3.19Å; R503-R505 PolarHBondContact O-N 2.7Å; R503-I510 PolarHBondContact N-O 3.49Å; R503-I510 PolarHBondContact O-N 3.5Å |
| 504 | E | 77.3 | Confident | 64 | Low | 138 Ų | 138 | 116.7 Ų | 116.7 | 65% | 0.645 | 60% | 0.603 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.7 | 129.1 | 175 | -163.7 | 179.7 | 156 | 0 | 0 | 110.2 | G507 L509 | E504-G507 VanDerWaalsContact OE1-CA 3.29Å; E504-G507 WeakPolarHBondContact OE1-CA 3.41Å; E504-L509 HydrophobicContact CB-CD2 4.1Å; E504-L509 HydrophobicContact CG-CD2 4.42Å |
| 505 | R | 72.3 | Confident | 64.3 | Low | 176 Ų | 176 | 120.8 Ų | 120.8 | 66% | 0.664 | 61% | 0.608 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -136.2 | 122.3 | 169 | -169.4 | -177.1 | -176.1 | -163.9 | 1.2 | 108 | R503 G507 T508 I510 | R503-R505 PolarHBondContact O-N 2.7Å; R505-G507 PolarHBondContact O-N 2.87Å; R505-T508 PolarHBondContact N-O 3.18Å; R505-T508 PolarHBondContact O-N 3.39Å; R505-I510 HydrophobicContact CB-CD1 3.77Å; R505-I510 HydrophobicContact CB-CG1 4.46Å |
| 506 | N | 73.4 | Confident | 64.5 | Low | 152 Ų | 152 | 120.9 Ų | 120.9 | 81% | 0.813 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55 | 48 | 179.5 | -49.2 | -5.3 | 0 | 0 | 0 | 112.7 | T508 | N506-T508 PolarHBondContact O-N 3.35Å; N506-T508 VanDerWaalsContact O-N 3.16Å |
| 507 | G | 79.9 | Confident | 64.9 | Low | 63 Ų | 63 | 118.5 Ų | 118.5 | 65% | 0.649 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73 | 1.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | E504 R505 | E504-G507 VanDerWaalsContact OE1-CA 3.29Å; E504-G507 WeakPolarHBondContact OE1-CA 3.41Å; R505-G507 PolarHBondContact O-N 2.87Å |
| 508 | T | 72.9 | Confident | 65.2 | Low | 90 Ų | 90 | 125.5 Ų | 125.5 | 55% | 0.552 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.6 | 128.3 | -178.1 | -54.5 | 0 | 0 | 0 | 0 | 110.4 | R505 N506 I510 | R505-T508 PolarHBondContact N-O 3.18Å; R505-T508 PolarHBondContact O-N 3.39Å; N506-T508 PolarHBondContact O-N 3.35Å; N506-T508 VanDerWaalsContact O-N 3.16Å; T508-I510 PolarHBondContact O-N 3.17Å |
| 509 | L | 74.6 | Confident | 65.3 | Low | 94 Ų | 94 | 126.7 Ų | 126.7 | 49% | 0.492 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.8 | 114.2 | 174.9 | -66.6 | 174.2 | 0 | 0 | 0 | 110.5 | P502 E504 F511 | P502-L509 HydrophobicContact CB-CB 4.11Å; P502-L509 HydrophobicContact CB-CD2 4.23Å; E504-L509 HydrophobicContact CB-CD2 4.1Å; E504-L509 HydrophobicContact CG-CD2 4.42Å; L509-F511 HydrophobicContact CB-CE2 3.84Å; L509-F511 HydrophobicContact CB-CZ 4.22Å; L509-F511 WeakPolarHBondContact O-CD2 3.44Å |
| 510 | I | 70.3 | Confident | 66.2 | Low | 66 Ų | 66 | 123.3 Ų | 123.3 | 34% | 0.338 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.7 | 110.6 | 177.8 | -58.1 | -176.7 | 0 | 0 | 0 | 109.1 | R503 R505 T508 T512 | R503-I510 PolarHBondContact N-O 3.49Å; R503-I510 PolarHBondContact O-N 3.5Å; R505-I510 HydrophobicContact CB-CD1 3.77Å; R505-I510 HydrophobicContact CB-CG1 4.46Å; T508-I510 PolarHBondContact O-N 3.17Å; I510-T512 VanDerWaalsContact C-N 3.3Å; I510-T512 VanDerWaalsContact CG2-O 3.28Å; I510-T512 WeakPolarHBondContact CG2-O 3.38Å; I510-T512 PolarHBondContact O-N 3.09Å |
| 511 | F | 62.8 | Low | 66.7 | Low | 117 Ų | 117 | 125.2 Ų | 125.2 | 51% | 0.513 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -84.1 | 0.2 | -179.2 | -63.7 | -95.7 | 0 | 0 | 0 | 114 | P502 L509 | P502-F511 HydrophobicContact CB-CD1 3.68Å; P502-F511 HydrophobicContact CB-CD2 4.43Å; P502-F511 HydrophobicContact CB-CE1 3.54Å; P502-F511 HydrophobicContact CB-CE2 4.29Å; P502-F511 HydrophobicContact CB-CG 4.14Å; P502-F511 HydrophobicContact CB-CZ 3.85Å; P502-F511 HydrophobicContact CG-CD1 4.13Å; P502-F511 HydrophobicContact CG-CE1 3.72Å; P502-F511 HydrophobicContact CG-CZ 4.28Å; L509-F511 HydrophobicContact CB-CE2 3.84Å; L509-F511 HydrophobicContact CB-CZ 4.22Å; L509-F511 WeakPolarHBondContact O-CD2 3.44Å |
| 512 | T | 60.6 | Low | 67.2 | Low | 96 Ų | 96 | 125.1 Ų | 125.1 | 59% | 0.589 | 63% | 0.631 | S | S | * | * | | | trans | -141.4 | 102.4 | -176.2 | 55.8 | 0 | 0 | 0 | 0 | 110.1 | I510 | I510-T512 VanDerWaalsContact C-N 3.3Å; I510-T512 VanDerWaalsContact CG2-O 3.28Å; I510-T512 WeakPolarHBondContact CG2-O 3.38Å; I510-T512 PolarHBondContact O-N 3.09Å |
| 513 | S | 58.9 | Low | 67.5 | Low | 43 Ų | 43 | 130.4 Ų | 130.4 | 30% | 0.301 | 65% | 0.648 | S | S | . | * | | | trans | -76.9 | 146.3 | 164.5 | 84.3 | 0 | 0 | 0 | 0 | 110.2 | E500 R515 | E500-S513 VanDerWaalsContact CD-OG 3.26Å; E500-S513 WeakPolarHBondContact OE1-CB 3.3Å; E500-S513 PolarHBondContact OE1-OG 3.12Å; E500-S513 VanDerWaalsContact OE1-OG 3.12Å; E500-S513 WeakPolarHBondContact OE2-CA 3.15Å; E500-S513 WeakPolarHBondContact OE2-CB 3.49Å; E500-S513 PolarHBondContact OE2-N 3.22Å; E500-S513 PolarHBondContact OE2-OG 3Å; S513-R515 PolarHBondContact O-N 3.38Å; S513-R515 PolarHBondContact OG-N 3.36Å |
| 514 | S | 61.7 | Low | 68.1 | Low | 125 Ų | 125 | 133 Ų | 133 | 87% | 0.874 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -78.3 | 5.9 | 170 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 515 | R | 64 | Low | 67.9 | Low | 182 Ų | 182 | 132 Ų | 132 | 69% | 0.687 | 66% | 0.656 | S | S | * | * | | | trans | -89.5 | 116.4 | -176.4 | -62.6 | -175.4 | 77.3 | -163.3 | 5.7 | 109.7 | S513 L517 | S513-R515 PolarHBondContact O-N 3.38Å; S513-R515 PolarHBondContact OG-N 3.36Å; R515-L517 VanDerWaalsContact C-N 3.34Å; R515-L517 HydrophobicContact CB-CD1 4Å; R515-L517 PolarHBondContact O-N 2.78Å |
| 516 | K | 60.6 | Low | 67.4 | Low | 173 Ų | 173 | 129.8 Ų | 129.8 | 75% | 0.752 | 67% | 0.668 | S | S | * | * | | | trans | -72.7 | 83.1 | 176.4 | -63.7 | -177.6 | 179.8 | -177.7 | 0 | 111.2 | | |
| 517 | L | 63.5 | Low | 67.2 | Low | 121 Ų | 121 | 127.3 Ų | 127.3 | 63% | 0.634 | 66% | 0.663 | S | S | * | * | | | trans | -78.5 | 133.6 | 164.3 | -83.1 | 85.9 | 0 | 0 | 0 | 110.1 | R515 R519 | R515-L517 VanDerWaalsContact C-N 3.34Å; R515-L517 HydrophobicContact CB-CD1 4Å; R515-L517 PolarHBondContact O-N 2.78Å; L517-R519 PolarHBondContact O-N 2.88Å |
| 518 | R | 62 | Low | 66.8 | Low | 249 Ų | 249 | 130.4 Ų | 130.4 | 94% | 0.94 | 66% | 0.664 | S | S | * | * | | | trans | -83 | 112.3 | 166.4 | -55.7 | -171.8 | 81.2 | -167.3 | 3.6 | 107.4 | | |
| 519 | R | 62.3 | Low | 66.4 | Low | 148 Ų | 148 | 132 Ų | 132 | 56% | 0.558 | 68% | 0.675 | S | S | * | * | | | trans | -104.1 | 139.6 | 167.6 | -71.6 | -173.2 | -77.4 | 176.5 | -4.6 | 108.9 | F499 L517 | F499-R519 PolarHBondContact O-NH1 3.24Å; F499-R519 PolarHBondContact O-NH2 3.18Å; L517-R519 PolarHBondContact O-N 2.88Å |
| 520 | A | 66.3 | Low | 66.3 | Low | 102 Ų | 102 | 138.6 Ų | 138.6 | 84% | 0.843 | 69% | 0.694 | S | S | * | * | | | trans | -66.5 | 130.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 521 | V | 69.7 | Low | 66.2 | Low | 97 Ų | 97 | 140.6 Ų | 140.6 | 59% | 0.588 | 71% | 0.714 | S | S | * | * | | | trans | -96.4 | 100.5 | 169.9 | 179.7 | 0 | 0 | 0 | 0 | 106.1 | F523 | V521-F523 HydrophobicContact CB-CE2 4.02Å; V521-F523 HydrophobicContact CB-CZ 4.21Å; V521-F523 HydrophobicContact CG1-CD1 4.33Å; V521-F523 HydrophobicContact CG1-CD2 4.19Å; V521-F523 HydrophobicContact CG1-CE1 3.9Å; V521-F523 HydrophobicContact CG1-CE2 3.73Å; V521-F523 HydrophobicContact CG1-CG 4.47Å; V521-F523 HydrophobicContact CG1-CZ 3.58Å; V521-F523 WeakPolarHBondContact O-CD2 3.5Å; V521-F523 PolarHBondContact O-N 2.65Å |
| 522 | E | 71.4 | Confident | 66.6 | Low | 172 Ų | 172 | 146 Ų | 146 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | | | trans | -74.5 | 107.6 | 171.5 | -169 | -174.2 | 161 | 0 | 0 | 108.3 | R524 | E522-R524 PolarHBondContact O-N 3.21Š|
| 523 | F | 69.8 | Low | 67.1 | Low | 169 Ų | 169 | 152.6 Ų | 152.6 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | | | trans | -81.8 | 114.4 | 170.9 | -63.9 | -85.1 | 0 | 0 | 0 | 107.5 | V521 | V521-F523 HydrophobicContact CB-CE2 4.02Å; V521-F523 HydrophobicContact CB-CZ 4.21Å; V521-F523 HydrophobicContact CG1-CD1 4.33Å; V521-F523 HydrophobicContact CG1-CD2 4.19Å; V521-F523 HydrophobicContact CG1-CE1 3.9Å; V521-F523 HydrophobicContact CG1-CE2 3.73Å; V521-F523 HydrophobicContact CG1-CG 4.47Å; V521-F523 HydrophobicContact CG1-CZ 3.58Å; V521-F523 WeakPolarHBondContact O-CD2 3.5Å; V521-F523 PolarHBondContact O-N 2.65Å |
| 524 | R | 75.8 | Confident | 67.2 | Low | 219 Ų | 219 | 156.5 Ų | 156.5 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | | | trans | -65.6 | 137.7 | 168.8 | -74.9 | -168.4 | 169.7 | -149.6 | -5.2 | 109.7 | E522 S526 | E522-R524 PolarHBondContact O-N 3.21Å; R524-S526 PolarHBondContact O-N 3.44Å |
| 525 | D | 72.7 | Confident | 67.1 | Low | 117 Ų | 117 | 156 Ų | 156 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | | | trans | -55.6 | 122.7 | 176.2 | -62.1 | -40.6 | 0 | 0 | 0 | 110.6 | S527 L528 | D525-S527 PolarHBondContact O-N 3.2Å; D525-S527 VanDerWaalsContact O-N 3.13Å; D525-L528 PolarHBondContact O-N 3.15Å; D525-L528 VanDerWaalsContact O-N 3.13Å |
| 526 | S | 63.3 | Low | 67.1 | Low | 130 Ų | 130 | 159.7 Ų | 159.7 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -4.6 | -175.2 | 49.7 | 0 | 0 | 0 | 0 | 113.9 | R524 L528 | R524-S526 PolarHBondContact O-N 3.44Å; S526-L528 VanDerWaalsContact C-N 3.3Å |
| 527 | S | 68 | Low | 66.7 | Low | 101 Ų | 101 | 154.4 Ų | 154.4 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -23.9 | 169.1 | 51.8 | 0 | 0 | 0 | 0 | 112.9 | D525 | D525-S527 PolarHBondContact O-N 3.2Å; D525-S527 VanDerWaalsContact O-N 3.13Å |
| 528 | L | 71.2 | Confident | 65.9 | Low | 127 Ų | 127 | 155.3 Ų | 155.3 | 67% | 0.665 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -91.9 | 130.8 | -178 | -63.3 | 179.9 | 0 | 0 | 0 | 111.8 | D525 S526 R530 | D525-L528 PolarHBondContact O-N 3.15Å; D525-L528 VanDerWaalsContact O-N 3.13Å; S526-L528 VanDerWaalsContact C-N 3.3Å; L528-R530 PolarHBondContact O-N 2.55Å |
| 529 | P | 65.3 | Low | 65.3 | Low | 123 Ų | 123 | 155.2 Ų | 155.2 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | trans | -63.2 | 130.2 | -179.8 | 25.2 | -33.4 | 0 | 0 | 0 | 111 | S531 | P529-S531 PolarHBondContact O-N 3.2Š|
| 530 | R | 72.3 | Confident | 64.5 | Low | 233 Ų | 233 | 152.7 Ų | 152.7 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | | | trans | -63.9 | 110.8 | 179 | -174.6 | -176.5 | -176.1 | 96.8 | -1.2 | 110.2 | L528 R532 | L528-R530 PolarHBondContact O-N 2.55Å; R530-R532 PolarHBondContact O-N 3.01Å |
| 531 | S | 67.4 | Low | 63.5 | Low | 108 Ų | 108 | 152.5 Ų | 152.5 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 125 | 173 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | P529 R533 | P529-S531 PolarHBondContact O-N 3.2Å; S531-R533 PolarHBondContact O-N 3.46Å |
| 532 | R | 71.3 | Confident | 62.7 | Low | 230 Ų | 230 | 152 Ų | 152 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 121.7 | -176.4 | -63.6 | 179.9 | 71.3 | -172.6 | 2.4 | 108.4 | R530 | R530-R532 PolarHBondContact O-N 3.01Š|
| 533 | R | 71 | Confident | 61.2 | Low | 236 Ų | 236 | 147.2 Ų | 147.2 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 138.1 | 166.7 | -84 | -170.8 | 175.1 | -170 | -2 | 109.2 | S531 S535 | S531-R533 PolarHBondContact O-N 3.46Å; R533-S535 PolarHBondContact O-N 3.42Å |
| 534 | P | 61.7 | Low | 60.1 | Low | 125 Ų | 125 | 150.3 Ų | 150.3 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 126.5 | 171.5 | 24.1 | -32.2 | 0 | 0 | 0 | 109.4 | R536 | P534-R536 PolarHBondContact O-N 3.22Š|
| 535 | S | 59.4 | Low | 58.7 | Low | 115 Ų | 115 | 146.9 Ų | 146.9 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -73.4 | 95.3 | -179.7 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | R533 G537 | R533-S535 PolarHBondContact O-N 3.42Å; S535-G537 VanDerWaalsContact C-N 3.31Å; S535-G537 PolarHBondContact O-N 2.87Å |
| 536 | R | 63.4 | Low | 57.6 | Low | 258 Ų | 258 | 146.8 Ų | 146.8 | 97% | 0.974 | 82% | 0.818 | S | S | * | * | | | trans | -72.4 | 85.1 | 173.3 | -163.3 | -177.4 | -161 | -142.5 | 6.6 | 108.9 | P534 | P534-R536 PolarHBondContact O-N 3.22Š|
| 537 | G | 53 | Low | 56.8 | Low | 62 Ų | 62 | 145.4 Ų | 145.4 | 64% | 0.639 | 81% | 0.807 | S | S | * | * | | | trans | -169.3 | 18.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | S535 | S535-G537 VanDerWaalsContact C-N 3.31Å; S535-G537 PolarHBondContact O-N 2.87Å |
| 538 | V | 47.4 | Very low | 55.5 | Low | 141 Ų | 141 | 146.4 Ų | 146.4 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | | | trans | -104.9 | 115.9 | 162 | -178.7 | 0 | 0 | 0 | 0 | 108 | A540 | V538-A540 PolarHBondContact O-N 3.41Å; V538-A540 VanDerWaalsContact O-N 3.15Å |
| 539 | R | 49.1 | Very low | 54.2 | Low | 246 Ų | 246 | 148.4 Ų | 148.4 | 93% | 0.928 | 82% | 0.816 | S | S | * | * | | | trans | -73.2 | 102.7 | 170.9 | -80.1 | -175.1 | -81.3 | -134.4 | -2.7 | 108 | A541 | R539-A541 PolarHBondContact O-N 3.07Š|
| 540 | A | 45.8 | Very low | 53.3 | Low | 96 Ų | 96 | 148.5 Ų | 148.5 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | | | trans | -62.8 | 114.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | V538 | V538-A540 PolarHBondContact O-N 3.41Å; V538-A540 VanDerWaalsContact O-N 3.15Å |
| 541 | A | 44.2 | Very low | 52.3 | Low | 97 Ų | 97 | 140.2 Ų | 140.2 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | | | trans | -65.7 | 140.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | R539 G543 | R539-A541 PolarHBondContact O-N 3.07Å; A541-G543 PolarHBondContact O-N 3.46Å |
| 542 | G | 53.5 | Low | 51.7 | Low | 88 Ų | 88 | 140.9 Ų | 140.9 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | | | trans | -62.2 | 131.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 543 | G | 40.5 | Very low | 51.2 | Low | 70 Ų | 70 | 134.3 Ų | 134.3 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | | | trans | -159.7 | 100.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A541 | A541-G543 PolarHBondContact O-N 3.46Š|
| 544 | R | 45.3 | Very low | 51.2 | Low | 235 Ų | 235 | 128.1 Ų | 128.1 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | | | trans | 46.6 | 116 | 167.3 | -74.9 | 177.1 | 138.5 | -149.7 | -5 | 118.6 | V546 | R544-V546 PolarHBondContact O-N 3.27Š|
| 545 | T | 46.4 | Very low | 51.7 | Low | 146 Ų | 146 | 127.7 Ų | 127.7 | 90% | 0.896 | 77% | 0.768 | S | S | * | * | | | trans | -56.7 | 118 | 155.1 | -41.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 546 | V | 50.1 | Low | 52.9 | Low | 115 Ų | 115 | 126.2 Ų | 126.2 | 70% | 0.697 | 75% | 0.754 | S | S | * | * | | | trans | -112.6 | 131.7 | 166.9 | 178.4 | 0 | 0 | 0 | 0 | 106.4 | R544 | R544-V546 PolarHBondContact O-N 3.27Š|
| 547 | P | 45.8 | Very low | 54.2 | Low | 102 Ų | 102 | 115.7 Ų | 115.7 | 66% | 0.662 | 73% | 0.725 | S | S | * | * | | | trans | -65.8 | 149.3 | -179.5 | 28 | -35.1 | 0 | 0 | 0 | 111 | H549 | P547-H549 VanDerWaalsContact C-N 3.26Å; P547-H549 PolarHBondContact O-N 3.03Å |
| 548 | P | 41.9 | Very low | 56 | Low | 122 Ų | 122 | 116.5 Ų | 116.5 | 79% | 0.792 | 72% | 0.719 | S | S | * | * | | | trans | -77.6 | 74.4 | -178.5 | 33.6 | -36 | 0 | 0 | 0 | 111.2 | V550 | P548-V550 PolarHBondContact O-N 2.88Å; P548-V550 VanDerWaalsContact O-N 3.16Å |
| 549 | H | 43.4 | Very low | 58 | Low | 169 Ų | 169 | 114.5 Ų | 114.5 | 78% | 0.782 | 70% | 0.704 | S | S | * | * | | | trans | -82.8 | 73.9 | 157.6 | -168.9 | -77.5 | 0 | 0 | 0 | 108.7 | P547 A551 | P547-H549 VanDerWaalsContact C-N 3.26Å; P547-H549 PolarHBondContact O-N 3.03Å; H549-A551 VanDerWaalsContact C-N 3.3Å; H549-A551 PolarHBondContact O-N 3.33Å |
| 550 | V | 46.1 | Very low | 59.9 | Low | 125 Ų | 125 | 108.1 Ų | 108.1 | 76% | 0.758 | 69% | 0.687 | S | S | * | * | | | trans | -70.8 | 95.1 | 165.6 | 178.7 | 0 | 0 | 0 | 0 | 106.4 | P548 | P548-V550 PolarHBondContact O-N 2.88Å; P548-V550 VanDerWaalsContact O-N 3.16Å |
| 551 | A | 51.6 | Low | 62.2 | Low | 58 Ų | 58 | 110.3 Ų | 110.3 | 48% | 0.479 | 68% | 0.681 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 137.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | H549 S553 | H549-A551 VanDerWaalsContact C-N 3.3Å; H549-A551 PolarHBondContact O-N 3.33Å; A551-S553 PolarHBondContact O-N 3.15Å; A551-S553 VanDerWaalsContact O-N 3.08Å |
| 552 | P | 54 | Low | 64.5 | Low | 122 Ų | 122 | 110.6 Ų | 110.6 | 79% | 0.792 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 122.4 | 177.4 | 23.7 | -32.4 | 0 | 0 | 0 | 108.2 | | |
| 553 | S | 62.3 | Low | 66.4 | Low | 93 Ų | 93 | 114 Ų | 114 | 65% | 0.65 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 136.8 | 172.3 | 48.5 | 0 | 0 | 0 | 0 | 108.3 | A551 D555 | A551-S553 PolarHBondContact O-N 3.15Å; A551-S553 VanDerWaalsContact O-N 3.08Å; S553-D555 PolarHBondContact O-N 3.38Å |
| 554 | P | 69.3 | Low | 69.1 | Low | 106 Ų | 106 | 116 Ų | 116 | 69% | 0.688 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 130.4 | 174.6 | 24.3 | -33.7 | 0 | 0 | 0 | 108 | V556 | P554-V556 WeakPolarHBondContact O-CG2 3.12Å; P554-V556 PolarHBondContact O-N 3.46Å |
| 555 | D | 74 | Confident | 71.3 | Confident | 116 Ų | 116 | 111.3 Ų | 111.3 | 62% | 0.62 | 63% | 0.633 | S | S | * | * | | | trans | -59.2 | 115.1 | -175.1 | -171.2 | -4.5 | 0 | 0 | 0 | 108.7 | S553 G557 P558 | S553-D555 PolarHBondContact O-N 3.38Å; D555-G557 PolarHBondContact OD1-N 3.35Å; D555-P558 HydrophobicContact CB-CG 4.34Å; D555-P558 WeakPolarHBondContact O-CD 3.32Å; D555-P558 WeakPolarHBondContact OD1-CD 3.42Å |
| 556 | V | 84.4 | Confident | 73.6 | Confident | 84 Ų | 84 | 107.5 Ų | 107.5 | 51% | 0.509 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -79.7 | -16.9 | -175.7 | -149.6 | 0 | 0 | 0 | 0 | 110.2 | P554 L559 L560 | P554-V556 WeakPolarHBondContact O-CG2 3.12Å; P554-V556 PolarHBondContact O-N 3.46Å; V556-L559 PolarHBondContact O-N 2.96Å; V556-L560 HydrophobicContact CG1-CD1 4.16Å; V556-L560 HydrophobicContact CG1-CG 4.25Å; V556-L560 WeakPolarHBondContact O-CB 3.44Å; V556-L560 VanDerWaalsContact O-CG 3.27Å; V556-L560 WeakPolarHBondContact O-CG 3.3Å; V556-L560 PolarHBondContact O-N 3.47Å |
| 557 | G | 89.6 | Confident | 75.7 | Confident | 36 Ų | 36 | 107.4 Ų | 107.4 | 37% | 0.371 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -56.7 | -59.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | D555 L559 L560 Q561 | D555-G557 PolarHBondContact OD1-N 3.35Å; G557-L559 VanDerWaalsContact C-N 3.29Å; G557-L559 PolarHBondContact O-N 3.17Å; G557-L560 PolarHBondContact O-N 2.9Å; G557-L560 VanDerWaalsContact O-N 3.13Å; G557-Q561 WeakPolarHBondContact O-CB 3.47Å; G557-Q561 PolarHBondContact O-N 3.21Å |
| 558 | P | 90.7 | Very high | 77.9 | Confident | 79 Ų | 79 | 107 Ų | 107 | 51% | 0.513 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -54.3 | -40.3 | 177.3 | -28.9 | 35.2 | 0 | 0 | 0 | 114.2 | D555 Q561 Q562 | D555-P558 HydrophobicContact CB-CG 4.34Å; D555-P558 WeakPolarHBondContact O-CD 3.32Å; D555-P558 WeakPolarHBondContact OD1-CD 3.42Å; P558-Q561 PolarHBondContact O-N 3.08Å; P558-Q562 WeakPolarHBondContact O-CB 3.28Å; P558-Q562 PolarHBondContact O-N 3.13Å |
| 559 | L | 89.1 | Confident | 80.3 | Confident | 100 Ų | 100 | 104 Ų | 104 | 52% | 0.524 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70 | -35.4 | 179 | -67.1 | 173.4 | 0 | 0 | 0 | 112.6 | V556 G557 R563 | V556-L559 PolarHBondContact O-N 2.96Å; G557-L559 VanDerWaalsContact C-N 3.29Å; G557-L559 PolarHBondContact O-N 3.17Å; L559-R563 WeakPolarHBondContact O-CB 3.36Å; L559-R563 VanDerWaalsContact O-CG 3.28Å; L559-R563 WeakPolarHBondContact O-CG 3.3Å; L559-R563 PolarHBondContact O-N 3.46Å; L559-R563 VanDerWaalsContact O-N 3.15Å |
| 560 | L | 90.7 | Very high | 82.3 | Confident | 111 Ų | 111 | 100.7 Ų | 100.7 | 58% | 0.581 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -73.7 | -36 | 174.2 | -71 | 170.1 | 0 | 0 | 0 | 111.8 | V556 G557 R563 L564 | V556-L560 HydrophobicContact CG1-CD1 4.16Å; V556-L560 HydrophobicContact CG1-CG 4.25Å; V556-L560 WeakPolarHBondContact O-CB 3.44Å; V556-L560 VanDerWaalsContact O-CG 3.27Å; V556-L560 WeakPolarHBondContact O-CG 3.3Å; V556-L560 PolarHBondContact O-N 3.47Å; G557-L560 PolarHBondContact O-N 2.9Å; G557-L560 VanDerWaalsContact O-N 3.13Å; L560-R563 PolarHBondContact O-N 3.34Å; L560-L564 PolarHBondContact O-N 3.13Å |
| 561 | Q | 92.3 | Very high | 84.2 | Confident | 143 Ų | 143 | 99.6 Ų | 99.6 | 67% | 0.668 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.4 | -52.1 | 174.1 | -172 | 107.5 | 15.6 | 0 | 0 | 110.5 | G557 P558 R563 L564 E565 | G557-Q561 WeakPolarHBondContact O-CB 3.47Å; G557-Q561 PolarHBondContact O-N 3.21Å; P558-Q561 PolarHBondContact O-N 3.08Å; Q561-R563 VanDerWaalsContact C-N 3.29Å; Q561-R563 PolarHBondContact O-N 2.69Å; Q561-L564 WeakPolarHBondContact O-CB 3.19Å; Q561-L564 PolarHBondContact O-N 3.27Å; Q561-E565 PolarHBondContact O-N 3.46Å |
| 562 | Q | 93.9 | Very high | 85.6 | Confident | 103 Ų | 103 | 102.1 Ų | 102.1 | 48% | 0.481 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -56.9 | -42.4 | 175.9 | -175.4 | -170.9 | -28.4 | 0 | 0 | 111.5 | P558 L564 E565 E566 | P558-Q562 WeakPolarHBondContact O-CB 3.28Å; P558-Q562 PolarHBondContact O-N 3.13Å; Q562-L564 VanDerWaalsContact C-N 3.31Å; Q562-L564 PolarHBondContact O-N 2.61Å; Q562-E565 PolarHBondContact O-N 3.29Å; Q562-E566 PolarHBondContact NE2-OE1 2.78Å; Q562-E566 WeakPolarHBondContact O-CB 3.29Å; Q562-E566 WeakPolarHBondContact O-CG 3.49Å; Q562-E566 PolarHBondContact O-N 3.34Å |
| 563 | R | 94 | Very high | 86.7 | Confident | 160 Ų | 160 | 102 Ų | 102 | 60% | 0.604 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69.7 | -24.5 | 177.6 | -73.9 | -64.5 | -173.5 | -175.1 | 1.2 | 114.2 | L559 L560 Q561 E566 L567 | L559-R563 WeakPolarHBondContact O-CB 3.36Å; L559-R563 VanDerWaalsContact O-CG 3.28Å; L559-R563 WeakPolarHBondContact O-CG 3.3Å; L559-R563 PolarHBondContact O-N 3.46Å; L559-R563 VanDerWaalsContact O-N 3.15Å; L560-R563 PolarHBondContact O-N 3.34Å; Q561-R563 VanDerWaalsContact C-N 3.29Å; Q561-R563 PolarHBondContact O-N 2.69Å; R563-E566 VanDerWaalsContact CD-OE2 3.26Å; R563-E566 WeakPolarHBondContact CD-OE2 3.15Å; R563-E566 IonicContact CZ-OE2 2.63Å; R563-E566 IonicContact NE-OE2 3.77Å; R563-E566 IonicContact NH1-OE2 3.6Å; R563-E566 PolarHBondContact NH1-OE2 3.24Å; R563-L567 WeakPolarHBondContact O-CD1 3.17Å; R563-L567 VanDerWaalsContact O-CG 3.28Å; R563-L567 WeakPolarHBondContact O-CG 3.18Å; R563-L567 PolarHBondContact O-N 3.43Å |
| 564 | L | 95.4 | Very high | 87.2 | Confident | 112 Ų | 112 | 103.9 Ų | 103.9 | 59% | 0.586 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71 | -48.3 | 170 | -125.8 | 78.1 | 0 | 0 | 0 | 110.1 | L560 Q561 Q562 E566 L567 D568 | L560-L564 PolarHBondContact O-N 3.13Å; Q561-L564 WeakPolarHBondContact O-CB 3.19Å; Q561-L564 PolarHBondContact O-N 3.27Å; Q562-L564 VanDerWaalsContact C-N 3.31Å; Q562-L564 PolarHBondContact O-N 2.61Å; L564-E566 VanDerWaalsContact C-N 3.34Å; L564-E566 PolarHBondContact O-N 3.41Å; L564-L567 CarbonylContact O-C 3.58Å; L564-L567 WeakPolarHBondContact O-CA 3.39Å; L564-L567 WeakPolarHBondContact O-CB 3.39Å; L564-L567 PolarHBondContact O-N 3.02Å; L564-D568 PolarHBondContact O-N 3.28Å |
| 565 | E | 92.9 | Very high | 87.2 | Confident | 135 Ų | 135 | 105.6 Ų | 105.6 | 63% | 0.631 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.5 | -36.5 | -178.4 | -165.7 | 163 | -154.4 | 0 | 0 | 112.3 | Q561 Q562 L567 D568 A569 | Q561-E565 PolarHBondContact O-N 3.46Å; Q562-E565 PolarHBondContact O-N 3.29Å; E565-L567 VanDerWaalsContact C-N 3.34Å; E565-L567 PolarHBondContact O-N 3.44Å; E565-D568 PolarHBondContact O-N 2.84Å; E565-A569 VanDerWaalsContact O-CB 3.29Å; E565-A569 WeakPolarHBondContact O-CB 3.35Å; E565-A569 PolarHBondContact O-N 3.4Å |
| 566 | E | 93.6 | Very high | 86.5 | Confident | 66 Ų | 66 | 104.5 Ų | 104.5 | 31% | 0.308 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.7 | -36.1 | 169.2 | -75 | 172.9 | -162.2 | 0 | 0 | 113 | Q562 R563 L564 L570 | Q562-E566 PolarHBondContact NE2-OE1 2.78Å; Q562-E566 WeakPolarHBondContact O-CB 3.29Å; Q562-E566 WeakPolarHBondContact O-CG 3.49Å; Q562-E566 PolarHBondContact O-N 3.34Å; R563-E566 VanDerWaalsContact CD-OE2 3.26Å; R563-E566 WeakPolarHBondContact CD-OE2 3.15Å; R563-E566 IonicContact CZ-OE2 2.63Å; R563-E566 IonicContact NE-OE2 3.77Å; R563-E566 IonicContact NH1-OE2 3.6Å; R563-E566 PolarHBondContact NH1-OE2 3.24Å; L564-E566 VanDerWaalsContact C-N 3.34Å; L564-E566 PolarHBondContact O-N 3.41Å; E566-L570 VanDerWaalsContact O-CG 3.27Å; E566-L570 WeakPolarHBondContact O-CG 3.39Å; E566-L570 PolarHBondContact O-N 3.27Å; E566-L570 VanDerWaalsContact O-N 3.12Å |
| 567 | L | 94.6 | Very high | 85.2 | Confident | 113 Ų | 113 | 105 Ų | 105 | 59% | 0.592 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -77 | -38 | 177.6 | -72.9 | 171.8 | 0 | 0 | 0 | 112.1 | R563 L564 E565 A569 L570 L571 | R563-L567 WeakPolarHBondContact O-CD1 3.17Å; R563-L567 VanDerWaalsContact O-CG 3.28Å; R563-L567 WeakPolarHBondContact O-CG 3.18Å; R563-L567 PolarHBondContact O-N 3.43Å; L564-L567 CarbonylContact O-C 3.58Å; L564-L567 WeakPolarHBondContact O-CA 3.39Å; L564-L567 WeakPolarHBondContact O-CB 3.39Å; L564-L567 PolarHBondContact O-N 3.02Å; E565-L567 VanDerWaalsContact C-N 3.34Å; E565-L567 PolarHBondContact O-N 3.44Å; L567-A569 VanDerWaalsContact C-N 3.32Å; L567-L570 PolarHBondContact O-N 2.97Å; L567-L571 WeakPolarHBondContact O-CB 3.32Å; L567-L571 PolarHBondContact O-N 2.93Å |
| 568 | D | 92.2 | Very high | 83.6 | Confident | 95 Ų | 95 | 110.5 Ų | 110.5 | 51% | 0.508 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66 | -36.9 | 175 | -69 | -28.4 | 0 | 0 | 0 | 110.7 | L564 E565 L571 L572 | L564-D568 PolarHBondContact O-N 3.28Å; E565-D568 PolarHBondContact O-N 2.84Å; D568-L571 PolarHBondContact O-N 2.89Å; D568-L572 PolarHBondContact O-N 3.04Å; D568-L572 VanDerWaalsContact O-N 3.09Å |
| 569 | A | 91.7 | Very high | 82 | Confident | 58 Ų | 58 | 109.8 Ų | 109.8 | 48% | 0.479 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.1 | -44.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E565 L567 L571 L572 E573 | E565-A569 VanDerWaalsContact O-CB 3.29Å; E565-A569 WeakPolarHBondContact O-CB 3.35Å; E565-A569 PolarHBondContact O-N 3.4Å; L567-A569 VanDerWaalsContact C-N 3.32Å; A569-L571 VanDerWaalsContact C-N 3.29Å; A569-L571 PolarHBondContact O-N 3.39Å; A569-L572 PolarHBondContact O-N 2.95Å; A569-E573 PolarHBondContact O-N 3.2Å |
| 570 | L | 86.6 | Confident | 80.2 | Confident | 100 Ų | 100 | 113.2 Ų | 113.2 | 52% | 0.524 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.6 | -34.1 | 175.5 | -75.4 | 170.3 | 0 | 0 | 0 | 112.5 | E566 L567 E573 E574 | E566-L570 VanDerWaalsContact O-CG 3.27Å; E566-L570 WeakPolarHBondContact O-CG 3.39Å; E566-L570 PolarHBondContact O-N 3.27Å; E566-L570 VanDerWaalsContact O-N 3.12Å; L567-L570 PolarHBondContact O-N 2.97Å; L570-E573 PolarHBondContact O-N 3.24Å; L570-E574 WeakPolarHBondContact O-CB 3.33Å; L570-E574 PolarHBondContact O-N 2.81Å |
| 571 | L | 84.4 | Confident | 78 | Confident | 102 Ų | 102 | 116.1 Ų | 116.1 | 53% | 0.534 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.4 | -39.7 | 174.9 | -164.1 | 80.1 | 0 | 0 | 0 | 111.5 | L567 D568 A569 E574 E575 | L567-L571 WeakPolarHBondContact O-CB 3.32Å; L567-L571 PolarHBondContact O-N 2.93Å; D568-L571 PolarHBondContact O-N 2.89Å; A569-L571 VanDerWaalsContact C-N 3.29Å; A569-L571 PolarHBondContact O-N 3.39Å; L571-E574 PolarHBondContact O-N 3.37Å; L571-E575 WeakPolarHBondContact O-CB 3.33Å; L571-E575 PolarHBondContact O-N 3.08Å |
| 572 | L | 81.3 | Confident | 76 | Confident | 111 Ų | 111 | 114.1 Ų | 114.1 | 58% | 0.581 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66 | -38.5 | 172.7 | -109.5 | 68.6 | 0 | 0 | 0 | 112.2 | D568 A569 E575 T576 | D568-L572 PolarHBondContact O-N 3.04Å; D568-L572 VanDerWaalsContact O-N 3.09Å; A569-L572 PolarHBondContact O-N 2.95Å; L572-E575 PolarHBondContact O-N 2.89Å; L572-T576 WeakPolarHBondContact O-CB 3.44Å; L572-T576 WeakPolarHBondContact O-CG2 3.4Å; L572-T576 PolarHBondContact O-N 3.5Å; L572-T576 PolarHBondContact O-OG1 3.43Å |
| 573 | E | 77 | Confident | 73.7 | Confident | 119 Ų | 119 | 118 Ų | 118 | 56% | 0.556 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65 | -42.2 | 174.8 | -163.5 | 172.3 | -174.8 | 0 | 0 | 111.1 | A569 L570 T576 V577 | A569-E573 PolarHBondContact O-N 3.2Å; L570-E573 PolarHBondContact O-N 3.24Å; E573-T576 WeakPolarHBondContact CA-OG1 3.42Å; E573-T576 PolarHBondContact O-N 3.04Å; E573-T576 PolarHBondContact O-OG1 3.35Å; E573-T576 VanDerWaalsContact O-OG1 3.11Å; E573-V577 HydrophobicContact CG-CG2 4.45Å; E573-V577 WeakPolarHBondContact O-CB 3.34Å; E573-V577 VanDerWaalsContact O-CG2 3.23Å; E573-V577 WeakPolarHBondContact O-CG2 3.49Å; E573-V577 PolarHBondContact O-N 3.35Å |
| 574 | E | 72.7 | Confident | 71.3 | Confident | 132 Ų | 132 | 121.4 Ų | 121.4 | 62% | 0.617 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62 | -45.6 | 172.5 | -169.6 | 171.5 | -167 | 0 | 0 | 112.1 | L570 L571 T576 V577 D578 | L570-E574 WeakPolarHBondContact O-CB 3.33Å; L570-E574 PolarHBondContact O-N 2.81Å; L571-E574 PolarHBondContact O-N 3.37Å; E574-T576 VanDerWaalsContact C-N 3.26Å; E574-T576 PolarHBondContact O-N 3.23Å; E574-V577 PolarHBondContact O-N 3.41Å; E574-D578 PolarHBondContact O-N 3.13Å |
| 575 | E | 69.4 | Low | 68.8 | Low | 143 Ų | 143 | 125.9 Ų | 125.9 | 67% | 0.668 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67 | -23.5 | 178.3 | -172.8 | 167.7 | -164.1 | 0 | 0 | 113.1 | L571 L572 | L571-E575 WeakPolarHBondContact O-CB 3.33Å; L571-E575 PolarHBondContact O-N 3.08Å; L572-E575 PolarHBondContact O-N 2.89Å |
| 576 | T | 59.4 | Low | 67.6 | Low | 92 Ų | 92 | 125.4 Ų | 125.4 | 56% | 0.564 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -91.7 | -31.6 | 176.6 | 47.2 | 0 | 0 | 0 | 0 | 113.7 | L572 E573 E574 G579 | L572-T576 WeakPolarHBondContact O-CB 3.44Å; L572-T576 WeakPolarHBondContact O-CG2 3.4Å; L572-T576 PolarHBondContact O-N 3.5Å; L572-T576 PolarHBondContact O-OG1 3.43Å; E573-T576 WeakPolarHBondContact CA-OG1 3.42Å; E573-T576 PolarHBondContact O-N 3.04Å; E573-T576 PolarHBondContact O-OG1 3.35Å; E573-T576 VanDerWaalsContact O-OG1 3.11Å; E574-T576 VanDerWaalsContact C-N 3.26Å; E574-T576 PolarHBondContact O-N 3.23Å; T576-G579 PolarHBondContact O-N 3.48Å; T576-G579 VanDerWaalsContact O-N 3.07Å |
| 577 | V | 58.4 | Low | 66.3 | Low | 96 Ų | 96 | 128.5 Ų | 128.5 | 58% | 0.582 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -68.5 | -33.5 | 176 | 166.4 | 0 | 0 | 0 | 0 | 112.1 | E573 E574 G579 E580 | E573-V577 HydrophobicContact CG-CG2 4.45Å; E573-V577 WeakPolarHBondContact O-CB 3.34Å; E573-V577 VanDerWaalsContact O-CG2 3.23Å; E573-V577 WeakPolarHBondContact O-CG2 3.49Å; E573-V577 PolarHBondContact O-N 3.35Å; E574-V577 PolarHBondContact O-N 3.41Å; V577-G579 PolarHBondContact O-N 3.06Å; V577-E580 PolarHBondContact O-N 3.01Å |
| 578 | D | 55 | Low | 64.7 | Low | 151 Ų | 151 | 129.4 Ų | 129.4 | 81% | 0.807 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -7.9 | 171.7 | -93 | -9.1 | 0 | 0 | 0 | 113.2 | E574 | E574-D578 PolarHBondContact O-N 3.13Š|
| 579 | G | 57.1 | Low | 63.1 | Low | 63 Ų | 63 | 131.4 Ų | 131.4 | 65% | 0.649 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -21.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | T576 V577 | T576-G579 PolarHBondContact O-N 3.48Å; T576-G579 VanDerWaalsContact O-N 3.07Å; V577-G579 PolarHBondContact O-N 3.06Å |
| 580 | E | 52.3 | Low | 61.3 | Low | 172 Ų | 172 | 136 Ų | 136 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | | | trans | -122 | 70.6 | -175.8 | -76.4 | -158.1 | 120.9 | 0 | 0 | 113.5 | V577 | V577-E580 PolarHBondContact O-N 3.01Š|
| 581 | Q | 42.9 | Very low | 59.6 | Low | 173 Ų | 173 | 138.4 Ų | 138.4 | 81% | 0.808 | 72% | 0.721 | S | S | * | * | | | trans | -106.9 | 98.8 | 152.2 | -103.6 | -171.7 | 9.4 | 0 | 0 | 110.4 | H583 | Q581-H583 PolarHBondContact O-N 2.87Š|
| 582 | P | 51.3 | Low | 57.8 | Low | 100 Ų | 100 | 141 Ų | 141 | 65% | 0.649 | 73% | 0.734 | S | S | * | * | | | trans | -68.8 | 115.6 | 172.5 | 27.6 | -32.3 | 0 | 0 | 0 | 109.5 | W584 | P582-W584 PolarHBondContact O-N 3.14Š|
| 583 | H | 45.4 | Very low | 56 | Low | 185 Ų | 185 | 143.3 Ų | 143.3 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | | | trans | -59 | 110.3 | 169.9 | -59.1 | -59.4 | 0 | 0 | 0 | 110.1 | Q581 | Q581-H583 PolarHBondContact O-N 2.87Š|
| 584 | W | 42.7 | Very low | 54.3 | Low | 231 Ų | 231 | 145.3 Ų | 145.3 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | | | trans | -98 | 138.1 | 160.1 | -79.5 | 77.9 | 0 | 0 | 0 | 109.6 | P582 | P582-W584 PolarHBondContact O-N 3.14Š|
| 585 | T | 44.9 | Very low | 52.6 | Low | 206 Ų | 206 | 146.5 Ų | 146.5 | 100% | 1.264 | 78% | 0.775 | S | S | * | * | | | trans | -68.2 | 0 | -164.7 | 50.7 | 0 | 0 | 0 | 0 | 115.4 | | |