| 1 | M | 42 | Very low | 47.1 | Very low | 249 Ų | 249 | 155.4 Ų | 155.4 | 100% | 1.227 | 84% | 0.84 | S | S | * | * | | | | 0 | 99.4 | 0 | -61.2 | -175.5 | 94.6 | 0 | 0 | 107.6 | | |
| 2 | S | 48.7 | Very low | 46.9 | Very low | 123 Ų | 123 | 153.9 Ų | 153.9 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | | | trans | -156.4 | 115.6 | 175.3 | -171.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 3 | T | 49.7 | Very low | 47.4 | Very low | 143 Ų | 143 | 154 Ų | 154 | 88% | 0.877 | 83% | 0.831 | S | S | * | * | | | trans | -90.2 | 102.4 | -177.2 | 47.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 4 | G | 52.3 | Low | 47.3 | Very low | 72 Ų | 72 | 152.4 Ų | 152.4 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 126.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 5 | R | 46.8 | Very low | 47.4 | Very low | 237 Ų | 237 | 148.1 Ų | 148.1 | 89% | 0.894 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 124.1 | 171.6 | -70 | -178 | -177.7 | -158.8 | 0.4 | 109.5 | | |
| 6 | L | 52.8 | Low | 47.3 | Very low | 153 Ų | 153 | 149.4 Ų | 149.4 | 80% | 0.801 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 127.1 | 165.4 | -102.1 | 96.2 | 0 | 0 | 0 | 109.9 | | |
| 7 | F | 46 | Very low | 47.5 | Very low | 193 Ų | 193 | 151.1 Ų | 151.1 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 116.8 | 159.1 | -95.9 | -90.5 | 0 | 0 | 0 | 107.1 | | |
| 8 | D | 47.7 | Very low | 47.6 | Very low | 147 Ų | 147 | 153.4 Ų | 153.4 | 79% | 0.786 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 128.6 | 171.3 | -90.3 | -25.1 | 0 | 0 | 0 | 110.5 | | |
| 9 | H | 49.9 | Very low | 47.9 | Very low | 152 Ų | 152 | 153.1 Ų | 153.1 | 70% | 0.704 | 83% | 0.832 | S | S | * | * | | | trans | -130.9 | 124.4 | 176.7 | -115.1 | 9.1 | 0 | 0 | 0 | 109.6 | | |
| 10 | F | 39.6 | Very low | 48.2 | Very low | 164 Ų | 164 | 151.4 Ų | 151.4 | 72% | 0.719 | 83% | 0.832 | S | S | * | * | | | trans | 67.6 | 128.1 | 152.9 | -64.1 | -78.8 | 0 | 0 | 0 | 120.8 | | |
| 11 | G | 43.3 | Very low | 48.4 | Very low | 76 Ų | 76 | 149.7 Ų | 149.7 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | | | trans | -143.6 | 94.4 | 152.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 12 | D | 44.7 | Very low | 49 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | | | trans | -68 | 121.8 | 168.2 | -64.2 | -48.3 | 0 | 0 | 0 | 108.5 | | |
| 13 | N | 53.3 | Low | 49.1 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | | | trans | -125.3 | 122.1 | 167.9 | -95 | -15.5 | 0 | 0 | 0 | 109 | | |
| 14 | P | 45.9 | Very low | 49.6 | Very low | 132 Ų | 132 | 144 Ų | 144 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | | | trans | -89.1 | 100.9 | 168.4 | 33.3 | -24.8 | 0 | 0 | 0 | 108.2 | | |
| 15 | A | 48.9 | Very low | 49.8 | Very low | 87 Ų | 87 | 147 Ų | 147 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | | | trans | -153.2 | 61.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q17 | A15-Q17 VanDerWaalsContact C-N 3.27Å; A15-Q17 PolarHBondContact O-N 3.48Å; A15-Q17 VanDerWaalsContact O-N 3.16Å |
| 16 | D | 45.4 | Very low | 50.1 | Low | 170 Ų | 170 | 144.1 Ų | 144.1 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | | | trans | -77.7 | 83.5 | 162.1 | -72.5 | -29.3 | 0 | 0 | 0 | 107.6 | | |
| 17 | Q | 51 | Low | 50.4 | Low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | | | trans | -108.5 | 107.2 | 156 | -106.7 | 174.3 | -12.8 | 0 | 0 | 106.4 | A15 D19 | A15-Q17 VanDerWaalsContact C-N 3.27Å; A15-Q17 PolarHBondContact O-N 3.48Å; A15-Q17 VanDerWaalsContact O-N 3.16Å; Q17-D19 VanDerWaalsContact C-N 3.31Å; Q17-D19 PolarHBondContact O-N 3.31Å |
| 18 | E | 49.2 | Very low | 50.8 | Low | 192 Ų | 192 | 142.8 Ų | 142.8 | 90% | 0.897 | 75% | 0.754 | S | S | * | * | | | trans | -68.8 | 85.6 | 178 | -63.4 | -165.1 | 164 | 0 | 0 | 110.1 | S20 | E18-S20 PolarHBondContact O-N 3.4Å; E18-S20 VanDerWaalsContact O-N 3.14Å |
| 19 | D | 52.6 | Low | 51 | Low | 148 Ų | 148 | 144.6 Ų | 144.6 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | | | trans | -72.8 | 103.4 | 161.7 | -80.3 | -18 | 0 | 0 | 0 | 108.3 | Q17 V21 | Q17-D19 VanDerWaalsContact C-N 3.31Å; Q17-D19 PolarHBondContact O-N 3.31Å; D19-V21 PolarHBondContact O-N 3.33Å |
| 20 | S | 54.5 | Low | 51.1 | Low | 119 Ų | 119 | 148.3 Ų | 148.3 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | | | trans | -59.8 | 91.6 | 173.2 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | E18 D22 | E18-S20 PolarHBondContact O-N 3.4Å; E18-S20 VanDerWaalsContact O-N 3.14Å; S20-D22 PolarHBondContact O-N 3.47Å |
| 21 | V | 53.4 | Low | 51.7 | Low | 115 Ų | 115 | 149.3 Ų | 149.3 | 70% | 0.697 | 77% | 0.772 | S | S | * | * | | | trans | -74.5 | 120 | 175.8 | -172.3 | 0 | 0 | 0 | 0 | 110 | D19 F23 | D19-V21 PolarHBondContact O-N 3.33Å; V21-F23 WeakPolarHBondContact O-CD2 3.18Å; V21-F23 PolarHBondContact O-N 2.7Å |
| 22 | D | 54.6 | Low | 52 | Low | 104 Ų | 104 | 151.2 Ų | 151.2 | 56% | 0.556 | 77% | 0.773 | S | S | * | * | | | trans | -62 | 123.9 | -178.9 | -128.9 | -23.9 | 0 | 0 | 0 | 112 | S20 E24 R233 | S20-D22 PolarHBondContact O-N 3.47Å; D22-E24 VanDerWaalsContact C-N 3.3Å; D22-E24 PolarHBondContact O-N 3.03Å; D22-R233 IonicContact OD1-NH2 2.66Å |
| 23 | F | 49.7 | Very low | 52.2 | Low | 156 Ų | 156 | 151.3 Ų | 151.3 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | | | trans | -89.5 | 16.6 | -179.4 | -80.6 | -82.7 | 0 | 0 | 0 | 113.5 | V21 F25 | V21-F23 WeakPolarHBondContact O-CD2 3.18Å; V21-F23 PolarHBondContact O-N 2.7Å; F23-F25 PolarHBondContact O-N 3.31Å |
| 24 | E | 59.7 | Low | 51.7 | Low | 135 Ų | 135 | 148.1 Ų | 148.1 | 63% | 0.631 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -62.7 | -7.8 | 178.4 | -69.6 | -166.2 | 157.5 | 0 | 0 | 114.1 | D22 F26 E27 | D22-E24 VanDerWaalsContact C-N 3.3Å; D22-E24 PolarHBondContact O-N 3.03Å; E24-F26 VanDerWaalsContact C-N 3.25Å; E24-F26 PolarHBondContact O-N 2.87Å; E24-F26 VanDerWaalsContact O-N 3.12Å; E24-E27 PolarHBondContact O-N 2.69Å |
| 25 | F | 57.7 | Low | 51.9 | Low | 135 Ų | 135 | 149.6 Ų | 149.6 | 59% | 0.592 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -65.1 | -14.6 | -176.3 | -167.2 | -97.9 | 0 | 0 | 0 | 116 | F23 K323 | F23-F25 PolarHBondContact O-N 3.31Å; F25-K323 VanDerWaalsContact CE1-NZ 3.27Å |
| 26 | F | 53.2 | Low | 51.8 | Low | 178 Ų | 178 | 150.3 Ų | 150.3 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -115.6 | 2.3 | -177.4 | -74.7 | -77.4 | 0 | 0 | 0 | 115.3 | E24 | E24-F26 VanDerWaalsContact C-N 3.25Å; E24-F26 PolarHBondContact O-N 2.87Å; E24-F26 VanDerWaalsContact O-N 3.12Å |
| 27 | E | 57.5 | Low | 51.8 | Low | 151 Ų | 151 | 149 Ų | 149 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | | | trans | -101.2 | -7.3 | -174.8 | -124.6 | 95.5 | -140.8 | 0 | 0 | 114.2 | E24 H29 | E24-E27 PolarHBondContact O-N 2.69Å; E27-H29 VanDerWaalsContact C-N 3.31Å; E27-H29 PolarHBondContact O-N 2.66Å |
| 28 | E | 54.6 | Low | 51.6 | Low | 167 Ų | 167 | 148.8 Ų | 148.8 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 14.3 | -165 | -147.5 | -174 | 165 | 0 | 0 | 117.1 | | |
| 29 | H | 53.1 | Low | 51.3 | Low | 185 Ų | 185 | 148.5 Ų | 148.5 | 86% | 0.856 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.6 | 26.6 | -179.8 | -68.3 | -33.6 | 0 | 0 | 0 | 115.4 | E27 | E27-H29 VanDerWaalsContact C-N 3.31Å; E27-H29 PolarHBondContact O-N 2.66Å |
| 30 | R | 51.2 | Low | 50.6 | Low | 230 Ų | 230 | 148.5 Ų | 148.5 | 87% | 0.868 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -96 | 103.6 | 163.4 | -71.5 | -167.9 | -179.9 | -110.7 | -2.4 | 109.9 | S32 | R30-S32 PolarHBondContact O-N 3.01Š|
| 31 | E | 52.8 | Low | 49.8 | Very low | 185 Ų | 185 | 149.9 Ų | 149.9 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | | | trans | -27.3 | 116.6 | 167.6 | -73.2 | 168 | 147.7 | 0 | 0 | 112 | I33 | E31-I33 PolarHBondContact O-N 3.08Š|
| 32 | S | 49.5 | Very low | 49 | Very low | 115 Ų | 115 | 152.2 Ų | 152.2 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | | | trans | -49.8 | 106.7 | 167.3 | 37.5 | 0 | 0 | 0 | 0 | 109.5 | R30 | R30-S32 PolarHBondContact O-N 3.01Š|
| 33 | I | 47.8 | Very low | 48.4 | Very low | 141 Ų | 141 | 153.4 Ų | 153.4 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | | | trans | -58.8 | 123.9 | 162.3 | -62.1 | 173.1 | 0 | 0 | 0 | 105.9 | E31 E35 | E31-I33 PolarHBondContact O-N 3.08Å; I33-E35 PolarHBondContact O-N 3.36Å |
| 34 | P | 44.4 | Very low | 47.9 | Very low | 87 Ų | 87 | 152.3 Ų | 152.3 | 57% | 0.565 | 75% | 0.752 | S | S | * | * | | | trans | -55.9 | 132 | -177.8 | 19.5 | -29.9 | 0 | 0 | 0 | 110.3 | S36 | P34-S36 PolarHBondContact O-N 2.81Š|
| 35 | E | 49.4 | Very low | 46.7 | Very low | 163 Ų | 163 | 156.8 Ų | 156.8 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -64.6 | 5.7 | -172.1 | -148.3 | 157.9 | -150.6 | 0 | 0 | 114.1 | I33 L37 | I33-E35 PolarHBondContact O-N 3.36Å; E35-L37 VanDerWaalsContact C-N 3.34Å; E35-L37 PolarHBondContact O-N 3.12Å |
| 36 | S | 46.8 | Very low | 45.8 | Very low | 102 Ų | 102 | 158.2 Ų | 158.2 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -83.3 | 3.9 | 178.2 | 58.1 | 0 | 0 | 0 | 0 | 115 | P34 | P34-S36 PolarHBondContact O-N 2.81Š|
| 37 | L | 45.2 | Very low | 44.8 | Very low | 142 Ų | 142 | 157.1 Ų | 157.1 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -116.5 | 11 | 176.9 | -74.7 | 168.2 | 0 | 0 | 0 | 114.6 | E35 K39 | E35-L37 VanDerWaalsContact C-N 3.34Å; E35-L37 PolarHBondContact O-N 3.12Å; L37-K39 PolarHBondContact O-N 3.15Å |
| 38 | K | 45.9 | Very low | 43.8 | Very low | 175 Ų | 175 | 157.7 Ų | 157.7 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | | | trans | -96.6 | 39.5 | 178.2 | -78.1 | -177.2 | 179.1 | 172.5 | 0 | 114.3 | | |
| 39 | K | 43.4 | Very low | 42.7 | Very low | 185 Ų | 185 | 157.2 Ų | 157.2 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -121.9 | 135.6 | 166.1 | -73.6 | -179.8 | 179.8 | 176.6 | 0 | 107.8 | L37 | L37-K39 PolarHBondContact O-N 3.15Š|
| 40 | N | 38.3 | Very low | 41.8 | Very low | 149 Ų | 149 | 153.5 Ų | 153.5 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | 91.3 | 78.9 | 177.3 | -36 | -17.6 | 0 | 0 | 0 | 113 | | |
| 41 | N | 37.8 | Very low | 41.1 | Very low | 148 Ų | 148 | 150.2 Ų | 150.2 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | -167.5 | 55.8 | 144.7 | -85.8 | -21.8 | 0 | 0 | 0 | 109.5 | | |
| 42 | N | 37.4 | Very low | 40.1 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | | | trans | -88.9 | 93.9 | 152.8 | -104.1 | -3.2 | 0 | 0 | 0 | 105.6 | | |
| 43 | I | 41.4 | Very low | 39.5 | Very low | 129 Ų | 129 | 150 Ų | 150 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | | | trans | -122.5 | 98.9 | 166.9 | -55.6 | 179.2 | 0 | 0 | 0 | 106.7 | Y45 | I43-Y45 PolarHBondContact O-N 3Š|
| 44 | N | 38.9 | Very low | 38.9 | Very low | 132 Ų | 132 | 152.3 Ų | 152.3 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | -52.2 | 120.5 | 164.8 | -72.8 | -19.6 | 0 | 0 | 0 | 109.1 | E46 | N44-E46 PolarHBondContact O-N 3.39Å; N44-E46 VanDerWaalsContact O-N 3.16Å |
| 45 | Y | 33.9 | Very low | 38.6 | Very low | 229 Ų | 229 | 151.9 Ų | 151.9 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | | | trans | -82.2 | 78.5 | 160.9 | -78.9 | -83.2 | 0 | 0 | 0 | 108.2 | I43 | I43-Y45 PolarHBondContact O-N 3Š|
| 46 | E | 39.2 | Very low | 38.2 | Very low | 166 Ų | 166 | 151.3 Ų | 151.3 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -102 | 125.2 | 160.8 | -78.8 | -168.7 | 158.5 | 0 | 0 | 109.6 | N44 N48 | N44-E46 PolarHBondContact O-N 3.39Å; N44-E46 VanDerWaalsContact O-N 3.16Å; E46-N48 PolarHBondContact O-N 2.97Å |
| 47 | N | 33.1 | Very low | 37.6 | Very low | 155 Ų | 155 | 153 Ų | 153 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | | | trans | -27.1 | 127 | 161.2 | -77.5 | -38.5 | 0 | 0 | 0 | 112.8 | | |
| 48 | N | 36.3 | Very low | 37.3 | Very low | 163 Ų | 163 | 155.1 Ų | 155.1 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | | | trans | -156.5 | 103 | 143.1 | -86.2 | -40.4 | 0 | 0 | 0 | 110.1 | E46 | E46-N48 PolarHBondContact O-N 2.97Š|
| 49 | N | 31.6 | Very low | 36.8 | Very low | 157 Ų | 157 | 152.7 Ų | 152.7 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | | | trans | -58.7 | 157.7 | 156.4 | -85.9 | -30.5 | 0 | 0 | 0 | 110.1 | | |
| 50 | S | 34.3 | Very low | 36.5 | Very low | 106 Ų | 106 | 152.3 Ų | 152.3 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | | | trans | 76.2 | 97.9 | 170.5 | 74.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 51 | N | 36.5 | Very low | 36.4 | Very low | 161 Ų | 161 | 150.9 Ų | 150.9 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | trans | -147.1 | 99.9 | 136.3 | -94.2 | -36.1 | 0 | 0 | 0 | 109.9 | V53 | N51-V53 PolarHBondContact O-N 3.39Š|
| 52 | L | 30.8 | Very low | 36.5 | Very low | 164 Ų | 164 | 150 Ų | 150 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | trans | -70.1 | 103.4 | 171 | -165.5 | 84.7 | 0 | 0 | 0 | 107.8 | | |
| 53 | V | 37.2 | Very low | 36.7 | Very low | 133 Ų | 133 | 150.9 Ų | 150.9 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | | | trans | -110.8 | 111.3 | 169.4 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | N51 | N51-V53 PolarHBondContact O-N 3.39Š|
| 54 | K | 34.1 | Very low | 36.6 | Very low | 188 Ų | 188 | 154.1 Ų | 154.1 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | | | trans | -58.8 | 128.3 | 172.2 | -66.9 | 167.2 | 175.5 | 175.1 | 0 | 110.2 | | |
| 55 | A | 39.7 | Very low | 36.9 | Very low | 79 Ų | 79 | 157.5 Ų | 157.5 | 65% | 0.653 | 81% | 0.812 | S | S | * | * | | | trans | -156.4 | 102.4 | 152.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 56 | N | 40 | Very low | 37.2 | Very low | 151 Ų | 151 | 155.3 Ų | 155.3 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | | | | 77.1 | 92.8 | 129.6 | -48.3 | -10.9 | 0 | 0 | 0 | 118.6 | | |
| 57 | T | 33.6 | Very low | 37 | Very low | 137 Ų | 137 | 155.4 Ų | 155.4 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | | | trans | -16.3 | 118.4 | 146.8 | 52.4 | 0 | 0 | 0 | 0 | 116.4 | | |
| 58 | K | 40.5 | Very low | 37.3 | Very low | 186 Ų | 186 | 155 Ų | 155 | 81% | 0.809 | 81% | 0.808 | S | S | * | * | | | trans | -143.5 | 99.8 | 149.5 | -139.8 | 171.8 | -172.5 | 177.9 | 0 | 110 | F60 | K58-F60 PolarHBondContact O-N 3.35Š|
| 59 | T | 34.8 | Very low | 37.6 | Very low | 125 Ų | 125 | 154 Ų | 154 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | | | trans | -62.1 | 119.2 | 173.9 | -46.5 | 0 | 0 | 0 | 0 | 109.8 | V61 | T59-V61 HydrophobicContact CG2-CG2 4.25Š|
| 60 | F | 37.8 | Very low | 37.9 | Very low | 177 Ų | 177 | 153.2 Ų | 153.2 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | -109 | 108.7 | 160.4 | -91.6 | -84.2 | 0 | 0 | 0 | 108.4 | K58 V62 | K58-F60 PolarHBondContact O-N 3.35Å; F60-V62 PolarHBondContact O-N 2.92Å |
| 61 | V | 36.1 | Very low | 38.1 | Very low | 119 Ų | 119 | 157.5 Ų | 157.5 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | | | trans | -73.3 | 111.7 | 165.4 | 174.3 | 0 | 0 | 0 | 0 | 106.7 | T59 | T59-V61 HydrophobicContact CG2-CG2 4.25Š|
| 62 | V | 39.2 | Very low | 38.5 | Very low | 130 Ų | 130 | 157.5 Ų | 157.5 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | | | trans | -114.4 | 114.1 | 163.9 | 177.9 | 0 | 0 | 0 | 0 | 106.9 | F60 | F60-V62 PolarHBondContact O-N 2.92Š|
| 63 | K | 42.8 | Very low | 38.7 | Very low | 182 Ų | 182 | 159.3 Ų | 159.3 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | -59.6 | 128.8 | 179.2 | -73.7 | 176.4 | 172.5 | -179.7 | 0 | 110.3 | K65 | K63-K65 PolarHBondContact O-N 3.33Š|
| 64 | Q | 37.8 | Very low | 39 | Very low | 197 Ų | 197 | 160.6 Ų | 160.6 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | | | trans | -56 | 128.7 | 154.1 | -86.3 | 170.5 | -40.2 | 0 | 0 | 108.9 | | |
| 65 | K | 46.4 | Very low | 39.5 | Very low | 202 Ų | 202 | 158.1 Ų | 158.1 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | | | trans | -115.2 | 131.8 | 153.8 | -91.9 | -171 | 171.7 | -171.5 | 0 | 107.2 | K63 | K63-K65 PolarHBondContact O-N 3.33Š|
| 66 | Q | 39.4 | Very low | 39.6 | Very low | 184 Ų | 184 | 160.5 Ų | 160.5 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | -60.6 | 154.9 | 179.5 | -78.8 | 166.6 | -77.7 | 0 | 0 | 112.8 | | |
| 67 | E | 35.2 | Very low | 39.7 | Very low | 167 Ų | 167 | 160.6 Ų | 160.6 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | | | trans | -38.6 | 141.7 | 164.6 | -63.5 | 154.1 | 154.7 | 0 | 0 | 113.2 | | |
| 68 | D | 39 | Very low | 40 | Very low | 146 Ų | 146 | 161.9 Ų | 161.9 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | | | | 178.4 | 153.8 | 108.4 | -82 | -27.8 | 0 | 0 | 0 | 108.8 | | |
| 69 | D | 42.9 | Very low | 40.3 | Very low | 143 Ų | 143 | 161.1 Ų | 161.1 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | | | trans | 102.9 | 102.8 | 165.4 | -60.8 | -20.8 | 0 | 0 | 0 | 119.7 | | |
| 70 | L | 38.6 | Very low | 40.5 | Very low | 140 Ų | 140 | 162.5 Ų | 162.5 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | | | | 90.3 | 107.4 | 128.1 | -65.9 | 160.1 | 0 | 0 | 0 | 119.2 | | |
| 71 | Y | 37.4 | Very low | 40.9 | Very low | 196 Ų | 196 | 161.9 Ų | 161.9 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | 21.7 | 135.7 | 136.7 | -63.6 | -97.9 | 0 | 0 | 0 | 117.9 | | |
| 72 | Q | 45.8 | Very low | 41.4 | Very low | 161 Ų | 161 | 164.8 Ų | 164.8 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | | | cis | -166.6 | 136.6 | 49 | -133.9 | 108.5 | 18 | 0 | 0 | 109.2 | | |
| 73 | R | 34.8 | Very low | 41.6 | Very low | 202 Ų | 202 | 163.5 Ų | 163.5 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | | | trans | -76.4 | 124.8 | 169.4 | 179.1 | -170.6 | -80.1 | 160.1 | -7.2 | 108.7 | E75 | R73-E75 HydrophobicContact CG-CG 4.13Š|
| 74 | N | 42.1 | Very low | 41.6 | Very low | 160 Ų | 160 | 163.7 Ų | 163.7 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | -122.3 | 98.3 | 159.2 | -74.6 | -25.7 | 0 | 0 | 0 | 106.8 | | |
| 75 | E | 45.7 | Very low | 41.8 | Very low | 136 Ų | 136 | 161.9 Ų | 161.9 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | trans | -87.1 | 146.5 | 163.8 | -81.3 | 173.1 | -178.2 | 0 | 0 | 108.6 | R73 | R73-E75 HydrophobicContact CG-CG 4.13Š|
| 76 | D | 41.6 | Very low | 41.6 | Very low | 129 Ų | 129 | 156.5 Ų | 156.5 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | | | trans | 71.5 | 106.1 | 147.7 | -54.7 | -17.6 | 0 | 0 | 0 | 117.7 | | |
| 77 | L | 41.4 | Very low | 41.7 | Very low | 154 Ų | 154 | 153.2 Ų | 153.2 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | | | | 60.5 | 105.4 | 93.1 | -73.5 | 170.2 | 0 | 0 | 0 | 111.2 | | |
| 78 | D | 41.7 | Very low | 42.4 | Very low | 164 Ų | 164 | 152 Ų | 152 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | | | trans | -150.2 | 129.1 | 142.5 | -99.2 | -30.3 | 0 | 0 | 0 | 113.1 | | |
| 79 | L | 44.9 | Very low | 43 | Very low | 170 Ų | 170 | 152.5 Ų | 152.5 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | | | trans | -75.5 | 118.6 | 171 | -75.8 | 154.4 | 0 | 0 | 0 | 108 | D81 | L79-D81 PolarHBondContact O-N 2.89Š|
| 80 | N | 39.6 | Very low | 43.3 | Very low | 153 Ų | 153 | 152.8 Ų | 152.8 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | trans | -83.9 | 107.8 | 162.5 | -76.8 | -31.3 | 0 | 0 | 0 | 108.7 | | |
| 81 | D | 47.3 | Very low | 43.8 | Very low | 165 Ų | 165 | 153.6 Ų | 153.6 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | | | trans | -133.4 | 95.5 | 145.2 | -88 | -25.9 | 0 | 0 | 0 | 107.3 | L79 | L79-D81 PolarHBondContact O-N 2.89Š|
| 82 | E | 45.2 | Very low | 44.5 | Very low | 180 Ų | 180 | 151.1 Ų | 151.1 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | | | trans | 18.2 | 116.6 | 143 | -76.4 | -167.9 | -168.7 | 0 | 0 | 119.8 | | |
| 83 | T | 44 | Very low | 44.5 | Very low | 102 Ų | 102 | 148.5 Ų | 148.5 | 63% | 0.626 | 74% | 0.74 | S | S | * | * | | | | 116.3 | 116.4 | 112.7 | -68.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 84 | Y | 42.1 | Very low | 45.1 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | | | trans | 103.4 | 110.1 | 149 | -76.1 | -45.9 | 0 | 0 | 0 | 123 | | |
| 85 | H | 43.7 | Very low | 45.2 | Very low | 159 Ų | 159 | 147.6 Ų | 147.6 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | | | trans | 58.3 | 135.6 | 133.1 | -67.6 | -41.6 | 0 | 0 | 0 | 119.9 | | |
| 86 | S | 41.5 | Very low | 45.3 | Very low | 89 Ų | 89 | 147.5 Ų | 147.5 | 62% | 0.622 | 73% | 0.734 | S | S | * | * | | | cis | -168 | 148.5 | 2.3 | -82.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 87 | T | 41.7 | Very low | 45.5 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | | | trans | 33.2 | 144.7 | 142.6 | 66.4 | 0 | 0 | 0 | 0 | 121 | | |
| 88 | E | 49.8 | Very low | 45.6 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 66% | 0.664 | 72% | 0.722 | S | S | * | * | | | cis | -170.3 | 145.5 | 37 | -120.2 | 136.6 | -117.9 | 0 | 0 | 108.3 | | |
| 89 | E | 51 | Low | 45.9 | Very low | 155 Ų | 155 | 146.3 Ų | 146.3 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | | | trans | 59.1 | 138.8 | 136 | -62.7 | 173.1 | -171.9 | 0 | 0 | 119.8 | | |
| 90 | E | 49.6 | Very low | 46.3 | Very low | 150 Ų | 150 | 145.5 Ų | 145.5 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | | | cis | -170.3 | 144.2 | 15.5 | -118.7 | 170.1 | -173.1 | 0 | 0 | 108.1 | | |
| 91 | E | 49.8 | Very low | 46.9 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | | | | 43.1 | 140.1 | 129.4 | -67 | -168.5 | 172 | 0 | 0 | 121.1 | | |
| 92 | E | 50.7 | Low | 46.5 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 67% | 0.668 | 69% | 0.693 | S | S | * | * | | | cis | -175.5 | 149.2 | 20.1 | -119.8 | -171.3 | 155.6 | 0 | 0 | 110.9 | | |
| 93 | N | 45.8 | Very low | 46.1 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 57% | 0.567 | 69% | 0.691 | S | S | * | * | | | trans | 56 | 109.7 | 140.5 | -62.2 | -32 | 0 | 0 | 0 | 122.3 | | |
| 94 | K | 48.7 | Very low | 46 | Very low | 184 Ų | 184 | 141.5 Ų | 141.5 | 80% | 0.8 | 69% | 0.692 | S | S | * | * | | | | 67.8 | 124.1 | 83.4 | -74.7 | 179.6 | -178.1 | 170.4 | 0 | 114.8 | | |
| 95 | K | 44.5 | Very low | 45.9 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 69% | 0.691 | 70% | 0.696 | S | S | * | * | | | | 155.8 | 132.7 | 83.6 | -136.8 | 177.4 | 168.6 | -176.7 | 0 | 111.9 | | |
| 96 | E | 45.9 | Very low | 45.8 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 63% | 0.631 | 70% | 0.699 | S | S | * | * | | | trans | 60.3 | 147.4 | 137.6 | -78.4 | 170.9 | -160 | 0 | 0 | 120 | | |
| 97 | K | 46.9 | Very low | 45.8 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 59% | 0.591 | 71% | 0.707 | S | S | * | * | | | cis | -171.9 | 137 | 24.2 | -119.4 | 161 | 176.7 | -83.8 | 0 | 107.2 | | |
| 98 | E | 43.3 | Very low | 45.6 | Very low | 143 Ų | 143 | 138.5 Ų | 138.5 | 67% | 0.668 | 70% | 0.704 | S | S | * | * | | | | 79.5 | 153.5 | 104.7 | -78.3 | 176.4 | -175.9 | 0 | 0 | 116.3 | | |
| 99 | D | 48.1 | Very low | 44.9 | Very low | 143 Ų | 143 | 141 Ų | 141 | 77% | 0.765 | 71% | 0.713 | S | S | * | * | | | trans | 94 | 135.6 | 170 | -49.5 | -15.7 | 0 | 0 | 0 | 116.5 | | |
| 100 | E | 53.5 | Low | 44.3 | Very low | 152 Ų | 152 | 143 Ų | 143 | 71% | 0.71 | 72% | 0.722 | S | S | * | * | | | cis | -179.9 | 156.8 | -25.7 | -128 | -171.9 | -157.9 | 0 | 0 | 105.4 | | |
| 101 | N | 51.2 | Low | 43.7 | Very low | 116 Ų | 116 | 145 Ų | 145 | 62% | 0.62 | 73% | 0.728 | S | S | * | * | | | trans | 85.6 | 104.9 | 149.5 | -57.5 | -31 | 0 | 0 | 0 | 122.6 | | |
| 102 | N | 40.1 | Very low | 43.7 | Very low | 140 Ų | 140 | 142.8 Ų | 142.8 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | | | | 60.5 | 127.9 | 117.3 | -64 | -32.6 | 0 | 0 | 0 | 120.7 | | |
| 103 | L | 36.8 | Very low | 43.2 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | | | | 159.1 | 118.8 | 93 | -157.2 | 72.8 | 0 | 0 | 0 | 110.8 | | |
| 104 | V | 40.5 | Very low | 43 | Very low | 109 Ų | 109 | 144 Ų | 144 | 66% | 0.661 | 74% | 0.743 | S | S | * | * | | | trans | 49.6 | 125.7 | 131.4 | -170.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 105 | E | 40.1 | Very low | 42.6 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | | | | 177.2 | 150.4 | 69.3 | -145.7 | 151.4 | -150.9 | 0 | 0 | 109.8 | | |
| 106 | S | 41.6 | Very low | 42.4 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | | | trans | -138.7 | 143.2 | 163.2 | -62.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 107 | P | 42 | Very low | 42.5 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | | | | -154.1 | 142.1 | 113.9 | 31.2 | -10.1 | 0 | 0 | 0 | 113.7 | | |
| 108 | A | 36.9 | Very low | 42.2 | Very low | 78 Ų | 78 | 139.9 Ų | 139.9 | 65% | 0.645 | 74% | 0.742 | S | S | * | * | | | | 89.9 | 129.5 | 71.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 109 | F | 35.2 | Very low | 42.1 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | | | trans | 70.8 | 121.7 | 155.5 | -62.1 | -76.6 | 0 | 0 | 0 | 122.6 | | |
| 110 | H | 38.8 | Very low | 41.9 | Very low | 198 Ų | 198 | 141.7 Ų | 141.7 | 92% | 0.917 | 74% | 0.741 | S | S | * | * | | | | -167.9 | 126.3 | 120.9 | -101.1 | -73.7 | 0 | 0 | 0 | 112.4 | | |
| 111 | K | 37.2 | Very low | 41.6 | Very low | 193 Ų | 193 | 140.7 Ų | 140.7 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | | | trans | -114.6 | -176.4 | 157.4 | -109.3 | -176.5 | -176.1 | -178.3 | 0 | 105.5 | | |
| 112 | P | 49.6 | Very low | 41.1 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 71% | 0.714 | 74% | 0.742 | S | S | * | * | | | cis | -132.3 | -163.8 | -23.6 | 32.6 | -10.6 | 0 | 0 | 0 | 111.5 | | |
| 113 | V | 41.2 | Very low | 41 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 79% | 0.788 | 75% | 0.748 | S | S | * | * | | | trans | 159 | 139.6 | 130.2 | 165.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 114 | N | 40.3 | Very low | 41 | Very low | 145 Ų | 145 | 141.6 Ų | 141.6 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | | | trans | -81.3 | 170.1 | -179.2 | -62.5 | -46.5 | 0 | 0 | 0 | 113.2 | | |
| 115 | D | 40.8 | Very low | 40.8 | Very low | 148 Ų | 148 | 142 Ų | 142 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | | | trans | 177 | 108.6 | 132 | -89 | -15 | 0 | 0 | 0 | 108.6 | | |
| 116 | S | 41.5 | Very low | 40.6 | Very low | 91 Ų | 91 | 140.3 Ų | 140.3 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | | | | 59.3 | 118.1 | 96.8 | 63 | 0 | 0 | 0 | 0 | 115 | | |
| 117 | D | 46.1 | Very low | 41.1 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | | | | 166.3 | 131.6 | 100.1 | -107.7 | -12.3 | 0 | 0 | 0 | 114.5 | | |
| 118 | R | 40.8 | Very low | 41 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | | | | 76.9 | 120.9 | 127.8 | -74.3 | 170.7 | -179.3 | -171.5 | -8.4 | 123.5 | | |
| 119 | R | 42.8 | Very low | 41.7 | Very low | 204 Ų | 204 | 148.7 Ų | 148.7 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | | 79.3 | 147.8 | 126.5 | -68.9 | -179.4 | -68.4 | -174.6 | -3.9 | 117.3 | | |
| 120 | N | 42.8 | Very low | 42.3 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 64% | 0.642 | 75% | 0.751 | S | S | * | * | | | cis | -179.6 | 165 | -17.7 | -163.3 | -7.9 | 0 | 0 | 0 | 105.7 | | |
| 121 | M | 48.1 | Very low | 42.8 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | | | trans | 97.9 | 104 | 155.7 | -50.2 | -50.3 | 178.8 | 0 | 0 | 121.1 | | |
| 122 | N | 40.1 | Very low | 43.2 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | | | | 60 | 120.3 | 115.3 | -54 | -18.9 | 0 | 0 | 0 | 119.6 | | |
| 123 | K | 38.6 | Very low | 43.2 | Very low | 204 Ų | 204 | 141 Ų | 141 | 89% | 0.887 | 74% | 0.735 | S | S | * | * | | | | 105.2 | 140.4 | 61 | -165.2 | 174.7 | -170.5 | 179.3 | 0 | 109.5 | | |
| 124 | A | 36.1 | Very low | 43.8 | Very low | 92 Ų | 92 | 139.9 Ų | 139.9 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | | | trans | 108.7 | 144.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 125 | V | 37.1 | Very low | 44.3 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 72% | 0.721 | 72% | 0.724 | S | S | * | * | | | cis | -168 | 136.1 | -8 | 137 | 0 | 0 | 0 | 0 | 103.2 | K127 | V125-K127 HydrophobicContact CG1-CG 4.38Š|
| 126 | V | 36.1 | Very low | 44.8 | Very low | 138 Ų | 138 | 136 Ų | 136 | 84% | 0.836 | 72% | 0.715 | S | S | * | * | | | trans | -95.8 | 135.8 | 169 | 172.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 127 | K | 50.8 | Low | 45.3 | Very low | 186 Ų | 186 | 138.1 Ų | 138.1 | 81% | 0.809 | 72% | 0.72 | S | S | * | * | | | trans | -114 | 136.4 | 170.2 | -85.7 | -174.1 | 174.3 | -175.5 | 0 | 109.3 | V125 | V125-K127 HydrophobicContact CG1-CG 4.38Š|
| 128 | D | 41.2 | Very low | 45.7 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | | | trans | -63.3 | 165.4 | 174.4 | -45 | -63.3 | 0 | 0 | 0 | 112.6 | | |
| 129 | I | 50.2 | Low | 46.2 | Very low | 169 Ų | 169 | 135.6 Ų | 135.6 | 87% | 0.867 | 72% | 0.719 | S | S | * | * | | | trans | -163 | 123.8 | 133.4 | -89.5 | 143.8 | 0 | 0 | 0 | 108.4 | | |
| 130 | D | 47.3 | Very low | 46.9 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 68% | 0.684 | 71% | 0.714 | S | S | * | * | | | trans | -73 | 167.2 | 175.5 | -58.7 | -61.7 | 0 | 0 | 0 | 114.1 | | |
| 131 | N | 49.3 | Very low | 47.4 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | | | | 157.1 | 112.2 | 125.3 | -79.1 | -15.5 | 0 | 0 | 0 | 109.1 | | |
| 132 | D | 45.5 | Very low | 47.1 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 72% | 0.717 | 72% | 0.721 | S | S | * | * | | | | 74.4 | 138.6 | 81.5 | -85.4 | 4.5 | 0 | 0 | 0 | 111.6 | | |
| 133 | L | 50.8 | Low | 47.3 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 71% | 0.707 | 72% | 0.72 | S | S | * | * | | | cis | -180 | 148.6 | -0.3 | -115.5 | 173.8 | 0 | 0 | 0 | 107 | | |
| 134 | V | 54.3 | Low | 47.5 | Very low | 106 Ų | 106 | 131 Ų | 131 | 64% | 0.642 | 72% | 0.717 | S | S | * | * | | | trans | 53.8 | 139.6 | 150 | -133.8 | 0 | 0 | 0 | 0 | 124.5 | | |
| 135 | S | 49.8 | Very low | 47.5 | Very low | 97 Ų | 97 | 132 Ų | 132 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | | | | 109.7 | 140.2 | 129.6 | -70.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 136 | D | 50.6 | Low | 47.7 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 62% | 0.615 | 72% | 0.719 | S | S | * | * | | | cis | 175.7 | 151.4 | -17.7 | -96.5 | -32.5 | 0 | 0 | 0 | 103.5 | | |
| 137 | D | 53.1 | Low | 48.5 | Very low | 136 Ų | 136 | 129.5 Ų | 129.5 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | | | trans | 62.8 | 147.5 | 150.7 | -55.2 | -16.8 | 0 | 0 | 0 | 119.1 | | |
| 138 | D | 54.2 | Low | 48 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 67% | 0.668 | 71% | 0.709 | S | S | * | * | | | cis | -171.3 | 155.9 | -4.5 | -110.7 | -28.2 | 0 | 0 | 0 | 107.4 | | |
| 139 | D | 51.8 | Low | 48.3 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 58% | 0.583 | 72% | 0.715 | S | S | * | * | | | trans | 72.9 | 121.6 | 137.9 | -77.4 | -13.5 | 0 | 0 | 0 | 125.5 | | |
| 140 | K | 57.1 | Low | 47.8 | Very low | 152 Ų | 152 | 129 Ų | 129 | 66% | 0.661 | 71% | 0.711 | S | S | * | * | | | | 89.5 | 113.6 | 122.1 | -74.8 | -175.5 | -179.3 | 115.4 | 0 | 120.2 | | |
| 141 | E | 53 | Low | 47.6 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | | | | 89.5 | 147.3 | 101.1 | -66.4 | -102.2 | 176.7 | 0 | 0 | 110.8 | | |
| 142 | E | 42.9 | Very low | 47.3 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 72% | 0.715 | 71% | 0.714 | S | S | * | * | | | cis | -174.3 | 150.4 | -21.6 | -162.9 | -170.2 | -155.3 | 0 | 0 | 102.7 | | |
| 143 | S | 43.6 | Very low | 47 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | | | trans | 69.3 | 149.5 | 153.9 | 75.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 144 | V | 42.1 | Very low | 46.6 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | | | cis | -168.7 | 152.7 | 6.6 | -116.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 145 | S | 36.6 | Very low | 45.7 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | | | trans | 79.2 | 96 | 140.6 | -158.7 | 0 | 0 | 0 | 0 | 123.2 | | |
| 146 | S | 41.4 | Very low | 45.6 | Very low | 106 Ų | 106 | 142 Ų | 142 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | | | | -7.5 | 178.4 | 126.4 | -113.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 147 | P | 53.4 | Low | 45.1 | Very low | 99 Ų | 99 | 145.7 Ų | 145.7 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | | | cis | -141.1 | 178.6 | -42.7 | 31.6 | -10.1 | 0 | 0 | 0 | 113.2 | | |
| 148 | D | 39.2 | Very low | 44.4 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | | | | 164.9 | 159.1 | 127.8 | -87 | -21.2 | 0 | 0 | 0 | 114.2 | | |
| 149 | E | 47.2 | Very low | 43.8 | Very low | 176 Ų | 176 | 146.8 Ų | 146.8 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | trans | 107.2 | 76 | 164.1 | -56.6 | -165.8 | 169.8 | 0 | 0 | 119.9 | | |
| 150 | I | 41.5 | Very low | 43 | Very low | 152 Ų | 152 | 150.9 Ų | 150.9 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | | 44.5 | 108.4 | 108.5 | -50.4 | 158.5 | 0 | 0 | 0 | 118 | | |
| 151 | S | 43 | Very low | 42.3 | Very low | 95 Ų | 95 | 149.9 Ų | 149.9 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | | | | 145.7 | 145.5 | 109.2 | 61.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 152 | N | 43.3 | Very low | 41.5 | Very low | 152 Ų | 152 | 149.2 Ų | 149.2 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | | | trans | 95.1 | 76.9 | 151.9 | -55.5 | -35.4 | 0 | 0 | 0 | 119.5 | | |
| 153 | I | 37.4 | Very low | 41.4 | Very low | 169 Ų | 169 | 147.1 Ų | 147.1 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | | | trans | -80.5 | 122.6 | 153.9 | -65.4 | 170.7 | 0 | 0 | 0 | 109.4 | | |
| 154 | R | 42.3 | Very low | 41.2 | Very low | 246 Ų | 246 | 153.3 Ų | 153.3 | 93% | 0.928 | 80% | 0.803 | S | S | * | * | | | trans | -110.4 | 111 | 162.7 | -145.6 | 177.8 | -167.2 | -173.9 | 4 | 109.3 | | |
| 155 | R | 35.9 | Very low | 41.1 | Very low | 228 Ų | 228 | 153.8 Ų | 153.8 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -64.1 | 133.3 | 171.8 | -101.6 | 173.4 | 176.2 | 164.6 | 0.6 | 111.1 | | |
| 156 | S | 48.9 | Very low | 41.2 | Very low | 119 Ų | 119 | 153.4 Ų | 153.4 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | trans | -142.8 | 124.2 | 142.6 | 49.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 157 | K | 40.2 | Very low | 41.4 | Very low | 194 Ų | 194 | 154 Ų | 154 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | -69.1 | 149.7 | 172.8 | -58.3 | 173 | 175.4 | 177.7 | 0 | 108.9 | | |
| 158 | S | 38.1 | Very low | 40.4 | Very low | 95 Ų | 95 | 156 Ų | 156 | 66% | 0.664 | 80% | 0.803 | S | S | * | * | | | trans | 172.4 | 114.8 | 131.1 | 173 | 0 | 0 | 0 | 0 | 113.8 | | |
| 159 | K | 41.8 | Very low | 40.9 | Very low | 189 Ų | 189 | 161 Ų | 161 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | | | trans | 65.7 | 121.6 | 131.8 | -58.2 | 174.9 | -175.2 | 176.2 | 0 | 120.6 | | |
| 160 | H | 35 | Very low | 40.4 | Very low | 194 Ų | 194 | 161.1 Ų | 161.1 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | | | trans | -26 | 129.7 | 151 | -68 | -89.1 | 0 | 0 | 0 | 114.9 | | |
| 161 | V | 42.3 | Very low | 40.7 | Very low | 132 Ų | 132 | 159.2 Ų | 159.2 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | | | trans | -151.1 | 116.6 | 142.1 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 162 | T | 35.2 | Very low | 40.7 | Very low | 141 Ų | 141 | 160.2 Ų | 160.2 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | | | trans | -63.4 | 131 | 160.9 | 41.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 163 | S | 41.8 | Very low | 40.8 | Very low | 109 Ų | 109 | 158.5 Ų | 158.5 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | | | trans | -153.1 | 105.5 | 168.7 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 164 | R | 37.6 | Very low | 41.3 | Very low | 227 Ų | 227 | 157.6 Ų | 157.6 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | | | trans | -67 | 135.7 | 155.7 | -73.4 | 174.3 | 165 | 161.8 | -4.9 | 107.3 | | |
| 165 | N | 41.2 | Very low | 41.3 | Very low | 145 Ų | 145 | 152.2 Ų | 152.2 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | | | trans | 166.1 | 121.9 | 130.6 | -80 | -20.2 | 0 | 0 | 0 | 113.3 | | |
| 166 | S | 38.6 | Very low | 41.6 | Very low | 106 Ų | 106 | 147.8 Ų | 147.8 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | | | trans | 76.9 | 158.5 | 132.4 | -61.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 167 | P | 45.2 | Very low | 41.5 | Very low | 119 Ų | 119 | 149.9 Ų | 149.9 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | cis | -137.6 | 151.6 | 21.1 | 37.1 | -16.3 | 0 | 0 | 0 | 119 | | |
| 168 | I | 33.4 | Very low | 41.6 | Very low | 139 Ų | 139 | 149.5 Ų | 149.5 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | trans | -50.4 | 135.7 | 158.6 | -71.8 | 160.1 | 0 | 0 | 0 | 111.6 | Q170 | I168-Q170 HydrophobicContact CG2-CG 3.77Š|
| 169 | R | 48.1 | Very low | 41.6 | Very low | 253 Ų | 253 | 154.3 Ų | 154.3 | 96% | 0.955 | 79% | 0.792 | S | S | * | * | | | trans | -114.6 | 115.4 | 152 | -85.8 | -174.8 | 172.1 | -115.4 | 0.7 | 108.6 | | |
| 170 | Q | 37.6 | Very low | 41.8 | Very low | 179 Ų | 179 | 154.4 Ų | 154.4 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | | | trans | -83.8 | 145.6 | 167.1 | -69.3 | 172.5 | -17.5 | 0 | 0 | 109.4 | I168 | I168-Q170 HydrophobicContact CG2-CG 3.77Š|
| 171 | S | 48.7 | Very low | 42 | Very low | 113 Ų | 113 | 153.9 Ų | 153.9 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | -143.3 | 134.1 | 144.3 | 64.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 172 | P | 43 | Very low | 41.7 | Very low | 115 Ų | 115 | 153.8 Ų | 153.8 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | | | trans | -95.3 | 176.2 | -174.1 | 38.7 | -34.6 | 0 | 0 | 0 | 112.8 | | |
| 173 | D | 44.1 | Very low | 42 | Very low | 117 Ų | 117 | 157.4 Ų | 157.4 | 63% | 0.626 | 79% | 0.788 | S | S | * | * | | | trans | 112.6 | 106.7 | 150.2 | -83.4 | -9 | 0 | 0 | 0 | 120 | | |
| 174 | K | 48.3 | Very low | 41.8 | Very low | 150 Ų | 150 | 158.3 Ų | 158.3 | 65% | 0.652 | 79% | 0.791 | S | S | * | * | | | | 97.6 | 101.6 | 121.3 | -71.6 | 168.9 | -177.3 | 149.1 | 0 | 120.1 | | |
| 175 | N | 42.6 | Very low | 41.6 | Very low | 133 Ų | 133 | 150.4 Ų | 150.4 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | | 84 | 113.7 | 118.7 | -59.5 | -4.6 | 0 | 0 | 0 | 120.3 | | |
| 176 | N | 42.3 | Very low | 41.5 | Very low | 135 Ų | 135 | 153 Ų | 153 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | | | trans | 56.7 | 108.4 | 132.3 | -62.3 | -8 | 0 | 0 | 0 | 118.6 | | |
| 177 | N | 46.4 | Very low | 41.5 | Very low | 163 Ų | 163 | 154.6 Ų | 154.6 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | | | | -175.2 | 137.7 | 95.6 | -89.7 | -37.5 | 0 | 0 | 0 | 112.1 | | |
| 178 | Q | 42.3 | Very low | 41 | Very low | 186 Ų | 186 | 153.8 Ų | 153.8 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | | | trans | -73.3 | 137 | -174.2 | -60 | 174.1 | -2.2 | 0 | 0 | 111.9 | | |
| 179 | K | 38.9 | Very low | 41.6 | Very low | 195 Ų | 195 | 153.7 Ų | 153.7 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | | | trans | 155.3 | 109.2 | 134.7 | -90.2 | 169.7 | 176.7 | 175.4 | 0 | 109.3 | | |
| 180 | K | 45.8 | Very low | 41.1 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | | | trans | 170.5 | 125.3 | 131.5 | -92.1 | 160.8 | -174.2 | -175.2 | 0 | 112.6 | | |
| 181 | Q | 39.1 | Very low | 41.1 | Very low | 183 Ų | 183 | 143.6 Ų | 143.6 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | | | trans | 59.1 | 97.2 | 139.9 | -69.4 | 179.8 | 1.2 | 0 | 0 | 119.3 | R183 | Q181-R183 PolarHBondContact O-N 3.07Š|
| 182 | T | 36 | Very low | 40.7 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | | | trans | -75 | 105.4 | 167.4 | -31.5 | 0 | 0 | 0 | 0 | 110 | | |
| 183 | R | 41.1 | Very low | 40.7 | Very low | 217 Ų | 217 | 146.8 Ų | 146.8 | 82% | 0.819 | 75% | 0.753 | S | S | * | * | | | trans | -47.6 | 158.2 | 148.3 | -82.5 | 175.4 | 162.8 | -178 | -5.4 | 109.8 | Q181 S185 | Q181-R183 PolarHBondContact O-N 3.07Å; R183-S185 PolarHBondContact O-N 3.36Å |
| 184 | P | 37.5 | Very low | 40.9 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | | | trans | -66.7 | 84.6 | 164.5 | 29.8 | -30.3 | 0 | 0 | 0 | 107.8 | F186 | P184-F186 PolarHBondContact O-N 2.86Š|
| 185 | S | 34 | Very low | 40.7 | Very low | 61 Ų | 61 | 150.3 Ų | 150.3 | 43% | 0.427 | 76% | 0.764 | S | S | . | * | | | trans | -67.4 | 117.5 | 171.3 | 161.1 | 0 | 0 | 0 | 0 | 105.9 | R183 H187 | R183-S185 PolarHBondContact O-N 3.36Å; S185-H187 PolarHBondContact O-CD2 3.19Å; S185-H187 PolarHBondContact O-N 3.39Å; S185-H187 PolarHBondContact OG-CE1 3.05Å; S185-H187 PolarHBondContact OG-ND1 2.86Å |
| 186 | F | 37.8 | Very low | 40.9 | Very low | 199 Ų | 199 | 149 Ų | 149 | 87% | 0.873 | 76% | 0.756 | S | S | * | * | | | trans | -57.2 | 90.3 | 159.4 | -68.5 | -86.5 | 0 | 0 | 0 | 107 | P184 S188 | P184-F186 PolarHBondContact O-N 2.86Å; F186-S188 PolarHBondContact O-N 2.87Å |
| 187 | H | 38.3 | Very low | 41.1 | Very low | 140 Ų | 140 | 148.2 Ų | 148.2 | 65% | 0.648 | 76% | 0.757 | S | S | * | * | | | trans | -69.4 | 85.9 | 164.8 | -60.7 | -62 | 0 | 0 | 0 | 105.8 | S185 T189 | S185-H187 PolarHBondContact O-CD2 3.19Å; S185-H187 PolarHBondContact O-N 3.39Å; S185-H187 PolarHBondContact OG-CE1 3.05Å; S185-H187 PolarHBondContact OG-ND1 2.86Å; H187-T189 PolarHBondContact O-N 3.2Å |
| 188 | S | 34.8 | Very low | 41 | Very low | 103 Ų | 103 | 146.1 Ų | 146.1 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | | | trans | -50.6 | 94.6 | 145.2 | -68.5 | 0 | 0 | 0 | 0 | 106 | F186 S190 | F186-S188 PolarHBondContact O-N 2.87Å; S188-S190 PolarHBondContact O-N 2.93Å |
| 189 | T | 46 | Very low | 41.2 | Very low | 136 Ų | 136 | 145 Ų | 145 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | | | trans | -72.8 | 74.2 | 165 | 51.8 | 0 | 0 | 0 | 0 | 106.5 | H187 N191 | H187-T189 PolarHBondContact O-N 3.2Å; T189-N191 PolarHBondContact O-N 2.87Å |
| 190 | S | 37.5 | Very low | 41.9 | Very low | 89 Ų | 89 | 144.1 Ų | 144.1 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | | | trans | -67 | 116.5 | 162.6 | 53 | 0 | 0 | 0 | 0 | 107.9 | S188 | S188-S190 PolarHBondContact O-N 2.93Š|
| 191 | N | 37.6 | Very low | 42.6 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 49.5 | 79.4 | 138.9 | -58.4 | -37.2 | 0 | 0 | 0 | 116.9 | T189 | T189-N191 PolarHBondContact O-N 2.87Š|
| 192 | L | 40.8 | Very low | 43.8 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | | | trans | -168.7 | 93.7 | 141.6 | -135.3 | 70.3 | 0 | 0 | 0 | 107.8 | | |
| 193 | D | 42.7 | Very low | 45.9 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 72% | 0.717 | 72% | 0.717 | S | S | * | * | | | trans | -177.3 | 34.7 | 152 | -85.7 | -17 | 0 | 0 | 0 | 110.3 | Y195 | D193-Y195 PolarHBondContact O-N 3.18Å; D193-Y195 VanDerWaalsContact O-N 3.15Å |
| 194 | I | 49 | Very low | 47.9 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 67% | 0.672 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -7.7 | 179.4 | -65.4 | 174.1 | 0 | 0 | 0 | 111.5 | | |
| 195 | Y | 43.1 | Very low | 50.2 | Low | 210 Ų | 210 | 127.4 Ų | 127.4 | 82% | 0.824 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146 | 60.1 | 175 | -63.4 | -81.1 | 0 | 0 | 0 | 111.6 | D193 | D193-Y195 PolarHBondContact O-N 3.18Å; D193-Y195 VanDerWaalsContact O-N 3.15Å |
| 196 | N | 47.3 | Very low | 52.7 | Low | 104 Ų | 104 | 130.7 Ų | 130.7 | 56% | 0.556 | 70% | 0.701 | S | S | * | * | | | trans | -110.3 | 80.7 | 159 | -162.4 | 4 | 0 | 0 | 0 | 109.1 | N198 | N196-N198 VanDerWaalsContact C-N 3.27Å; N196-N198 PolarHBondContact O-N 2.98Å; N196-N198 PolarHBondContact OD1-ND2 3.27Å |
| 197 | V | 46.6 | Very low | 55.1 | Low | 120 Ų | 120 | 125 Ų | 125 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | | | trans | -78 | 75.2 | 178.3 | -176 | 0 | 0 | 0 | 0 | 107.7 | | |
| 198 | N | 45.7 | Very low | 57.5 | Low | 118 Ų | 118 | 120.1 Ų | 120.1 | 63% | 0.631 | 66% | 0.663 | S | S | * | * | | | trans | -140.6 | 80.6 | 175.1 | -74.8 | -46.2 | 0 | 0 | 0 | 110.2 | N196 E200 | N196-N198 VanDerWaalsContact C-N 3.27Å; N196-N198 PolarHBondContact O-N 2.98Å; N196-N198 PolarHBondContact OD1-ND2 3.27Å; N198-E200 VanDerWaalsContact C-N 3.34Å; N198-E200 PolarHBondContact O-N 3.46Å |
| 199 | N | 45.6 | Very low | 60 | Low | 164 Ų | 164 | 120 Ų | 120 | 88% | 0.877 | 65% | 0.654 | S | S | * | * | | | trans | 44.7 | 31.5 | 140 | -64.5 | -9.3 | 0 | 0 | 0 | 120.9 | C201 | N199-C201 PolarHBondContact O-N 2.98Š|
| 200 | E | 54.3 | Low | 62 | Low | 175 Ų | 175 | 116.1 Ų | 116.1 | 82% | 0.818 | 64% | 0.636 | S | S | * | * | | | trans | -89.7 | 103.1 | 159.4 | -70.8 | -175.4 | -178.5 | 0 | 0 | 107.6 | N198 I202 | N198-E200 VanDerWaalsContact C-N 3.34Å; N198-E200 PolarHBondContact O-N 3.46Å; E200-I202 VanDerWaalsContact C-N 3.28Å; E200-I202 PolarHBondContact O-N 3.34Å |
| 201 | C | 59.2 | Low | 64.4 | Low | 124 Ų | 124 | 116.7 Ų | 116.7 | 84% | 0.838 | 63% | 0.631 | S | S | * | * | | | trans | -55.8 | 98.4 | 169.6 | 51.6 | 0 | 0 | 0 | 0 | 107.9 | N199 N203 | N199-C201 PolarHBondContact O-N 2.98Å; C201-N203 PolarHBondContact O-N 3.14Å |
| 202 | I | 65.9 | Low | 66.7 | Low | 115 Ų | 115 | 116.7 Ų | 116.7 | 59% | 0.59 | 63% | 0.625 | S | S | * | * | | | trans | -61.1 | 108 | 176 | -52.8 | 174.3 | 0 | 0 | 0 | 105.1 | E200 V204 I207 | E200-I202 VanDerWaalsContact C-N 3.28Å; E200-I202 PolarHBondContact O-N 3.34Å; I202-V204 PolarHBondContact O-N 3.3Å; I202-I207 HydrophobicContact CB-CD1 3.99Å; I202-I207 HydrophobicContact CB-CG1 4.36Å; I202-I207 HydrophobicContact CG2-CD1 3.59Å; I202-I207 HydrophobicContact CG2-CG1 3.41Å; I202-I207 VanDerWaalsContact CG2-CG1 3.41Å |
| 203 | N | 79.3 | Confident | 68.7 | Low | 91 Ų | 91 | 111.3 Ų | 111.3 | 49% | 0.487 | 60% | 0.601 | S | S | . | * | | | trans | -59 | 126.5 | -175.2 | -175.7 | -27.6 | 0 | 0 | 0 | 107.7 | C201 A205 Q206 I207 | C201-N203 PolarHBondContact O-N 3.14Å; N203-A205 PolarHBondContact O-N 3.33Å; N203-A205 WeakPolarHBondContact OD1-CB 3.28Å; N203-A205 PolarHBondContact OD1-N 3.27Å; N203-Q206 HydrophobicContact CB-CG 4.13Å; N203-Q206 WeakPolarHBondContact O-CA 3.16Å; N203-Q206 WeakPolarHBondContact O-CB 3.49Å; N203-Q206 PolarHBondContact O-N 3.47Å; N203-I207 PolarHBondContact O-N 3.05Å |
| 204 | V | 83 | Confident | 70.6 | Confident | 118 Ų | 118 | 110.2 Ų | 110.2 | 72% | 0.715 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -50.7 | -33.5 | -179.2 | 179 | 0 | 0 | 0 | 0 | 111 | I202 I207 A208 | I202-V204 PolarHBondContact O-N 3.3Å; V204-I207 PolarHBondContact O-N 2.77Å; V204-A208 WeakPolarHBondContact O-CB 3.47Å; V204-A208 PolarHBondContact O-N 3.37Å |
| 205 | A | 85 | Confident | 71.9 | Confident | 51 Ų | 51 | 108.5 Ų | 108.5 | 42% | 0.421 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.3 | -40.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N203 A208 D209 | N203-A205 PolarHBondContact O-N 3.33Å; N203-A205 WeakPolarHBondContact OD1-CB 3.28Å; N203-A205 PolarHBondContact OD1-N 3.27Å; A205-A208 PolarHBondContact O-N 3.15Å; A205-D209 WeakPolarHBondContact O-CB 3.21Å; A205-D209 PolarHBondContact O-N 3.45Å |
| 206 | Q | 87.4 | Confident | 73.5 | Confident | 130 Ų | 130 | 105.6 Ų | 105.6 | 61% | 0.607 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.3 | -38.8 | 178.1 | -68.2 | 178.5 | 2.3 | 0 | 0 | 111.6 | N203 D209 A210 | N203-Q206 HydrophobicContact CB-CG 4.13Å; N203-Q206 WeakPolarHBondContact O-CA 3.16Å; N203-Q206 WeakPolarHBondContact O-CB 3.49Å; N203-Q206 PolarHBondContact O-N 3.47Å; Q206-D209 PolarHBondContact O-N 3.38Å; Q206-A210 VanDerWaalsContact O-CB 3.25Å; Q206-A210 WeakPolarHBondContact O-CB 3.48Å; Q206-A210 PolarHBondContact O-N 3Å |
| 207 | I | 87.8 | Confident | 74.7 | Confident | 78 Ų | 78 | 107.1 Ų | 107.1 | 40% | 0.4 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.3 | -45.7 | 173.7 | -63.8 | 167.8 | 0 | 0 | 0 | 110 | I202 N203 V204 D209 A210 L211 | I202-I207 HydrophobicContact CB-CD1 3.99Å; I202-I207 HydrophobicContact CB-CG1 4.36Å; I202-I207 HydrophobicContact CG2-CD1 3.59Å; I202-I207 HydrophobicContact CG2-CG1 3.41Å; I202-I207 VanDerWaalsContact CG2-CG1 3.41Å; N203-I207 PolarHBondContact O-N 3.05Å; V204-I207 PolarHBondContact O-N 2.77Å; I207-D209 VanDerWaalsContact C-N 3.33Å; I207-D209 PolarHBondContact O-N 3.33Å; I207-A210 PolarHBondContact O-N 2.93Å; I207-L211 HydrophobicContact CG2-CD1 3.97Å; I207-L211 HydrophobicContact CG2-CG 4.36Å; I207-L211 WeakPolarHBondContact O-CB 3.42Å; I207-L211 WeakPolarHBondContact O-CG 3.4Å; I207-L211 PolarHBondContact O-N 3.46Å |
| 208 | A | 88.1 | Confident | 75.8 | Confident | 38 Ų | 38 | 104.1 Ų | 104.1 | 31% | 0.314 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.7 | -40.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V204 A205 K212 | V204-A208 WeakPolarHBondContact O-CB 3.47Å; V204-A208 PolarHBondContact O-N 3.37Å; A205-A208 PolarHBondContact O-N 3.15Å; A208-K212 WeakPolarHBondContact O-CB 3.26Å; A208-K212 WeakPolarHBondContact O-CG 3.48Å; A208-K212 PolarHBondContact O-N 2.86Å |
| 209 | D | 88.1 | Confident | 76.6 | Confident | 101 Ų | 101 | 105.5 Ų | 105.5 | 54% | 0.54 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.8 | -38.6 | 176.6 | -75.8 | -16.5 | 0 | 0 | 0 | 112.1 | A205 Q206 I207 K212 S213 | A205-D209 WeakPolarHBondContact O-CB 3.21Å; A205-D209 PolarHBondContact O-N 3.45Å; Q206-D209 PolarHBondContact O-N 3.38Å; I207-D209 VanDerWaalsContact C-N 3.33Å; I207-D209 PolarHBondContact O-N 3.33Å; D209-K212 PolarHBondContact O-N 2.9Å; D209-S213 VanDerWaalsContact O-CB 3.32Å; D209-S213 WeakPolarHBondContact O-CB 2.99Å; D209-S213 PolarHBondContact O-N 3.46Å |
| 210 | A | 87.7 | Confident | 77.5 | Confident | 54 Ų | 54 | 108.5 Ų | 108.5 | 45% | 0.446 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.8 | -47.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q206 I207 S213 F214 | Q206-A210 VanDerWaalsContact O-CB 3.25Å; Q206-A210 WeakPolarHBondContact O-CB 3.48Å; Q206-A210 PolarHBondContact O-N 3Å; I207-A210 PolarHBondContact O-N 2.93Å; A210-S213 PolarHBondContact O-N 3.3Å; A210-S213 PolarHBondContact O-OG 3.4Å; A210-F214 VanDerWaalsContact O-CB 3.3Å; A210-F214 WeakPolarHBondContact O-CB 3.39Å; A210-F214 PolarHBondContact O-N 2.83Å |
| 211 | L | 87.7 | Confident | 77.8 | Confident | 101 Ų | 101 | 105.5 Ų | 105.5 | 53% | 0.529 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 177.1 | -70.5 | 174.2 | 0 | 0 | 0 | 112.3 | I207 S213 F214 D215 | I207-L211 HydrophobicContact CG2-CD1 3.97Å; I207-L211 HydrophobicContact CG2-CG 4.36Å; I207-L211 WeakPolarHBondContact O-CB 3.42Å; I207-L211 WeakPolarHBondContact O-CG 3.4Å; I207-L211 PolarHBondContact O-N 3.46Å; L211-S213 VanDerWaalsContact C-N 3.28Å; L211-S213 PolarHBondContact O-N 3.26Å; L211-F214 WeakPolarHBondContact O-CB 3.37Å; L211-F214 PolarHBondContact O-N 3.43Å; L211-F214 VanDerWaalsContact O-N 3.11Å; L211-D215 PolarHBondContact O-N 3.41Å |
| 212 | K | 85.6 | Confident | 77.8 | Confident | 131 Ų | 131 | 105.8 Ų | 105.8 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.2 | -36.5 | 174.3 | -77.6 | 173.7 | -176.9 | 171 | 0 | 112.5 | A208 D209 K216 | A208-K212 WeakPolarHBondContact O-CB 3.26Å; A208-K212 WeakPolarHBondContact O-CG 3.48Å; A208-K212 PolarHBondContact O-N 2.86Å; D209-K212 PolarHBondContact O-N 2.9Å; K212-K216 VanDerWaalsContact O-CG 3.29Å; K212-K216 WeakPolarHBondContact O-CG 3.37Å; K212-K216 PolarHBondContact O-N 3.28Å |
| 213 | S | 83.8 | Confident | 77.4 | Confident | 49 Ų | 49 | 106.1 Ų | 106.1 | 34% | 0.343 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.5 | -33.1 | 175.8 | 84.7 | 0 | 0 | 0 | 0 | 112 | D209 A210 L211 K217 | D209-S213 VanDerWaalsContact O-CB 3.32Å; D209-S213 WeakPolarHBondContact O-CB 2.99Å; D209-S213 PolarHBondContact O-N 3.46Å; A210-S213 PolarHBondContact O-N 3.3Å; A210-S213 PolarHBondContact O-OG 3.4Å; L211-S213 VanDerWaalsContact C-N 3.28Å; L211-S213 PolarHBondContact O-N 3.26Å; S213-K217 WeakPolarHBondContact O-CG 3.47Å; S213-K217 PolarHBondContact O-N 3.47Å; S213-K217 VanDerWaalsContact O-N 3.14Å |
| 214 | F | 82.5 | Confident | 76.5 | Confident | 112 Ų | 112 | 105.9 Ų | 105.9 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.3 | -47.2 | 178 | -177.1 | -108.5 | 0 | 0 | 0 | 111.2 | A210 L211 K216 K217 I218 | A210-F214 VanDerWaalsContact O-CB 3.3Å; A210-F214 WeakPolarHBondContact O-CB 3.39Å; A210-F214 PolarHBondContact O-N 2.83Å; L211-F214 WeakPolarHBondContact O-CB 3.37Å; L211-F214 PolarHBondContact O-N 3.43Å; L211-F214 VanDerWaalsContact O-N 3.11Å; F214-K216 VanDerWaalsContact C-N 3.31Å; F214-K216 PolarHBondContact O-N 2.97Å; F214-K217 CarbonylContact O-C 3.56Å; F214-K217 WeakPolarHBondContact O-CA 3.4Å; F214-K217 WeakPolarHBondContact O-CB 3.27Å; F214-K217 PolarHBondContact O-N 2.9Å; F214-I218 HydrophobicContact CD1-CD1 3.7Å; F214-I218 HydrophobicContact CD1-CG1 4.38Å; F214-I218 HydrophobicContact CE1-CD1 3.14Å; F214-I218 HydrophobicContact CE1-CG1 4.15Å; F214-I218 HydrophobicContact CE2-CD1 4.09Å; F214-I218 HydrophobicContact CE2-CG1 4.41Å; F214-I218 HydrophobicContact CG-CD1 4.39Å; F214-I218 HydrophobicContact CZ-CD1 3.38Å; F214-I218 HydrophobicContact CZ-CG1 4.17Å; F214-I218 PolarHBondContact O-N 3.17Å |
| 215 | D | 77 | Confident | 75.4 | Confident | 94 Ų | 94 | 102.8 Ų | 102.8 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 175 | -88.7 | -8 | 0 | 0 | 0 | 112.1 | L211 K217 I218 H219 | L211-D215 PolarHBondContact O-N 3.41Å; D215-K217 VanDerWaalsContact C-N 3.27Å; D215-K217 PolarHBondContact O-N 3.35Å; D215-I218 PolarHBondContact O-N 3.44Å; D215-H219 WeakPolarHBondContact O-CB 3.33Å; D215-H219 PolarHBondContact O-N 3.02Å |
| 216 | K | 75.9 | Confident | 74.2 | Confident | 150 Ų | 150 | 106.4 Ų | 106.4 | 65% | 0.652 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.1 | -34.9 | 174.2 | -73.5 | 172.9 | -175.2 | 176.4 | 0 | 112.7 | K212 F214 R220 | K212-K216 VanDerWaalsContact O-CG 3.29Å; K212-K216 WeakPolarHBondContact O-CG 3.37Å; K212-K216 PolarHBondContact O-N 3.28Å; F214-K216 VanDerWaalsContact C-N 3.31Å; F214-K216 PolarHBondContact O-N 2.97Å; K216-R220 PolarHBondContact O-N 3.42Å |
| 217 | K | 73.3 | Confident | 73 | Confident | 136 Ų | 136 | 110 Ų | 110 | 59% | 0.591 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -75.3 | -41.1 | 176.9 | -74.9 | 173 | -178.3 | 175.7 | 0 | 111.1 | S213 F214 D215 R220 L221 | S213-K217 WeakPolarHBondContact O-CG 3.47Å; S213-K217 PolarHBondContact O-N 3.47Å; S213-K217 VanDerWaalsContact O-N 3.14Å; F214-K217 CarbonylContact O-C 3.56Å; F214-K217 WeakPolarHBondContact O-CA 3.4Å; F214-K217 WeakPolarHBondContact O-CB 3.27Å; F214-K217 PolarHBondContact O-N 2.9Å; D215-K217 VanDerWaalsContact C-N 3.27Å; D215-K217 PolarHBondContact O-N 3.35Å; K217-R220 PolarHBondContact O-N 2.88Å; K217-L221 WeakPolarHBondContact O-CG 3.29Å; K217-L221 PolarHBondContact O-N 3.05Å |
| 218 | I | 69.8 | Low | 71.5 | Confident | 57 Ų | 57 | 109.6 Ų | 109.6 | 29% | 0.292 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 174.9 | -70.8 | -175.5 | 0 | 0 | 0 | 111 | F214 D215 R220 L221 I223 | F214-I218 HydrophobicContact CD1-CD1 3.7Å; F214-I218 HydrophobicContact CD1-CG1 4.38Å; F214-I218 HydrophobicContact CE1-CD1 3.14Å; F214-I218 HydrophobicContact CE1-CG1 4.15Å; F214-I218 HydrophobicContact CE2-CD1 4.09Å; F214-I218 HydrophobicContact CE2-CG1 4.41Å; F214-I218 HydrophobicContact CG-CD1 4.39Å; F214-I218 HydrophobicContact CZ-CD1 3.38Å; F214-I218 HydrophobicContact CZ-CG1 4.17Å; F214-I218 PolarHBondContact O-N 3.17Å; D215-I218 PolarHBondContact O-N 3.44Å; I218-R220 PolarHBondContact O-N 2.66Å; I218-L221 CarbonylContact O-C 3.16Å; I218-L221 WeakPolarHBondContact O-CA 3.21Å; I218-L221 PolarHBondContact O-N 2.97Å; I218-I223 HydrophobicContact CG2-CD1 4.45Å |
| 219 | H | 62.3 | Low | 70.4 | Confident | 147 Ų | 147 | 112 Ų | 112 | 68% | 0.681 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62 | -27.1 | 176.2 | -78.3 | -8.3 | 0 | 0 | 0 | 113.4 | D215 | D215-H219 WeakPolarHBondContact O-CB 3.33Å; D215-H219 PolarHBondContact O-N 3.02Å |
| 220 | R | 63.9 | Low | 69.4 | Low | 226 Ų | 226 | 112.2 Ų | 112.2 | 85% | 0.853 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -81.2 | -30.7 | 172.9 | -73.7 | -179.5 | 159.4 | 176.4 | -5.3 | 113 | K216 K217 I218 H222 | K216-R220 PolarHBondContact O-N 3.42Å; K217-R220 PolarHBondContact O-N 2.88Å; I218-R220 PolarHBondContact O-N 2.66Å; R220-H222 VanDerWaalsContact C-N 3.33Å; R220-H222 PolarHBondContact O-N 3.4Å; R220-H222 VanDerWaalsContact O-N 3.15Å |
| 221 | L | 60.5 | Low | 68.4 | Low | 112 Ų | 112 | 116.4 Ų | 116.4 | 59% | 0.586 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -81.5 | 86.3 | 169.3 | -64.2 | 169.4 | 0 | 0 | 0 | 106.7 | K217 I218 I223 | K217-L221 WeakPolarHBondContact O-CG 3.29Å; K217-L221 PolarHBondContact O-N 3.05Å; I218-L221 CarbonylContact O-C 3.16Å; I218-L221 WeakPolarHBondContact O-CA 3.21Å; I218-L221 PolarHBondContact O-N 2.97Å; L221-I223 HydrophobicContact CB-CG1 4.22Å; L221-I223 WeakPolarHBondContact O-CG1 3.47Å; L221-I223 PolarHBondContact O-N 3.07Å |
| 222 | H | 58.9 | Low | 67.5 | Low | 131 Ų | 131 | 113.3 Ų | 113.3 | 61% | 0.606 | 55% | 0.549 | S | S | * | . | | | trans | -56.6 | 90.7 | 158.3 | -72.6 | -178.5 | 0 | 0 | 0 | 106.5 | R220 R224 N245 | R220-H222 VanDerWaalsContact C-N 3.33Å; R220-H222 PolarHBondContact O-N 3.4Å; R220-H222 VanDerWaalsContact O-N 3.15Å; H222-R224 PolarHBondContact O-N 2.9Å; H222-N245 PolarHBondContact NE2-ND2 2.91Å |
| 223 | I | 57.7 | Low | 66.7 | Low | 121 Ų | 121 | 114.6 Ų | 114.6 | 62% | 0.621 | 55% | 0.55 | S | S | * | * | | | trans | -69.2 | 86.1 | 174.9 | -60.5 | 174.9 | 0 | 0 | 0 | 103 | I218 L221 | I218-I223 HydrophobicContact CG2-CD1 4.45Å; L221-I223 HydrophobicContact CB-CG1 4.22Å; L221-I223 WeakPolarHBondContact O-CG1 3.47Å; L221-I223 PolarHBondContact O-N 3.07Å |
| 224 | R | 60.9 | Low | 65.9 | Low | 87 Ų | 87 | 116.6 Ų | 116.6 | 33% | 0.328 | 56% | 0.562 | S | S | . | * | | | trans | -50.5 | 132.2 | 159.5 | -72.5 | -172 | 175.7 | -169.2 | -2.5 | 104.6 | H222 K228 D229 P230 S232 | H222-R224 PolarHBondContact O-N 2.9Å; R224-K228 HydrophobicContact CB-CB 3.95Å; R224-D229 PolarHBondContact NH1-O 3.44Å; R224-P230 PolarHBondContact NH1-O 3.18Å; R224-P230 VanDerWaalsContact NH1-O 3.1Å; R224-S232 PolarHBondContact NH1-O 3.38Å; R224-S232 PolarHBondContact NH1-OG 3.47Å; R224-S232 PolarHBondContact NH2-O 2.92Å |
| 225 | P | 60 | Low | 65.1 | Low | 53 Ų | 53 | 114.7 Ų | 114.7 | 34% | 0.344 | 56% | 0.557 | S | S | . | * | | | trans | -50.8 | 141.9 | 176.8 | 21 | -31.4 | 0 | 0 | 0 | 108.5 | W227 K228 | P225-W227 HydrophobicContact CB-CD2 3.79Å; P225-W227 HydrophobicContact CB-CE3 3.89Å; P225-W227 HydrophobicContact CB-CH2 3.52Å; P225-W227 HydrophobicContact CB-CZ2 3.39Å; P225-W227 HydrophobicContact CB-CZ3 3.76Å; P225-W227 HydrophobicContact CG-CD2 4.38Å; P225-W227 HydrophobicContact CG-CH2 4.4Å; P225-W227 HydrophobicContact CG-CZ2 3.8Å; P225-W227 PolarHBondContact O-N 2.93Å; P225-K228 HydrophobicContact CG-CB 4.43Å; P225-K228 HydrophobicContact CG-CG 3.98Å; P225-K228 WeakPolarHBondContact O-CB 3.38Å; P225-K228 PolarHBondContact O-N 3.26Å |
| 226 | P | 59.1 | Low | 64.6 | Low | 127 Ų | 127 | 115.2 Ų | 115.2 | 83% | 0.825 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -7.7 | -163.1 | 20 | -32.5 | 0 | 0 | 0 | 115.2 | | |
| 227 | W | 61.9 | Low | 64.1 | Low | 205 Ų | 205 | 110.8 Ų | 110.8 | 78% | 0.777 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 5.4 | 174.8 | 62.6 | 82.1 | 0 | 0 | 0 | 114.7 | P225 | P225-W227 HydrophobicContact CB-CD2 3.79Å; P225-W227 HydrophobicContact CB-CE3 3.89Å; P225-W227 HydrophobicContact CB-CH2 3.52Å; P225-W227 HydrophobicContact CB-CZ2 3.39Å; P225-W227 HydrophobicContact CB-CZ3 3.76Å; P225-W227 HydrophobicContact CG-CD2 4.38Å; P225-W227 HydrophobicContact CG-CH2 4.4Å; P225-W227 HydrophobicContact CG-CZ2 3.8Å; P225-W227 PolarHBondContact O-N 2.93Å |
| 228 | K | 57.9 | Low | 63.6 | Low | 69 Ų | 69 | 106.7 Ų | 106.7 | 30% | 0.3 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -105 | 115.4 | -179.7 | -87.8 | -80.7 | -176.2 | -169.2 | 0 | 110.7 | R224 P225 L235 | R224-K228 HydrophobicContact CB-CB 3.95Å; P225-K228 HydrophobicContact CG-CB 4.43Å; P225-K228 HydrophobicContact CG-CG 3.98Å; P225-K228 WeakPolarHBondContact O-CB 3.38Å; P225-K228 PolarHBondContact O-N 3.26Å; K228-L235 VanDerWaalsContact NZ-CD1 3.26Å |
| 229 | D | 64.4 | Low | 63.5 | Low | 89 Ų | 89 | 112.9 Ų | 112.9 | 48% | 0.476 | 56% | 0.558 | S | S | . | * | | | trans | -51.7 | 125.7 | 174.6 | 178.3 | 3.1 | 0 | 0 | 0 | 110.9 | R224 N231 S232 | R224-D229 PolarHBondContact NH1-O 3.44Å; D229-N231 PolarHBondContact O-N 2.94Å; D229-N231 VanDerWaalsContact O-N 3.14Å; D229-N231 PolarHBondContact OD1-N 3.38Å; D229-S232 PolarHBondContact O-N 2.95Å; D229-S232 VanDerWaalsContact O-N 3.08Å; D229-S232 PolarHBondContact O-OG 2.9Å |
| 230 | P | 66.7 | Low | 63.8 | Low | 105 Ų | 105 | 109.5 Ų | 109.5 | 68% | 0.682 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -21.2 | 174.6 | 21.5 | -32.6 | 0 | 0 | 0 | 114 | R224 | R224-P230 PolarHBondContact NH1-O 3.18Å; R224-P230 VanDerWaalsContact NH1-O 3.1Å |
| 231 | N | 67.2 | Low | 64.1 | Low | 143 Ų | 143 | 102.8 Ų | 102.8 | 77% | 0.765 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -6.2 | 178.5 | -62 | -32.3 | 0 | 0 | 0 | 114.2 | D229 | D229-N231 PolarHBondContact O-N 2.94Å; D229-N231 VanDerWaalsContact O-N 3.14Å; D229-N231 PolarHBondContact OD1-N 3.38Å |
| 232 | S | 69.1 | Low | 64.6 | Low | 35 Ų | 35 | 100 Ų | 100 | 25% | 0.245 | 52% | 0.521 | C | S | . | . | S | Bend | trans | -68.6 | 138.8 | -179.1 | 60.7 | 0 | 0 | 0 | 0 | 112.5 | R224 D229 | R224-S232 PolarHBondContact NH1-O 3.38Å; R224-S232 PolarHBondContact NH1-OG 3.47Å; R224-S232 PolarHBondContact NH2-O 2.92Å; D229-S232 PolarHBondContact O-N 2.95Å; D229-S232 VanDerWaalsContact O-N 3.08Å; D229-S232 PolarHBondContact O-OG 2.9Å |
| 233 | R | 67.7 | Low | 65.4 | Low | 158 Ų | 158 | 99.7 Ų | 99.7 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 139.4 | 174.6 | -65.1 | -174.4 | -175 | -172.7 | 6 | 109.4 | D22 L235 | D22-R233 IonicContact OD1-NH2 2.66Å; R233-L235 PolarHBondContact O-N 3.3Å |
| 234 | P | 67.5 | Low | 66.3 | Low | 92 Ų | 92 | 100.9 Ų | 100.9 | 60% | 0.597 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 127.5 | -179 | 24.4 | -32.4 | 0 | 0 | 0 | 110 | D238 | P234-D238 HydrophobicContact CB-CB 3.97Š|
| 235 | L | 64.9 | Low | 67 | Low | 72 Ų | 72 | 99.8 Ų | 99.8 | 38% | 0.377 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 159.4 | 174.6 | -72.3 | 180 | 0 | 0 | 0 | 110.2 | K228 R233 S237 D238 R239 | K228-L235 VanDerWaalsContact NZ-CD1 3.26Å; R233-L235 PolarHBondContact O-N 3.3Å; L235-S237 WeakPolarHBondContact CB-OG 3.41Å; L235-S237 PolarHBondContact O-N 3Å; L235-S237 VanDerWaalsContact O-N 3.08Å; L235-D238 PolarHBondContact N-OD2 3.44Å; L235-D238 WeakPolarHBondContact O-CA 3.3Å; L235-D238 WeakPolarHBondContact O-CB 3.37Å; L235-D238 PolarHBondContact O-N 3.13Å; L235-R239 PolarHBondContact O-N 3.48Å |
| 236 | P | 67 | Low | 68 | Low | 104 Ų | 104 | 102.7 Ų | 102.7 | 68% | 0.675 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -52.2 | -30.2 | 169.9 | -28 | 35.8 | 0 | 0 | 0 | 113.5 | R239 T240 | P236-R239 WeakPolarHBondContact O-CB 3.36Å; P236-R239 PolarHBondContact O-N 3.42Å; P236-T240 PolarHBondContact O-N 2.92Å |
| 237 | S | 65.1 | Low | 69 | Low | 58 Ų | 58 | 102.1 Ų | 102.1 | 41% | 0.406 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 171.1 | 55.7 | 0 | 0 | 0 | 0 | 112.8 | L235 R239 T240 I241 | L235-S237 WeakPolarHBondContact CB-OG 3.41Å; L235-S237 PolarHBondContact O-N 3Å; L235-S237 VanDerWaalsContact O-N 3.08Å; S237-R239 VanDerWaalsContact C-N 3.29Å; S237-R239 PolarHBondContact O-N 3.37Å; S237-T240 WeakPolarHBondContact CA-OG1 3.39Å; S237-T240 PolarHBondContact O-N 3.47Å; S237-T240 PolarHBondContact O-OG1 3.32Å; S237-I241 WeakPolarHBondContact O-CG1 3.4Å; S237-I241 PolarHBondContact O-N 2.98Å |
| 238 | D | 64.3 | Low | 69.8 | Low | 50 Ų | 50 | 97.6 Ų | 97.6 | 27% | 0.267 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.1 | -33.7 | 178 | -54.1 | -18.5 | 0 | 0 | 0 | 110.3 | P234 L235 I241 A242 | P234-D238 HydrophobicContact CB-CB 3.97Å; L235-D238 PolarHBondContact N-OD2 3.44Å; L235-D238 WeakPolarHBondContact O-CA 3.3Å; L235-D238 WeakPolarHBondContact O-CB 3.37Å; L235-D238 PolarHBondContact O-N 3.13Å; D238-I241 PolarHBondContact O-N 3.31Å; D238-A242 PolarHBondContact O-N 2.68Å |
| 239 | R | 66 | Low | 70.7 | Confident | 187 Ų | 187 | 98.2 Ų | 98.2 | 71% | 0.706 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.4 | -39.8 | 171.2 | -166.2 | -178.4 | -167.6 | -179.1 | 8.1 | 111.9 | L235 P236 S237 I241 A242 F243 | L235-R239 PolarHBondContact O-N 3.48Å; P236-R239 WeakPolarHBondContact O-CB 3.36Å; P236-R239 PolarHBondContact O-N 3.42Å; S237-R239 VanDerWaalsContact C-N 3.29Å; S237-R239 PolarHBondContact O-N 3.37Å; R239-I241 VanDerWaalsContact C-N 3.34Å; R239-A242 PolarHBondContact O-N 2.9Å; R239-F243 PolarHBondContact O-N 3.02Å |
| 240 | T | 69.7 | Low | 71.3 | Confident | 75 Ų | 75 | 100.5 Ų | 100.5 | 46% | 0.46 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.3 | -37.5 | 173.8 | 54 | 0 | 0 | 0 | 0 | 111.9 | P236 S237 F243 Y244 | P236-T240 PolarHBondContact O-N 2.92Å; S237-T240 WeakPolarHBondContact CA-OG1 3.39Å; S237-T240 PolarHBondContact O-N 3.47Å; S237-T240 PolarHBondContact O-OG1 3.32Å; T240-F243 WeakPolarHBondContact O-CB 3.47Å; T240-F243 PolarHBondContact O-N 3.23Å; T240-Y244 WeakPolarHBondContact O-CD2 3.33Å; T240-Y244 PolarHBondContact O-N 3.43Å |
| 241 | I | 70.6 | Confident | 71.9 | Confident | 86 Ų | 86 | 98 Ų | 98 | 44% | 0.441 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 174.1 | -67.2 | 162 | 0 | 0 | 0 | 110.8 | S237 D238 R239 F243 Y244 N245 | S237-I241 WeakPolarHBondContact O-CG1 3.4Å; S237-I241 PolarHBondContact O-N 2.98Å; D238-I241 PolarHBondContact O-N 3.31Å; R239-I241 VanDerWaalsContact C-N 3.34Å; I241-F243 VanDerWaalsContact C-N 3.28Å; I241-F243 PolarHBondContact O-N 3.48Å; I241-Y244 PolarHBondContact O-N 3.39Å; I241-Y244 VanDerWaalsContact O-N 3.14Å; I241-N245 PolarHBondContact O-N 3.38Å; I241-N245 PolarHBondContact O-OD1 2.83Å |
| 242 | A | 71.2 | Confident | 72.3 | Confident | 53 Ų | 53 | 97 Ų | 97 | 44% | 0.438 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.5 | -37.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D238 R239 N245 M246 | D238-A242 PolarHBondContact O-N 2.68Å; R239-A242 PolarHBondContact O-N 2.9Å; A242-N245 PolarHBondContact O-N 2.95Å; A242-M246 WeakPolarHBondContact O-CB 3.48Å; A242-M246 PolarHBondContact O-N 2.94Å |
| 243 | F | 75.5 | Confident | 72.4 | Confident | 125 Ų | 125 | 101.6 Ų | 101.6 | 55% | 0.548 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 173.1 | -176.2 | -90.3 | 0 | 0 | 0 | 112 | R239 T240 I241 M246 Y247 | R239-F243 PolarHBondContact O-N 3.02Å; T240-F243 WeakPolarHBondContact O-CB 3.47Å; T240-F243 PolarHBondContact O-N 3.23Å; I241-F243 VanDerWaalsContact C-N 3.28Å; I241-F243 PolarHBondContact O-N 3.48Å; F243-M246 HydrophobicContact CD2-CE 3.97Å; F243-M246 HydrophobicContact CE2-CE 3.98Å; F243-M246 PolarHBondContact O-N 3.12Å; F243-Y247 WeakPolarHBondContact O-CB 3.48Å; F243-Y247 PolarHBondContact O-N 3.44Å |
| 244 | Y | 75.4 | Confident | 72.2 | Confident | 146 Ų | 146 | 101.5 Ų | 101.5 | 57% | 0.573 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63 | -43.7 | 174.8 | -75.5 | -65.5 | 0 | 0 | 0 | 111.7 | T240 I241 M246 Y247 E248 | T240-Y244 WeakPolarHBondContact O-CD2 3.33Å; T240-Y244 PolarHBondContact O-N 3.43Å; I241-Y244 PolarHBondContact O-N 3.39Å; I241-Y244 VanDerWaalsContact O-N 3.14Å; Y244-M246 PolarHBondContact O-N 2.93Å; Y244-Y247 CarbonylContact O-C 3.6Å; Y244-Y247 WeakPolarHBondContact O-CB 3.31Å; Y244-Y247 PolarHBondContact O-N 3.12Å; Y244-Y247 VanDerWaalsContact O-N 3.12Å; Y244-E248 WeakPolarHBondContact O-CG 3.46Å; Y244-E248 PolarHBondContact O-N 3.39Å |
| 245 | N | 77 | Confident | 72 | Confident | 63 Ų | 63 | 104 Ų | 104 | 34% | 0.337 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 175.5 | -69.7 | -4.2 | 0 | 0 | 0 | 111.8 | H222 I241 A242 Y247 E248 D249 | H222-N245 PolarHBondContact NE2-ND2 2.91Å; I241-N245 PolarHBondContact O-N 3.38Å; I241-N245 PolarHBondContact O-OD1 2.83Å; A242-N245 PolarHBondContact O-N 2.95Å; N245-Y247 VanDerWaalsContact C-N 3.29Å; N245-Y247 PolarHBondContact O-N 3.25Å; N245-E248 PolarHBondContact O-N 3.46Å; N245-D249 WeakPolarHBondContact O-CB 3.5Å; N245-D249 PolarHBondContact O-N 2.85Å |
| 246 | M | 79.5 | Confident | 71.9 | Confident | 114 Ų | 114 | 106.9 Ų | 106.9 | 56% | 0.562 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.3 | -35.7 | 175 | -172.8 | -166.7 | 70.9 | 0 | 0 | 112 | A242 F243 Y244 Y250 | A242-M246 WeakPolarHBondContact O-CB 3.48Å; A242-M246 PolarHBondContact O-N 2.94Å; F243-M246 HydrophobicContact CD2-CE 3.97Å; F243-M246 HydrophobicContact CE2-CE 3.98Å; F243-M246 PolarHBondContact O-N 3.12Å; Y244-M246 PolarHBondContact O-N 2.93Å; M246-Y250 WeakPolarHBondContact O-CB 3.31Å; M246-Y250 PolarHBondContact O-N 3.17Å |
| 247 | Y | 81 | Confident | 71.2 | Confident | 115 Ų | 115 | 108.4 Ų | 108.4 | 45% | 0.451 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.8 | -41.9 | 175.8 | -178.2 | -103.9 | 0 | 0 | 0 | 111.9 | F243 Y244 N245 Y250 L251 | F243-Y247 WeakPolarHBondContact O-CB 3.48Å; F243-Y247 PolarHBondContact O-N 3.44Å; Y244-Y247 CarbonylContact O-C 3.6Å; Y244-Y247 WeakPolarHBondContact O-CB 3.31Å; Y244-Y247 PolarHBondContact O-N 3.12Å; Y244-Y247 VanDerWaalsContact O-N 3.12Å; N245-Y247 VanDerWaalsContact C-N 3.29Å; N245-Y247 PolarHBondContact O-N 3.25Å; Y247-Y250 WeakPolarHBondContact O-CB 3.36Å; Y247-Y250 PolarHBondContact O-N 3.06Å; Y247-L251 HydrophobicContact CD1-CD1 4Å; Y247-L251 HydrophobicContact CD1-CG 4.45Å; Y247-L251 HydrophobicContact CE1-CD1 3.49Å; Y247-L251 VanDerWaalsContact CE1-CD1 3.49Å; Y247-L251 HydrophobicContact CE1-CG 4.12Å; Y247-L251 WeakPolarHBondContact O-CG 3.42Å; Y247-L251 PolarHBondContact O-N 2.83Å |
| 248 | E | 78.3 | Confident | 70.5 | Confident | 111 Ų | 111 | 110.1 Ų | 110.1 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 173 | -70.9 | -59.5 | 141.4 | 0 | 0 | 111.4 | Y244 N245 Y250 L251 K252 | Y244-E248 WeakPolarHBondContact O-CG 3.46Å; Y244-E248 PolarHBondContact O-N 3.39Å; N245-E248 PolarHBondContact O-N 3.46Å; E248-Y250 VanDerWaalsContact C-N 3.35Å; E248-Y250 PolarHBondContact O-N 3.41Å; E248-L251 PolarHBondContact O-N 3.08Å; E248-K252 WeakPolarHBondContact O-CB 3.4Å; E248-K252 PolarHBondContact O-N 3.16Å |
| 249 | D | 77.6 | Confident | 69.9 | Low | 81 Ų | 81 | 116.5 Ų | 116.5 | 43% | 0.433 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 173.1 | -78.7 | -23.2 | 0 | 0 | 0 | 110.8 | N245 L251 K252 Y253 | N245-D249 WeakPolarHBondContact O-CB 3.5Å; N245-D249 PolarHBondContact O-N 2.85Å; D249-L251 VanDerWaalsContact C-N 3.31Å; D249-L251 PolarHBondContact O-N 3.27Å; D249-K252 PolarHBondContact O-N 3.29Å; D249-Y253 HydrophobicContact CB-CD2 4.29Å; D249-Y253 HydrophobicContact CB-CE2 4.2Å; D249-Y253 WeakPolarHBondContact O-CD2 3.5Å; D249-Y253 PolarHBondContact O-N 2.93Å |
| 250 | Y | 77.1 | Confident | 69.1 | Low | 137 Ų | 137 | 112.8 Ų | 112.8 | 54% | 0.537 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -57.7 | -43.2 | 175.6 | 172 | -96.2 | 0 | 0 | 0 | 112.1 | M246 Y247 E248 R254 | M246-Y250 WeakPolarHBondContact O-CB 3.31Å; M246-Y250 PolarHBondContact O-N 3.17Å; Y247-Y250 WeakPolarHBondContact O-CB 3.36Å; Y247-Y250 PolarHBondContact O-N 3.06Å; E248-Y250 VanDerWaalsContact C-N 3.35Å; E248-Y250 PolarHBondContact O-N 3.41Å; Y250-R254 WeakPolarHBondContact O-CB 3.3Å; Y250-R254 PolarHBondContact O-N 3Å |
| 251 | L | 77.9 | Confident | 68.3 | Low | 53 Ų | 53 | 113.4 Ų | 113.4 | 28% | 0.277 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.4 | -43.6 | 175.9 | -69.9 | 179.9 | 0 | 0 | 0 | 111.6 | Y247 E248 D249 Y253 R254 | Y247-L251 HydrophobicContact CD1-CD1 4Å; Y247-L251 HydrophobicContact CD1-CG 4.45Å; Y247-L251 HydrophobicContact CE1-CD1 3.49Å; Y247-L251 VanDerWaalsContact CE1-CD1 3.49Å; Y247-L251 HydrophobicContact CE1-CG 4.12Å; Y247-L251 WeakPolarHBondContact O-CG 3.42Å; Y247-L251 PolarHBondContact O-N 2.83Å; E248-L251 PolarHBondContact O-N 3.08Å; D249-L251 VanDerWaalsContact C-N 3.31Å; D249-L251 PolarHBondContact O-N 3.27Å; L251-Y253 VanDerWaalsContact C-N 3.33Å; L251-Y253 PolarHBondContact O-N 2.65Å; L251-R254 WeakPolarHBondContact O-CB 3.46Å; L251-R254 PolarHBondContact O-N 3.14Å |
| 252 | K | 76.9 | Confident | 67.3 | Low | 122 Ų | 122 | 114.4 Ų | 114.4 | 53% | 0.53 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.7 | -37.5 | 178.4 | -174.9 | -177.9 | 174.8 | -169.8 | 0 | 112.9 | E248 D249 | E248-K252 WeakPolarHBondContact O-CB 3.4Å; E248-K252 PolarHBondContact O-N 3.16Å; D249-K252 PolarHBondContact O-N 3.29Å |
| 253 | Y | 69.5 | Low | 65.8 | Low | 131 Ų | 131 | 115.8 Ų | 115.8 | 51% | 0.514 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -85.6 | -14.6 | 177.1 | -67.7 | -64 | 0 | 0 | 0 | 113.4 | D249 L251 D255 Q256 R257 | D249-Y253 HydrophobicContact CB-CD2 4.29Å; D249-Y253 HydrophobicContact CB-CE2 4.2Å; D249-Y253 WeakPolarHBondContact O-CD2 3.5Å; D249-Y253 PolarHBondContact O-N 2.93Å; L251-Y253 VanDerWaalsContact C-N 3.33Å; L251-Y253 PolarHBondContact O-N 2.65Å; Y253-D255 VanDerWaalsContact C-N 3.28Å; Y253-D255 PolarHBondContact O-N 2.72Å; Y253-Q256 CarbonylContact O-C 3.57Å; Y253-Q256 PolarHBondContact O-N 2.98Å; Y253-Q256 VanDerWaalsContact O-N 3.16Å; Y253-R257 WeakPolarHBondContact O-CB 3.36Å; Y253-R257 PolarHBondContact O-N 3.47Å |
| 254 | R | 64.9 | Low | 64.7 | Low | 157 Ų | 157 | 118.6 Ų | 118.6 | 59% | 0.592 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -60.1 | -40.2 | 174.1 | -179.8 | -179.9 | 163.7 | 175.4 | -5.4 | 111.3 | Y250 L251 Q256 R257 | Y250-R254 WeakPolarHBondContact O-CB 3.3Å; Y250-R254 PolarHBondContact O-N 3Å; L251-R254 WeakPolarHBondContact O-CB 3.46Å; L251-R254 PolarHBondContact O-N 3.14Å; R254-Q256 VanDerWaalsContact C-N 3.27Å; R254-Q256 PolarHBondContact O-N 3.25Å; R254-R257 PolarHBondContact O-N 2.94Å |
| 255 | D | 63.7 | Low | 63 | Low | 145 Ų | 145 | 117 Ų | 117 | 78% | 0.775 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -16.2 | 179.1 | -61.8 | -22.1 | 0 | 0 | 0 | 112.8 | Y253 | Y253-D255 VanDerWaalsContact C-N 3.28Å; Y253-D255 PolarHBondContact O-N 2.72Å |
| 256 | Q | 61.6 | Low | 61.6 | Low | 132 Ų | 132 | 120.7 Ų | 120.7 | 62% | 0.617 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -5.5 | 178 | -61.5 | -178.8 | 16.4 | 0 | 0 | 113.1 | Y253 R254 P258 | Y253-Q256 CarbonylContact O-C 3.57Å; Y253-Q256 PolarHBondContact O-N 2.98Å; Y253-Q256 VanDerWaalsContact O-N 3.16Å; R254-Q256 VanDerWaalsContact C-N 3.27Å; R254-Q256 PolarHBondContact O-N 3.25Å; Q256-P258 WeakPolarHBondContact O-CD 3.42Å |
| 257 | R | 52 | Low | 60.2 | Low | 136 Ų | 136 | 120.6 Ų | 120.6 | 51% | 0.513 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -83.7 | 120.3 | -178.4 | -160.7 | 176.3 | -157.9 | -173.4 | 5.5 | 109.5 | Y253 R254 L259 | Y253-R257 WeakPolarHBondContact O-CB 3.36Å; Y253-R257 PolarHBondContact O-N 3.47Å; R254-R257 PolarHBondContact O-N 2.94Å; R257-L259 PolarHBondContact O-N 2.84Å; R257-L259 VanDerWaalsContact O-N 3.08Å |
| 258 | P | 51.1 | Low | 58.7 | Low | 94 Ų | 94 | 124.3 Ų | 124.3 | 61% | 0.61 | 65% | 0.645 | S | S | * | * | | | trans | -56.6 | 120 | 170 | -18.7 | 30.1 | 0 | 0 | 0 | 108.6 | Q256 S260 | Q256-P258 WeakPolarHBondContact O-CD 3.42Å; P258-S260 PolarHBondContact O-N 3.14Å |
| 259 | L | 51.5 | Low | 57 | Low | 184 Ų | 184 | 125 Ų | 125 | 96% | 0.963 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 16.6 | -177.6 | -73.3 | 161 | 0 | 0 | 0 | 114.1 | R257 | R257-L259 PolarHBondContact O-N 2.84Å; R257-L259 VanDerWaalsContact O-N 3.08Å |
| 260 | S | 50.3 | Low | 55.5 | Low | 109 Ų | 109 | 128.7 Ų | 128.7 | 76% | 0.762 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -3.2 | -167.7 | 66.6 | 0 | 0 | 0 | 0 | 116.1 | P258 | P258-S260 PolarHBondContact O-N 3.14Š|
| 261 | S | 52.2 | Low | 54.1 | Low | 88 Ų | 88 | 129.6 Ų | 129.6 | 62% | 0.615 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -127.1 | 3.8 | -170.5 | 70.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 262 | L | 48.8 | Very low | 52.7 | Low | 107 Ų | 107 | 134.1 Ų | 134.1 | 56% | 0.56 | 72% | 0.719 | S | S | * | * | | | trans | -130.1 | 86.2 | 179 | -136.8 | 72.8 | 0 | 0 | 0 | 111.8 | Y264 | L262-Y264 HydrophobicContact CD1-CE2 4.45Å; L262-Y264 HydrophobicContact CD2-CD2 4.2Å; L262-Y264 HydrophobicContact CD2-CE2 4.4Å; L262-Y264 HydrophobicContact CG-CD2 3.86Å; L262-Y264 HydrophobicContact CG-CE2 3.95Å; L262-Y264 PolarHBondContact O-N 2.93Å |
| 263 | G | 40.9 | Very low | 51.6 | Low | 81 Ų | 81 | 137.2 Ų | 137.2 | 84% | 0.835 | 74% | 0.735 | S | S | * | * | | | trans | -69.1 | 61.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 264 | Y | 51.5 | Low | 50.5 | Low | 184 Ų | 184 | 138 Ų | 138 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | | | trans | -118.7 | 92.4 | 167.2 | -59.6 | -70.8 | 0 | 0 | 0 | 110.1 | L262 T266 | L262-Y264 HydrophobicContact CD1-CE2 4.45Å; L262-Y264 HydrophobicContact CD2-CD2 4.2Å; L262-Y264 HydrophobicContact CD2-CE2 4.4Å; L262-Y264 HydrophobicContact CG-CD2 3.86Å; L262-Y264 HydrophobicContact CG-CE2 3.95Å; L262-Y264 PolarHBondContact O-N 2.93Å; Y264-T266 PolarHBondContact O-N 2.91Å |
| 265 | S | 40.7 | Very low | 50.1 | Low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | | | trans | 16.6 | 71.6 | 146.4 | -171.2 | 0 | 0 | 0 | 0 | 117.3 | | |
| 266 | T | 47.1 | Very low | 49.8 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 87% | 0.865 | 75% | 0.747 | S | S | * | * | | | trans | -100.7 | 69 | 163.1 | 36 | 0 | 0 | 0 | 0 | 109.7 | Y264 | Y264-T266 PolarHBondContact O-N 2.91Š|
| 267 | T | 48.7 | Very low | 50 | Low | 111 Ų | 111 | 136.7 Ų | 136.7 | 68% | 0.681 | 76% | 0.759 | S | S | * | * | | | trans | -86.9 | 119.1 | 164.1 | 56.4 | 0 | 0 | 0 | 0 | 109 | | |
| 268 | K | 50.4 | Low | 51 | Low | 193 Ų | 193 | 140 Ų | 140 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 88.9 | 83.2 | 162.1 | -50.7 | 178.4 | -175.2 | -174.8 | 0 | 116.9 | | |
| 269 | C | 43.5 | Very low | 52.4 | Low | 127 Ų | 127 | 140.1 Ų | 140.1 | 86% | 0.858 | 77% | 0.766 | S | S | * | * | | | | -173.6 | 69.6 | 128.5 | -96.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 270 | L | 45.2 | Very low | 54 | Low | 158 Ų | 158 | 140.3 Ų | 140.3 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | | | trans | -95.5 | 136.5 | 157.3 | -67.7 | 173.3 | 0 | 0 | 0 | 105 | | |
| 271 | N | 47.9 | Very low | 56 | Low | 156 Ų | 156 | 142.1 Ų | 142.1 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | | | trans | 93.6 | 81.7 | -174 | -41.9 | -23.9 | 0 | 0 | 0 | 113.4 | | |
| 272 | D | 48.5 | Very low | 57.7 | Low | 147 Ų | 147 | 141.9 Ų | 141.9 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | trans | -152.1 | 100.4 | 146.1 | -89.9 | -22.8 | 0 | 0 | 0 | 106.4 | V274 | D272-V274 PolarHBondContact O-N 3.38Š|
| 273 | E | 53.3 | Low | 59.7 | Low | 188 Ų | 188 | 139.4 Ų | 139.4 | 88% | 0.879 | 74% | 0.739 | S | S | * | * | | | trans | -50.4 | 126.1 | 166.9 | -72.8 | 166 | 133.1 | 0 | 0 | 109.9 | A275 | E273-A275 VanDerWaalsContact C-N 3.28Å; E273-A275 PolarHBondContact O-N 3.38Å |
| 274 | V | 47.6 | Very low | 62 | Low | 146 Ų | 146 | 138.6 Ų | 138.6 | 89% | 0.885 | 72% | 0.715 | S | S | * | * | | | trans | 25.1 | 56.1 | 152.7 | -161.7 | 0 | 0 | 0 | 0 | 116 | D272 V276 | D272-V274 PolarHBondContact O-N 3.38Å; V274-V276 PolarHBondContact O-N 3.22Å |
| 275 | A | 56 | Low | 64 | Low | 73 Ų | 73 | 133.8 Ų | 133.8 | 60% | 0.603 | 70% | 0.702 | S | S | * | * | | | trans | -88.9 | 103.3 | 166 | 0 | 0 | 0 | 0 | 0 | 107.2 | E273 R277 | E273-A275 VanDerWaalsContact C-N 3.28Å; E273-A275 PolarHBondContact O-N 3.38Å; A275-R277 VanDerWaalsContact C-N 3.3Å; A275-R277 PolarHBondContact O-N 3.02Å |
| 276 | V | 57 | Low | 66.5 | Low | 107 Ų | 107 | 136.7 Ų | 136.7 | 65% | 0.648 | 70% | 0.696 | S | S | * | * | | | trans | -51.3 | 100.4 | 165.7 | 177.7 | 0 | 0 | 0 | 0 | 106.8 | V274 R278 | V274-V276 PolarHBondContact O-N 3.22Å; V276-R278 HydrophobicContact CG1-CG 3.99Å; V276-R278 PolarHBondContact O-N 2.96Å |
| 277 | R | 65.3 | Low | 68.6 | Low | 228 Ų | 228 | 134.3 Ų | 134.3 | 86% | 0.86 | 68% | 0.677 | S | S | * | * | | | trans | -71 | 72.8 | 179.2 | -79.6 | -173.9 | 170.4 | -151.3 | -1.8 | 108.6 | A275 L279 | A275-R277 VanDerWaalsContact C-N 3.3Å; A275-R277 PolarHBondContact O-N 3.02Å; R277-L279 PolarHBondContact O-N 3.48Å |
| 278 | R | 74.3 | Confident | 70.9 | Confident | 205 Ų | 205 | 135.8 Ų | 135.8 | 77% | 0.774 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 126.2 | 167.5 | -67.5 | -171.9 | 173.8 | 101.7 | -3 | 106.9 | V276 Y280 | V276-R278 HydrophobicContact CG1-CG 3.99Å; V276-R278 PolarHBondContact O-N 2.96Å; R278-Y280 PolarHBondContact O-N 3.39Å |
| 279 | L | 79.5 | Confident | 73 | Confident | 97 Ų | 97 | 132.4 Ų | 132.4 | 51% | 0.508 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 129.4 | 173.3 | -69.2 | 172.4 | 0 | 0 | 0 | 108.3 | R277 T283 L284 L287 | R277-L279 PolarHBondContact O-N 3.48Å; L279-T283 HydrophobicContact CB-CG2 4.47Å; L279-T283 HydrophobicContact CD1-CG2 4.47Å; L279-T283 HydrophobicContact CD2-CG2 4.14Å; L279-L284 HydrophobicContact CB-CD2 4.08Å; L279-L284 HydrophobicContact CB-CG 4.11Å; L279-L284 HydrophobicContact CD1-CD2 4.19Å; L279-L287 HydrophobicContact CD1-CD1 4.18Å |
| 280 | Y | 85.7 | Confident | 75.5 | Confident | 187 Ų | 187 | 129.5 Ų | 129.5 | 73% | 0.733 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 145.5 | 174.3 | -65.8 | -82.2 | 0 | 0 | 0 | 110.5 | R278 S282 T283 L284 | R278-Y280 PolarHBondContact O-N 3.39Å; Y280-S282 PolarHBondContact O-N 3.47Å; Y280-S282 VanDerWaalsContact O-N 3.07Å; Y280-T283 WeakPolarHBondContact O-CA 3.42Å; Y280-T283 WeakPolarHBondContact O-CB 3.37Å; Y280-T283 PolarHBondContact O-N 3.06Å; Y280-L284 PolarHBondContact O-N 2.87Å; Y280-L284 VanDerWaalsContact O-N 3.12Å |
| 281 | H | 91.4 | Very high | 77.8 | Confident | 148 Ų | 148 | 127.5 Ų | 127.5 | 69% | 0.685 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -53.7 | -31.7 | 179.9 | -68.5 | -65.5 | 0 | 0 | 0 | 113.4 | L284 N285 | H281-L284 PolarHBondContact O-N 2.74Å; H281-N285 VanDerWaalsContact O-CB 3.31Å; H281-N285 WeakPolarHBondContact O-CB 3.4Å; H281-N285 PolarHBondContact O-N 3.48Å; H281-N285 PolarHBondContact O-ND2 2.83Å |
| 282 | S | 87.9 | Confident | 80 | Confident | 82 Ų | 82 | 127.2 Ų | 127.2 | 57% | 0.573 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.6 | -43.3 | 174.2 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | Y280 N285 R286 | Y280-S282 PolarHBondContact O-N 3.47Å; Y280-S282 VanDerWaalsContact O-N 3.07Å; S282-N285 PolarHBondContact O-N 3.29Å; S282-R286 WeakPolarHBondContact O-CB 3.38Å; S282-R286 PolarHBondContact O-N 3.08Å |
| 283 | T | 91 | Very high | 82 | Confident | 55 Ų | 55 | 123.7 Ų | 123.7 | 34% | 0.337 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.4 | -44.1 | 175.8 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | L279 Y280 N285 R286 L287 | L279-T283 HydrophobicContact CB-CG2 4.47Å; L279-T283 HydrophobicContact CD1-CG2 4.47Å; L279-T283 HydrophobicContact CD2-CG2 4.14Å; Y280-T283 WeakPolarHBondContact O-CA 3.42Å; Y280-T283 WeakPolarHBondContact O-CB 3.37Å; Y280-T283 PolarHBondContact O-N 3.06Å; T283-N285 PolarHBondContact O-N 3.21Å; T283-R286 PolarHBondContact O-N 2.76Å; T283-L287 HydrophobicContact CG2-CD1 4.31Å; T283-L287 VanDerWaalsContact O-CG 3.3Å; T283-L287 WeakPolarHBondContact O-CG 3.44Å; T283-L287 PolarHBondContact O-N 2.85Å |
| 284 | L | 90.4 | Very high | 83.9 | Confident | 64 Ų | 64 | 121 Ų | 121 | 34% | 0.335 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.2 | -42.7 | 175.4 | -67.8 | 175.8 | 0 | 0 | 0 | 112.1 | L279 Y280 H281 L287 R288 | L279-L284 HydrophobicContact CB-CD2 4.08Å; L279-L284 HydrophobicContact CB-CG 4.11Å; L279-L284 HydrophobicContact CD1-CD2 4.19Å; Y280-L284 PolarHBondContact O-N 2.87Å; Y280-L284 VanDerWaalsContact O-N 3.12Å; H281-L284 PolarHBondContact O-N 2.74Å; L284-L287 PolarHBondContact O-N 3.49Å; L284-R288 PolarHBondContact O-N 2.93Å |
| 285 | N | 92.2 | Very high | 86.1 | Confident | 84 Ų | 84 | 119.4 Ų | 119.4 | 45% | 0.449 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.2 | -43.7 | 175.4 | -76.6 | -18.7 | 0 | 0 | 0 | 111.8 | H281 S282 T283 L287 R288 Q289 | H281-N285 VanDerWaalsContact O-CB 3.31Å; H281-N285 WeakPolarHBondContact O-CB 3.4Å; H281-N285 PolarHBondContact O-N 3.48Å; H281-N285 PolarHBondContact O-ND2 2.83Å; S282-N285 PolarHBondContact O-N 3.29Å; T283-N285 PolarHBondContact O-N 3.21Å; N285-L287 VanDerWaalsContact C-N 3.32Å; N285-L287 PolarHBondContact O-N 3.38Å; N285-R288 PolarHBondContact O-N 3.47Å; N285-R288 PolarHBondContact OD1-NH2 3.2Å; N285-Q289 WeakPolarHBondContact O-CB 3.42Å; N285-Q289 PolarHBondContact O-N 2.9Å |
| 286 | R | 92.5 | Very high | 87.8 | Confident | 174 Ų | 174 | 121.8 Ų | 121.8 | 66% | 0.657 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.4 | -40.3 | 176.2 | -172.1 | 174.6 | -176 | -131.5 | 0.2 | 111.7 | S282 T283 Q289 N290 | S282-R286 WeakPolarHBondContact O-CB 3.38Å; S282-R286 PolarHBondContact O-N 3.08Å; T283-R286 PolarHBondContact O-N 2.76Å; R286-Q289 PolarHBondContact O-N 3.44Å; R286-N290 WeakPolarHBondContact O-CB 3.02Å; R286-N290 PolarHBondContact O-N 3.32Å; R286-N290 PolarHBondContact O-ND2 3.42Å |
| 287 | L | 93 | Very high | 89.3 | Confident | 90 Ų | 90 | 121.1 Ų | 121.1 | 47% | 0.471 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.5 | -47.7 | 176 | -71 | 172.8 | 0 | 0 | 0 | 111.7 | L279 T283 L284 N285 Q289 N290 E291 | L279-L287 HydrophobicContact CD1-CD1 4.18Å; T283-L287 HydrophobicContact CG2-CD1 4.31Å; T283-L287 VanDerWaalsContact O-CG 3.3Å; T283-L287 WeakPolarHBondContact O-CG 3.44Å; T283-L287 PolarHBondContact O-N 2.85Å; L284-L287 PolarHBondContact O-N 3.49Å; N285-L287 VanDerWaalsContact C-N 3.32Å; N285-L287 PolarHBondContact O-N 3.38Å; L287-Q289 VanDerWaalsContact C-N 3.31Å; L287-Q289 PolarHBondContact O-N 3.23Å; L287-N290 WeakPolarHBondContact O-CB 3.46Å; L287-N290 PolarHBondContact O-N 2.82Å; L287-E291 PolarHBondContact O-N 2.91Å |
| 288 | R | 95.4 | Very high | 90.6 | Very high | 143 Ų | 143 | 118 Ų | 118 | 54% | 0.54 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.3 | -38.9 | 174.8 | -74.3 | -167.9 | -71.2 | -120.5 | 6.2 | 112.9 | L284 N285 E291 K292 | L284-R288 PolarHBondContact O-N 2.93Å; N285-R288 PolarHBondContact O-N 3.47Å; N285-R288 PolarHBondContact OD1-NH2 3.2Å; R288-E291 PolarHBondContact O-N 3.12Å; R288-K292 PolarHBondContact O-N 3.27Å |
| 289 | Q | 95 | Very high | 91.3 | Very high | 122 Ų | 122 | 112.8 Ų | 112.8 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.6 | -42.8 | 175.8 | -175.4 | 178.2 | 2.7 | 0 | 0 | 111.3 | N285 R286 L287 E291 K292 I293 | N285-Q289 WeakPolarHBondContact O-CB 3.42Å; N285-Q289 PolarHBondContact O-N 2.9Å; R286-Q289 PolarHBondContact O-N 3.44Å; L287-Q289 VanDerWaalsContact C-N 3.31Å; L287-Q289 PolarHBondContact O-N 3.23Å; Q289-E291 VanDerWaalsContact C-N 3.32Å; Q289-E291 PolarHBondContact O-N 3.44Å; Q289-K292 PolarHBondContact O-N 2.85Å; Q289-I293 HydrophobicContact CG-CD1 4.14Å; Q289-I293 VanDerWaalsContact O-CG1 3.3Å; Q289-I293 WeakPolarHBondContact O-CG1 3.34Å; Q289-I293 PolarHBondContact O-N 3.14Å |
| 290 | N | 95.2 | Very high | 91.7 | Very high | 66 Ų | 66 | 112.4 Ų | 112.4 | 35% | 0.353 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 175.4 | -72.4 | -17.9 | 0 | 0 | 0 | 111.5 | R286 L287 I293 Q294 | R286-N290 WeakPolarHBondContact O-CB 3.02Å; R286-N290 PolarHBondContact O-N 3.32Å; R286-N290 PolarHBondContact O-ND2 3.42Å; L287-N290 WeakPolarHBondContact O-CB 3.46Å; L287-N290 PolarHBondContact O-N 2.82Å; N290-I293 PolarHBondContact O-N 2.89Å; N290-Q294 VanDerWaalsContact O-CG 3.31Å; N290-Q294 WeakPolarHBondContact O-CG 3.32Å; N290-Q294 PolarHBondContact O-N 2.86Å |
| 291 | E | 93.7 | Very high | 91.7 | Very high | 115 Ų | 115 | 105.6 Ų | 105.6 | 54% | 0.537 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 175.1 | -176.6 | 177.5 | -159.6 | 0 | 0 | 111.6 | L287 R288 Q289 I293 Q294 L295 | L287-E291 PolarHBondContact O-N 2.91Å; R288-E291 PolarHBondContact O-N 3.12Å; Q289-E291 VanDerWaalsContact C-N 3.32Å; Q289-E291 PolarHBondContact O-N 3.44Å; E291-I293 VanDerWaalsContact C-N 3.33Å; E291-I293 PolarHBondContact O-N 3.1Å; E291-Q294 WeakPolarHBondContact O-CB 3.37Å; E291-Q294 PolarHBondContact O-N 3.37Å; E291-Q294 VanDerWaalsContact O-N 3.13Å; E291-L295 WeakPolarHBondContact O-CG 3.43Å; E291-L295 PolarHBondContact O-N 3.38Å |
| 292 | K | 95.9 | Very high | 91.3 | Very high | 150 Ų | 150 | 103.7 Ų | 103.7 | 65% | 0.652 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.4 | -44.7 | 174.7 | -174.9 | 178.9 | 178.6 | -179 | 0 | 112.1 | R288 Q289 Q294 L295 E296 | R288-K292 PolarHBondContact O-N 3.27Å; Q289-K292 PolarHBondContact O-N 2.85Å; K292-Q294 VanDerWaalsContact C-N 3.32Å; K292-Q294 PolarHBondContact O-N 2.77Å; K292-L295 PolarHBondContact O-N 3.49Å; K292-E296 PolarHBondContact O-N 2.79Å |
| 293 | I | 90.1 | Very high | 91.3 | Very high | 73 Ų | 73 | 106.7 Ų | 106.7 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 177.4 | -68.5 | 164.7 | 0 | 0 | 0 | 110.9 | Q289 N290 E291 E296 N297 | Q289-I293 HydrophobicContact CG-CD1 4.14Å; Q289-I293 VanDerWaalsContact O-CG1 3.3Å; Q289-I293 WeakPolarHBondContact O-CG1 3.34Å; Q289-I293 PolarHBondContact O-N 3.14Å; N290-I293 PolarHBondContact O-N 2.89Å; E291-I293 VanDerWaalsContact C-N 3.33Å; E291-I293 PolarHBondContact O-N 3.1Å; I293-E296 PolarHBondContact O-N 2.79Å; I293-N297 WeakPolarHBondContact O-CB 3.37Å; I293-N297 PolarHBondContact O-N 3.45Å; I293-N297 PolarHBondContact O-ND2 2.89Å |
| 294 | Q | 92.5 | Very high | 90.8 | Very high | 133 Ų | 133 | 107.8 Ų | 107.8 | 62% | 0.621 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.3 | -42.5 | 178 | -73 | 172.7 | 9.6 | 0 | 0 | 112.2 | N290 E291 K292 N297 Y298 | N290-Q294 VanDerWaalsContact O-CG 3.31Å; N290-Q294 WeakPolarHBondContact O-CG 3.32Å; N290-Q294 PolarHBondContact O-N 2.86Å; E291-Q294 WeakPolarHBondContact O-CB 3.37Å; E291-Q294 PolarHBondContact O-N 3.37Å; E291-Q294 VanDerWaalsContact O-N 3.13Å; K292-Q294 VanDerWaalsContact C-N 3.32Å; K292-Q294 PolarHBondContact O-N 2.77Å; Q294-N297 PolarHBondContact O-N 3.19Å; Q294-Y298 WeakPolarHBondContact O-CB 3.41Å; Q294-Y298 PolarHBondContact O-N 2.75Å |
| 295 | L | 93.4 | Very high | 90.4 | Very high | 112 Ų | 112 | 111.9 Ų | 111.9 | 59% | 0.586 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.8 | -43.1 | 176.2 | -69.2 | 173.1 | 0 | 0 | 0 | 111.9 | E291 K292 Y298 E299 | E291-L295 WeakPolarHBondContact O-CG 3.43Å; E291-L295 PolarHBondContact O-N 3.38Å; K292-L295 PolarHBondContact O-N 3.49Å; L295-Y298 PolarHBondContact O-N 3.39Å; L295-E299 PolarHBondContact O-N 3.2Å |
| 296 | E | 92.2 | Very high | 89.8 | Confident | 122 Ų | 122 | 115.7 Ų | 115.7 | 57% | 0.57 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.7 | -44 | 175.8 | -175.9 | 177.3 | 178 | 0 | 0 | 111.7 | K292 I293 Y298 E299 L300 | K292-E296 PolarHBondContact O-N 2.79Å; I293-E296 PolarHBondContact O-N 2.79Å; E296-Y298 VanDerWaalsContact C-N 3.33Å; E296-Y298 PolarHBondContact O-N 3.08Å; E296-E299 PolarHBondContact O-N 3.43Å; E296-L300 WeakPolarHBondContact O-CB 3.47Å; E296-L300 PolarHBondContact O-N 2.72Å |
| 297 | N | 89.3 | Confident | 88.9 | Confident | 94 Ų | 94 | 112.5 Ų | 112.5 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 176 | -74.6 | -14.1 | 0 | 0 | 0 | 112.1 | I293 Q294 L300 A301 | I293-N297 WeakPolarHBondContact O-CB 3.37Å; I293-N297 PolarHBondContact O-N 3.45Å; I293-N297 PolarHBondContact O-ND2 2.89Å; Q294-N297 PolarHBondContact O-N 3.19Å; N297-L300 PolarHBondContact O-N 3.15Å; N297-A301 WeakPolarHBondContact O-CB 3.34Å; N297-A301 PolarHBondContact O-N 3.16Å |
| 298 | Y | 91.4 | Very high | 87.9 | Confident | 161 Ų | 161 | 117.4 Ų | 117.4 | 63% | 0.631 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.9 | -44.5 | 175.7 | 176.4 | -104.2 | 0 | 0 | 0 | 111.5 | Q294 L295 E296 A301 K302 | Q294-Y298 WeakPolarHBondContact O-CB 3.41Å; Q294-Y298 PolarHBondContact O-N 2.75Å; L295-Y298 PolarHBondContact O-N 3.39Å; E296-Y298 VanDerWaalsContact C-N 3.33Å; E296-Y298 PolarHBondContact O-N 3.08Å; Y298-A301 PolarHBondContact O-N 3.05Å; Y298-K302 WeakPolarHBondContact O-CB 3.37Å; Y298-K302 PolarHBondContact O-N 3.47Å |
| 299 | E | 89.5 | Confident | 86.7 | Confident | 96 Ų | 96 | 113.5 Ų | 113.5 | 45% | 0.449 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 176.1 | -167.9 | -177.7 | -178.5 | 0 | 0 | 111.7 | L295 E296 K302 R303 | L295-E299 PolarHBondContact O-N 3.2Å; E296-E299 PolarHBondContact O-N 3.43Å; E299-K302 PolarHBondContact O-N 3Å; E299-R303 WeakPolarHBondContact O-CG 3.46Å; E299-R303 PolarHBondContact O-N 3.19Å; E299-R303 IonicContact OE1-CZ 3.37Å; E299-R303 IonicContact OE1-NE 3.54Å; E299-R303 PolarHBondContact OE1-NE 3.14Å; E299-R303 IonicContact OE1-NH2 3.42Å; E299-R303 PolarHBondContact OE1-NH2 3.35Å; E299-R303 IonicContact OE2-NH2 3.93Å |
| 300 | L | 88.7 | Confident | 85.7 | Confident | 89 Ų | 89 | 111.7 Ų | 111.7 | 47% | 0.466 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 175.1 | -176.4 | 65.5 | 0 | 0 | 0 | 111.1 | E296 N297 K302 R303 L304 | E296-L300 WeakPolarHBondContact O-CB 3.47Å; E296-L300 PolarHBondContact O-N 2.72Å; N297-L300 PolarHBondContact O-N 3.15Å; L300-K302 VanDerWaalsContact C-N 3.32Å; L300-K302 PolarHBondContact O-N 3.5Å; L300-R303 PolarHBondContact O-N 2.97Å; L300-R303 VanDerWaalsContact O-N 3.17Å; L300-L304 HydrophobicContact CD1-CG 4.5Å; L300-L304 HydrophobicContact CG-CD1 4.22Å; L300-L304 HydrophobicContact CG-CG 4.42Å; L300-L304 WeakPolarHBondContact O-CB 3.45Å; L300-L304 VanDerWaalsContact O-CG 3.29Å; L300-L304 WeakPolarHBondContact O-CG 3.46Å; L300-L304 PolarHBondContact O-N 3Å |
| 301 | A | 84 | Confident | 84.5 | Confident | 45 Ų | 45 | 114.5 Ų | 114.5 | 37% | 0.372 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N297 Y298 R303 L304 Q305 | N297-A301 WeakPolarHBondContact O-CB 3.34Å; N297-A301 PolarHBondContact O-N 3.16Å; Y298-A301 PolarHBondContact O-N 3.05Å; A301-R303 PolarHBondContact O-N 2.64Å; A301-L304 PolarHBondContact O-N 3.36Å; A301-Q305 WeakPolarHBondContact O-CG 3Å; A301-Q305 PolarHBondContact O-N 3.33Å |
| 302 | K | 84.6 | Confident | 83.8 | Confident | 107 Ų | 107 | 113 Ų | 113 | 47% | 0.465 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.9 | -39 | 175.5 | -172.3 | 176.4 | -175.9 | 174.7 | 0 | 112.5 | Y298 E299 L300 K306 | Y298-K302 WeakPolarHBondContact O-CB 3.37Å; Y298-K302 PolarHBondContact O-N 3.47Å; E299-K302 PolarHBondContact O-N 3Å; L300-K302 VanDerWaalsContact C-N 3.32Å; L300-K302 PolarHBondContact O-N 3.5Å; K302-K306 PolarHBondContact O-N 3.32Å |
| 303 | R | 86.7 | Confident | 82.9 | Confident | 146 Ų | 146 | 108.3 Ų | 108.3 | 55% | 0.551 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.6 | -45.7 | 173.7 | -70.7 | 173.3 | -173.2 | 176.9 | 2.4 | 110.8 | E299 L300 A301 Q305 K306 I307 | E299-R303 WeakPolarHBondContact O-CG 3.46Å; E299-R303 PolarHBondContact O-N 3.19Å; E299-R303 IonicContact OE1-CZ 3.37Å; E299-R303 IonicContact OE1-NE 3.54Å; E299-R303 PolarHBondContact OE1-NE 3.14Å; E299-R303 IonicContact OE1-NH2 3.42Å; E299-R303 PolarHBondContact OE1-NH2 3.35Å; E299-R303 IonicContact OE2-NH2 3.93Å; L300-R303 PolarHBondContact O-N 2.97Å; L300-R303 VanDerWaalsContact O-N 3.17Å; A301-R303 PolarHBondContact O-N 2.64Å; R303-Q305 VanDerWaalsContact C-N 3.28Å; R303-Q305 PolarHBondContact O-N 3.22Å; R303-K306 PolarHBondContact O-N 2.83Å; R303-I307 PolarHBondContact O-N 2.82Å |
| 304 | L | 82.1 | Confident | 82.5 | Confident | 78 Ų | 78 | 108.4 Ų | 108.4 | 41% | 0.408 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.7 | -32.6 | 178 | -69.9 | 177.4 | 0 | 0 | 0 | 112.7 | L300 A301 K306 I307 | L300-L304 HydrophobicContact CD1-CG 4.5Å; L300-L304 HydrophobicContact CG-CD1 4.22Å; L300-L304 HydrophobicContact CG-CG 4.42Å; L300-L304 WeakPolarHBondContact O-CB 3.45Å; L300-L304 VanDerWaalsContact O-CG 3.29Å; L300-L304 WeakPolarHBondContact O-CG 3.46Å; L300-L304 PolarHBondContact O-N 3Å; A301-L304 PolarHBondContact O-N 3.36Å; L304-K306 VanDerWaalsContact C-N 3.29Å; L304-K306 PolarHBondContact O-N 3.34Å; L304-I307 HydrophobicContact CD2-CD1 3.7Å; L304-I307 PolarHBondContact O-N 2.89Å |
| 305 | Q | 80.7 | Confident | 81.7 | Confident | 150 Ų | 150 | 107 Ų | 107 | 70% | 0.701 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.5 | -31.9 | 172.9 | -76.9 | 173.6 | -5.9 | 0 | 0 | 112.8 | A301 R303 | A301-Q305 WeakPolarHBondContact O-CG 3Å; A301-Q305 PolarHBondContact O-N 3.33Å; R303-Q305 VanDerWaalsContact C-N 3.28Å; R303-Q305 PolarHBondContact O-N 3.22Å |
| 306 | K | 79.8 | Confident | 81.2 | Confident | 164 Ų | 164 | 107.2 Ų | 107.2 | 71% | 0.713 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -83.1 | -12.9 | 178.1 | -66.2 | -177.9 | 177.9 | -166.5 | 0 | 113.6 | K302 R303 L304 R308 | K302-K306 PolarHBondContact O-N 3.32Å; R303-K306 PolarHBondContact O-N 2.83Å; L304-K306 VanDerWaalsContact C-N 3.29Å; L304-K306 PolarHBondContact O-N 3.34Å; K306-R308 PolarHBondContact O-N 3.16Å; K306-R308 VanDerWaalsContact O-N 3.15Å |
| 307 | I | 74 | Confident | 80.7 | Confident | 107 Ų | 107 | 104.8 Ų | 104.8 | 55% | 0.549 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -70 | 113.8 | 174 | -61.9 | 179.1 | 0 | 0 | 0 | 106.7 | R303 L304 | R303-I307 PolarHBondContact O-N 2.82Å; L304-I307 HydrophobicContact CD2-CD1 3.7Å; L304-I307 PolarHBondContact O-N 2.89Å |
| 308 | R | 71.6 | Confident | 80.3 | Confident | 193 Ų | 193 | 101.8 Ų | 101.8 | 73% | 0.728 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -51.7 | 137 | 176.4 | -171.8 | -176.2 | 170.6 | 165.3 | -0.6 | 109.1 | K306 T310 | K306-R308 PolarHBondContact O-N 3.16Å; K306-R308 VanDerWaalsContact O-N 3.15Å; R308-T310 PolarHBondContact O-N 2.87Å |
| 309 | P | 70.5 | Confident | 79.8 | Confident | 60 Ų | 60 | 97.5 Ų | 97.5 | 39% | 0.39 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 139.4 | 168.2 | 21.5 | -31.3 | 0 | 0 | 0 | 109.6 | T311 | P309-T311 PolarHBondContact O-N 3.34Š|
| 310 | T | 73.9 | Confident | 79.6 | Confident | 85 Ų | 85 | 100.9 Ų | 100.9 | 52% | 0.521 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -54 | 124.1 | 176.6 | -57.3 | 0 | 0 | 0 | 0 | 106.7 | R308 G312 M313 Q318 | R308-T310 PolarHBondContact O-N 2.87Å; T310-G312 PolarHBondContact O-N 3.25Å; T310-M313 PolarHBondContact O-N 2.91Å; T310-Q318 PolarHBondContact OG1-NE2 3.42Å |
| 311 | T | 70.5 | Confident | 79.1 | Confident | 124 Ų | 124 | 99.2 Ų | 99.2 | 76% | 0.761 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | 118.3 | -178.3 | -54.5 | 0 | 0 | 0 | 0 | 109.8 | P309 | P309-T311 PolarHBondContact O-N 3.34Š|
| 312 | G | 78.5 | Confident | 78.8 | Confident | 85 Ų | 85 | 103.3 Ų | 103.3 | 88% | 0.876 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.7 | -2.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116 | T310 | T310-G312 PolarHBondContact O-N 3.25Š|
| 313 | M | 76.7 | Confident | 78.6 | Confident | 51 Ų | 51 | 102.2 Ų | 102.2 | 25% | 0.251 | 50% | 0.5 | S | S | . | . | | | trans | -126.5 | 130 | -180 | -163 | 142.1 | 96.4 | 0 | 0 | 110.6 | T310 E317 Q318 D321 | T310-M313 PolarHBondContact O-N 2.91Å; M313-E317 HydrophobicContact CG-CB 3.63Å; M313-E317 HydrophobicContact CG-CG 3.55Å; M313-E317 WeakPolarHBondContact CG-OE2 3.47Å; M313-E317 HydrophobicContact SD-CB 4.47Å; M313-E317 HydrophobicContact SD-CG 3.82Å; M313-Q318 HydrophobicContact CB-CG 4.35Å; M313-Q318 HydrophobicContact CE-CB 4.3Å; M313-Q318 HydrophobicContact CE-CG 3.69Å; M313-Q318 HydrophobicContact CG-CG 3.97Å; M313-D321 HydrophobicContact CE-CB 4.45Å |
| 314 | T | 81.7 | Confident | 78.2 | Confident | 75 Ų | 75 | 103 Ų | 103 | 46% | 0.46 | 51% | 0.507 | S | S | . | . | | | trans | -73.4 | 161.3 | 178.3 | 82.7 | 0 | 0 | 0 | 0 | 111.1 | E316 E317 Q318 | T314-E316 WeakPolarHBondContact CB-OE2 3.48Å; T314-E316 PolarHBondContact O-N 2.84Å; T314-E316 PolarHBondContact OG1-OE2 3.43Å; T314-E317 WeakPolarHBondContact O-CB 3.41Å; T314-E317 PolarHBondContact O-N 2.88Å; T314-E317 VanDerWaalsContact O-N 3.14Å; T314-E317 PolarHBondContact OG1-N 3.46Å; T314-Q318 WeakPolarHBondContact O-CG 3.38Å; T314-Q318 PolarHBondContact O-N 2.87Å |
| 315 | R | 75.9 | Confident | 77.7 | Confident | 103 Ų | 103 | 107.8 Ų | 107.8 | 39% | 0.389 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.6 | -37.3 | 179.5 | 178.9 | 60.3 | 179.8 | 130.5 | 0.1 | 111.6 | Q318 L319 | R315-Q318 PolarHBondContact O-N 3.11Å; R315-L319 HydrophobicContact CG-CD1 4.39Å; R315-L319 WeakPolarHBondContact O-CG 3.45Å; R315-L319 PolarHBondContact O-N 3.48Å |
| 316 | E | 81.9 | Confident | 77 | Confident | 116 Ų | 116 | 107.1 Ų | 107.1 | 54% | 0.542 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 177.8 | -57.9 | 66 | -136.2 | 0 | 0 | 110.3 | T314 L319 R320 | T314-E316 WeakPolarHBondContact CB-OE2 3.48Å; T314-E316 PolarHBondContact O-N 2.84Å; T314-E316 PolarHBondContact OG1-OE2 3.43Å; E316-L319 PolarHBondContact O-N 2.78Å; E316-R320 WeakPolarHBondContact O-CG 3.35Å; E316-R320 PolarHBondContact O-N 2.89Å |
| 317 | E | 83.2 | Confident | 76.3 | Confident | 72 Ų | 72 | 103.1 Ų | 103.1 | 34% | 0.336 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 177.3 | -168.5 | 174.6 | -170.4 | 0 | 0 | 111.5 | M313 T314 L319 R320 D321 | M313-E317 HydrophobicContact CG-CB 3.63Å; M313-E317 HydrophobicContact CG-CG 3.55Å; M313-E317 WeakPolarHBondContact CG-OE2 3.47Å; M313-E317 HydrophobicContact SD-CB 4.47Å; M313-E317 HydrophobicContact SD-CG 3.82Å; T314-E317 WeakPolarHBondContact O-CB 3.41Å; T314-E317 PolarHBondContact O-N 2.88Å; T314-E317 VanDerWaalsContact O-N 3.14Å; T314-E317 PolarHBondContact OG1-N 3.46Å; E317-L319 VanDerWaalsContact C-N 3.31Å; E317-L319 PolarHBondContact O-N 3.28Å; E317-R320 PolarHBondContact O-N 2.83Å; E317-D321 PolarHBondContact O-N 3.33Å |
| 318 | Q | 80.4 | Confident | 75.6 | Confident | 31 Ų | 31 | 102 Ų | 102 | 15% | 0.145 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -58.3 | -40.6 | 171.4 | -67.1 | -174.7 | -41.4 | 0 | 0 | 113.1 | T310 M313 T314 R315 Y322 | T310-Q318 PolarHBondContact OG1-NE2 3.42Å; M313-Q318 HydrophobicContact CB-CG 4.35Å; M313-Q318 HydrophobicContact CE-CB 4.3Å; M313-Q318 HydrophobicContact CE-CG 3.69Å; M313-Q318 HydrophobicContact CG-CG 3.97Å; T314-Q318 WeakPolarHBondContact O-CG 3.38Å; T314-Q318 PolarHBondContact O-N 2.87Å; R315-Q318 PolarHBondContact O-N 3.11Å; Q318-Y322 VanDerWaalsContact O-CB 3.26Å; Q318-Y322 WeakPolarHBondContact O-CB 3.42Å; Q318-Y322 PolarHBondContact O-N 2.95Å |
| 319 | L | 81.5 | Confident | 75 | Confident | 70 Ų | 70 | 98 Ų | 98 | 37% | 0.366 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.5 | -37.9 | 177 | -75 | 173.6 | 0 | 0 | 0 | 111.9 | R315 E316 E317 K323 | R315-L319 HydrophobicContact CG-CD1 4.39Å; R315-L319 WeakPolarHBondContact O-CG 3.45Å; R315-L319 PolarHBondContact O-N 3.48Å; E316-L319 PolarHBondContact O-N 2.78Å; E317-L319 VanDerWaalsContact C-N 3.31Å; E317-L319 PolarHBondContact O-N 3.28Å; L319-K323 WeakPolarHBondContact O-CB 3.41Å; L319-K323 VanDerWaalsContact O-CG 3.27Å; L319-K323 WeakPolarHBondContact O-CG 3.33Å; L319-K323 PolarHBondContact O-N 3.42Å |
| 320 | R | 83.8 | Confident | 74.3 | Confident | 167 Ų | 167 | 100.6 Ų | 100.6 | 63% | 0.63 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.2 | -45.5 | 173.6 | -76 | -166.9 | -63.3 | -137.5 | 0.8 | 111.4 | E316 E317 K323 K324 | E316-R320 WeakPolarHBondContact O-CG 3.35Å; E316-R320 PolarHBondContact O-N 2.89Å; E317-R320 PolarHBondContact O-N 2.83Å; R320-K323 WeakPolarHBondContact O-CB 3.29Å; R320-K323 PolarHBondContact O-N 3.25Å; R320-K324 PolarHBondContact O-N 3.4Å |
| 321 | D | 79.7 | Confident | 73.5 | Confident | 55 Ų | 55 | 101 Ų | 101 | 29% | 0.294 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 177 | -87.2 | 2 | 0 | 0 | 0 | 111.6 | M313 E317 K323 K324 Y325 | M313-D321 HydrophobicContact CE-CB 4.45Å; E317-D321 PolarHBondContact O-N 3.33Å; D321-K323 VanDerWaalsContact C-N 3.3Å; D321-K323 PolarHBondContact O-N 2.9Å; D321-K324 WeakPolarHBondContact O-CA 3.47Å; D321-K324 VanDerWaalsContact O-CB 3.28Å; D321-K324 WeakPolarHBondContact O-CB 3.32Å; D321-K324 PolarHBondContact O-N 3.37Å; D321-Y325 HydrophobicContact CB-CE2 4.39Å; D321-Y325 WeakPolarHBondContact O-CD2 3.33Å; D321-Y325 PolarHBondContact O-N 3.45Å; D321-Y325 VanDerWaalsContact O-N 3.12Å |
| 322 | Y | 76.4 | Confident | 72.6 | Confident | 130 Ų | 130 | 101.6 Ų | 101.6 | 51% | 0.51 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.1 | -43.4 | 175.5 | -171.3 | -93.9 | 0 | 0 | 0 | 111.5 | Q318 K324 Y325 F326 | Q318-Y322 VanDerWaalsContact O-CB 3.26Å; Q318-Y322 WeakPolarHBondContact O-CB 3.42Å; Q318-Y322 PolarHBondContact O-N 2.95Å; Y322-K324 VanDerWaalsContact C-N 3.3Å; Y322-K324 PolarHBondContact O-N 3.44Å; Y322-Y325 PolarHBondContact O-N 3.48Å; Y322-Y325 VanDerWaalsContact O-N 3.15Å; Y322-F326 AromaticContact CD1-CD2 3.85Å; Y322-F326 HydrophobicContact CD1-CD2 3.85Å; Y322-F326 HydrophobicContact CD1-CE2 4.4Å; Y322-F326 AromaticContact CD2-CD2 3.88Å; Y322-F326 HydrophobicContact CD2-CD2 3.88Å; Y322-F326 AromaticContact CD2-CE2 3.7Å; Y322-F326 HydrophobicContact CD2-CE2 3.7Å; Y322-F326 AromaticContact CE1-CD2 3.5Å; Y322-F326 HydrophobicContact CE1-CD2 3.5Å; Y322-F326 AromaticContact CE1-CE2 3.87Å; Y322-F326 HydrophobicContact CE1-CE2 3.87Å; Y322-F326 HydrophobicContact CE1-CG 4.01Å; Y322-F326 AromaticContact CE2-CD2 3.55Å; Y322-F326 HydrophobicContact CE2-CD2 3.55Å; Y322-F326 AromaticContact CE2-CE2 3.08Å; Y322-F326 HydrophobicContact CE2-CE2 3.08Å; Y322-F326 AromaticContact CE2-CZ 3.86Å; Y322-F326 HydrophobicContact CE2-CZ 3.86Å; Y322-F326 HydrophobicContact CG-CD2 4.03Å; Y322-F326 HydrophobicContact CG-CE2 4.32Å; Y322-F326 AromaticContact CZ-CD2 3.34Å; Y322-F326 AromaticContact CZ-CE2 3.17Å; Y322-F326 AromaticContact CZ-CZ 3.72Å; Y322-F326 WeakPolarHBondContact O-CD2 3.43Å; Y322-F326 PolarHBondContact O-N 3.35Å; Y322-F326 WeakPolarHBondContact OH-CE2 3.39Å; Y322-F326 WeakPolarHBondContact OH-CZ 3.25Å |
| 323 | K | 80.1 | Confident | 71.3 | Confident | 85 Ų | 85 | 106.3 Ų | 106.3 | 37% | 0.37 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.5 | -39.6 | 173.5 | -78.9 | 177.3 | -176 | -180 | 0 | 112 | F25 L319 R320 D321 Y325 F326 I327 | F25-K323 VanDerWaalsContact CE1-NZ 3.27Å; L319-K323 WeakPolarHBondContact O-CB 3.41Å; L319-K323 VanDerWaalsContact O-CG 3.27Å; L319-K323 WeakPolarHBondContact O-CG 3.33Å; L319-K323 PolarHBondContact O-N 3.42Å; R320-K323 WeakPolarHBondContact O-CB 3.29Å; R320-K323 PolarHBondContact O-N 3.25Å; D321-K323 VanDerWaalsContact C-N 3.3Å; D321-K323 PolarHBondContact O-N 2.9Å; K323-Y325 VanDerWaalsContact C-N 3.28Å; K323-Y325 PolarHBondContact O-N 2.67Å; K323-F326 PolarHBondContact O-N 2.84Å; K323-I327 HydrophobicContact CB-CD1 3.89Å; K323-I327 HydrophobicContact CB-CG1 4.48Å; K323-I327 HydrophobicContact CG-CD1 4.28Å; K323-I327 WeakPolarHBondContact O-CA 3.35Å; K323-I327 WeakPolarHBondContact O-CB 3.4Å; K323-I327 WeakPolarHBondContact O-CG1 3.3Å; K323-I327 PolarHBondContact O-N 3.18Å |
| 324 | K | 79.6 | Confident | 70.1 | Confident | 162 Ų | 162 | 108.4 Ų | 108.4 | 70% | 0.704 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.4 | -32.7 | 176.3 | -171 | -179.3 | 177.9 | -177.5 | 0 | 113 | R320 D321 Y322 | R320-K324 PolarHBondContact O-N 3.4Å; D321-K324 WeakPolarHBondContact O-CA 3.47Å; D321-K324 VanDerWaalsContact O-CB 3.28Å; D321-K324 WeakPolarHBondContact O-CB 3.32Å; D321-K324 PolarHBondContact O-N 3.37Å; Y322-K324 VanDerWaalsContact C-N 3.3Å; Y322-K324 PolarHBondContact O-N 3.44Å |
| 325 | Y | 70.1 | Confident | 68.5 | Low | 178 Ų | 178 | 115.3 Ų | 115.3 | 70% | 0.698 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -81.3 | -32.3 | 178 | -68.2 | -69.3 | 0 | 0 | 0 | 113.9 | D321 Y322 K323 | D321-Y325 HydrophobicContact CB-CE2 4.39Å; D321-Y325 WeakPolarHBondContact O-CD2 3.33Å; D321-Y325 PolarHBondContact O-N 3.45Å; D321-Y325 VanDerWaalsContact O-N 3.12Å; Y322-Y325 PolarHBondContact O-N 3.48Å; Y322-Y325 VanDerWaalsContact O-N 3.15Å; K323-Y325 VanDerWaalsContact C-N 3.28Å; K323-Y325 PolarHBondContact O-N 2.67Å |
| 326 | F | 66.8 | Low | 67.2 | Low | 136 Ų | 136 | 118.4 Ų | 118.4 | 60% | 0.596 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -99.5 | -25.8 | -176 | -77.4 | -89.2 | 0 | 0 | 0 | 114.3 | Y322 K323 T328 | Y322-F326 AromaticContact CD1-CD2 3.85Å; Y322-F326 HydrophobicContact CD1-CD2 3.85Å; Y322-F326 HydrophobicContact CD1-CE2 4.4Å; Y322-F326 AromaticContact CD2-CD2 3.88Å; Y322-F326 HydrophobicContact CD2-CD2 3.88Å; Y322-F326 AromaticContact CD2-CE2 3.7Å; Y322-F326 HydrophobicContact CD2-CE2 3.7Å; Y322-F326 AromaticContact CE1-CD2 3.5Å; Y322-F326 HydrophobicContact CE1-CD2 3.5Å; Y322-F326 AromaticContact CE1-CE2 3.87Å; Y322-F326 HydrophobicContact CE1-CE2 3.87Å; Y322-F326 HydrophobicContact CE1-CG 4.01Å; Y322-F326 AromaticContact CE2-CD2 3.55Å; Y322-F326 HydrophobicContact CE2-CD2 3.55Å; Y322-F326 AromaticContact CE2-CE2 3.08Å; Y322-F326 HydrophobicContact CE2-CE2 3.08Å; Y322-F326 AromaticContact CE2-CZ 3.86Å; Y322-F326 HydrophobicContact CE2-CZ 3.86Å; Y322-F326 HydrophobicContact CG-CD2 4.03Å; Y322-F326 HydrophobicContact CG-CE2 4.32Å; Y322-F326 AromaticContact CZ-CD2 3.34Å; Y322-F326 AromaticContact CZ-CE2 3.17Å; Y322-F326 AromaticContact CZ-CZ 3.72Å; Y322-F326 WeakPolarHBondContact O-CD2 3.43Å; Y322-F326 PolarHBondContact O-N 3.35Å; Y322-F326 WeakPolarHBondContact OH-CE2 3.39Å; Y322-F326 WeakPolarHBondContact OH-CZ 3.25Å; K323-F326 PolarHBondContact O-N 2.84Å; F326-T328 VanDerWaalsContact C-N 3.3Å; F326-T328 PolarHBondContact O-N 3.37Å |
| 327 | I | 65.1 | Low | 65.5 | Low | 80 Ų | 80 | 121.7 Ų | 121.7 | 41% | 0.41 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -77.3 | 92 | 166.6 | -57.8 | 172 | 0 | 0 | 0 | 105.7 | K323 | K323-I327 HydrophobicContact CB-CD1 3.89Å; K323-I327 HydrophobicContact CB-CG1 4.48Å; K323-I327 HydrophobicContact CG-CD1 4.28Å; K323-I327 WeakPolarHBondContact O-CA 3.35Å; K323-I327 WeakPolarHBondContact O-CB 3.4Å; K323-I327 WeakPolarHBondContact O-CG1 3.3Å; K323-I327 PolarHBondContact O-N 3.18Å |
| 328 | T | 59.2 | Low | 63.8 | Low | 83 Ų | 83 | 122.2 Ų | 122.2 | 51% | 0.509 | 59% | 0.586 | S | S | . | * | | | trans | -49 | 129.9 | 166.9 | -55.3 | 0 | 0 | 0 | 0 | 107 | F326 N330 S331 | F326-T328 VanDerWaalsContact C-N 3.3Å; F326-T328 PolarHBondContact O-N 3.37Å; T328-N330 HydrophobicContact CG2-CB 3.9Å; T328-N330 PolarHBondContact O-N 2.76Å; T328-S331 PolarHBondContact O-N 3.26Å; T328-S331 VanDerWaalsContact O-N 3.08Å |
| 329 | P | 59.1 | Low | 61.9 | Low | 109 Ų | 109 | 125.2 Ų | 125.2 | 71% | 0.708 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 4.3 | 179.3 | 21.6 | -31.7 | 0 | 0 | 0 | 114.3 | | |
| 330 | N | 56.3 | Low | 60.4 | Low | 115 Ų | 115 | 131 Ų | 131 | 62% | 0.615 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -11.4 | 175.4 | -66.6 | -15.8 | 0 | 0 | 0 | 114.6 | T328 | T328-N330 HydrophobicContact CG2-CB 3.9Å; T328-N330 PolarHBondContact O-N 2.76Å |
| 331 | S | 56.4 | Low | 58.6 | Low | 94 Ų | 94 | 130.4 Ų | 130.4 | 66% | 0.657 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -97.2 | -3.5 | 175.3 | 78.3 | 0 | 0 | 0 | 0 | 114.1 | T328 | T328-S331 PolarHBondContact O-N 3.26Å; T328-S331 VanDerWaalsContact O-N 3.08Å |
| 332 | L | 52.8 | Low | 57.1 | Low | 137 Ų | 137 | 135.8 Ų | 135.8 | 72% | 0.717 | 66% | 0.66 | S | S | * | * | | | trans | -116 | 53.1 | 174 | -153.7 | 78.9 | 0 | 0 | 0 | 109.2 | P334 | L332-P334 WeakPolarHBondContact O-CD 3.46Š|
| 333 | Y | 49.3 | Very low | 55.5 | Low | 183 Ų | 183 | 136.1 Ų | 136.1 | 72% | 0.718 | 67% | 0.671 | S | S | * | * | | | trans | -68.5 | 114.8 | 156.5 | -92.1 | -86.7 | 0 | 0 | 0 | 106.2 | Y335 | Y333-Y335 PolarHBondContact O-N 2.79Š|
| 334 | P | 53.4 | Low | 53.7 | Low | 96 Ų | 96 | 141.2 Ų | 141.2 | 62% | 0.623 | 69% | 0.693 | S | S | * | * | | | trans | -56.9 | 130.8 | 161 | 26.5 | -30.1 | 0 | 0 | 0 | 105.4 | L332 Q336 | L332-P334 WeakPolarHBondContact O-CD 3.46Å; P334-Q336 PolarHBondContact O-N 3.03Å |
| 335 | Y | 46.8 | Very low | 51.7 | Low | 220 Ų | 220 | 140.3 Ų | 140.3 | 86% | 0.863 | 69% | 0.691 | S | S | * | * | | | trans | -61.2 | 76.6 | 169.6 | -156.5 | -90.7 | 0 | 0 | 0 | 107.4 | Y333 K337 | Y333-Y335 PolarHBondContact O-N 2.79Å; Y335-K337 VanDerWaalsContact C-N 3.27Å; Y335-K337 HydrophobicContact CD1-CG 4.36Å; Y335-K337 PolarHBondContact O-N 3.01Å |
| 336 | Q | 48.7 | Very low | 50.5 | Low | 167 Ų | 167 | 137.5 Ų | 137.5 | 78% | 0.78 | 69% | 0.687 | S | S | * | * | | | trans | -65.5 | 101 | 163.9 | -90.1 | -174.1 | -11.4 | 0 | 0 | 104.4 | P334 S338 | P334-Q336 PolarHBondContact O-N 3.03Å; Q336-S338 PolarHBondContact O-N 3.18Å |
| 337 | K | 47.6 | Very low | 49.1 | Very low | 186 Ų | 186 | 137.6 Ų | 137.6 | 81% | 0.809 | 69% | 0.694 | S | S | * | * | | | trans | -48.9 | 81.6 | 155.4 | -81.9 | 175.5 | 172.1 | 173.2 | 0 | 107.7 | Y335 S339 | Y335-K337 VanDerWaalsContact C-N 3.27Å; Y335-K337 HydrophobicContact CD1-CG 4.36Å; Y335-K337 PolarHBondContact O-N 3.01Å; K337-S339 PolarHBondContact O-N 2.84Å |
| 338 | S | 45.6 | Very low | 48.3 | Very low | 83 Ų | 83 | 143.6 Ų | 143.6 | 58% | 0.58 | 72% | 0.72 | S | S | * | * | | | trans | -82.6 | 105.9 | 170.1 | 71.4 | 0 | 0 | 0 | 0 | 106.1 | Q336 Y340 | Q336-S338 PolarHBondContact O-N 3.18Å; S338-Y340 PolarHBondContact O-N 2.77Å |
| 339 | S | 42 | Very low | 47.8 | Very low | 93 Ų | 93 | 148 Ų | 148 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | | | trans | -68 | 41.4 | 177.6 | 42.4 | 0 | 0 | 0 | 0 | 112.8 | K337 | K337-S339 PolarHBondContact O-N 2.84Š|
| 340 | Y | 48.7 | Very low | 47.1 | Very low | 192 Ų | 192 | 150.1 Ų | 150.1 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | | | trans | -122.4 | 46.8 | -179.9 | -51.5 | -73.7 | 0 | 0 | 0 | 112.2 | S338 | S338-Y340 PolarHBondContact O-N 2.77Š|
| 341 | L | 45.9 | Very low | 46.7 | Very low | 154 Ų | 154 | 152.8 Ų | 152.8 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | | | trans | -128.8 | 21.2 | 160.9 | -79.4 | 175.6 | 0 | 0 | 0 | 112.7 | F344 | L341-F344 HydrophobicContact CD2-CD2 4.42Š|
| 342 | Q | 49.7 | Very low | 46.4 | Very low | 169 Ų | 169 | 157 Ų | 157 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -91.3 | 5.2 | 179.5 | -156.1 | 160.9 | 2.2 | 0 | 0 | 114.3 | | |
| 343 | N | 42.7 | Very low | 46.2 | Very low | 137 Ų | 137 | 157.3 Ų | 157.3 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | | | trans | -126.5 | 13.7 | -177 | -78.5 | -28.7 | 0 | 0 | 0 | 116.3 | H345 | N343-H345 PolarHBondContact O-N 3.15Š|
| 344 | F | 41.4 | Very low | 46.2 | Very low | 192 Ų | 192 | 158.6 Ų | 158.6 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | trans | -86.1 | 67.3 | 158.7 | -73.4 | -72.3 | 0 | 0 | 0 | 109.9 | L341 | L341-F344 HydrophobicContact CD2-CD2 4.42Š|
| 345 | H | 38.7 | Very low | 45.8 | Very low | 143 Ų | 143 | 163.5 Ų | 163.5 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | | | trans | -51.4 | 132.7 | 162.5 | -101.4 | -34.3 | 0 | 0 | 0 | 111.2 | N343 | N343-H345 PolarHBondContact O-N 3.15Š|
| 346 | I | 43.5 | Very low | 46 | Very low | 118 Ų | 118 | 160 Ų | 160 | 61% | 0.605 | 78% | 0.781 | S | S | * | * | | | | 62.8 | 102.4 | 125.5 | -57.6 | 168.6 | 0 | 0 | 0 | 116 | | |
| 347 | N | 38.4 | Very low | 46 | Very low | 138 Ų | 138 | 161.2 Ų | 161.2 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | 135.9 | 82.6 | 138.8 | -77.5 | -34.6 | 0 | 0 | 0 | 113 | | |
| 348 | Q | 48.3 | Very low | 46.1 | Very low | 206 Ų | 206 | 160.4 Ų | 160.4 | 96% | 0.963 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -111.5 | 28.6 | 155.9 | -76.2 | -160 | 16.2 | 0 | 0 | 112.7 | | |
| 349 | K | 47.6 | Very low | 45.9 | Very low | 176 Ų | 176 | 162.5 Ų | 162.5 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -127.5 | 131.8 | 166.8 | -70.4 | -178.2 | 179.8 | 175 | 0 | 108.4 | | |
| 350 | N | 45.7 | Very low | 45.9 | Very low | 153 Ų | 153 | 166 Ų | 166 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | 97.1 | 73.4 | 174.6 | -51.1 | -24.9 | 0 | 0 | 0 | 116.4 | | |
| 351 | I | 47.8 | Very low | 45.9 | Very low | 171 Ų | 171 | 166 Ų | 166 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | | | trans | -139.1 | 89.2 | 137.2 | -53.1 | -179.6 | 0 | 0 | 0 | 108.3 | | |
| 352 | K | 49.3 | Very low | 46.2 | Very low | 184 Ų | 184 | 164.1 Ų | 164.1 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | | | trans | -84.6 | 136.6 | 155.4 | -72.7 | -180 | 177.6 | 177.1 | 0 | 107.1 | | |
| 353 | N | 48.6 | Very low | 46.2 | Very low | 142 Ų | 142 | 163.7 Ų | 163.7 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | | | trans | 67 | 107.7 | 154 | -48.1 | -21.9 | 0 | 0 | 0 | 117.6 | | |
| 354 | K | 49.5 | Very low | 46.3 | Very low | 211 Ų | 211 | 165.4 Ų | 165.4 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | | | | -174.9 | 137.4 | 116.5 | -102.9 | 167.3 | 179.9 | 178 | 0 | 112 | | |
| 355 | K | 46.1 | Very low | 46.8 | Very low | 199 Ų | 199 | 164 Ų | 164 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | | | trans | -61.6 | 144.4 | 174.6 | -62.9 | 163.4 | 172.5 | 174.1 | 0 | 111.1 | | |
| 356 | T | 50.7 | Low | 47.4 | Very low | 145 Ų | 145 | 161.6 Ų | 161.6 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | | | trans | -165 | 121.6 | 130 | 37 | 0 | 0 | 0 | 0 | 110.1 | | |
| 357 | K | 48.8 | Very low | 47.7 | Very low | 194 Ų | 194 | 164.1 Ų | 164.1 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | | | trans | -71.3 | 150.1 | 165.6 | -65.6 | 171.5 | 173.3 | 179.8 | 0 | 108.7 | | |
| 358 | N | 48.9 | Very low | 48.2 | Very low | 169 Ų | 169 | 165.5 Ų | 165.5 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | | | trans | -171.5 | 113.6 | 133.3 | -88.4 | -15.5 | 0 | 0 | 0 | 111.1 | | |
| 359 | T | 41.2 | Very low | 48.1 | Very low | 127 Ų | 127 | 159.6 Ų | 159.6 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | | | trans | -87.6 | 141.7 | 167.2 | 37.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 360 | L | 42.2 | Very low | 48.2 | Very low | 165 Ų | 165 | 162 Ų | 162 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | trans | 166.4 | 141.9 | 147.1 | -113.4 | 94.1 | 0 | 0 | 0 | 106.8 | | |
| 361 | K | 48.7 | Very low | 48 | Very low | 193 Ų | 193 | 162 Ų | 162 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | | | cis | -168.1 | 155.6 | -24.9 | -111.7 | -168 | 180 | -170.3 | 0 | 104.7 | | |
| 362 | P | 53.4 | Low | 48.1 | Very low | 115 Ų | 115 | 161.4 Ų | 161.4 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | | | trans | -105.1 | 169.2 | -174.7 | 39.3 | -30.9 | 0 | 0 | 0 | 114.3 | | |
| 363 | N | 49.3 | Very low | 47.8 | Very low | 159 Ų | 159 | 161.6 Ų | 161.6 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | trans | -142.6 | 107.1 | 162 | -84.4 | -14.6 | 0 | 0 | 0 | 106.9 | | |
| 364 | E | 44.7 | Very low | 47.5 | Very low | 174 Ų | 174 | 163 Ų | 163 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | | 55.7 | 115.4 | 91.5 | -67 | -158.6 | -172.4 | 0 | 0 | 116 | | |
| 365 | L | 52.2 | Low | 47.1 | Very low | 163 Ų | 163 | 158.8 Ų | 158.8 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | | | | -172.5 | 147.8 | 107.6 | -89.4 | 172.7 | 0 | 0 | 0 | 112.3 | | |
| 366 | P | 51.2 | Low | 46.9 | Very low | 92 Ų | 92 | 157 Ų | 157 | 60% | 0.597 | 79% | 0.789 | S | S | * | * | | | trans | -116.4 | -179.3 | -166 | 42 | -30 | 0 | 0 | 0 | 113.7 | | |
| 367 | F | 49.4 | Very low | 46.4 | Very low | 170 Ų | 170 | 155.2 Ų | 155.2 | 75% | 0.746 | 78% | 0.783 | S | S | * | * | | | trans | -174.1 | 126.8 | 136 | -91.6 | -57.1 | 0 | 0 | 0 | 115.2 | | |
| 368 | K | 49.4 | Very low | 46.2 | Very low | 167 Ų | 167 | 152.8 Ų | 152.8 | 73% | 0.726 | 78% | 0.779 | S | S | * | * | | | trans | 61 | 112.1 | 138.7 | -73.4 | 159.9 | -178.9 | 174.8 | 0 | 120.2 | | |
| 369 | S | 44.8 | Very low | 46.1 | Very low | 83 Ų | 83 | 151.3 Ų | 151.3 | 58% | 0.58 | 77% | 0.771 | S | S | * | * | | | | 87.6 | 126.4 | 56.5 | 74.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 370 | Y | 49.9 | Very low | 46.3 | Very low | 225 Ų | 225 | 151.9 Ų | 151.9 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | | | | -173 | 135.7 | 118.9 | -95.4 | -71.9 | 0 | 0 | 0 | 111.2 | | |
| 371 | N | 42.4 | Very low | 46.5 | Very low | 154 Ų | 154 | 151.8 Ų | 151.8 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | | | trans | -78.5 | 179.1 | -169 | -66.1 | -50.8 | 0 | 0 | 0 | 114.7 | | |
| 372 | K | 49.9 | Very low | 46.3 | Very low | 158 Ų | 158 | 146.5 Ų | 146.5 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | | | | 160.1 | 115.4 | 105.9 | -165.4 | 160.5 | -171.8 | 178 | 0 | 116.4 | | |
| 373 | Y | 42.7 | Very low | 45.9 | Very low | 189 Ų | 189 | 147.3 Ų | 147.3 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | trans | 70.6 | 145.6 | 148.5 | -54.7 | -28.1 | 0 | 0 | 0 | 121.3 | | |
| 374 | Q | 42.5 | Very low | 45.8 | Very low | 172 Ų | 172 | 145.4 Ų | 145.4 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | | | cis | -156.4 | 129 | 30.7 | -103.2 | 146.6 | 34.7 | 0 | 0 | 108.8 | | |
| 375 | T | 40.6 | Very low | 45.8 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | | | | 59.5 | 124.9 | 89.7 | 63.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 376 | N | 41.9 | Very low | 45.4 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | | | trans | 115.5 | 135.2 | 131 | -87.4 | 6.9 | 0 | 0 | 0 | 123.4 | | |
| 377 | S | 41.3 | Very low | 45.3 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | | | trans | 109.9 | 96.6 | 149.7 | -150.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 378 | N | 44 | Very low | 45.2 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | | | | 74.6 | 112 | 80 | -81.3 | -0.6 | 0 | 0 | 0 | 115.8 | | |
| 379 | N | 46.9 | Very low | 45.3 | Very low | 139 Ų | 139 | 141.2 Ų | 141.2 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | | 158.7 | 114.8 | 103.8 | -100.9 | -12 | 0 | 0 | 0 | 115 | | |
| 380 | N | 45.4 | Very low | 45.4 | Very low | 138 Ų | 138 | 144.4 Ų | 144.4 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | | | | 27.9 | 125.2 | 129 | -57 | -18.7 | 0 | 0 | 0 | 123 | | |
| 381 | N | 45.5 | Very low | 45.3 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | | | | 159.6 | 155.3 | 116.8 | -99.2 | -13.9 | 0 | 0 | 0 | 109.8 | | |
| 382 | S | 45.1 | Very low | 45.5 | Very low | 82 Ų | 82 | 142.1 Ų | 142.1 | 57% | 0.573 | 76% | 0.758 | S | S | * | * | | | cis | 171.3 | 142.1 | -34.7 | -179.3 | 0 | 0 | 0 | 0 | 104.8 | | |
| 383 | N | 45.2 | Very low | 45.2 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | | | trans | 70.3 | 147.5 | 160.4 | -62.9 | -20.2 | 0 | 0 | 0 | 118.5 | | |
| 384 | N | 46.6 | Very low | 45.5 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 63% | 0.631 | 76% | 0.76 | S | S | * | * | | | cis | -169.7 | 152.9 | -9.8 | -107.7 | -25.2 | 0 | 0 | 0 | 107.7 | | |
| 385 | N | 44.6 | Very low | 45.6 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | | | trans | 37.5 | 126.7 | 144.2 | -56.9 | -20.8 | 0 | 0 | 0 | 119.3 | | |
| 386 | G | 43.6 | Very low | 46 | Very low | 65 Ų | 65 | 145.7 Ų | 145.7 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | | | cis | 116.5 | 117.2 | 36.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 387 | N | 50.6 | Low | 46.2 | Very low | 174 Ų | 174 | 145.1 Ų | 145.1 | 93% | 0.93 | 76% | 0.764 | S | S | * | * | | | trans | -176.7 | 129.6 | 143.4 | -97.4 | -21.3 | 0 | 0 | 0 | 112.7 | | |
| 388 | N | 46.4 | Very low | 46.7 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | | | trans | -85.9 | 155.8 | 176.6 | -61.5 | -44.6 | 0 | 0 | 0 | 110.6 | | |
| 389 | N | 52 | Low | 46.7 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | | | | 163.7 | 114.1 | 120.5 | -78.5 | -26.1 | 0 | 0 | 0 | 114.4 | | |
| 390 | N | 46.1 | Very low | 47 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | | | | 45 | 119.7 | 126.7 | -67.2 | -25.4 | 0 | 0 | 0 | 123.3 | | |
| 391 | M | 47.5 | Very low | 47.2 | Very low | 171 Ų | 171 | 147 Ų | 147 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | | | | -168.1 | 111.8 | 122.1 | -92.3 | -145.5 | 74.8 | 0 | 0 | 108.5 | | |
| 392 | K | 46.5 | Very low | 47.5 | Very low | 160 Ų | 160 | 147.2 Ų | 147.2 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | | | | 41 | 136 | 91.9 | -79.2 | -175 | 175.3 | 171.1 | 0 | 113.7 | | |
| 393 | R | 43.6 | Very low | 47.6 | Very low | 185 Ų | 185 | 151.5 Ų | 151.5 | 70% | 0.698 | 78% | 0.782 | S | S | * | * | | | cis | 179.9 | 162.3 | -4.9 | -109.4 | 178.8 | -173 | -174.8 | -0.6 | 105.4 | | |
| 394 | F | 48.9 | Very low | 47.9 | Very low | 177 Ų | 177 | 153.4 Ų | 153.4 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | 115.5 | 121.2 | 147.5 | -72.5 | -71.4 | 0 | 0 | 0 | 119.6 | | |
| 395 | N | 44.7 | Very low | 47.5 | Very low | 149 Ų | 149 | 155 Ų | 155 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | -68.4 | 164.3 | 177.1 | -49.8 | -55.6 | 0 | 0 | 0 | 113 | | |
| 396 | K | 50.7 | Low | 47.5 | Very low | 204 Ų | 204 | 154.8 Ų | 154.8 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | | -179.4 | 140.3 | 103.8 | -147.3 | 157.9 | 179.8 | 175.3 | 0 | 113 | | |
| 397 | D | 45.5 | Very low | 47.2 | Very low | 149 Ų | 149 | 156.6 Ų | 156.6 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | -66.5 | 147 | 175.1 | -56.3 | -66.3 | 0 | 0 | 0 | 114.7 | | |
| 398 | V | 51.4 | Low | 46.8 | Very low | 140 Ų | 140 | 159.7 Ų | 159.7 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | | | trans | -166.5 | 126.1 | 139.1 | -172.1 | 0 | 0 | 0 | 0 | 104.8 | | |
| 399 | G | 43.9 | Very low | 46.7 | Very low | 60 Ų | 60 | 160 Ų | 160 | 62% | 0.619 | 80% | 0.804 | S | S | * | * | | | cis | 107.4 | 81.2 | 16.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 400 | D | 53.8 | Low | 46.4 | Very low | 169 Ų | 169 | 159 Ų | 159 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | | | trans | -156.8 | 134.3 | 159.3 | -90.8 | -33.8 | 0 | 0 | 0 | 113.6 | | |
| 401 | K | 49.8 | Very low | 46.3 | Very low | 199 Ų | 199 | 160 Ų | 160 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | | | trans | -107.5 | 140.1 | -178.4 | -68.6 | 171.7 | 176.9 | 174.3 | 0 | 108.7 | | |
| 402 | I | 51.7 | Low | 46.4 | Very low | 166 Ų | 166 | 157.8 Ų | 157.8 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | | | trans | -135.5 | 115.7 | 155.4 | -56.5 | 179.5 | 0 | 0 | 0 | 108.8 | | |
| 403 | K | 46.8 | Very low | 46.3 | Very low | 173 Ų | 173 | 158.6 Ų | 158.6 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | | | trans | -94.5 | 136.7 | 163.7 | -92.5 | -178.6 | 164.2 | -161.6 | 0 | 107.1 | | |
| 404 | L | 50.7 | Low | 46.4 | Very low | 172 Ų | 172 | 157.4 Ų | 157.4 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | | | trans | -139.9 | 123.1 | 149.2 | -82.1 | 175.1 | 0 | 0 | 0 | 109.8 | | |
| 405 | E | 38.8 | Very low | 46.2 | Very low | 153 Ų | 153 | 156.4 Ų | 156.4 | 72% | 0.715 | 81% | 0.813 | S | S | * | * | | | trans | -81 | 149 | 170.4 | -66 | 165.1 | 171.4 | 0 | 0 | 109.1 | | |
| 406 | T | 44.6 | Very low | 46.2 | Very low | 145 Ų | 145 | 153.5 Ų | 153.5 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | | | trans | -165.8 | 121.5 | 133 | 38.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 407 | S | 37.3 | Very low | 45.9 | Very low | 103 Ų | 103 | 150.3 Ų | 150.3 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | | | trans | -71 | 150 | 169.3 | 39.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 408 | Y | 42.3 | Very low | 46 | Very low | 240 Ų | 240 | 149.3 Ų | 149.3 | 94% | 0.941 | 79% | 0.791 | S | S | * | * | | | trans | -148.7 | 118.8 | 143.8 | -104 | -80.4 | 0 | 0 | 0 | 110.7 | | |
| 409 | N | 43.5 | Very low | 45.6 | Very low | 149 Ų | 149 | 151 Ų | 151 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | trans | -82.9 | 149 | 167.5 | -83.3 | -25.3 | 0 | 0 | 0 | 109.6 | | |
| 410 | S | 47.3 | Very low | 45.4 | Very low | 125 Ų | 125 | 153.4 Ų | 153.4 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | trans | -160.4 | 117.7 | 143.8 | 39.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 411 | E | 43.9 | Very low | 45.1 | Very low | 171 Ų | 171 | 150.5 Ų | 150.5 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | trans | -69.6 | 148.6 | 173.1 | -68.4 | 156.4 | 116.7 | 0 | 0 | 111.9 | | |
| 412 | S | 49 | Very low | 44.7 | Very low | 125 Ų | 125 | 148 Ų | 148 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -149.8 | 132.4 | 137.2 | 74.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 413 | K | 44.8 | Very low | 44.2 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | | | trans | -95.3 | 154.5 | 176.2 | -61.9 | 172.8 | 177.4 | 174.2 | 0 | 108.4 | | |
| 414 | H | 45.6 | Very low | 44 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | | | trans | -174.6 | 111.5 | 140.2 | -100.6 | -73.9 | 0 | 0 | 0 | 107.5 | | |
| 415 | E | 43.9 | Very low | 43.7 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 73% | 0.729 | 78% | 0.778 | S | S | * | * | | | | 75.8 | 97.5 | 106.5 | -82.1 | -179.8 | 166.4 | 0 | 0 | 112.4 | | |
| 416 | S | 44.9 | Very low | 44 | Very low | 88 Ų | 88 | 147.3 Ų | 147.3 | 62% | 0.615 | 79% | 0.786 | S | S | * | * | | | | 63.8 | 114.2 | 84.7 | 66.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 417 | D | 45.5 | Very low | 44.1 | Very low | 137 Ų | 137 | 147.2 Ų | 147.2 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | | 171.4 | 136.7 | 113.5 | -90.2 | -14.1 | 0 | 0 | 0 | 115.7 | | |
| 418 | L | 47.6 | Very low | 44.6 | Very low | 128 Ų | 128 | 151.4 Ų | 151.4 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | | | trans | 68.4 | 108.8 | 142.9 | -57.4 | 164.7 | 0 | 0 | 0 | 120.7 | | |
| 419 | H | 43 | Very low | 45 | Very low | 175 Ų | 175 | 150.4 Ų | 150.4 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | | | | 168.4 | 110.1 | 99.1 | -86.7 | -64.3 | 0 | 0 | 0 | 112 | | |
| 420 | S | 39.8 | Very low | 45 | Very low | 111 Ų | 111 | 148 Ų | 148 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | -82 | 140.6 | 164.2 | 48.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 421 | S | 46.8 | Very low | 45.1 | Very low | 107 Ų | 107 | 151.9 Ų | 151.9 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | | 175.3 | 129 | 126.1 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 422 | N | 41.8 | Very low | 45.7 | Very low | 146 Ų | 146 | 151.3 Ų | 151.3 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | | | trans | 50.1 | 116 | 138.4 | -79.7 | -37.2 | 0 | 0 | 0 | 120.4 | | |
| 423 | L | 39.5 | Very low | 45.6 | Very low | 152 Ų | 152 | 154.3 Ų | 154.3 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | | | | -158.4 | 109.7 | 112.6 | -153.7 | 65.1 | 0 | 0 | 0 | 111.7 | | |
| 424 | N | 43.3 | Very low | 45.9 | Very low | 148 Ų | 148 | 154 Ų | 154 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -67.4 | 127.1 | 159.7 | -97.5 | -43.3 | 0 | 0 | 0 | 108.9 | | |
| 425 | Q | 45.3 | Very low | 46.7 | Very low | 164 Ų | 164 | 155.5 Ų | 155.5 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | | | trans | -150.8 | 116 | 149.7 | -111.7 | 170.8 | 65.3 | 0 | 0 | 110.7 | | |
| 426 | Q | 44 | Very low | 47.5 | Very low | 187 Ų | 187 | 153.6 Ų | 153.6 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -62.8 | 127.4 | 171.3 | -68.8 | 170.9 | -12 | 0 | 0 | 110.1 | | |
| 427 | I | 46.2 | Very low | 48.3 | Very low | 143 Ų | 143 | 156.8 Ų | 156.8 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | trans | -132.8 | 102.1 | 151.8 | -60 | -177.9 | 0 | 0 | 0 | 108 | Y429 | I427-Y429 HydrophobicContact CG2-CD2 3.7Å; I427-Y429 HydrophobicContact CG2-CE2 4.22Å |
| 428 | K | 49.2 | Very low | 49.1 | Very low | 190 Ų | 190 | 157.3 Ų | 157.3 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | | | trans | -69.4 | 116.4 | 159.4 | -77.7 | 171.6 | 173.3 | 173.2 | 0 | 107.6 | | |
| 429 | Y | 49.5 | Very low | 49.6 | Very low | 220 Ų | 220 | 158.1 Ų | 158.1 | 86% | 0.863 | 80% | 0.796 | S | S | * | * | | | trans | -156.1 | 136.9 | 148.7 | -80.4 | -63.9 | 0 | 0 | 0 | 112.3 | I427 | I427-Y429 HydrophobicContact CG2-CD2 3.7Å; I427-Y429 HydrophobicContact CG2-CE2 4.22Å |
| 430 | S | 44.6 | Very low | 50.3 | Low | 98 Ų | 98 | 160.7 Ų | 160.7 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | | | trans | 72.4 | 87 | 149.2 | -164 | 0 | 0 | 0 | 0 | 119.3 | | |
| 431 | K | 49.7 | Very low | 51.2 | Low | 207 Ų | 207 | 164.4 Ų | 164.4 | 90% | 0.9 | 80% | 0.803 | S | S | * | * | | | trans | -80.1 | 104.7 | 143 | -79.8 | 176.6 | 175.5 | 176.5 | 0 | 108 | | |
| 432 | Q | 55.5 | Low | 51.9 | Low | 158 Ų | 158 | 168.3 Ų | 168.3 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | | | trans | -168 | 149.1 | 158.1 | -106.8 | 161.8 | 14.9 | 0 | 0 | 107.3 | | |
| 433 | F | 47.4 | Very low | 52.5 | Low | 189 Ų | 189 | 166.5 Ų | 166.5 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | | | trans | 88.3 | 62.1 | -176.2 | -51.9 | -75.7 | 0 | 0 | 0 | 116.9 | | |
| 434 | N | 51.6 | Low | 53.5 | Low | 170 Ų | 170 | 164.9 Ų | 164.9 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | | | trans | -124 | 95.5 | 140.1 | -91.9 | -26.5 | 0 | 0 | 0 | 107.5 | | |
| 435 | K | 60.9 | Low | 54.2 | Low | 191 Ų | 191 | 165.7 Ų | 165.7 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | | | trans | -124.6 | 126.1 | 162.9 | -78.2 | -173.8 | 179.4 | -179.2 | 0 | 107.8 | I437 | K435-I437 PolarHBondContact O-N 3.33Š|
| 436 | P | 61 | Low | 54.4 | Low | 116 Ų | 116 | 165.8 Ų | 165.8 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | | | trans | -67.3 | 131 | 177 | 26.8 | -31.9 | 0 | 0 | 0 | 110.1 | I438 | P436-I438 PolarHBondContact O-N 3.48Š|
| 437 | I | 61.4 | Low | 54.9 | Low | 156 Ų | 156 | 169 Ų | 169 | 80% | 0.8 | 82% | 0.822 | S | S | * | * | | | trans | -73.6 | 111.9 | 171.4 | -64.5 | 171.3 | 0 | 0 | 0 | 107.5 | K435 I439 | K435-I437 PolarHBondContact O-N 3.33Å; I437-I439 HydrophobicContact CG2-CG1 4.14Å |
| 438 | I | 63.1 | Low | 55 | Low | 148 Ų | 148 | 167.2 Ų | 167.2 | 76% | 0.759 | 82% | 0.822 | S | S | * | * | | | trans | -84.8 | 107.8 | 169.9 | -61.7 | 173.8 | 0 | 0 | 0 | 107.2 | P436 R440 | P436-I438 PolarHBondContact O-N 3.48Å; I438-R440 PolarHBondContact O-N 2.87Å |
| 439 | I | 59.2 | Low | 54.7 | Low | 145 Ų | 145 | 163.5 Ų | 163.5 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | | | trans | -79.6 | 105.9 | 171 | -59.5 | 176.3 | 0 | 0 | 0 | 107.6 | I437 Q441 | I437-I439 HydrophobicContact CG2-CG1 4.14Å; I439-Q441 PolarHBondContact O-N 3.06Å |
| 440 | R | 56.9 | Low | 54.7 | Low | 228 Ų | 228 | 158.7 Ų | 158.7 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | | | trans | -74.4 | 111.8 | 165.6 | -97.4 | -177.1 | 173.3 | -170.6 | -2.1 | 108.6 | I438 Q442 | I438-R440 PolarHBondContact O-N 2.87Å; R440-Q442 PolarHBondContact O-N 2.85Å |
| 441 | Q | 58.2 | Low | 54.7 | Low | 189 Ų | 189 | 159.9 Ų | 159.9 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | | | trans | -67.5 | 123.6 | 162.1 | -72.6 | -179.1 | -4.8 | 0 | 0 | 108.9 | I439 | I439-Q441 PolarHBondContact O-N 3.06Š|
| 442 | Q | 60.9 | Low | 54.6 | Low | 189 Ų | 189 | 155.7 Ų | 155.7 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | | | trans | -91.7 | 115.3 | 167.9 | -69 | -175.9 | -4.6 | 0 | 0 | 108.2 | R440 | R440-Q442 PolarHBondContact O-N 2.85Š|
| 443 | S | 55.4 | Low | 54.3 | Low | 108 Ų | 108 | 153.1 Ų | 153.1 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 148.6 | 165.8 | -79.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 444 | P | 59.8 | Low | 54.3 | Low | 119 Ų | 119 | 149.3 Ų | 149.3 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 141.2 | -172.9 | 31.2 | -33.4 | 0 | 0 | 0 | 112.2 | | |
| 445 | N | 59.4 | Low | 54.2 | Low | 165 Ų | 165 | 146 Ų | 146 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70 | 124.5 | 174.8 | -80.6 | -28.8 | 0 | 0 | 0 | 111.5 | | |
| 446 | N | 49.3 | Very low | 53.7 | Low | 165 Ų | 165 | 142.5 Ų | 142.5 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 128.2 | 162.6 | -71.5 | -34.1 | 0 | 0 | 0 | 110 | | |
| 447 | R | 53.1 | Low | 52.8 | Low | 255 Ų | 255 | 140.4 Ų | 140.4 | 96% | 0.962 | 81% | 0.809 | S | S | * | * | | | trans | -120.5 | 113.3 | 163.5 | -124.1 | -178.9 | -176 | -167.6 | 0.4 | 108.4 | | |
| 448 | S | 50.2 | Low | 52.3 | Low | 105 Ų | 105 | 137.1 Ų | 137.1 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | | | trans | -83.3 | 137.6 | 179.6 | 41 | 0 | 0 | 0 | 0 | 112 | | |
| 449 | S | 42.4 | Very low | 51.8 | Low | 112 Ų | 112 | 138.3 Ų | 138.3 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | 53.8 | 114.6 | 139.6 | 62.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 450 | S | 48.3 | Very low | 51.3 | Low | 119 Ų | 119 | 137.9 Ų | 137.9 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | | -158.7 | 118.6 | 124.4 | 54.2 | 0 | 0 | 0 | 0 | 110 | | |
| 451 | S | 45.4 | Very low | 51.1 | Low | 123 Ų | 123 | 132.8 Ų | 132.8 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -65.1 | 138.2 | 170.8 | 46.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 452 | S | 48.5 | Very low | 50.9 | Low | 119 Ų | 119 | 129.4 Ų | 129.4 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | -157.5 | 118.5 | 145.3 | 52.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 453 | S | 47.8 | Very low | 50.7 | Low | 105 Ų | 105 | 126.2 Ų | 126.2 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | trans | -71.1 | 171.1 | 178.3 | 46.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 454 | S | 47.7 | Very low | 51 | Low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | trans | 68 | 139.1 | 158.3 | 46.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 455 | S | 48.8 | Very low | 50.6 | Low | 100 Ų | 100 | 132 Ų | 132 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | | | cis | -174.1 | 144.6 | 5.5 | 43.4 | 0 | 0 | 0 | 0 | 107 | | |
| 456 | S | 50.5 | Low | 50.4 | Low | 117 Ų | 117 | 128.8 Ų | 128.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | 38.6 | 132.8 | 142.8 | 62.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 457 | G | 43.4 | Very low | 50.8 | Low | 72 Ų | 72 | 128.3 Ų | 128.3 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | | 121.7 | 81.3 | 128.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 458 | S | 50.4 | Low | 51 | Low | 87 Ų | 87 | 129.5 Ų | 129.5 | 61% | 0.608 | 80% | 0.799 | S | S | * | * | | | | 50.8 | 141.3 | 119.6 | -145.4 | 0 | 0 | 0 | 0 | 122.8 | | |
| 459 | F | 52.6 | Low | 51 | Low | 173 Ų | 173 | 130.7 Ų | 130.7 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | | | trans | 90.5 | 104.3 | 151.5 | -58.9 | -61.3 | 0 | 0 | 0 | 119.4 | | |
| 460 | N | 49.3 | Very low | 51.5 | Low | 137 Ų | 137 | 131.7 Ų | 131.7 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | | | | 70.3 | 139.9 | 121.3 | -65.7 | -12.5 | 0 | 0 | 0 | 121 | | |
| 461 | S | 51.2 | Low | 51.7 | Low | 120 Ų | 120 | 132.4 Ų | 132.4 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | | | trans | 99.3 | 96.7 | 148.9 | -51 | 0 | 0 | 0 | 0 | 117.1 | | |
| 462 | S | 54.5 | Low | 52 | Low | 118 Ų | 118 | 132.9 Ų | 132.9 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | -94.7 | 174 | 146 | -65.3 | 0 | 0 | 0 | 0 | 109 | | |
| 463 | P | 57.1 | Low | 52.2 | Low | 122 Ų | 122 | 133.8 Ų | 133.8 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | | | | -132.4 | 152.1 | -61.4 | 36 | -20.4 | 0 | 0 | 0 | 111.4 | | |
| 464 | E | 60.9 | Low | 52.5 | Low | 187 Ų | 187 | 135.7 Ų | 135.7 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | -108.2 | 123.2 | 166.5 | -91.5 | -167.3 | 153.3 | 0 | 0 | 112 | | |
| 465 | L | 51.8 | Low | 52.9 | Low | 162 Ų | 162 | 137.6 Ų | 137.6 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | | | trans | 8.9 | 131.9 | 136.5 | -70 | 145.7 | 0 | 0 | 0 | 118.2 | | |
| 466 | S | 54.8 | Low | 53.2 | Low | 98 Ų | 98 | 140.5 Ų | 140.5 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | | | | 159.9 | 117 | 108.7 | -170.2 | 0 | 0 | 0 | 0 | 113 | | |
| 467 | I | 57.5 | Low | 53.4 | Low | 155 Ų | 155 | 142.5 Ų | 142.5 | 80% | 0.795 | 81% | 0.809 | S | S | * | * | | | trans | 54.5 | 112.5 | 134.3 | -51.9 | 170.5 | 0 | 0 | 0 | 119.2 | | |
| 468 | K | 57.6 | Low | 54.3 | Low | 279 Ų | 279 | 148.9 Ų | 148.9 | 100% | 1.213 | 82% | 0.816 | S | S | * | * | | | | -146.8 | 0 | 120.9 | -110.2 | 178.9 | -174.9 | 178.5 | 0 | 110.4 | | |