| 1 | M | 29.9 | Very low | 33.6 | Very low | 245 Ų | 245 | 164.5 Ų | 164.5 | 100% | 1.207 | 86% | 0.858 | S | S | * | * | | | | 0 | 158 | 0 | -76.4 | 169 | 64.1 | 0 | 0 | 108.2 | | |
| 2 | N | 32.9 | Very low | 33.6 | Very low | 139 Ų | 139 | 163.8 Ų | 163.8 | 74% | 0.743 | 86% | 0.855 | S | S | * | * | | | trans | -73.7 | 158 | 175.9 | -163.3 | 17.8 | 0 | 0 | 0 | 111.3 | | |
| 3 | I | 35.8 | Very low | 33.3 | Very low | 157 Ų | 157 | 166.9 Ų | 166.9 | 81% | 0.805 | 86% | 0.857 | S | S | * | * | | | trans | -174.2 | 99.6 | 139.5 | -82.1 | 138.4 | 0 | 0 | 0 | 105.6 | | |
| 4 | D | 39.3 | Very low | 33 | Very low | 141 Ų | 141 | 163.5 Ų | 163.5 | 75% | 0.754 | 85% | 0.854 | S | S | * | * | | | | -99.7 | -178.3 | 128.8 | -91.6 | -52.9 | 0 | 0 | 0 | 107.2 | | |
| 5 | D | 40.4 | Very low | 32.7 | Very low | 154 Ų | 154 | 159.7 Ų | 159.7 | 82% | 0.824 | 85% | 0.847 | S | S | * | * | | | trans | 78.4 | 100.1 | -174.1 | -65.6 | -27.1 | 0 | 0 | 0 | 117.4 | | |
| 6 | K | 35.1 | Very low | 32.4 | Very low | 196 Ų | 196 | 154 Ų | 154 | 85% | 0.852 | 84% | 0.837 | S | S | * | * | | | | -165.3 | 151.8 | 108.3 | -114.6 | 174.6 | -177.7 | 175 | 0 | 115.9 | | |
| 7 | L | 35.9 | Very low | 32.2 | Very low | 156 Ų | 156 | 152.4 Ų | 152.4 | 82% | 0.817 | 83% | 0.834 | S | S | * | * | | | trans | 74.1 | 84 | 157.9 | -67.8 | 159.9 | 0 | 0 | 0 | 117.8 | | |
| 8 | E | 32 | Very low | 32.1 | Very low | 195 Ų | 195 | 150.6 Ų | 150.6 | 91% | 0.911 | 83% | 0.828 | S | S | * | * | | | trans | -48.8 | 144.3 | 131.3 | -59.5 | 178.1 | 112.4 | 0 | 0 | 110.5 | | |
| 9 | G | 29.2 | Very low | 32 | Very low | 70 Ų | 70 | 149.4 Ų | 149.4 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | | | trans | -167.2 | 103.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 10 | M | 30.8 | Very low | 31.7 | Very low | 197 Ų | 197 | 148.7 Ų | 148.7 | 97% | 0.97 | 81% | 0.81 | S | S | * | * | | | trans | 73.4 | 123.8 | 158 | -61.6 | 179.5 | 59.1 | 0 | 0 | 119.8 | | |
| 11 | L | 28.4 | Very low | 31.8 | Very low | 159 Ų | 159 | 150.8 Ų | 150.8 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | -94.5 | 163.2 | 173.8 | -75.3 | 157.5 | 0 | 0 | 0 | 112.5 | | |
| 12 | L | 34 | Very low | 31.8 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | 60.6 | 106.4 | 148.2 | -98 | 72.7 | 0 | 0 | 0 | 120.8 | | |
| 13 | K | 29.1 | Very low | 31.6 | Very low | 204 Ų | 204 | 142.4 Ų | 142.4 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | | | | -169 | 146.9 | 128 | -110 | 161.8 | 176.9 | 170.5 | 0 | 109.7 | | |
| 14 | C | 28.9 | Very low | 31.5 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | cis | -147.9 | 172.2 | -6.2 | -152.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 15 | S | 29.4 | Very low | 30.9 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -121.9 | 154.3 | -170.2 | 47.9 | 0 | 0 | 0 | 0 | 115 | | |
| 16 | G | 26.6 | Very low | 30.4 | Very low | 68 Ų | 68 | 137 Ų | 137 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | | | trans | -132.1 | 118.5 | 154.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 17 | V | 29.9 | Very low | 30 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | | 48 | 125.1 | 54.2 | -97.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 18 | V | 31 | Very low | 29.6 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | cis | -140.5 | 154.8 | 22.6 | -75.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 19 | D | 28.6 | Very low | 29.4 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 68% | 0.679 | 80% | 0.797 | S | S | * | * | | | trans | 43.5 | 156.6 | 143.9 | -68.6 | -66.9 | 0 | 0 | 0 | 123.8 | | |
| 20 | E | 27.6 | Very low | 29.5 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 63% | 0.631 | 80% | 0.8 | S | S | * | * | | | cis | -148.4 | 151 | 4.4 | -142 | 173 | 133 | 0 | 0 | 114.6 | | |
| 21 | R | 33 | Very low | 29.4 | Very low | 193 Ų | 193 | 125.2 Ų | 125.2 | 73% | 0.728 | 79% | 0.786 | S | S | * | * | | | trans | 11.7 | 152.4 | 151.5 | -68.9 | -175.8 | -98.3 | -105.8 | -5.6 | 122 | | |
| 22 | V | 30 | Very low | 29.5 | Very low | 135 Ų | 135 | 125.9 Ų | 125.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | cis | -166.5 | 152.3 | -4.4 | 124.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 23 | G | 28.2 | Very low | 29.3 | Very low | 74 Ų | 74 | 124.5 Ų | 124.5 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | | | trans | 173.2 | 89.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 24 | I | 33.8 | Very low | 29.5 | Very low | 180 Ų | 180 | 123.4 Ų | 123.4 | 92% | 0.923 | 79% | 0.788 | S | S | * | * | | | trans | -59.4 | 145 | 178.2 | -56.9 | 162.1 | 0 | 0 | 0 | 112 | | |
| 25 | G | 27.4 | Very low | 29.3 | Very low | 70 Ų | 70 | 121.2 Ų | 121.2 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | | | cis | 160.8 | 163.7 | -4.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 26 | G | 29.5 | Very low | 29.4 | Very low | 89 Ų | 89 | 125.4 Ų | 125.4 | 92% | 0.918 | 79% | 0.793 | S | S | * | * | | | trans | 80 | 144.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 27 | G | 27.2 | Very low | 29.5 | Very low | 85 Ų | 85 | 133.6 Ų | 133.6 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | | | cis | 165.9 | 127.9 | -8.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 28 | G | 27.6 | Very low | 29.4 | Very low | 86 Ų | 86 | 131.3 Ų | 131.3 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | | | trans | 139.3 | 94.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 29 | L | 26.7 | Very low | 29.4 | Very low | 156 Ų | 156 | 134 Ų | 134 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | | | trans | -100.2 | 132.7 | 171.1 | -180 | 76.4 | 0 | 0 | 0 | 109.5 | V31 | L29-V31 HydrophobicContact CD2-CG2 4.43Å; L29-V31 HydrophobicContact CG-CG2 4.45Å |
| 30 | V | 31.1 | Very low | 29.3 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 78% | 0.782 | 82% | 0.819 | S | S | * | * | | | trans | -133.5 | 113.3 | 163 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | M32 | V30-M32 HydrophobicContact CG1-CG 4.25Š|
| 31 | V | 29.9 | Very low | 29.4 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 67% | 0.667 | 83% | 0.832 | S | S | * | * | | | trans | -87.8 | 136.8 | 167.4 | 173.9 | 0 | 0 | 0 | 0 | 108.2 | L29 | L29-V31 HydrophobicContact CD2-CG2 4.43Å; L29-V31 HydrophobicContact CG-CG2 4.45Å |
| 32 | M | 29.8 | Very low | 29.2 | Very low | 172 Ų | 172 | 134.4 Ų | 134.4 | 85% | 0.847 | 84% | 0.836 | S | S | * | * | | | trans | -125.1 | 139.8 | 163.8 | -66.2 | -150.6 | 78.7 | 0 | 0 | 110.3 | V30 | V30-M32 HydrophobicContact CG1-CG 4.25Š|
| 33 | T | 31 | Very low | 29.4 | Very low | 129 Ų | 129 | 133 Ų | 133 | 79% | 0.791 | 83% | 0.83 | S | S | * | * | | | trans | -89.7 | 159.8 | -169.5 | 42.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 34 | L | 31.7 | Very low | 29.5 | Very low | 180 Ų | 180 | 136.4 Ų | 136.4 | 94% | 0.942 | 83% | 0.83 | S | S | * | * | | | trans | -63.7 | 136.4 | 168.9 | -77.4 | 149.9 | 0 | 0 | 0 | 110.4 | | |
| 35 | G | 25.8 | Very low | 29.4 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | | | trans | -130.6 | 111.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 36 | E | 30 | Very low | 29.6 | Very low | 195 Ų | 195 | 135.1 Ų | 135.1 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | | | trans | -73.3 | 145.9 | -174.6 | -57.9 | -179.1 | 120.9 | 0 | 0 | 112.6 | | |
| 37 | R | 29.8 | Very low | 29.8 | Very low | 239 Ų | 239 | 137.7 Ų | 137.7 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | | | trans | -141.8 | 103.9 | 166.1 | -73.8 | -170.5 | 173.9 | 158.9 | 0.2 | 110.7 | | |
| 38 | G | 28.3 | Very low | 30.1 | Very low | 80 Ų | 80 | 137 Ų | 137 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -67 | 137.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 39 | L | 29.9 | Very low | 30.7 | Very low | 175 Ų | 175 | 139.8 Ų | 139.8 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | | | trans | -135.1 | 93.8 | 169.8 | -74.4 | 177.8 | 0 | 0 | 0 | 109.5 | | |
| 40 | A | 26.1 | Very low | 31.6 | Very low | 94 Ų | 94 | 134.5 Ų | 134.5 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | | | trans | -121 | 75.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 41 | H | 31.6 | Very low | 32.1 | Very low | 195 Ų | 195 | 135.7 Ų | 135.7 | 90% | 0.903 | 76% | 0.756 | S | S | * | * | | | trans | -159.6 | 83.4 | 161.3 | -95.5 | -46 | 0 | 0 | 0 | 112.5 | | |
| 42 | H | 27.9 | Very low | 32.9 | Very low | 176 Ų | 176 | 133.5 Ų | 133.5 | 82% | 0.815 | 74% | 0.741 | S | S | * | * | | | trans | -149.4 | 140.9 | 149.7 | -137.5 | -96.1 | 0 | 0 | 0 | 109.3 | L44 | H42-L44 PolarHBondContact O-N 3.24Š|
| 43 | P | 33.3 | Very low | 34 | Very low | 105 Ų | 105 | 134 Ų | 134 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | | | trans | -66 | 130.9 | 174 | -17.6 | 31.4 | 0 | 0 | 0 | 109.7 | L45 | P43-L45 PolarHBondContact O-N 3.14Š|
| 44 | L | 32 | Very low | 34.8 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | | | trans | -65.8 | 104.7 | 165.8 | -64.5 | 174.5 | 0 | 0 | 0 | 107.9 | H42 | H42-L44 PolarHBondContact O-N 3.24Š|
| 45 | L | 31.2 | Very low | 35.3 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | | | trans | -60.6 | 143.9 | 145.8 | -64 | 172.7 | 0 | 0 | 0 | 106.3 | P43 D47 | P43-L45 PolarHBondContact O-N 3.14Å; L45-D47 PolarHBondContact O-N 3.05Å |
| 46 | A | 31.6 | Very low | 36 | Very low | 75 Ų | 75 | 136.4 Ų | 136.4 | 62% | 0.62 | 73% | 0.727 | S | S | * | * | | | trans | -65.9 | 130.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 106 | D48 | A46-D48 VanDerWaalsContact C-N 3.28Å; A46-D48 PolarHBondContact O-N 3.34Å |
| 47 | D | 32.4 | Very low | 36.5 | Very low | 143 Ų | 143 | 133.6 Ų | 133.6 | 77% | 0.765 | 72% | 0.718 | S | S | * | * | | | trans | -65.9 | 98.9 | 163.4 | -64 | -66.3 | 0 | 0 | 0 | 106.2 | L45 D49 | L45-D47 PolarHBondContact O-N 3.05Å; D47-D49 VanDerWaalsContact C-N 3.31Å; D47-D49 PolarHBondContact O-N 3.03Å; D47-D49 VanDerWaalsContact O-N 3.13Å |
| 48 | D | 34.6 | Very low | 37 | Very low | 71 Ų | 71 | 130 Ų | 130 | 38% | 0.38 | 72% | 0.716 | S | S | . | * | | | trans | -65.6 | 101.1 | 157 | -90.4 | -29.6 | 0 | 0 | 0 | 104.9 | A46 D50 R210 | A46-D48 VanDerWaalsContact C-N 3.28Å; A46-D48 PolarHBondContact O-N 3.34Å; D48-D50 PolarHBondContact O-N 3.19Å; D48-R210 IonicContact OD1-CZ 2.82Å; D48-R210 IonicContact OD1-NH1 2.8Å; D48-R210 IonicContact OD1-NH2 3.55Å; D48-R210 PolarHBondContact OD1-NH2 3.17Å; D48-R210 IonicContact OD2-CZ 3.66Å; D48-R210 IonicContact OD2-NH1 2.92Å; D48-R210 PolarHBondContact OD2-NH1 2.8Å; D48-R210 IonicContact OD2-NH2 3.5Å; D48-R210 PolarHBondContact OD2-NH2 2.36Å |
| 49 | D | 39.3 | Very low | 37.4 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | | | trans | -66.4 | 66.8 | 166.4 | -65.4 | -51.1 | 0 | 0 | 0 | 109 | D47 D51 | D47-D49 VanDerWaalsContact C-N 3.31Å; D47-D49 PolarHBondContact O-N 3.03Å; D47-D49 VanDerWaalsContact O-N 3.13Å; D49-D51 PolarHBondContact O-N 3.48Å |
| 50 | D | 46.8 | Very low | 37.4 | Very low | 46 Ų | 46 | 127.6 Ų | 127.6 | 25% | 0.246 | 71% | 0.706 | C | S | . | * | | | trans | -77.1 | 105.5 | 167.4 | -88 | 4 | 0 | 0 | 0 | 106.8 | D48 D52 R210 Q232 Y234 H235 | D48-D50 PolarHBondContact O-N 3.19Å; D50-D52 VanDerWaalsContact C-N 3.31Å; D50-D52 PolarHBondContact O-N 3.13Å; D50-R210 IonicContact OD1-NH2 3.07Å; D50-Q232 PolarHBondContact OD2-NE2 3.49Å; D50-Y234 PolarHBondContact OD2-OH 3.25Å; D50-H235 VanDerWaalsContact CG-NE2 3.34Å; D50-H235 IonicContact OD1-NE2 3.08Å; D50-H235 IonicContact OD2-CE1 3.78Å; D50-H235 PolarHBondContact OD2-CE1 3.27Å; D50-H235 IonicContact OD2-NE2 2.84Å; D50-H235 PolarHBondContact OD2-NE2 3.37Å |
| 51 | D | 42 | Very low | 37.8 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | | | trans | -63.6 | 83.3 | 177.4 | -70.2 | -58.7 | 0 | 0 | 0 | 112 | D49 E53 | D49-D51 PolarHBondContact O-N 3.48Å; D51-E53 PolarHBondContact O-N 3.48Å |
| 52 | D | 46.4 | Very low | 37.7 | Very low | 65 Ų | 65 | 125.8 Ų | 125.8 | 35% | 0.348 | 70% | 0.703 | S | S | . | * | | | trans | -73.8 | 46.6 | 179.6 | -121 | 25.7 | 0 | 0 | 0 | 111.7 | D50 R238 R260 | D50-D52 VanDerWaalsContact C-N 3.31Å; D50-D52 PolarHBondContact O-N 3.13Å; D52-R238 IonicContact OD1-CZ 3.87Å; D52-R238 IonicContact OD1-NH1 3.9Å; D52-R238 PolarHBondContact OD1-NH1 3.46Å; D52-R238 IonicContact OD1-NH2 3.51Å; D52-R238 PolarHBondContact OD1-NH2 3.26Å; D52-R238 IonicContact OD2-CZ 2.76Å; D52-R238 IonicContact OD2-NH1 3.24Å; D52-R238 PolarHBondContact OD2-NH1 2.97Å; D52-R238 IonicContact OD2-NH2 4Å; D52-R260 IonicContact OD2-CZ 2.76Å; D52-R260 IonicContact OD2-NH1 3.69Å; D52-R260 PolarHBondContact OD2-NH1 3.43Å; D52-R260 VanDerWaalsContact OD2-NH1 3.15Å; D52-R260 IonicContact OD2-NH2 2.76Å; D52-R260 PolarHBondContact OD2-NH2 3.24Å |
| 53 | E | 51.3 | Low | 37.8 | Very low | 182 Ų | 182 | 123.5 Ų | 123.5 | 85% | 0.85 | 70% | 0.702 | S | S | * | * | | | trans | -99.6 | 79 | 171.8 | -75.8 | -151.9 | 161.8 | 0 | 0 | 112.6 | D51 | D51-E53 PolarHBondContact O-N 3.48Š|
| 54 | E | 48.5 | Very low | 37.6 | Very low | 183 Ų | 183 | 124.7 Ų | 124.7 | 86% | 0.855 | 71% | 0.707 | S | S | * | * | | | trans | -178.1 | 103.9 | 146 | -105.4 | 173.4 | -146.2 | 0 | 0 | 108.1 | | |
| 55 | D | 42.7 | Very low | 37.6 | Very low | 97 Ų | 97 | 122.6 Ų | 122.6 | 52% | 0.519 | 70% | 0.704 | S | S | . | * | | | trans | -145.5 | 43.8 | -175.6 | -114.1 | -0.5 | 0 | 0 | 0 | 108.9 | D57 R260 R263 | D55-D57 PolarHBondContact O-N 3.35Å; D55-D57 VanDerWaalsContact O-N 3.07Å; D55-R260 IonicContact OD2-NH1 3.69Å; D55-R263 IonicContact OD2-CZ 3.45Å; D55-R263 IonicContact OD2-NH2 2.74Å; D55-R263 PolarHBondContact OD2-NH2 2.98Å |
| 56 | D | 40.8 | Very low | 37.5 | Very low | 154 Ų | 154 | 124.2 Ų | 124.2 | 82% | 0.824 | 71% | 0.707 | S | S | * | * | | | trans | -80.5 | 74.4 | -176.9 | -99.5 | -34.3 | 0 | 0 | 0 | 113.1 | L58 | D56-L58 VanDerWaalsContact C-N 3.3Å; D56-L58 PolarHBondContact O-N 2.93Å |
| 57 | D | 40.8 | Very low | 37.3 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 72% | 0.722 | 71% | 0.709 | S | S | * | * | | | trans | -73.1 | 71.7 | 177.6 | -100.3 | -26.2 | 0 | 0 | 0 | 113.1 | D55 T59 | D55-D57 PolarHBondContact O-N 3.35Å; D55-D57 VanDerWaalsContact O-N 3.07Å; D57-T59 PolarHBondContact O-N 3.09Å |
| 58 | L | 38.7 | Very low | 37.3 | Very low | 164 Ų | 164 | 127.3 Ų | 127.3 | 86% | 0.859 | 71% | 0.712 | S | S | * | * | | | trans | -72.6 | 85.1 | 169.3 | -74.3 | 179.6 | 0 | 0 | 0 | 111.8 | D56 | D56-L58 VanDerWaalsContact C-N 3.3Å; D56-L58 PolarHBondContact O-N 2.93Å |
| 59 | T | 37.3 | Very low | 36.9 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | | | trans | -101.5 | 99.1 | 171.8 | 42.9 | 0 | 0 | 0 | 0 | 111.4 | D57 | D57-T59 PolarHBondContact O-N 3.09Š|
| 60 | G | 30.3 | Very low | 36.6 | Very low | 70 Ų | 70 | 128.9 Ų | 128.9 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | | | trans | -175 | 126.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 61 | V | 33.4 | Very low | 35.8 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | | | trans | 87.2 | 130.2 | 165.3 | -171.4 | 0 | 0 | 0 | 0 | 117.4 | V63 | V61-V63 HydrophobicContact CG1-CG2 4.45Š|
| 62 | S | 31.4 | Very low | 35.2 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -120.6 | 133 | 175.9 | 57.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 63 | V | 29.8 | Very low | 34.4 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | -145.6 | 109.1 | 161.1 | -160.5 | 0 | 0 | 0 | 0 | 104.4 | V61 | V61-V63 HydrophobicContact CG1-CG2 4.45Š|
| 64 | V | 27.9 | Very low | 33.4 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | | | | 61.8 | 122.3 | 75.2 | -176.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 65 | S | 33.4 | Very low | 32.4 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | -81.1 | 159.2 | -170.5 | -38.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 66 | H | 27.9 | Very low | 31.8 | Very low | 182 Ų | 182 | 135.8 Ų | 135.8 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | trans | -160.6 | 93.1 | 145.7 | -116.4 | -67.6 | 0 | 0 | 0 | 114.5 | | |
| 67 | D | 26.9 | Very low | 31.2 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 66% | 0.658 | 78% | 0.775 | S | S | * | * | | | | 30 | 131.9 | 123.6 | -81.6 | -1.1 | 0 | 0 | 0 | 124.1 | | |
| 68 | L | 32.2 | Very low | 30.7 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | 72.9 | 153.2 | 147.2 | -54.1 | 164.7 | 0 | 0 | 0 | 116.6 | | |
| 69 | I | 26.8 | Very low | 30.3 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | | | cis | -142.4 | 162.7 | 31.8 | -76.2 | 173.7 | 0 | 0 | 0 | 111 | | |
| 70 | A | 34.2 | Very low | 29.8 | Very low | 89 Ų | 89 | 135.4 Ų | 135.4 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | | | trans | -103 | 170.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 71 | T | 29.5 | Very low | 29.8 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | | | trans | -148.2 | 124.2 | 169 | -18.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 72 | D | 29.1 | Very low | 29.7 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | trans | -58 | 166.5 | 158.1 | -67.3 | -44.3 | 0 | 0 | 0 | 112 | | |
| 73 | E | 30.4 | Very low | 29.5 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | cis | -173.3 | -178.2 | -12.8 | -179.7 | -171 | -139.9 | 0 | 0 | 106.4 | | |
| 74 | L | 30.6 | Very low | 29.4 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | | | trans | 75.1 | 115.8 | 160.2 | -49.4 | 173.9 | 0 | 0 | 0 | 119.4 | | |
| 75 | M | 27.2 | Very low | 29.5 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 85% | 0.852 | 75% | 0.747 | S | S | * | * | | | | 170 | 110.7 | 101 | -81.5 | -140.8 | -65 | 0 | 0 | 112.1 | | |
| 76 | V | 29.2 | Very low | 29.3 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | | | | 77 | 134.8 | 96.2 | -148.5 | 0 | 0 | 0 | 0 | 116.8 | | |
| 77 | H | 28.6 | Very low | 29.2 | Very low | 156 Ų | 156 | 145.3 Ų | 145.3 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | | | trans | 68.4 | 130.5 | 174.8 | -66.2 | -61.7 | 0 | 0 | 0 | 118.5 | | |
| 78 | E | 28.9 | Very low | 29.3 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | | | cis | 83.6 | 104.2 | 20 | -165.9 | -170.7 | -146.2 | 0 | 0 | 116.1 | | |
| 79 | E | 30.6 | Very low | 29.1 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | | | trans | -168.9 | 127.6 | 130.9 | -88 | -137.1 | 103.1 | 0 | 0 | 105.7 | | |
| 80 | T | 27.7 | Very low | 29.1 | Very low | 97 Ų | 97 | 143.2 Ų | 143.2 | 60% | 0.595 | 75% | 0.746 | S | S | * | * | | | | 64.7 | 142 | 66.3 | 81.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 81 | V | 29.5 | Very low | 28.8 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 72% | 0.715 | 74% | 0.739 | S | S | * | * | | | cis | -161.3 | 178.8 | -5.6 | 100.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 82 | K | 32.2 | Very low | 28.7 | Very low | 179 Ų | 179 | 147.8 Ų | 147.8 | 78% | 0.778 | 73% | 0.734 | S | S | * | * | | | trans | 95.2 | 115.8 | 174.4 | -58.6 | -178.6 | -172.9 | 166.9 | 0 | 114.6 | | |
| 83 | N | 26.7 | Very low | 28.6 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | | | | 83.7 | 144.2 | 58.6 | -74.1 | 43 | 0 | 0 | 0 | 111.3 | | |
| 84 | D | 27.3 | Very low | 28.3 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 66% | 0.658 | 73% | 0.73 | S | S | * | * | | | cis | -146.8 | -172.8 | 13.2 | -131.3 | -47.7 | 0 | 0 | 0 | 113.9 | | |
| 85 | R | 31.4 | Very low | 28.2 | Very low | 192 Ų | 192 | 145.4 Ų | 145.4 | 73% | 0.725 | 73% | 0.732 | S | S | * | * | | | trans | -59.6 | 174.4 | 176.2 | -54.5 | 143.5 | 71.2 | 154.7 | 3 | 112.3 | | |
| 86 | E | 28.3 | Very low | 28.2 | Very low | 140 Ų | 140 | 146 Ų | 146 | 65% | 0.654 | 73% | 0.729 | S | S | * | * | | | cis | -157.4 | 175.5 | 20.3 | -154.8 | 137.4 | -131.3 | 0 | 0 | 114.2 | | |
| 87 | E | 27 | Very low | 28.7 | Very low | 185 Ų | 185 | 147.8 Ų | 147.8 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | | | trans | -67.5 | 177.4 | 175.6 | -45.7 | 172.8 | 141.8 | 0 | 0 | 113.5 | | |
| 88 | G | 28.2 | Very low | 28.9 | Very low | 70 Ų | 70 | 146.3 Ų | 146.3 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | | | trans | 154.2 | 80.2 | 153.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 89 | M | 27.7 | Very low | 29.3 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 84% | 0.842 | 74% | 0.737 | S | S | * | * | | | trans | 53.4 | 121.3 | 152.3 | -57.9 | -169.1 | -173.6 | 0 | 0 | 119.9 | | |
| 90 | M | 26.2 | Very low | 29.1 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | | | | 70.8 | 110.2 | 55.7 | -172.1 | -146.9 | -172.9 | 0 | 0 | 113.9 | | |
| 91 | Q | 29 | Very low | 29.4 | Very low | 122 Ų | 122 | 144 Ų | 144 | 57% | 0.57 | 74% | 0.744 | S | S | * | * | | | | 178.8 | 133.4 | 118.5 | -97 | 173.2 | 51.1 | 0 | 0 | 116.9 | | |
| 92 | R | 27.2 | Very low | 29.1 | Very low | 207 Ų | 207 | 143.5 Ų | 143.5 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | | | trans | 82.4 | 146.6 | 134.8 | -75 | 171 | 177.7 | 163.2 | -2.6 | 123 | | |
| 93 | L | 26.3 | Very low | 29.5 | Very low | 150 Ų | 150 | 141.5 Ų | 141.5 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | | | trans | 62.5 | 99 | 159.9 | -63.9 | 157.2 | 0 | 0 | 0 | 115.6 | | |
| 94 | A | 25.2 | Very low | 30.1 | Very low | 81 Ų | 81 | 138.4 Ų | 138.4 | 67% | 0.669 | 72% | 0.716 | S | S | * | * | | | cis | 69.8 | 114.3 | 46.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 95 | H | 27.8 | Very low | 30.7 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 75% | 0.745 | 71% | 0.714 | S | S | * | * | | | | -176.5 | 148.7 | 109.8 | -101.1 | -66.7 | 0 | 0 | 0 | 114.4 | | |
| 96 | K | 27.7 | Very low | 30.5 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | | | trans | 66.4 | 88.6 | 150.9 | -65.6 | 169.9 | -176.9 | -180 | 0 | 119.9 | | |
| 97 | L | 38.7 | Very low | 30.9 | Very low | 151 Ų | 151 | 133 Ų | 133 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | | | | -66.5 | 153.1 | 122.9 | -94.3 | 164 | 0 | 0 | 0 | 109.1 | | |
| 98 | P | 33 | Very low | 31.3 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 81% | 0.805 | 71% | 0.708 | S | S | * | * | | | | -145.7 | 163.7 | 88.4 | 39.3 | -23.3 | 0 | 0 | 0 | 116.1 | | |
| 99 | C | 37.4 | Very low | 31.6 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 68% | 0.676 | 71% | 0.705 | S | S | * | * | | | trans | -96 | 146.1 | 169.5 | -49.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 100 | T | 26.4 | Very low | 31.9 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 74% | 0.742 | 70% | 0.695 | S | S | * | * | | | trans | -146 | 108.2 | 147.1 | 46.1 | 0 | 0 | 0 | 0 | 106.6 | | |
| 101 | L | 33.3 | Very low | 32 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 82% | 0.817 | 70% | 0.699 | S | S | * | * | | | | 45.9 | 115.7 | 64.3 | -74.5 | 175.7 | 0 | 0 | 0 | 113.8 | | |
| 102 | H | 24.7 | Very low | 32 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 50% | 0.495 | 71% | 0.707 | S | S | . | * | | | trans | -151 | 136.3 | 139.7 | -157 | -89.9 | 0 | 0 | 0 | 114.2 | I768 | H102-I768 VanDerWaalsContact CE1-CB 3.42Å; H102-I768 WeakPolarHBondContact CE1-CB 3.49Å; H102-I768 VanDerWaalsContact NE2-CB 3.32Å; H102-I768 WeakPolarHBondContact NE2-CB 3.47Å; H102-I768 VanDerWaalsContact NE2-CG2 3.26Å; H102-I768 WeakPolarHBondContact NE2-CG2 3.43Å |
| 103 | M | 40.7 | Very low | 32.2 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | | | trans | -144.9 | 141.1 | 176 | -86.6 | -97.6 | 73.8 | 0 | 0 | 109.3 | | |
| 104 | P | 39.6 | Very low | 32.2 | Very low | 70 Ų | 70 | 131.5 Ų | 131.5 | 46% | 0.455 | 71% | 0.707 | S | S | . | * | | | | -138.7 | 143 | 123.4 | 34.5 | -19.7 | 0 | 0 | 0 | 111.2 | I768 | P104-I768 HydrophobicContact CB-CD1 3.95Å; P104-I768 HydrophobicContact CG-CD1 3.88Å; P104-I768 HydrophobicContact CG-CG1 4.27Å |
| 105 | V | 39.3 | Very low | 32.4 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 61% | 0.612 | 71% | 0.708 | S | S | * | * | | | cis | 76.2 | 103.1 | 37.3 | -176.1 | 0 | 0 | 0 | 0 | 114.7 | I107 | V105-I107 HydrophobicContact CG1-CD1 3.95Å; V105-I107 HydrophobicContact CG1-CG1 3.95Å |
| 106 | S | 27.1 | Very low | 32.3 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | | | trans | -148.2 | 124.1 | 134.3 | -75.8 | 0 | 0 | 0 | 0 | 106.7 | | |
| 107 | I | 37.1 | Very low | 33.6 | Very low | 128 Ų | 128 | 128 Ų | 128 | 66% | 0.656 | 71% | 0.705 | S | S | * | * | | | | 76 | 118.3 | 57.3 | -66.8 | 174.3 | 0 | 0 | 0 | 109.7 | V105 | V105-I107 HydrophobicContact CG1-CD1 3.95Å; V105-I107 HydrophobicContact CG1-CG1 3.95Å |
| 108 | K | 35.1 | Very low | 33.2 | Very low | 156 Ų | 156 | 128.2 Ų | 128.2 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | | | cis | -168.6 | 162.1 | 1.8 | -119.4 | -175.4 | -171.4 | -172.3 | 0 | 112.8 | | |
| 109 | Q | 33.5 | Very low | 33.1 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 66% | 0.664 | 70% | 0.703 | S | S | * | * | | | trans | 71.6 | 150.4 | 139.9 | -73.6 | -172 | -67.4 | 0 | 0 | 121.4 | | |
| 110 | E | 35.4 | Very low | 33 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 63% | 0.626 | 71% | 0.706 | S | S | * | * | | | cis | -146.8 | 170.1 | -18.3 | -79.1 | -119.9 | 151.8 | 0 | 0 | 106.9 | | |
| 111 | L | 27.8 | Very low | 33.1 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 84% | 0.838 | 71% | 0.707 | S | S | * | * | | | cis | -143.3 | 179.6 | 38.6 | -85.1 | 165 | 0 | 0 | 0 | 113.2 | | |
| 112 | K | 29.6 | Very low | 33.2 | Very low | 170 Ų | 170 | 130.7 Ų | 130.7 | 74% | 0.739 | 71% | 0.707 | S | S | * | * | | | trans | -157.7 | 165.4 | -152.1 | -150.6 | 177.7 | -171.4 | 175.8 | 0 | 111.9 | | |
| 113 | L | 30.4 | Very low | 33.5 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 81% | 0.806 | 72% | 0.722 | S | S | * | * | | | trans | 75 | 160.1 | 164.1 | -55.8 | 170.7 | 0 | 0 | 0 | 116.7 | | |
| 114 | S | 27.5 | Very low | 33 | Very low | 111 Ų | 111 | 135 Ų | 135 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | | | cis | -174.1 | -178.8 | -36 | 57.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 115 | S | 27.5 | Very low | 32.8 | Very low | 99 Ų | 99 | 142.7 Ų | 142.7 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | | | trans | -125.2 | 139.2 | -177.8 | 54.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 116 | D | 27.3 | Very low | 32.5 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | | | trans | 67.2 | 161.9 | 154.4 | -64.7 | -20.5 | 0 | 0 | 0 | 120 | | |
| 117 | P | 53.4 | Low | 32.8 | Very low | 104 Ų | 104 | 150.7 Ų | 150.7 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | | | cis | -134.9 | -170.1 | -15.8 | 24.7 | 0.1 | 0 | 0 | 0 | 115.4 | | |
| 118 | L | 30.5 | Very low | 32.8 | Very low | 155 Ų | 155 | 149.7 Ų | 149.7 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | | | trans | 84.3 | 154.2 | 160.9 | -47 | -175.9 | 0 | 0 | 0 | 117.1 | | |
| 119 | M | 32.7 | Very low | 32.5 | Very low | 151 Ų | 151 | 153.4 Ų | 153.4 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | | | cis | -162.2 | 167.1 | -13.5 | -115.7 | -63.7 | -133.8 | 0 | 0 | 114.4 | | |
| 120 | L | 35.3 | Very low | 32.3 | Very low | 139 Ų | 139 | 154.2 Ų | 154.2 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | | | trans | 42.3 | 117.5 | 154.4 | -88.3 | 167.1 | 0 | 0 | 0 | 123.7 | | |
| 121 | G | 27.4 | Very low | 32.2 | Very low | 74 Ų | 74 | 154.8 Ų | 154.8 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | | | trans | -152.5 | 154.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 122 | K | 34.5 | Very low | 32.4 | Very low | 190 Ų | 190 | 153.9 Ų | 153.9 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | trans | -118.5 | 150.2 | -165 | -64.8 | 174.1 | -178 | 169.2 | 0 | 114.7 | | |
| 123 | K | 31.9 | Very low | 32.5 | Very low | 185 Ų | 185 | 151.7 Ų | 151.7 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | 71.3 | 155.9 | 151.9 | -100.4 | -174.9 | 162.9 | -142.5 | 0 | 116.3 | | |
| 124 | E | 30.8 | Very low | 32.4 | Very low | 147 Ų | 147 | 151.4 Ų | 151.4 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | | | cis | -132 | 171.3 | 7.5 | -74.4 | -147.6 | 130.6 | 0 | 0 | 114.7 | | |
| 125 | R | 35.6 | Very low | 32.2 | Very low | 232 Ų | 232 | 151.7 Ų | 151.7 | 88% | 0.875 | 78% | 0.782 | S | S | * | * | | | trans | -70.4 | 148.9 | 168.6 | -73 | 169.1 | 156.8 | 171.4 | -8.1 | 112.6 | | |
| 126 | K | 31.6 | Very low | 32.4 | Very low | 205 Ų | 205 | 153.4 Ų | 153.4 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | | | trans | -152.3 | 143.4 | 134.2 | -108.1 | 146.9 | -173.2 | 166.2 | 0 | 110.8 | | |
| 127 | Q | 33.4 | Very low | 32.7 | Very low | 178 Ų | 178 | 155.2 Ų | 155.2 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | -87.5 | 172 | -173.4 | -88.6 | -75.3 | 71.9 | 0 | 0 | 111.4 | | |
| 128 | P | 38.7 | Very low | 31.6 | Very low | 106 Ų | 106 | 159.2 Ų | 159.2 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | | | trans | -85.4 | 177.2 | -148.3 | 36.1 | -38.9 | 0 | 0 | 0 | 114.3 | | |
| 129 | R | 26.8 | Very low | 31.8 | Very low | 235 Ų | 235 | 161.2 Ų | 161.2 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | | | trans | -129.4 | 130.1 | 157.3 | -69.8 | -172.2 | 175.9 | -163.9 | -1.9 | 109.3 | L131 | R129-L131 PolarHBondContact O-N 3.47Š|
| 130 | D | 30.1 | Very low | 31.7 | Very low | 159 Ų | 159 | 165.3 Ų | 165.3 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | trans | -61.3 | 125.6 | 167.8 | -65.4 | -76.2 | 0 | 0 | 0 | 110.4 | | |
| 131 | L | 34.1 | Very low | 31.5 | Very low | 146 Ų | 146 | 167.5 Ų | 167.5 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | | | trans | -132.8 | 95.7 | 161.1 | -89.8 | 173.4 | 0 | 0 | 0 | 108.5 | R129 T133 | R129-L131 PolarHBondContact O-N 3.47Å; L131-T133 PolarHBondContact O-N 3.17Å; L131-T133 PolarHBondContact O-OG1 3.4Å |
| 132 | T | 32.2 | Very low | 32 | Very low | 141 Ų | 141 | 171.4 Ų | 171.4 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | | | trans | -58.6 | 79.1 | 166.2 | 35.3 | 0 | 0 | 0 | 0 | 110.3 | E134 | T132-E134 PolarHBondContact O-N 3.32Å; T132-E134 VanDerWaalsContact O-N 3.15Å |
| 133 | T | 30.3 | Very low | 31.9 | Very low | 124 Ų | 124 | 173.8 Ų | 173.8 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | | | trans | -80.6 | 93.7 | 170.7 | 34.1 | 0 | 0 | 0 | 0 | 108.2 | L131 C135 | L131-T133 PolarHBondContact O-N 3.17Å; L131-T133 PolarHBondContact O-OG1 3.4Å; T133-C135 PolarHBondContact O-N 3.28Å; T133-C135 VanDerWaalsContact O-N 3.15Å |
| 134 | E | 28 | Very low | 32.1 | Very low | 148 Ų | 148 | 169.6 Ų | 169.6 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | | | trans | -48.5 | 126.6 | 163 | -78.3 | -152.3 | 153.8 | 0 | 0 | 108.7 | T132 H136 | T132-E134 PolarHBondContact O-N 3.32Å; T132-E134 VanDerWaalsContact O-N 3.15Å; E134-H136 PolarHBondContact O-N 3.44Å; E134-H136 IonicContact OE2-CE1 3.61Å; E134-H136 PolarHBondContact OE2-CE1 3.19Å; E134-H136 IonicContact OE2-ND1 2.91Å; E134-H136 PolarHBondContact OE2-ND1 3.44Å; E134-H136 VanDerWaalsContact OE2-ND1 3.08Å |
| 135 | C | 24.1 | Very low | 32.5 | Very low | 116 Ų | 116 | 167.8 Ų | 167.8 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | | | trans | -72.1 | 74.5 | 165.3 | -169 | 0 | 0 | 0 | 0 | 108.2 | T133 K137 | T133-C135 PolarHBondContact O-N 3.28Å; T133-C135 VanDerWaalsContact O-N 3.15Å; C135-K137 VanDerWaalsContact C-N 3.32Å; C135-K137 PolarHBondContact O-N 3.44Å |
| 136 | H | 30.7 | Very low | 32.5 | Very low | 136 Ų | 136 | 160.8 Ų | 160.8 | 63% | 0.63 | 79% | 0.789 | S | S | * | * | | | trans | -52 | 102.9 | 163.7 | -77.6 | -15.1 | 0 | 0 | 0 | 106.8 | E134 K138 | E134-H136 PolarHBondContact O-N 3.44Å; E134-H136 IonicContact OE2-CE1 3.61Å; E134-H136 PolarHBondContact OE2-CE1 3.19Å; E134-H136 IonicContact OE2-ND1 2.91Å; E134-H136 PolarHBondContact OE2-ND1 3.44Å; E134-H136 VanDerWaalsContact OE2-ND1 3.08Å; H136-K138 PolarHBondContact O-N 3.33Å |
| 137 | K | 34.3 | Very low | 33.1 | Very low | 188 Ų | 188 | 158.5 Ų | 158.5 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | | | trans | -66.2 | 75.7 | 172.3 | -71 | 172 | -177.7 | 167.4 | 0 | 107.8 | C135 K139 | C135-K137 VanDerWaalsContact C-N 3.32Å; C135-K137 PolarHBondContact O-N 3.44Å; K137-K139 PolarHBondContact O-N 3Å |
| 138 | K | 30.1 | Very low | 33.8 | Very low | 188 Ų | 188 | 156.9 Ų | 156.9 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | | | trans | -53.9 | 95 | 163.8 | -76.1 | -178.1 | 179.3 | 175.1 | 0 | 104.9 | H136 R140 | H136-K138 PolarHBondContact O-N 3.33Å; K138-R140 VanDerWaalsContact C-N 3.27Å; K138-R140 PolarHBondContact O-N 3.43Å |
| 139 | K | 35 | Very low | 33.9 | Very low | 197 Ų | 197 | 157 Ų | 157 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | | | trans | -55.2 | 101.4 | 173.4 | -73.7 | -179.9 | 179.2 | 176.1 | 0 | 104.8 | K137 K141 | K137-K139 PolarHBondContact O-N 3Å; K139-K141 PolarHBondContact O-N 3.03Å |
| 140 | R | 31.3 | Very low | 35 | Very low | 238 Ų | 238 | 150.1 Ų | 150.1 | 90% | 0.898 | 75% | 0.753 | S | S | * | * | | | trans | -63.9 | 84.3 | 165.8 | -178.9 | 176.5 | 177.9 | 172.7 | -0.9 | 104.2 | K138 Q142 | K138-R140 VanDerWaalsContact C-N 3.27Å; K138-R140 PolarHBondContact O-N 3.43Å; R140-Q142 PolarHBondContact O-N 3.24Å |
| 141 | K | 31.6 | Very low | 36.1 | Very low | 185 Ų | 185 | 148.5 Ų | 148.5 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | trans | -43.6 | 118.2 | 160.7 | -73.1 | -176.4 | 177.2 | -179.1 | 0 | 103 | K139 R143 | K139-K141 PolarHBondContact O-N 3.03Å; K141-R143 VanDerWaalsContact C-N 3.33Å; K141-R143 PolarHBondContact O-N 3.41Å |
| 142 | Q | 36 | Very low | 36.8 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | | | trans | -55.9 | 116.1 | 159.6 | -69.9 | -162.5 | 7.8 | 0 | 0 | 103.4 | R140 S144 | R140-Q142 PolarHBondContact O-N 3.24Å; Q142-S144 PolarHBondContact O-N 3.34Å |
| 143 | R | 33.7 | Very low | 38 | Very low | 240 Ų | 240 | 146.9 Ų | 146.9 | 91% | 0.906 | 72% | 0.723 | S | S | * | * | | | trans | -57.8 | 106.5 | 156.6 | -90.4 | -170.7 | 170.8 | -163.5 | -1.8 | 102.7 | K141 | K141-R143 VanDerWaalsContact C-N 3.33Å; K141-R143 PolarHBondContact O-N 3.41Å |
| 144 | S | 35.7 | Very low | 39.3 | Very low | 97 Ų | 97 | 146.5 Ų | 146.5 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | | | trans | -40.5 | 130.1 | 157.2 | -42.6 | 0 | 0 | 0 | 0 | 105.7 | Q142 A146 | Q142-S144 PolarHBondContact O-N 3.34Å; S144-A146 PolarHBondContact O-N 3.32Å |
| 145 | P | 38.3 | Very low | 40.5 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | | | trans | -46 | 125.9 | 173.5 | -27.7 | 35.1 | 0 | 0 | 0 | 107.6 | K147 | P145-K147 PolarHBondContact O-N 3.02Š|
| 146 | A | 35.7 | Very low | 42.1 | Very low | 86 Ų | 86 | 139 Ų | 139 | 71% | 0.711 | 69% | 0.69 | S | S | * | * | | | trans | -54.5 | 123.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | S144 I148 | S144-A146 PolarHBondContact O-N 3.32Å; A146-I148 PolarHBondContact O-N 3.44Å |
| 147 | K | 44.7 | Very low | 43.1 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 68% | 0.683 | 69% | 0.69 | S | S | * | * | | | trans | -70.4 | 83.7 | 178 | -73.5 | -179.7 | 167.8 | -168.9 | 0 | 107.1 | P145 L149 L159 | P145-K147 PolarHBondContact O-N 3.02Å; K147-L149 PolarHBondContact O-N 2.98Å; K147-L159 HydrophobicContact CD-CD1 4.13Å |
| 148 | I | 47.7 | Very low | 43.4 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 73% | 0.733 | 67% | 0.67 | S | S | * | * | | | trans | -62.2 | 107.8 | 168.6 | -58.9 | 175.6 | 0 | 0 | 0 | 104.8 | A146 T150 | A146-I148 PolarHBondContact O-N 3.44Å; I148-T150 HydrophobicContact CG2-CG2 4.13Å; I148-T150 PolarHBondContact O-N 3.22Å |
| 149 | L | 41.8 | Very low | 44.2 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 57% | 0.571 | 66% | 0.66 | S | S | * | * | | | trans | -76.5 | 83.1 | 174.1 | -68.8 | 171.6 | 0 | 0 | 0 | 107.4 | K147 I151 | K147-L149 PolarHBondContact O-N 2.98Å; L149-I151 PolarHBondContact O-N 2.9Å |
| 150 | T | 48.6 | Very low | 44.8 | Very low | 90 Ų | 90 | 124.6 Ų | 124.6 | 55% | 0.552 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -67 | 119.5 | 163.5 | 49.4 | 0 | 0 | 0 | 0 | 107.9 | I148 N152 | I148-T150 HydrophobicContact CG2-CG2 4.13Å; I148-T150 PolarHBondContact O-N 3.22Å; T150-N152 PolarHBondContact O-N 3.09Å |
| 151 | I | 53.3 | Low | 45.9 | Very low | 126 Ų | 126 | 117.3 Ų | 117.3 | 65% | 0.646 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 125 | 171.3 | -60 | 168.1 | 0 | 0 | 0 | 106.5 | L149 | L149-I151 PolarHBondContact O-N 2.9Š|
| 152 | N | 49.8 | Very low | 47.5 | Very low | 40 Ų | 40 | 113.3 Ų | 113.3 | 21% | 0.214 | 63% | 0.627 | C | S | . | * | P | Polyproline II helix | trans | -76.7 | 159.9 | 170.2 | -50.3 | -77.1 | 0 | 0 | 0 | 108.5 | T150 D154 G155 S156 Q160 | T150-N152 PolarHBondContact O-N 3.09Å; N152-D154 WeakPolarHBondContact CB-OD1 3.49Å; N152-D154 PolarHBondContact O-N 3.17Å; N152-G155 PolarHBondContact O-N 2.91Å; N152-S156 PolarHBondContact ND2-O 3.42Å; N152-Q160 PolarHBondContact OD1-NE2 3.32Å |
| 153 | E | 57.1 | Low | 48.9 | Very low | 213 Ų | 213 | 114 Ų | 114 | 100% | 0.995 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -12.7 | -171.3 | -60.6 | 178.3 | 135.9 | 0 | 0 | 114.3 | G155 | E153-G155 VanDerWaalsContact C-N 3.34Š|
| 154 | D | 57.8 | Low | 51.3 | Low | 115 Ų | 115 | 106 Ų | 106 | 62% | 0.615 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 0 | 171.6 | 74.8 | -28.6 | 0 | 0 | 0 | 114 | N152 S156 | N152-D154 WeakPolarHBondContact CB-OD1 3.49Å; N152-D154 PolarHBondContact O-N 3.17Å; D154-S156 VanDerWaalsContact CG-OG 3.29Å; D154-S156 PolarHBondContact O-N 3.07Å; D154-S156 VanDerWaalsContact OD1-CB 3.3Å; D154-S156 WeakPolarHBondContact OD1-CB 3.43Å; D154-S156 PolarHBondContact OD1-N 2.89Å; D154-S156 WeakPolarHBondContact OD2-CB 3.42Å; D154-S156 PolarHBondContact OD2-OG 3.39Å |
| 155 | G | 54 | Low | 53.6 | Low | 52 Ų | 52 | 104.5 Ų | 104.5 | 54% | 0.536 | 59% | 0.59 | S | S | . | * | | | trans | 76.9 | -0.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N152 E153 | N152-G155 PolarHBondContact O-N 2.91Å; E153-G155 VanDerWaalsContact C-N 3.34Å |
| 156 | S | 57.2 | Low | 56 | Low | 56 Ų | 56 | 102.8 Ų | 102.8 | 39% | 0.392 | 58% | 0.577 | S | S | . | * | | | trans | -77.2 | 130.3 | -176.9 | -65.9 | 0 | 0 | 0 | 0 | 111.9 | N152 D154 G158 | N152-S156 PolarHBondContact ND2-O 3.42Å; D154-S156 VanDerWaalsContact CG-OG 3.29Å; D154-S156 PolarHBondContact O-N 3.07Å; D154-S156 VanDerWaalsContact OD1-CB 3.3Å; D154-S156 WeakPolarHBondContact OD1-CB 3.43Å; D154-S156 PolarHBondContact OD1-N 2.89Å; D154-S156 WeakPolarHBondContact OD2-CB 3.42Å; D154-S156 PolarHBondContact OD2-OG 3.39Å; S156-G158 PolarHBondContact O-N 3.2Å |
| 157 | L | 50.7 | Low | 58.7 | Low | 121 Ų | 121 | 98.7 Ų | 98.7 | 63% | 0.634 | 54% | 0.543 | S | S | * | . | | | trans | -74.8 | 51.3 | 169.8 | -65.4 | 179 | 0 | 0 | 0 | 112 | L159 | L157-L159 PolarHBondContact O-N 3.31Š|
| 158 | G | 40.9 | Very low | 60.8 | Low | 39 Ų | 39 | 94.8 Ų | 94.8 | 40% | 0.402 | 55% | 0.547 | S | S | . | . | | | trans | -66.6 | 121.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S156 Q160 | S156-G158 PolarHBondContact O-N 3.2Å; G158-Q160 VanDerWaalsContact C-N 3.31Å; G158-Q160 PolarHBondContact O-N 3.37Å |
| 159 | L | 47.5 | Very low | 62.7 | Low | 113 Ų | 113 | 93.8 Ų | 93.8 | 59% | 0.592 | 54% | 0.539 | S | S | * | . | | | trans | -74.5 | 84.6 | 175.2 | -150.7 | 98.1 | 0 | 0 | 0 | 109.3 | K147 L157 S161 | K147-L159 HydrophobicContact CD-CD1 4.13Å; L157-L159 PolarHBondContact O-N 3.31Å; L159-S161 VanDerWaalsContact C-N 3.33Å; L159-S161 PolarHBondContact O-N 3.2Å |
| 160 | Q | 48.3 | Very low | 65 | Low | 132 Ų | 132 | 91.4 Ų | 91.4 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | | | trans | -60.8 | 97.5 | 171.4 | -70.2 | -155.8 | 41.4 | 0 | 0 | 109 | N152 G158 | N152-Q160 PolarHBondContact OD1-NE2 3.32Å; G158-Q160 VanDerWaalsContact C-N 3.31Å; G158-Q160 PolarHBondContact O-N 3.37Å |
| 161 | S | 54.5 | Low | 66.9 | Low | 86 Ų | 86 | 93.3 Ų | 93.3 | 60% | 0.601 | 54% | 0.538 | S | S | * | . | | | trans | -57.5 | 132.6 | 171.1 | 55.2 | 0 | 0 | 0 | 0 | 108.4 | L159 K163 | L159-S161 VanDerWaalsContact C-N 3.33Å; L159-S161 PolarHBondContact O-N 3.2Å; S161-K163 PolarHBondContact O-N 2.9Å; S161-K163 VanDerWaalsContact O-N 3.14Å |
| 162 | P | 64 | Low | 68.6 | Low | 100 Ų | 100 | 88.7 Ų | 88.7 | 65% | 0.649 | 52% | 0.519 | S | S | * | . | | | trans | -56.6 | 125.9 | -179.8 | 25.4 | -34 | 0 | 0 | 0 | 108.7 | C164 | P162-C164 PolarHBondContact O-N 2.89Å; P162-C164 PolarHBondContact O-SG 3.03Å; P162-C164 VanDerWaalsContact O-SG 3.4Å |
| 163 | K | 66.6 | Low | 70.6 | Confident | 169 Ų | 169 | 90 Ų | 90 | 74% | 0.735 | 54% | 0.535 | S | S | * | . | | | trans | -53.7 | 100 | -168.3 | -68.3 | 178.9 | 179.1 | 177 | 0 | 110.7 | S161 H165 | S161-K163 PolarHBondContact O-N 2.9Å; S161-K163 VanDerWaalsContact O-N 3.14Å; K163-H165 PolarHBondContact O-CD2 2.99Å; K163-H165 PolarHBondContact O-N 2.8Å |
| 164 | C | 82.7 | Confident | 72.2 | Confident | 74 Ų | 74 | 82 Ų | 82 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | | | trans | -77.9 | 117.5 | -177.2 | -79.9 | 0 | 0 | 0 | 0 | 109.5 | P162 V166 A173 | P162-C164 PolarHBondContact O-N 2.89Å; P162-C164 PolarHBondContact O-SG 3.03Å; P162-C164 VanDerWaalsContact O-SG 3.4Å; C164-V166 PolarHBondContact O-N 3.05Å; C164-A173 HydrophobicContact CB-CB 4.27Å |
| 165 | H | 85 | Confident | 73.7 | Confident | 65 Ų | 65 | 86 Ų | 86 | 30% | 0.301 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 105.5 | 174.1 | -66.5 | -86.1 | 0 | 0 | 0 | 108.6 | K163 F174 N177 L180 | K163-H165 PolarHBondContact O-CD2 2.99Å; K163-H165 PolarHBondContact O-N 2.8Å; H165-F174 PolarHBondContact N-O 3.44Å; H165-F174 PolarHBondContact O-N 3.24Å; H165-N177 PolarHBondContact CD2-N 2.92Å; H165-N177 PolarHBondContact NE2-N 3.09Å; H165-L180 HydrophobicContact CB-CB 3.91Å; H165-L180 HydrophobicContact CB-CD2 3.75Å; H165-L180 HydrophobicContact CB-CG 4.46Å |
| 166 | V | 88.6 | Confident | 75.4 | Confident | 73 Ų | 73 | 86.3 Ų | 86.3 | 44% | 0.442 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 138.7 | -176.1 | -177.5 | 0 | 0 | 0 | 0 | 110.7 | C164 N171 A172 A173 L180 | C164-V166 PolarHBondContact O-N 3.05Å; V166-N171 HydrophobicContact CG1-CB 4.35Å; V166-A172 CarbonylContact C-O 3.59Å; V166-A172 WeakPolarHBondContact CA-O 3.47Å; V166-A173 HydrophobicContact CG2-CB 4.23Å; V166-L180 WeakPolarHBondContact O-CD2 3.37Å |
| 167 | C | 91.7 | Very high | 76.9 | Confident | 0 Ų | 0 | 87.9 Ų | 87.9 | 0% | 0 | 50% | 0.499 | C | S | . | . | | | trans | -81.7 | 121.2 | 175.2 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | H169 C170 N171 A172 F174 L180 H183 | C167-H169 PolarHBondContact O-N 2.76Å; C167-C170 PolarHBondContact O-N 3.23Å; C167-N171 VanDerWaalsContact O-CA 3.23Å; C167-N171 WeakPolarHBondContact O-CA 3.2Å; C167-N171 PolarHBondContact O-N 3.49Å; C167-A172 HydrophobicContact CB-CB 4.48Å; C167-A172 PolarHBondContact N-O 3.46Å; C167-F174 HydrophobicContact CB-CE2 4.29Å; C167-L180 VanDerWaalsContact CA-CD1 3.44Å; C167-L180 HydrophobicContact CB-CD1 3.5Å; C167-L180 VanDerWaalsContact CB-CD1 3.5Å; C167-H183 VanDerWaalsContact SG-CD2 3.57Å |
| 168 | G | 88.2 | Confident | 78.7 | Confident | 74 Ų | 74 | 88.7 Ų | 88.7 | 76% | 0.763 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 169 | H | 87.6 | Confident | 81 | Confident | 122 Ų | 122 | 90.7 Ų | 90.7 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -24 | -178.5 | -57.8 | -72 | 0 | 0 | 0 | 114.3 | C167 H187 | C167-H169 PolarHBondContact O-N 2.76Å; H169-H187 HydrophobicContact CB-CB 4.14Å; H169-H187 AromaticContact CD2-CG 3.94Å; H169-H187 AromaticContact CG-CG 3.88Å |
| 170 | C | 91.1 | Very high | 83.1 | Confident | 60 Ų | 60 | 86.3 Ų | 86.3 | 41% | 0.405 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.8 | 8.4 | -175 | 70 | 0 | 0 | 0 | 0 | 115.2 | C167 A172 H183 | C167-C170 PolarHBondContact O-N 3.23Å; C170-A172 PolarHBondContact O-N 3Å; C170-A172 VanDerWaalsContact SG-CB 3.58Å; C170-H183 PolarHBondContact SG-NE2 2.93Å |
| 171 | N | 88.8 | Confident | 85 | Confident | 129 Ų | 129 | 84.9 Ų | 84.9 | 69% | 0.69 | 46% | 0.464 | S | S | * | . | | | trans | 56.7 | 16.6 | -178.5 | -62.2 | -49.8 | 0 | 0 | 0 | 115.9 | V166 C167 A173 | V166-N171 HydrophobicContact CG1-CB 4.35Å; C167-N171 VanDerWaalsContact O-CA 3.23Å; C167-N171 WeakPolarHBondContact O-CA 3.2Å; C167-N171 PolarHBondContact O-N 3.49Å; N171-A173 PolarHBondContact O-N 3.4Å |
| 172 | A | 89.6 | Confident | 86.6 | Confident | 30 Ų | 30 | 84.4 Ų | 84.4 | 25% | 0.248 | 45% | 0.449 | C | S | . | . | | | trans | -66.8 | 127.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V166 C167 C170 F174 | V166-A172 CarbonylContact C-O 3.59Å; V166-A172 WeakPolarHBondContact CA-O 3.47Å; C167-A172 HydrophobicContact CB-CB 4.48Å; C167-A172 PolarHBondContact N-O 3.46Å; C170-A172 PolarHBondContact O-N 3Å; C170-A172 VanDerWaalsContact SG-CB 3.58Å; A172-F174 HydrophobicContact CB-CE2 3.64Å; A172-F174 HydrophobicContact CB-CZ 3.83Å; A172-F174 WeakPolarHBondContact O-CD2 3.49Å; A172-F174 VanDerWaalsContact O-CE2 3.32Å; A172-F174 WeakPolarHBondContact O-CE2 3.49Å |
| 173 | A | 91.3 | Very high | 87.8 | Confident | 66 Ų | 66 | 80.3 Ų | 80.3 | 55% | 0.545 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 123.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | C164 V166 N171 | C164-A173 HydrophobicContact CB-CB 4.27Å; V166-A173 HydrophobicContact CG2-CB 4.23Å; N171-A173 PolarHBondContact O-N 3.4Å |
| 174 | F | 90.9 | Very high | 88.9 | Confident | 47 Ų | 47 | 74.1 Ų | 74.1 | 21% | 0.206 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 146.5 | -178.4 | -60.1 | -84.9 | 0 | 0 | 0 | 112.2 | H165 C167 A172 T176 H179 L180 H183 | H165-F174 PolarHBondContact N-O 3.44Å; H165-F174 PolarHBondContact O-N 3.24Å; C167-F174 HydrophobicContact CB-CE2 4.29Å; A172-F174 HydrophobicContact CB-CE2 3.64Å; A172-F174 HydrophobicContact CB-CZ 3.83Å; A172-F174 WeakPolarHBondContact O-CD2 3.49Å; A172-F174 VanDerWaalsContact O-CE2 3.32Å; A172-F174 WeakPolarHBondContact O-CE2 3.49Å; F174-T176 PolarHBondContact O-N 2.22Å; F174-H179 HydrophobicContact CB-CB 4.03Å; F174-H179 HydrophobicContact CD1-CB 4.02Å; F174-H179 HydrophobicContact CG-CB 4.3Å; F174-L180 HydrophobicContact CB-CB 4.22Å; F174-L180 HydrophobicContact CD2-CB 3.95Å; F174-L180 HydrophobicContact CD2-CD1 3.93Å; F174-L180 HydrophobicContact CE2-CD1 4.18Å; F174-L180 HydrophobicContact CG-CB 4.3Å; F174-H183 HydrophobicContact CE1-CB 4.1Å; F174-H183 HydrophobicContact CE2-CB 3.9Å; F174-H183 AromaticContact CE2-CD2 3.36Å; F174-H183 WeakPolarHBondContact CE2-CD2 3.22Å; F174-H183 AromaticContact CE2-CG 3.65Å; F174-H183 HydrophobicContact CZ-CB 3.56Å; F174-H183 AromaticContact CZ-CD2 3.45Å; F174-H183 VanDerWaalsContact CZ-CD2 3.45Å; F174-H183 WeakPolarHBondContact CZ-CD2 3.02Å; F174-H183 AromaticContact CZ-CG 3.29Å; F174-H183 AromaticContact CZ-ND1 3.79Å; F174-H183 AromaticContact CZ-NE2 4Å |
| 175 | R | 89 | Confident | 89.3 | Confident | 198 Ų | 198 | 72.7 Ų | 72.7 | 75% | 0.747 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -73.3 | -8.5 | -177.3 | -63.7 | -176.9 | -179.1 | 177.1 | 0.5 | 114.9 | | |
| 176 | T | 89.3 | Confident | 89.5 | Confident | 59 Ų | 59 | 74.2 Ų | 74.2 | 36% | 0.362 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -155.6 | 147.3 | -174.6 | 61.1 | 0 | 0 | 0 | 0 | 109.7 | F174 Y178 H179 L180 | F174-T176 PolarHBondContact O-N 2.22Å; T176-Y178 VanDerWaalsContact C-N 3.35Å; T176-Y178 PolarHBondContact O-N 2.95Å; T176-H179 PolarHBondContact O-N 3.25Å; T176-H179 WeakPolarHBondContact OG1-CB 3.41Å; T176-H179 PolarHBondContact OG1-N 3.18Å; T176-H179 PolarHBondContact OG1-ND1 3.17Å; T176-L180 PolarHBondContact O-N 3.38Å |
| 177 | N | 89.3 | Confident | 89.5 | Confident | 88 Ų | 88 | 74.4 Ų | 74.4 | 47% | 0.471 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -54.9 | -44.7 | 176.1 | -176.8 | -78 | 0 | 0 | 0 | 113 | H165 H179 L180 Q181 | H165-N177 PolarHBondContact CD2-N 2.92Å; H165-N177 PolarHBondContact NE2-N 3.09Å; N177-H179 VanDerWaalsContact C-N 3.3Å; N177-H179 PolarHBondContact O-N 2.64Å; N177-L180 CarbonylContact O-C 3.54Å; N177-L180 WeakPolarHBondContact O-CA 3.19Å; N177-L180 WeakPolarHBondContact O-CB 3.32Å; N177-L180 PolarHBondContact O-N 2.88Å; N177-Q181 PolarHBondContact O-N 2.9Å |
| 178 | Y | 87.9 | Confident | 89.3 | Confident | 138 Ų | 138 | 77.4 Ų | 77.4 | 54% | 0.541 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -52.2 | -43.3 | 178 | 175.3 | -99.5 | 0 | 0 | 0 | 113.8 | T176 Q181 R182 | T176-Y178 VanDerWaalsContact C-N 3.35Å; T176-Y178 PolarHBondContact O-N 2.95Å; Y178-Q181 PolarHBondContact O-N 3.11Å; Y178-R182 WeakPolarHBondContact O-CB 3.47Å; Y178-R182 PolarHBondContact O-N 2.72Å |
| 179 | H | 89.9 | Confident | 89.3 | Confident | 81 Ų | 81 | 76.3 Ų | 76.3 | 38% | 0.375 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.7 | -32.9 | 176.9 | -77.9 | 81 | 0 | 0 | 0 | 112.7 | F174 T176 N177 R182 H183 | F174-H179 HydrophobicContact CB-CB 4.03Å; F174-H179 HydrophobicContact CD1-CB 4.02Å; F174-H179 HydrophobicContact CG-CB 4.3Å; T176-H179 PolarHBondContact O-N 3.25Å; T176-H179 WeakPolarHBondContact OG1-CB 3.41Å; T176-H179 PolarHBondContact OG1-N 3.18Å; T176-H179 PolarHBondContact OG1-ND1 3.17Å; N177-H179 VanDerWaalsContact C-N 3.3Å; N177-H179 PolarHBondContact O-N 2.64Å; H179-R182 PolarHBondContact CD2-NH2 2.81Å; H179-H183 WeakPolarHBondContact O-CB 3.4Å; H179-H183 PolarHBondContact O-N 2.73Å |
| 180 | L | 90.8 | Very high | 89.3 | Confident | 22 Ų | 22 | 75.5 Ų | 75.5 | 12% | 0.115 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.2 | -51.7 | 171.3 | 168.3 | 61.2 | 0 | 0 | 0 | 110.9 | H165 V166 C167 F174 T176 N177 R182 H183 V184 | H165-L180 HydrophobicContact CB-CB 3.91Å; H165-L180 HydrophobicContact CB-CD2 3.75Å; H165-L180 HydrophobicContact CB-CG 4.46Å; V166-L180 WeakPolarHBondContact O-CD2 3.37Å; C167-L180 VanDerWaalsContact CA-CD1 3.44Å; C167-L180 HydrophobicContact CB-CD1 3.5Å; C167-L180 VanDerWaalsContact CB-CD1 3.5Å; F174-L180 HydrophobicContact CB-CB 4.22Å; F174-L180 HydrophobicContact CD2-CB 3.95Å; F174-L180 HydrophobicContact CD2-CD1 3.93Å; F174-L180 HydrophobicContact CE2-CD1 4.18Å; F174-L180 HydrophobicContact CG-CB 4.3Å; T176-L180 PolarHBondContact O-N 3.38Å; N177-L180 CarbonylContact O-C 3.54Å; N177-L180 WeakPolarHBondContact O-CA 3.19Å; N177-L180 WeakPolarHBondContact O-CB 3.32Å; N177-L180 PolarHBondContact O-N 2.88Å; L180-R182 VanDerWaalsContact C-N 3.31Å; L180-R182 PolarHBondContact O-N 3.47Å; L180-H183 CarbonylContact O-C 3.23Å; L180-H183 WeakPolarHBondContact O-CA 3.26Å; L180-H183 WeakPolarHBondContact O-CB 3.42Å; L180-H183 PolarHBondContact O-N 3.1Å; L180-V184 HydrophobicContact CD1-CG2 3.87Å; L180-V184 HydrophobicContact CG-CG2 4.28Å; L180-V184 WeakPolarHBondContact O-CG2 3.42Å; L180-V184 PolarHBondContact O-N 3.08Å |
| 181 | Q | 88.4 | Confident | 89.3 | Confident | 102 Ų | 102 | 77.2 Ų | 77.2 | 48% | 0.477 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56.8 | -45.4 | -178 | -171.6 | -177.1 | 15.3 | 0 | 0 | 111.4 | N177 Y178 H183 V184 F185 | N177-Q181 PolarHBondContact O-N 2.9Å; Y178-Q181 PolarHBondContact O-N 3.11Å; Q181-H183 PolarHBondContact O-N 2.79Å; Q181-V184 WeakPolarHBondContact O-CB 3.39Å; Q181-V184 PolarHBondContact O-N 2.82Å; Q181-V184 VanDerWaalsContact O-N 3.12Å; Q181-F185 HydrophobicContact CG-CE2 4.32Å; Q181-F185 HydrophobicContact CG-CZ 4.13Å; Q181-F185 PolarHBondContact O-N 3.15Å |
| 182 | R | 88.4 | Confident | 89.2 | Confident | 76 Ų | 76 | 74.3 Ų | 74.3 | 29% | 0.287 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.6 | -35 | 173.1 | -179.1 | 178.8 | 65.1 | -172.1 | 1.2 | 113.2 | Y178 H179 L180 I203 Q204 | Y178-R182 WeakPolarHBondContact O-CB 3.47Å; Y178-R182 PolarHBondContact O-N 2.72Å; H179-R182 PolarHBondContact CD2-NH2 2.81Å; L180-R182 VanDerWaalsContact C-N 3.31Å; L180-R182 PolarHBondContact O-N 3.47Å; R182-I203 HydrophobicContact CG-CG2 4.12Å; R182-Q204 HydrophobicContact CG-CG 4.26Å |
| 183 | H | 89.6 | Confident | 89.2 | Confident | 13 Ų | 13 | 76.3 Ų | 76.3 | 6% | 0.06 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -77.1 | -31.1 | 177.1 | 172.2 | 73 | 0 | 0 | 0 | 112.4 | C167 C170 F174 H179 L180 Q181 F185 I186 H187 | C167-H183 VanDerWaalsContact SG-CD2 3.57Å; C170-H183 PolarHBondContact SG-NE2 2.93Å; F174-H183 HydrophobicContact CE1-CB 4.1Å; F174-H183 HydrophobicContact CE2-CB 3.9Å; F174-H183 AromaticContact CE2-CD2 3.36Å; F174-H183 WeakPolarHBondContact CE2-CD2 3.22Å; F174-H183 AromaticContact CE2-CG 3.65Å; F174-H183 HydrophobicContact CZ-CB 3.56Å; F174-H183 AromaticContact CZ-CD2 3.45Å; F174-H183 VanDerWaalsContact CZ-CD2 3.45Å; F174-H183 WeakPolarHBondContact CZ-CD2 3.02Å; F174-H183 AromaticContact CZ-CG 3.29Å; F174-H183 AromaticContact CZ-ND1 3.79Å; F174-H183 AromaticContact CZ-NE2 4Å; H179-H183 WeakPolarHBondContact O-CB 3.4Å; H179-H183 PolarHBondContact O-N 2.73Å; L180-H183 CarbonylContact O-C 3.23Å; L180-H183 WeakPolarHBondContact O-CA 3.26Å; L180-H183 WeakPolarHBondContact O-CB 3.42Å; L180-H183 PolarHBondContact O-N 3.1Å; Q181-H183 PolarHBondContact O-N 2.79Å; H183-F185 VanDerWaalsContact C-N 3.29Å; H183-F185 PolarHBondContact O-N 3.04Å; H183-I186 VanDerWaalsContact O-CB 3.3Å; H183-I186 WeakPolarHBondContact O-CB 3.41Å; H183-I186 PolarHBondContact O-N 2.84Å; H183-H187 AromaticContact CD2-NE2 3.74Å; H183-H187 AromaticContact CE1-NE2 3.36Å; H183-H187 PolarHBondContact CE1-NE2 2.85Å; H183-H187 AromaticContact NE2-CD2 3.71Å; H183-H187 AromaticContact NE2-NE2 2.95Å; H183-H187 PolarHBondContact NE2-NE2 3Å; H183-H187 PolarHBondContact O-CD2 2.89Å |
| 184 | V | 89.4 | Confident | 89.3 | Confident | 39 Ų | 39 | 78 Ų | 78 | 24% | 0.236 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.4 | -37.6 | 172.1 | 172.6 | 0 | 0 | 0 | 0 | 111 | L180 Q181 I186 H187 T188 | L180-V184 HydrophobicContact CD1-CG2 3.87Å; L180-V184 HydrophobicContact CG-CG2 4.28Å; L180-V184 WeakPolarHBondContact O-CG2 3.42Å; L180-V184 PolarHBondContact O-N 3.08Å; Q181-V184 WeakPolarHBondContact O-CB 3.39Å; Q181-V184 PolarHBondContact O-N 2.82Å; Q181-V184 VanDerWaalsContact O-N 3.12Å; V184-I186 PolarHBondContact O-N 3.28Å; V184-H187 WeakPolarHBondContact O-CA 3.45Å; V184-H187 PolarHBondContact O-N 3.33Å; V184-T188 HydrophobicContact CG1-CG2 3.94Å; V184-T188 PolarHBondContact O-N 2.82Å; V184-T188 PolarHBondContact O-OG1 3.5Å |
| 185 | F | 91.3 | Very high | 89.4 | Confident | 44 Ų | 44 | 76.1 Ų | 76.1 | 19% | 0.193 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.6 | -18.3 | 172.4 | -63.1 | -36.6 | 0 | 0 | 0 | 114.8 | Q181 H183 T188 G189 E190 P192 I203 | Q181-F185 HydrophobicContact CG-CE2 4.32Å; Q181-F185 HydrophobicContact CG-CZ 4.13Å; Q181-F185 PolarHBondContact O-N 3.15Å; H183-F185 VanDerWaalsContact C-N 3.29Å; H183-F185 PolarHBondContact O-N 3.04Å; F185-T188 WeakPolarHBondContact CA-OG1 3.33Å; F185-G189 WeakPolarHBondContact O-CA 3.46Å; F185-G189 PolarHBondContact O-N 2.92Å; F185-E190 HydrophobicContact CD1-CB 3.95Å; F185-E190 PolarHBondContact O-N 3.48Å; F185-P192 HydrophobicContact CE2-CG 4.38Å; F185-P192 HydrophobicContact CZ-CG 4.47Å; F185-I203 HydrophobicContact CB-CG2 3.71Å; F185-I203 HydrophobicContact CD2-CG2 3.9Å; F185-I203 HydrophobicContact CG-CG2 4.28Å |
| 186 | I | 88.8 | Confident | 89.5 | Confident | 98 Ų | 98 | 71.7 Ų | 71.7 | 50% | 0.503 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -77 | -32.4 | 172.5 | -52.3 | 176.2 | 0 | 0 | 0 | 110.6 | H183 V184 I203 | H183-I186 VanDerWaalsContact O-CB 3.3Å; H183-I186 WeakPolarHBondContact O-CB 3.41Å; H183-I186 PolarHBondContact O-N 2.84Å; V184-I186 PolarHBondContact O-N 3.28Å; I186-I203 HydrophobicContact CG1-CD1 4.21Å |
| 187 | H | 88.3 | Confident | 89.5 | Confident | 77 Ų | 77 | 74.1 Ų | 74.1 | 36% | 0.356 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -83.7 | -39.1 | 177.6 | -62.7 | -78.2 | 0 | 0 | 0 | 112.8 | H169 H183 V184 G189 | H169-H187 HydrophobicContact CB-CB 4.14Å; H169-H187 AromaticContact CD2-CG 3.94Å; H169-H187 AromaticContact CG-CG 3.88Å; H183-H187 AromaticContact CD2-NE2 3.74Å; H183-H187 AromaticContact CE1-NE2 3.36Å; H183-H187 PolarHBondContact CE1-NE2 2.85Å; H183-H187 AromaticContact NE2-CD2 3.71Å; H183-H187 AromaticContact NE2-NE2 2.95Å; H183-H187 PolarHBondContact NE2-NE2 3Å; H183-H187 PolarHBondContact O-CD2 2.89Å; V184-H187 WeakPolarHBondContact O-CA 3.45Å; V184-H187 PolarHBondContact O-N 3.33Å; H187-G189 VanDerWaalsContact C-N 3.29Å |
| 188 | T | 87.1 | Confident | 89.7 | Confident | 63 Ų | 63 | 71.6 Ų | 71.6 | 39% | 0.387 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -78.3 | -15.8 | 177.1 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | V184 F185 E190 | V184-T188 HydrophobicContact CG1-CG2 3.94Å; V184-T188 PolarHBondContact O-N 2.82Å; V184-T188 PolarHBondContact O-OG1 3.5Å; F185-T188 WeakPolarHBondContact CA-OG1 3.33Å; T188-E190 WeakPolarHBondContact CB-OE2 3.4Å; T188-E190 PolarHBondContact O-N 2.82Å; T188-E190 WeakPolarHBondContact OG1-CB 3.12Å; T188-E190 VanDerWaalsContact OG1-CD 3.32Å; T188-E190 VanDerWaalsContact OG1-CG 3.32Å; T188-E190 WeakPolarHBondContact OG1-CG 3.16Å; T188-E190 PolarHBondContact OG1-N 3.3Å; T188-E190 PolarHBondContact OG1-OE2 3.45Å |
| 189 | G | 88.1 | Confident | 89.8 | Confident | 50 Ų | 50 | 71.7 Ų | 71.7 | 52% | 0.515 | 38% | 0.377 | S | S | . | . | | | trans | 68.2 | 6.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F185 H187 K191 | F185-G189 WeakPolarHBondContact O-CA 3.46Å; F185-G189 PolarHBondContact O-N 2.92Å; H187-G189 VanDerWaalsContact C-N 3.29Å; G189-K191 WeakPolarHBondContact O-CG 3.1Å; G189-K191 PolarHBondContact O-N 3.27Å |
| 190 | E | 88.1 | Confident | 89.8 | Confident | 106 Ų | 106 | 72.6 Ų | 72.6 | 50% | 0.495 | 38% | 0.383 | S | S | . | . | | | trans | -70 | 118.1 | -177.1 | -70.1 | 168 | 135.6 | 0 | 0 | 110.9 | F185 T188 P192 | F185-E190 HydrophobicContact CD1-CB 3.95Å; F185-E190 PolarHBondContact O-N 3.48Å; T188-E190 WeakPolarHBondContact CB-OE2 3.4Å; T188-E190 PolarHBondContact O-N 2.82Å; T188-E190 WeakPolarHBondContact OG1-CB 3.12Å; T188-E190 VanDerWaalsContact OG1-CD 3.32Å; T188-E190 VanDerWaalsContact OG1-CG 3.32Å; T188-E190 WeakPolarHBondContact OG1-CG 3.16Å; T188-E190 PolarHBondContact OG1-N 3.3Å; T188-E190 PolarHBondContact OG1-OE2 3.45Å; E190-P192 WeakPolarHBondContact O-CD 3.37Å |
| 191 | K | 90.3 | Very high | 89.9 | Confident | 96 Ų | 96 | 77.5 Ų | 77.5 | 42% | 0.417 | 40% | 0.4 | S | S | . | . | | | trans | -112.6 | 86.2 | 177.3 | -57.9 | -164.2 | -167.9 | -179.1 | 0 | 108.9 | G189 F193 R201 F202 I203 | G189-K191 WeakPolarHBondContact O-CG 3.1Å; G189-K191 PolarHBondContact O-N 3.27Å; K191-F193 VanDerWaalsContact C-N 3.27Å; K191-F193 PolarHBondContact O-N 3.19Å; K191-R201 HydrophobicContact CB-CB 3.47Å; K191-R201 VanDerWaalsContact CB-CB 3.47Å; K191-R201 HydrophobicContact CD-CB 4.36Å; K191-R201 WeakPolarHBondContact CD-O 3.47Å; K191-R201 HydrophobicContact CG-CB 4.49Å; K191-R201 VanDerWaalsContact O-CZ 3.32Å; K191-R201 PolarHBondContact O-NE 3.11Å; K191-R201 PolarHBondContact O-NH2 3.44Å; K191-F202 CarbonylContact C-O 3.36Å; K191-F202 VanDerWaalsContact C-O 3.3Å; K191-F202 WeakPolarHBondContact CA-O 3.43Å; K191-I203 HydrophobicContact CG-CG1 4.02Å |
| 192 | P | 87.6 | Confident | 90.1 | Very high | 67 Ų | 67 | 74.1 Ų | 74.1 | 44% | 0.435 | 38% | 0.384 | S | S | . | . | | | trans | -69.2 | -17 | -170.4 | 23.9 | -33.7 | 0 | 0 | 0 | 115 | F185 E190 | F185-P192 HydrophobicContact CE2-CG 4.38Å; F185-P192 HydrophobicContact CZ-CG 4.47Å; E190-P192 WeakPolarHBondContact O-CD 3.37Å |
| 193 | F | 90.3 | Very high | 90.2 | Very high | 72 Ų | 72 | 72.3 Ų | 72.3 | 32% | 0.316 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 96.3 | -178.3 | -57 | -79.4 | 0 | 0 | 0 | 111 | K191 R201 F202 Q204 K205 L208 | K191-F193 VanDerWaalsContact C-N 3.27Å; K191-F193 PolarHBondContact O-N 3.19Å; F193-R201 CarbonylContact O-C 3.55Å; F193-R201 WeakPolarHBondContact O-CA 3.42Å; F193-F202 HydrophobicContact CB-CB 4.38Å; F193-F202 PolarHBondContact N-O 3.09Å; F193-F202 PolarHBondContact O-N 3.05Å; F193-Q204 VanDerWaalsContact CD2-C 3.41Å; F193-K205 HydrophobicContact CD1-CB 3.99Å; F193-K205 HydrophobicContact CD1-CG 4.44Å; F193-K205 HydrophobicContact CE1-CB 3.81Å; F193-K205 HydrophobicContact CE1-CG 4.44Å; F193-K205 HydrophobicContact CG-CB 4.45Å; F193-K205 HydrophobicContact CZ-CB 4.11Å; F193-L208 HydrophobicContact CB-CB 4.24Å; F193-L208 HydrophobicContact CB-CD2 4.01Å |
| 194 | Q | 92.4 | Very high | 90.2 | Very high | 103 Ų | 103 | 72.5 Ų | 72.5 | 48% | 0.481 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 146 | 174.1 | -174.2 | 167.6 | -6.7 | 0 | 0 | 111.4 | R201 L208 | Q194-R201 HydrophobicContact CB-CG 3.92Å; Q194-R201 HydrophobicContact CG-CG 3.91Å; Q194-L208 WeakPolarHBondContact O-CD2 3.45Å |
| 195 | C | 93.9 | Very high | 90.2 | Very high | 7 Ų | 7 | 76.8 Ų | 76.8 | 5% | 0.047 | 40% | 0.396 | C | S | . | . | | | trans | -77.2 | 144.7 | 170.9 | -170.5 | 0 | 0 | 0 | 0 | 111.6 | Q197 C198 M200 L208 | C195-Q197 VanDerWaalsContact C-N 3.3Å; C195-Q197 PolarHBondContact SG-N 3.24Å; C195-C198 WeakPolarHBondContact CB-O 3.38Å; C195-C198 VanDerWaalsContact O-O 3.05Å; C195-M200 PolarHBondContact N-O 3.22Å; C195-L208 HydrophobicContact CB-CD1 3.67Å |
| 196 | S | 90.6 | Very high | 90.1 | Very high | 105 Ų | 105 | 80.4 Ų | 80.4 | 73% | 0.734 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -77.9 | -12.4 | 175.5 | 51.9 | 0 | 0 | 0 | 0 | 114 | | |
| 197 | Q | 89 | Confident | 90.2 | Very high | 109 Ų | 109 | 76.6 Ų | 76.6 | 51% | 0.509 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -114.7 | -7.1 | -173.6 | -62.5 | -173.2 | 69.9 | 0 | 0 | 113.8 | C195 H215 | C195-Q197 VanDerWaalsContact C-N 3.3Å; C195-Q197 PolarHBondContact SG-N 3.24Å; Q197-H215 HydrophobicContact CB-CB 4.44Å; Q197-H215 PolarHBondContact O-CE1 3.18Å |
| 198 | C | 92.4 | Very high | 90.5 | Very high | 35 Ų | 35 | 73.7 Ų | 73.7 | 24% | 0.236 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -163 | 166.9 | 170.7 | 66 | 0 | 0 | 0 | 0 | 110.8 | C195 M200 H211 H215 | C195-C198 WeakPolarHBondContact CB-O 3.38Å; C195-C198 VanDerWaalsContact O-O 3.05Å; C198-M200 PolarHBondContact O-N 3.09Å; C198-H211 PolarHBondContact SG-NE2 3.38Å; C198-H215 WeakPolarHBondContact CB-CE1 3.27Å; C198-H215 PolarHBondContact SG-CE1 3.47Å; C198-H215 PolarHBondContact SG-NE2 2.91Å |
| 199 | D | 91.2 | Very high | 90.6 | Very high | 140 Ų | 140 | 75.5 Ų | 75.5 | 75% | 0.749 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -71.8 | 6.5 | -177.7 | -56.3 | -62.8 | 0 | 0 | 0 | 115 | R201 | D199-R201 PolarHBondContact O-N 3.29Š|
| 200 | M | 90.4 | Very high | 90.7 | Very high | 100 Ų | 100 | 75.6 Ų | 75.6 | 49% | 0.493 | 37% | 0.366 | S | S | . | . | | | trans | -67.4 | 128.8 | 177.3 | -66.4 | -63.4 | -84.9 | 0 | 0 | 111.1 | C195 C198 F202 | C195-M200 PolarHBondContact N-O 3.22Å; C198-M200 PolarHBondContact O-N 3.09Å; M200-F202 HydrophobicContact CB-CE2 3.86Å; M200-F202 HydrophobicContact CB-CZ 3.86Å |
| 201 | R | 92.7 | Very high | 90.9 | Very high | 125 Ų | 125 | 71.9 Ų | 71.9 | 47% | 0.472 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 145.7 | -179.8 | -60.6 | 178.1 | 61.2 | 172.3 | 2.4 | 110.6 | K191 F193 Q194 D199 | K191-R201 HydrophobicContact CB-CB 3.47Å; K191-R201 VanDerWaalsContact CB-CB 3.47Å; K191-R201 HydrophobicContact CD-CB 4.36Å; K191-R201 WeakPolarHBondContact CD-O 3.47Å; K191-R201 HydrophobicContact CG-CB 4.49Å; K191-R201 VanDerWaalsContact O-CZ 3.32Å; K191-R201 PolarHBondContact O-NE 3.11Å; K191-R201 PolarHBondContact O-NH2 3.44Å; F193-R201 CarbonylContact O-C 3.55Å; F193-R201 WeakPolarHBondContact O-CA 3.42Å; Q194-R201 HydrophobicContact CB-CG 3.92Å; Q194-R201 HydrophobicContact CG-CG 3.91Å; D199-R201 PolarHBondContact O-N 3.29Å |
| 202 | F | 91.3 | Very high | 90.9 | Very high | 32 Ų | 32 | 70 Ų | 70 | 14% | 0.14 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 151.8 | -174.4 | -58.6 | -83 | 0 | 0 | 0 | 112.6 | K191 F193 M200 Q204 L207 L208 H211 | K191-F202 CarbonylContact C-O 3.36Å; K191-F202 VanDerWaalsContact C-O 3.3Å; K191-F202 WeakPolarHBondContact CA-O 3.43Å; F193-F202 HydrophobicContact CB-CB 4.38Å; F193-F202 PolarHBondContact N-O 3.09Å; F193-F202 PolarHBondContact O-N 3.05Å; M200-F202 HydrophobicContact CB-CE2 3.86Å; M200-F202 HydrophobicContact CB-CZ 3.86Å; F202-Q204 VanDerWaalsContact C-N 3.34Å; F202-L207 HydrophobicContact CB-CB 4Å; F202-L207 HydrophobicContact CD1-CB 3.88Å; F202-L207 HydrophobicContact CG-CB 4.16Å; F202-L208 HydrophobicContact CB-CB 4.4Å; F202-L208 HydrophobicContact CD2-CB 3.91Å; F202-L208 HydrophobicContact CD2-CD1 4.04Å; F202-L208 HydrophobicContact CE2-CD1 4.2Å; F202-L208 HydrophobicContact CG-CB 4.34Å; F202-H211 HydrophobicContact CE1-CB 4.07Å; F202-H211 HydrophobicContact CE2-CB 3.92Å; F202-H211 AromaticContact CE2-CD2 3.55Å; F202-H211 AromaticContact CE2-CG 3.68Å; F202-H211 HydrophobicContact CZ-CB 3.51Å; F202-H211 AromaticContact CZ-CD2 3.62Å; F202-H211 AromaticContact CZ-CG 3.29Å; F202-H211 AromaticContact CZ-ND1 3.59Å |
| 203 | I | 90.7 | Very high | 91.1 | Very high | 38 Ų | 38 | 70.3 Ų | 70.3 | 20% | 0.195 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -77.1 | -20.7 | 178 | -62.1 | 177.2 | 0 | 0 | 0 | 111.8 | R182 F185 I186 K191 | R182-I203 HydrophobicContact CG-CG2 4.12Å; F185-I203 HydrophobicContact CB-CG2 3.71Å; F185-I203 HydrophobicContact CD2-CG2 3.9Å; F185-I203 HydrophobicContact CG-CG2 4.28Å; I186-I203 HydrophobicContact CG1-CD1 4.21Å; K191-I203 HydrophobicContact CG-CG1 4.02Å |
| 204 | Q | 89.8 | Confident | 91.1 | Very high | 17 Ų | 17 | 71.8 Ų | 71.8 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -141.6 | 142.9 | -175.7 | -58.9 | 177.2 | 98.5 | 0 | 0 | 112.3 | R182 F193 F202 Y206 L207 L208 | R182-Q204 HydrophobicContact CG-CG 4.26Å; F193-Q204 VanDerWaalsContact CD2-C 3.41Å; F202-Q204 VanDerWaalsContact C-N 3.34Å; Q204-Y206 VanDerWaalsContact C-N 3.29Å; Q204-Y206 HydrophobicContact CB-CD1 4.08Å; Q204-Y206 HydrophobicContact CB-CE1 4.08Å; Q204-Y206 HydrophobicContact CG-CE1 4.37Å; Q204-Y206 VanDerWaalsContact NE2-CE1 3.32Å; Q204-Y206 PolarHBondContact NE2-OH 2.8Å; Q204-Y206 PolarHBondContact O-N 3.25Å; Q204-Y206 VanDerWaalsContact OE1-CE1 3.27Å; Q204-L207 HydrophobicContact CB-CD1 3.96Å; Q204-L207 HydrophobicContact CB-CG 4.11Å; Q204-L207 HydrophobicContact CG-CD1 4.26Å; Q204-L207 WeakPolarHBondContact O-CB 3.46Å; Q204-L207 PolarHBondContact O-N 2.87Å; Q204-L208 PolarHBondContact O-N 2.92Å |
| 205 | K | 89.9 | Confident | 91 | Very high | 128 Ų | 128 | 70.8 Ų | 70.8 | 56% | 0.557 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -56 | -36.4 | 179.3 | -171.1 | 172.4 | -179 | 175.3 | 0 | 114.1 | F193 L207 L208 Q209 | F193-K205 HydrophobicContact CD1-CB 3.99Å; F193-K205 HydrophobicContact CD1-CG 4.44Å; F193-K205 HydrophobicContact CE1-CB 3.81Å; F193-K205 HydrophobicContact CE1-CG 4.44Å; F193-K205 HydrophobicContact CG-CB 4.45Å; F193-K205 HydrophobicContact CZ-CB 4.11Å; K205-L207 VanDerWaalsContact C-N 3.3Å; K205-L207 PolarHBondContact O-N 2.97Å; K205-L208 PolarHBondContact O-N 2.96Å; K205-Q209 WeakPolarHBondContact O-CG 3.34Å; K205-Q209 PolarHBondContact O-N 3.13Å |
| 206 | Y | 89.4 | Confident | 90.7 | Very high | 120 Ų | 120 | 74.2 Ų | 74.2 | 47% | 0.471 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.3 | -26.7 | 178.2 | 81.9 | -105.4 | 0 | 0 | 0 | 112.9 | Q204 R210 | Q204-Y206 VanDerWaalsContact C-N 3.29Å; Q204-Y206 HydrophobicContact CB-CD1 4.08Å; Q204-Y206 HydrophobicContact CB-CE1 4.08Å; Q204-Y206 HydrophobicContact CG-CE1 4.37Å; Q204-Y206 VanDerWaalsContact NE2-CE1 3.32Å; Q204-Y206 PolarHBondContact NE2-OH 2.8Å; Q204-Y206 PolarHBondContact O-N 3.25Å; Q204-Y206 VanDerWaalsContact OE1-CE1 3.27Å; Y206-R210 VanDerWaalsContact O-CB 3.26Å; Y206-R210 WeakPolarHBondContact O-CB 3.05Å; Y206-R210 PolarHBondContact O-N 2.97Å |
| 207 | L | 91.3 | Very high | 90.5 | Very high | 18 Ų | 18 | 71.4 Ų | 71.4 | 9% | 0.094 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -70.2 | -42.5 | 175.3 | -63.9 | 170.3 | 0 | 0 | 0 | 109.7 | F202 Q204 K205 R210 H211 | F202-L207 HydrophobicContact CB-CB 4Å; F202-L207 HydrophobicContact CD1-CB 3.88Å; F202-L207 HydrophobicContact CG-CB 4.16Å; Q204-L207 HydrophobicContact CB-CD1 3.96Å; Q204-L207 HydrophobicContact CB-CG 4.11Å; Q204-L207 HydrophobicContact CG-CD1 4.26Å; Q204-L207 WeakPolarHBondContact O-CB 3.46Å; Q204-L207 PolarHBondContact O-N 2.87Å; K205-L207 VanDerWaalsContact C-N 3.3Å; K205-L207 PolarHBondContact O-N 2.97Å; L207-R210 WeakPolarHBondContact O-CB 3.39Å; L207-R210 PolarHBondContact O-N 3.25Å; L207-H211 WeakPolarHBondContact O-CB 3.19Å; L207-H211 PolarHBondContact O-N 3.28Å |
| 208 | L | 93.1 | Very high | 90.5 | Very high | 17 Ų | 17 | 70.9 Ų | 70.9 | 9% | 0.089 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.4 | -52.2 | 170.2 | 171.7 | 58.7 | 0 | 0 | 0 | 111.2 | F193 Q194 C195 F202 Q204 K205 R210 H211 E212 | F193-L208 HydrophobicContact CB-CB 4.24Å; F193-L208 HydrophobicContact CB-CD2 4.01Å; Q194-L208 WeakPolarHBondContact O-CD2 3.45Å; C195-L208 HydrophobicContact CB-CD1 3.67Å; F202-L208 HydrophobicContact CB-CB 4.4Å; F202-L208 HydrophobicContact CD2-CB 3.91Å; F202-L208 HydrophobicContact CD2-CD1 4.04Å; F202-L208 HydrophobicContact CE2-CD1 4.2Å; F202-L208 HydrophobicContact CG-CB 4.34Å; Q204-L208 PolarHBondContact O-N 2.92Å; K205-L208 PolarHBondContact O-N 2.96Å; L208-R210 PolarHBondContact O-N 3.42Å; L208-R210 VanDerWaalsContact O-N 3.13Å; L208-H211 CarbonylContact O-C 3.57Å; L208-H211 WeakPolarHBondContact O-CA 3.44Å; L208-H211 WeakPolarHBondContact O-CB 3.02Å; L208-H211 PolarHBondContact O-N 2.45Å; L208-E212 HydrophobicContact CD1-CG 3.83Å; L208-E212 HydrophobicContact CG-CG 4.26Å; L208-E212 WeakPolarHBondContact O-CG 3.39Å; L208-E212 PolarHBondContact O-N 3.34Å |
| 209 | Q | 90.1 | Very high | 90.4 | Very high | 101 Ų | 101 | 74.1 Ų | 74.1 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.1 | -22.3 | 177.8 | -71.1 | -178.3 | -42.8 | 0 | 0 | 114.5 | K205 E212 | K205-Q209 WeakPolarHBondContact O-CG 3.34Å; K205-Q209 PolarHBondContact O-N 3.13Å; Q209-E212 WeakPolarHBondContact CA-OE2 3.44Å |
| 210 | R | 90.2 | Very high | 90.3 | Very high | 52 Ų | 52 | 70.6 Ų | 70.6 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -79 | -37.6 | 172.5 | -174.2 | 179.5 | 79.7 | 177.9 | -8.7 | 111.4 | D48 D50 Y206 L207 L208 Q232 | D48-R210 IonicContact OD1-CZ 2.82Å; D48-R210 IonicContact OD1-NH1 2.8Å; D48-R210 IonicContact OD1-NH2 3.55Å; D48-R210 PolarHBondContact OD1-NH2 3.17Å; D48-R210 IonicContact OD2-CZ 3.66Å; D48-R210 IonicContact OD2-NH1 2.92Å; D48-R210 PolarHBondContact OD2-NH1 2.8Å; D48-R210 IonicContact OD2-NH2 3.5Å; D48-R210 PolarHBondContact OD2-NH2 2.36Å; D50-R210 IonicContact OD1-NH2 3.07Å; Y206-R210 VanDerWaalsContact O-CB 3.26Å; Y206-R210 WeakPolarHBondContact O-CB 3.05Å; Y206-R210 PolarHBondContact O-N 2.97Å; L207-R210 WeakPolarHBondContact O-CB 3.39Å; L207-R210 PolarHBondContact O-N 3.25Å; L208-R210 PolarHBondContact O-N 3.42Å; L208-R210 VanDerWaalsContact O-N 3.13Å; R210-Q232 HydrophobicContact CG-CG 4.26Å |
| 211 | H | 91.9 | Very high | 90.4 | Very high | 27 Ų | 27 | 69.4 Ų | 69.4 | 13% | 0.125 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -74.7 | -36 | 176.8 | 170.4 | 84.1 | 0 | 0 | 0 | 112.8 | C198 F202 L207 L208 K213 I214 H215 | C198-H211 PolarHBondContact SG-NE2 3.38Å; F202-H211 HydrophobicContact CE1-CB 4.07Å; F202-H211 HydrophobicContact CE2-CB 3.92Å; F202-H211 AromaticContact CE2-CD2 3.55Å; F202-H211 AromaticContact CE2-CG 3.68Å; F202-H211 HydrophobicContact CZ-CB 3.51Å; F202-H211 AromaticContact CZ-CD2 3.62Å; F202-H211 AromaticContact CZ-CG 3.29Å; F202-H211 AromaticContact CZ-ND1 3.59Å; L207-H211 WeakPolarHBondContact O-CB 3.19Å; L207-H211 PolarHBondContact O-N 3.28Å; L208-H211 CarbonylContact O-C 3.57Å; L208-H211 WeakPolarHBondContact O-CA 3.44Å; L208-H211 WeakPolarHBondContact O-CB 3.02Å; L208-H211 PolarHBondContact O-N 2.45Å; H211-K213 PolarHBondContact O-N 3.17Å; H211-K213 VanDerWaalsContact O-N 3.1Å; H211-I214 WeakPolarHBondContact O-CB 3.34Å; H211-I214 WeakPolarHBondContact O-CG1 3.35Å; H211-I214 PolarHBondContact O-N 3.23Å; H211-H215 AromaticContact CD2-NE2 3.17Å; H211-H215 PolarHBondContact CD2-NE2 2.74Å; H211-H215 AromaticContact CE1-NE2 2.95Å; H211-H215 PolarHBondContact CE1-NE2 2.88Å; H211-H215 AromaticContact NE2-CD2 3.71Å; H211-H215 AromaticContact NE2-NE2 2.22Å; H211-H215 PolarHBondContact NE2-NE2 2.89Å |
| 212 | E | 90.5 | Very high | 90.4 | Very high | 58 Ų | 58 | 71.1 Ų | 71.1 | 27% | 0.271 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -55.5 | -29 | 174.9 | -75.2 | 169.1 | 159.6 | 0 | 0 | 112.4 | L208 Q209 I214 H215 T216 | L208-E212 HydrophobicContact CD1-CG 3.83Å; L208-E212 HydrophobicContact CG-CG 4.26Å; L208-E212 WeakPolarHBondContact O-CG 3.39Å; L208-E212 PolarHBondContact O-N 3.34Å; Q209-E212 WeakPolarHBondContact CA-OE2 3.44Å; E212-I214 VanDerWaalsContact C-N 3.27Å; E212-I214 PolarHBondContact O-N 2.96Å; E212-H215 WeakPolarHBondContact O-CB 3.17Å; E212-H215 PolarHBondContact O-N 2.77Å; E212-T216 PolarHBondContact O-N 3.24Å |
| 213 | K | 91.6 | Very high | 90.5 | Very high | 72 Ų | 72 | 69.6 Ų | 69.6 | 31% | 0.313 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.8 | -15.7 | 175.2 | -62.8 | -173.3 | -179.3 | -146.7 | 0 | 114.9 | H211 G217 E218 I231 | H211-K213 PolarHBondContact O-N 3.17Å; H211-K213 VanDerWaalsContact O-N 3.1Å; K213-G217 CarbonylContact O-C 3.6Å; K213-G217 PolarHBondContact O-N 3.37Å; K213-E218 HydrophobicContact CB-CB 4.05Å; K213-E218 HydrophobicContact CD-CB 4.35Å; K213-E218 HydrophobicContact CG-CB 4.1Å; K213-E218 IonicContact NZ-OE2 3.66Å; K213-E218 PolarHBondContact O-N 3.45Å; K213-E218 VanDerWaalsContact O-N 3.08Å; K213-I231 HydrophobicContact CB-CG2 3.67Å; K213-I231 HydrophobicContact CD-CG2 4.3Å |
| 214 | I | 90.4 | Very high | 90.5 | Very high | 104 Ų | 104 | 76.2 Ų | 76.2 | 53% | 0.533 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.2 | -46.1 | 169.3 | -55.3 | 172.6 | 0 | 0 | 0 | 108.2 | H211 E212 G217 I231 | H211-I214 WeakPolarHBondContact O-CB 3.34Å; H211-I214 WeakPolarHBondContact O-CG1 3.35Å; H211-I214 PolarHBondContact O-N 3.23Å; E212-I214 VanDerWaalsContact C-N 3.27Å; E212-I214 PolarHBondContact O-N 2.96Å; I214-G217 PolarHBondContact O-N 3.13Å; I214-I231 HydrophobicContact CB-CD1 4.27Å; I214-I231 HydrophobicContact CG1-CD1 3.62Å |
| 215 | H | 89.6 | Confident | 90.5 | Very high | 81 Ų | 81 | 80.8 Ų | 80.8 | 38% | 0.375 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.3 | -42.1 | 177.7 | -64.9 | -78.7 | 0 | 0 | 0 | 113.2 | Q197 C198 H211 E212 G217 | Q197-H215 HydrophobicContact CB-CB 4.44Å; Q197-H215 PolarHBondContact O-CE1 3.18Å; C198-H215 WeakPolarHBondContact CB-CE1 3.27Å; C198-H215 PolarHBondContact SG-CE1 3.47Å; C198-H215 PolarHBondContact SG-NE2 2.91Å; H211-H215 AromaticContact CD2-NE2 3.17Å; H211-H215 PolarHBondContact CD2-NE2 2.74Å; H211-H215 AromaticContact CE1-NE2 2.95Å; H211-H215 PolarHBondContact CE1-NE2 2.88Å; H211-H215 AromaticContact NE2-CD2 3.71Å; H211-H215 AromaticContact NE2-NE2 2.22Å; H211-H215 PolarHBondContact NE2-NE2 2.89Å; E212-H215 WeakPolarHBondContact O-CB 3.17Å; E212-H215 PolarHBondContact O-N 2.77Å; H215-G217 PolarHBondContact O-N 2.81Å |
| 216 | T | 87.9 | Confident | 90.6 | Very high | 80 Ų | 80 | 77.4 Ų | 77.4 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -6.7 | 176.3 | 66.1 | 0 | 0 | 0 | 0 | 114 | E212 E218 | E212-T216 PolarHBondContact O-N 3.24Å; T216-E218 PolarHBondContact O-N 3.49Å; T216-E218 WeakPolarHBondContact OG1-CB 3.26Å; T216-E218 WeakPolarHBondContact OG1-CG 3.27Å |
| 217 | G | 88.1 | Confident | 90.6 | Very high | 46 Ų | 46 | 72.6 Ų | 72.6 | 47% | 0.474 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 11.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | K213 I214 H215 K219 | K213-G217 CarbonylContact O-C 3.6Å; K213-G217 PolarHBondContact O-N 3.37Å; I214-G217 PolarHBondContact O-N 3.13Å; H215-G217 PolarHBondContact O-N 2.81Å; G217-K219 PolarHBondContact O-N 3.18Å |
| 218 | E | 87.8 | Confident | 90.6 | Very high | 97 Ų | 97 | 77.4 Ų | 77.4 | 45% | 0.453 | 39% | 0.387 | S | S | . | . | | | trans | -64.9 | 96.8 | -178.2 | -89.9 | -178.4 | -135.8 | 0 | 0 | 111.9 | K213 T216 P220 | K213-E218 HydrophobicContact CB-CB 4.05Å; K213-E218 HydrophobicContact CD-CB 4.35Å; K213-E218 HydrophobicContact CG-CB 4.1Å; K213-E218 IonicContact NZ-OE2 3.66Å; K213-E218 PolarHBondContact O-N 3.45Å; K213-E218 VanDerWaalsContact O-N 3.08Å; T216-E218 PolarHBondContact O-N 3.49Å; T216-E218 WeakPolarHBondContact OG1-CB 3.26Å; T216-E218 WeakPolarHBondContact OG1-CG 3.27Å; E218-P220 WeakPolarHBondContact O-CD 3.31Å |
| 219 | K | 90.5 | Very high | 90.6 | Very high | 103 Ų | 103 | 83.3 Ų | 83.3 | 45% | 0.448 | 41% | 0.409 | S | S | . | . | | | trans | -106.9 | 77.5 | 173.7 | -66 | 171.9 | 174.2 | -171.5 | 0 | 110 | G217 R229 F230 I231 | G217-K219 PolarHBondContact O-N 3.18Å; K219-R229 HydrophobicContact CB-CB 3.57Å; K219-R229 HydrophobicContact CD-CB 4.39Å; K219-R229 WeakPolarHBondContact CD-O 3.44Å; K219-R229 VanDerWaalsContact O-CZ 3.32Å; K219-R229 PolarHBondContact O-NE 2.72Å; K219-R229 PolarHBondContact O-NH2 3.29Å; K219-F230 CarbonylContact C-O 3.55Å; K219-F230 WeakPolarHBondContact CA-O 3.24Å; K219-I231 HydrophobicContact CG-CG1 3.85Å |
| 220 | P | 89.1 | Confident | 90.6 | Very high | 67 Ų | 67 | 80.5 Ų | 80.5 | 44% | 0.435 | 40% | 0.395 | S | S | . | . | | | trans | -73.4 | -23.4 | -174 | 29 | -36.3 | 0 | 0 | 0 | 113.9 | E218 | E218-P220 WeakPolarHBondContact O-CD 3.31Š|
| 221 | F | 91.7 | Very high | 90.7 | Very high | 74 Ų | 74 | 79.7 Ų | 79.7 | 33% | 0.325 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 106.2 | -177.3 | -56.7 | -72.5 | 0 | 0 | 0 | 110.6 | R229 F230 I231 K233 M236 | F221-R229 CarbonylContact O-C 3.3Å; F221-R229 WeakPolarHBondContact O-CA 3.38Å; F221-F230 HydrophobicContact CB-CB 4.47Å; F221-F230 PolarHBondContact N-O 3.29Å; F221-F230 VanDerWaalsContact N-O 3.11Å; F221-F230 PolarHBondContact O-N 2.97Å; F221-I231 WeakPolarHBondContact CD2-O 3.38Å; F221-I231 WeakPolarHBondContact CE2-O 3.43Å; F221-K233 HydrophobicContact CD1-CB 3.77Å; F221-K233 HydrophobicContact CD1-CG 4.08Å; F221-K233 HydrophobicContact CD2-CB 4.22Å; F221-K233 HydrophobicContact CE1-CB 3.7Å; F221-K233 HydrophobicContact CE1-CD 4.3Å; F221-K233 HydrophobicContact CE1-CG 4.2Å; F221-K233 HydrophobicContact CE2-CB 4.15Å; F221-K233 VanDerWaalsContact CE2-N 3.33Å; F221-K233 HydrophobicContact CG-CB 4.04Å; F221-K233 HydrophobicContact CZ-CB 3.89Å; F221-M236 HydrophobicContact CB-CB 4.02Å; F221-M236 HydrophobicContact CB-CG 4.31Å |
| 222 | R | 92.9 | Very high | 90.7 | Very high | 161 Ų | 161 | 79.9 Ų | 79.9 | 61% | 0.608 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 137.9 | 174.5 | -177.8 | 169.2 | 177.8 | 157.5 | 5.3 | 110.4 | M228 R229 | R222-M228 CarbonylContact C-O 3.57Å; R222-M228 WeakPolarHBondContact CA-O 3.48Å; R222-R229 HydrophobicContact CB-CG 4.34Å; R222-R229 HydrophobicContact CG-CG 4.38Å |
| 223 | C | 94 | Very high | 90.7 | Very high | 1 Ų | 1 | 83.3 Ų | 83.3 | 1% | 0.007 | 41% | 0.409 | C | S | . | . | | | trans | -80.1 | 129.1 | 163.2 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | C226 G227 M228 F230 M236 | C223-C226 VanDerWaalsContact SG-SG 3.65Å; C223-G227 WeakPolarHBondContact O-CA 3.43Å; C223-G227 PolarHBondContact O-N 3.45Å; C223-M228 PolarHBondContact N-O 3.46Å; C223-F230 HydrophobicContact CB-CE2 4.15Å; C223-M236 HydrophobicContact CB-CG 4.17Å; C223-M236 HydrophobicContact CB-SD 4.42Å |
| 224 | E | 90.8 | Very high | 90.6 | Very high | 177 Ų | 177 | 85 Ų | 85 | 83% | 0.827 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -30.9 | -175.2 | -68.6 | 167.5 | -173.1 | 0 | 0 | 112.2 | | |
| 225 | E | 90.7 | Very high | 90.6 | Very high | 112 Ų | 112 | 81.5 Ų | 81.5 | 52% | 0.523 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -38.1 | -172.2 | -69 | 155.6 | -108.9 | 0 | 0 | 113.7 | R240 H243 | E225-R240 WeakPolarHBondContact OE1-CD 3.22Å; E225-R240 WeakPolarHBondContact OE1-CG 3.14Å; E225-H243 WeakPolarHBondContact OE2-CB 3.43Å; E225-H243 IonicContact OE2-CD2 3.58Å; E225-H243 IonicContact OE2-CG 2.65Å |
| 226 | C | 91.1 | Very high | 90.8 | Very high | 58 Ų | 58 | 78.8 Ų | 78.8 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -6.9 | -178.7 | 66.7 | 0 | 0 | 0 | 0 | 114.1 | C223 M228 H239 H243 | C223-C226 VanDerWaalsContact SG-SG 3.65Å; C226-M228 PolarHBondContact O-N 3.15Å; C226-M228 VanDerWaalsContact SG-CB 3.56Å; C226-M228 PolarHBondContact SG-N 3.39Å; C226-M228 VanDerWaalsContact SG-N 3.44Å; C226-H239 PolarHBondContact SG-NE2 3.12Å; C226-H243 PolarHBondContact SG-NE2 3.19Å |
| 227 | G | 89.8 | Confident | 90.9 | Very high | 19 Ų | 19 | 77.8 Ų | 77.8 | 20% | 0.196 | 37% | 0.373 | C | S | . | . | | | trans | 75.7 | -6.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | C223 | C223-G227 WeakPolarHBondContact O-CA 3.43Å; C223-G227 PolarHBondContact O-N 3.45Å |
| 228 | M | 91.1 | Very high | 90.9 | Very high | 118 Ų | 118 | 78.4 Ų | 78.4 | 58% | 0.581 | 36% | 0.361 | S | S | * | . | | | trans | -56.3 | 144.1 | 178.8 | -74.9 | -66 | -166.9 | 0 | 0 | 112.2 | R222 C223 C226 F230 | R222-M228 CarbonylContact C-O 3.57Å; R222-M228 WeakPolarHBondContact CA-O 3.48Å; C223-M228 PolarHBondContact N-O 3.46Å; C226-M228 PolarHBondContact O-N 3.15Å; C226-M228 VanDerWaalsContact SG-CB 3.56Å; C226-M228 PolarHBondContact SG-N 3.39Å; C226-M228 VanDerWaalsContact SG-N 3.44Å; M228-F230 HydrophobicContact CB-CE2 3.69Å; M228-F230 HydrophobicContact CB-CZ 3.81Å |
| 229 | R | 92.4 | Very high | 91.1 | Very high | 142 Ų | 142 | 75.9 Ų | 75.9 | 54% | 0.536 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 139.4 | -175.9 | -56.7 | -177.7 | 63.6 | 163.7 | 0.9 | 111.6 | K219 F221 R222 | K219-R229 HydrophobicContact CB-CB 3.57Å; K219-R229 HydrophobicContact CD-CB 4.39Å; K219-R229 WeakPolarHBondContact CD-O 3.44Å; K219-R229 VanDerWaalsContact O-CZ 3.32Å; K219-R229 PolarHBondContact O-NE 2.72Å; K219-R229 PolarHBondContact O-NH2 3.29Å; F221-R229 CarbonylContact O-C 3.3Å; F221-R229 WeakPolarHBondContact O-CA 3.38Å; R222-R229 HydrophobicContact CB-CG 4.34Å; R222-R229 HydrophobicContact CG-CG 4.38Å |
| 230 | F | 91.5 | Very high | 91 | Very high | 41 Ų | 41 | 75.1 Ų | 75.1 | 18% | 0.18 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 150.6 | -173.1 | -56.8 | -90 | 0 | 0 | 0 | 111.7 | K219 F221 C223 M228 H235 M236 H239 | K219-F230 CarbonylContact C-O 3.55Å; K219-F230 WeakPolarHBondContact CA-O 3.24Å; F221-F230 HydrophobicContact CB-CB 4.47Å; F221-F230 PolarHBondContact N-O 3.29Å; F221-F230 VanDerWaalsContact N-O 3.11Å; F221-F230 PolarHBondContact O-N 2.97Å; C223-F230 HydrophobicContact CB-CE2 4.15Å; M228-F230 HydrophobicContact CB-CE2 3.69Å; M228-F230 HydrophobicContact CB-CZ 3.81Å; F230-H235 HydrophobicContact CB-CB 4.25Å; F230-H235 HydrophobicContact CD1-CB 3.91Å; F230-H235 HydrophobicContact CG-CB 4.34Å; F230-M236 HydrophobicContact CB-CB 4.11Å; F230-M236 HydrophobicContact CD2-CB 3.57Å; F230-M236 HydrophobicContact CD2-CG 3.74Å; F230-M236 HydrophobicContact CE2-CB 4.3Å; F230-M236 HydrophobicContact CE2-CG 4.21Å; F230-M236 HydrophobicContact CG-CB 3.98Å; F230-H239 HydrophobicContact CE1-CB 4.01Å; F230-H239 HydrophobicContact CE2-CB 4.16Å; F230-H239 AromaticContact CE2-CD2 3.8Å; F230-H239 HydrophobicContact CZ-CB 3.55Å; F230-H239 AromaticContact CZ-CD2 3.53Å; F230-H239 AromaticContact CZ-CG 3.4Å; F230-H239 VanDerWaalsContact CZ-CG 3.4Å; F230-H239 AromaticContact CZ-ND1 3.98Å |
| 231 | I | 91.4 | Very high | 91 | Very high | 36 Ų | 36 | 75.1 Ų | 75.1 | 19% | 0.185 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -76.3 | -35 | 178.4 | -59 | 178.6 | 0 | 0 | 0 | 111.4 | K213 I214 K219 F221 | K213-I231 HydrophobicContact CB-CG2 3.67Å; K213-I231 HydrophobicContact CD-CG2 4.3Å; I214-I231 HydrophobicContact CB-CD1 4.27Å; I214-I231 HydrophobicContact CG1-CD1 3.62Å; K219-I231 HydrophobicContact CG-CG1 3.85Å; F221-I231 WeakPolarHBondContact CD2-O 3.38Å; F221-I231 WeakPolarHBondContact CE2-O 3.43Å |
| 232 | Q | 91.2 | Very high | 90.8 | Very high | 30 Ų | 30 | 75.2 Ų | 75.2 | 14% | 0.14 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -116.8 | 139.8 | -179.6 | -44.5 | -173.4 | 50.9 | 0 | 0 | 111.4 | D50 R210 Y234 H235 M236 | D50-Q232 PolarHBondContact OD2-NE2 3.49Å; R210-Q232 HydrophobicContact CG-CG 4.26Å; Q232-Y234 HydrophobicContact CB-CD1 3.99Å; Q232-Y234 HydrophobicContact CB-CE1 4.49Å; Q232-Y234 PolarHBondContact O-N 3.2Å; Q232-H235 VanDerWaalsContact CD-NE2 3.3Å; Q232-H235 PolarHBondContact NE2-NE2 3.21Å; Q232-H235 PolarHBondContact O-N 3.02Å; Q232-M236 PolarHBondContact O-N 3.08Å |
| 233 | K | 90.6 | Very high | 90.6 | Very high | 130 Ų | 130 | 71.2 Ų | 71.2 | 57% | 0.565 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.8 | -33.6 | 177.4 | -172 | 172.1 | 179 | 173.2 | 0 | 112.5 | F221 M236 E237 | F221-K233 HydrophobicContact CD1-CB 3.77Å; F221-K233 HydrophobicContact CD1-CG 4.08Å; F221-K233 HydrophobicContact CD2-CB 4.22Å; F221-K233 HydrophobicContact CE1-CB 3.7Å; F221-K233 HydrophobicContact CE1-CD 4.3Å; F221-K233 HydrophobicContact CE1-CG 4.2Å; F221-K233 HydrophobicContact CE2-CB 4.15Å; F221-K233 VanDerWaalsContact CE2-N 3.33Å; F221-K233 HydrophobicContact CG-CB 4.04Å; F221-K233 HydrophobicContact CZ-CB 3.89Å; K233-M236 PolarHBondContact O-N 3.3Å; K233-E237 WeakPolarHBondContact O-CB 3.47Å; K233-E237 PolarHBondContact O-N 2.82Å |
| 234 | Y | 89.4 | Confident | 90.1 | Very high | 109 Ų | 109 | 74 Ų | 74 | 43% | 0.427 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.4 | -34.3 | -179.3 | 105.1 | -102.4 | 0 | 0 | 0 | 112.4 | D50 Q232 E237 R238 | D50-Y234 PolarHBondContact OD2-OH 3.25Å; Q232-Y234 HydrophobicContact CB-CD1 3.99Å; Q232-Y234 HydrophobicContact CB-CE1 4.49Å; Q232-Y234 PolarHBondContact O-N 3.2Å; Y234-E237 PolarHBondContact O-N 3.5Å; Y234-R238 WeakPolarHBondContact O-CB 3.49Å; Y234-R238 PolarHBondContact O-N 3.05Å |
| 235 | H | 90.9 | Very high | 89.8 | Confident | 30 Ų | 30 | 67.6 Ų | 67.6 | 14% | 0.139 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 173.7 | -69.4 | -55 | 0 | 0 | 0 | 111.4 | D50 F230 Q232 R238 H239 | D50-H235 VanDerWaalsContact CG-NE2 3.34Å; D50-H235 IonicContact OD1-NE2 3.08Å; D50-H235 IonicContact OD2-CE1 3.78Å; D50-H235 PolarHBondContact OD2-CE1 3.27Å; D50-H235 IonicContact OD2-NE2 2.84Å; D50-H235 PolarHBondContact OD2-NE2 3.37Å; F230-H235 HydrophobicContact CB-CB 4.25Å; F230-H235 HydrophobicContact CD1-CB 3.91Å; F230-H235 HydrophobicContact CG-CB 4.34Å; Q232-H235 VanDerWaalsContact CD-NE2 3.3Å; Q232-H235 PolarHBondContact NE2-NE2 3.21Å; Q232-H235 PolarHBondContact O-N 3.02Å; H235-R238 PolarHBondContact ND1-NH2 2.86Å; H235-R238 WeakPolarHBondContact O-CB 3.39Å; H235-R238 PolarHBondContact O-N 2.92Å; H235-H239 WeakPolarHBondContact O-CB 3.41Å; H235-H239 PolarHBondContact O-N 3.07Å |
| 236 | M | 93.8 | Very high | 89.5 | Confident | 23 Ų | 23 | 67.2 Ų | 67.2 | 11% | 0.113 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 174.9 | -172 | -78.2 | -68.8 | 0 | 0 | 111.5 | F221 C223 F230 Q232 K233 H239 R240 | F221-M236 HydrophobicContact CB-CB 4.02Å; F221-M236 HydrophobicContact CB-CG 4.31Å; C223-M236 HydrophobicContact CB-CG 4.17Å; C223-M236 HydrophobicContact CB-SD 4.42Å; F230-M236 HydrophobicContact CB-CB 4.11Å; F230-M236 HydrophobicContact CD2-CB 3.57Å; F230-M236 HydrophobicContact CD2-CG 3.74Å; F230-M236 HydrophobicContact CE2-CB 4.3Å; F230-M236 HydrophobicContact CE2-CG 4.21Å; F230-M236 HydrophobicContact CG-CB 3.98Å; Q232-M236 PolarHBondContact O-N 3.08Å; K233-M236 PolarHBondContact O-N 3.3Å; M236-H239 PolarHBondContact O-N 3.47Å; M236-R240 PolarHBondContact O-N 3.3Å |
| 237 | E | 89.9 | Confident | 89.2 | Confident | 59 Ų | 59 | 70.5 Ų | 70.5 | 28% | 0.276 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.6 | -36.5 | 174.9 | -173.5 | 67.8 | -123 | 0 | 0 | 112.6 | K233 Y234 R240 | K233-E237 WeakPolarHBondContact O-CB 3.47Å; K233-E237 PolarHBondContact O-N 2.82Å; Y234-E237 PolarHBondContact O-N 3.5Å; E237-R240 IonicContact OE1-CZ 3.04Å; E237-R240 IonicContact OE1-NE 3.57Å; E237-R240 IonicContact OE1-NH2 3.72Å; E237-R240 PolarHBondContact OE1-NH2 3.36Å; E237-R240 IonicContact OE2-CZ 3.15Å; E237-R240 IonicContact OE2-NH2 3.73Å; E237-R240 PolarHBondContact OE2-NH2 3.02Å |
| 238 | R | 89.1 | Confident | 89 | Confident | 59 Ų | 59 | 73.2 Ų | 73.2 | 22% | 0.223 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 172.4 | 178.6 | 178.9 | 79.2 | 164.1 | 6.5 | 110.7 | D52 Y234 H235 R260 | D52-R238 IonicContact OD1-CZ 3.87Å; D52-R238 IonicContact OD1-NH1 3.9Å; D52-R238 PolarHBondContact OD1-NH1 3.46Å; D52-R238 IonicContact OD1-NH2 3.51Å; D52-R238 PolarHBondContact OD1-NH2 3.26Å; D52-R238 IonicContact OD2-CZ 2.76Å; D52-R238 IonicContact OD2-NH1 3.24Å; D52-R238 PolarHBondContact OD2-NH1 2.97Å; D52-R238 IonicContact OD2-NH2 4Å; Y234-R238 WeakPolarHBondContact O-CB 3.49Å; Y234-R238 PolarHBondContact O-N 3.05Å; H235-R238 PolarHBondContact ND1-NH2 2.86Å; H235-R238 WeakPolarHBondContact O-CB 3.39Å; H235-R238 PolarHBondContact O-N 2.92Å; R238-R260 HydrophobicContact CG-CG 4.41Å |
| 239 | H | 90.6 | Very high | 88.8 | Confident | 44 Ų | 44 | 71.4 Ų | 71.4 | 20% | 0.204 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 178.2 | 175.7 | 74 | 0 | 0 | 0 | 112.2 | C226 F230 H235 M236 R241 T242 H243 | C226-H239 PolarHBondContact SG-NE2 3.12Å; F230-H239 HydrophobicContact CE1-CB 4.01Å; F230-H239 HydrophobicContact CE2-CB 4.16Å; F230-H239 AromaticContact CE2-CD2 3.8Å; F230-H239 HydrophobicContact CZ-CB 3.55Å; F230-H239 AromaticContact CZ-CD2 3.53Å; F230-H239 AromaticContact CZ-CG 3.4Å; F230-H239 VanDerWaalsContact CZ-CG 3.4Å; F230-H239 AromaticContact CZ-ND1 3.98Å; H235-H239 WeakPolarHBondContact O-CB 3.41Å; H235-H239 PolarHBondContact O-N 3.07Å; M236-H239 PolarHBondContact O-N 3.47Å; H239-R241 PolarHBondContact O-N 2.86Å; H239-T242 WeakPolarHBondContact O-CB 3.37Å; H239-T242 PolarHBondContact O-N 2.99Å; H239-T242 PolarHBondContact O-OG1 2.98Å; H239-H243 AromaticContact CD2-NE2 3.62Å; H239-H243 AromaticContact CE1-CE1 3.9Å; H239-H243 AromaticContact CE1-NE2 3.78Å; H239-H243 AromaticContact NE2-CE1 3.57Å; H239-H243 AromaticContact NE2-NE2 3.05Å; H239-H243 PolarHBondContact NE2-NE2 2.97Å |
| 240 | R | 89.3 | Confident | 88.7 | Confident | 88 Ų | 88 | 68.3 Ų | 68.3 | 33% | 0.332 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -55.3 | -28.4 | 179.2 | -172.6 | 169.1 | 61.7 | -170.1 | -2.4 | 113.9 | E225 M236 E237 T242 H243 S244 | E225-R240 WeakPolarHBondContact OE1-CD 3.22Å; E225-R240 WeakPolarHBondContact OE1-CG 3.14Å; M236-R240 PolarHBondContact O-N 3.3Å; E237-R240 IonicContact OE1-CZ 3.04Å; E237-R240 IonicContact OE1-NE 3.57Å; E237-R240 IonicContact OE1-NH2 3.72Å; E237-R240 PolarHBondContact OE1-NH2 3.36Å; E237-R240 IonicContact OE2-CZ 3.15Å; E237-R240 IonicContact OE2-NH2 3.73Å; E237-R240 PolarHBondContact OE2-NH2 3.02Å; R240-T242 PolarHBondContact O-N 2.94Å; R240-H243 PolarHBondContact O-N 2.83Å; R240-S244 PolarHBondContact O-N 3.5Å |
| 241 | R | 88.6 | Confident | 88.7 | Confident | 67 Ų | 67 | 66.3 Ų | 66.3 | 25% | 0.253 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.6 | -10.7 | 175.2 | -60.5 | -176.2 | -163.4 | 141.5 | 11.8 | 114.8 | H239 G245 E246 | H239-R241 PolarHBondContact O-N 2.86Å; R241-G245 PolarHBondContact O-N 2.92Å; R241-E246 HydrophobicContact CB-CB 4.48Å; R241-E246 PolarHBondContact O-N 3.31Å |
| 242 | T | 88.5 | Confident | 88.6 | Confident | 76 Ų | 76 | 69.2 Ų | 69.2 | 47% | 0.466 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -71.6 | -40.5 | 168.6 | 65.2 | 0 | 0 | 0 | 0 | 110.2 | H239 R240 G245 | H239-T242 WeakPolarHBondContact O-CB 3.37Å; H239-T242 PolarHBondContact O-N 2.99Å; H239-T242 PolarHBondContact O-OG1 2.98Å; R240-T242 PolarHBondContact O-N 2.94Å; T242-G245 PolarHBondContact O-N 2.94Å |
| 243 | H | 87.2 | Confident | 88.4 | Confident | 77 Ų | 77 | 72.8 Ų | 72.8 | 36% | 0.356 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72.7 | -45.8 | 178.9 | -52.5 | -40.4 | 0 | 0 | 0 | 112.2 | E225 C226 H239 R240 G245 | E225-H243 WeakPolarHBondContact OE2-CB 3.43Å; E225-H243 IonicContact OE2-CD2 3.58Å; E225-H243 IonicContact OE2-CG 2.65Å; C226-H243 PolarHBondContact SG-NE2 3.19Å; H239-H243 AromaticContact CD2-NE2 3.62Å; H239-H243 AromaticContact CE1-CE1 3.9Å; H239-H243 AromaticContact CE1-NE2 3.78Å; H239-H243 AromaticContact NE2-CE1 3.57Å; H239-H243 AromaticContact NE2-NE2 3.05Å; H239-H243 PolarHBondContact NE2-NE2 2.97Å; R240-H243 PolarHBondContact O-N 2.83Å; H243-G245 PolarHBondContact O-N 3.34Å |
| 244 | S | 84.2 | Confident | 88.3 | Confident | 59 Ų | 59 | 68.8 Ų | 68.8 | 41% | 0.413 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -72 | -9.6 | 176.1 | 75.1 | 0 | 0 | 0 | 0 | 113.8 | R240 E246 | R240-S244 PolarHBondContact O-N 3.5Å; S244-E246 PolarHBondContact O-N 3.01Å; S244-E246 VanDerWaalsContact O-N 3.09Å; S244-E246 WeakPolarHBondContact OG-CG 3.44Å; S244-E246 PolarHBondContact OG-OE1 3Å |
| 245 | G | 85.1 | Confident | 88.2 | Confident | 43 Ų | 43 | 69.4 Ų | 69.4 | 44% | 0.443 | 34% | 0.344 | S | S | . | . | | | trans | 64.3 | 9.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R241 T242 H243 K247 | R241-G245 PolarHBondContact O-N 2.92Å; T242-G245 PolarHBondContact O-N 2.94Å; H243-G245 PolarHBondContact O-N 3.34Å; G245-K247 PolarHBondContact O-N 3.22Å |
| 246 | E | 84 | Confident | 88 | Confident | 104 Ų | 104 | 73 Ų | 73 | 49% | 0.486 | 36% | 0.361 | S | S | . | . | | | trans | -61.3 | 120.9 | -173.7 | -87.1 | 173.7 | -119.9 | 0 | 0 | 112.3 | R241 S244 P248 S259 | R241-E246 HydrophobicContact CB-CB 4.48Å; R241-E246 PolarHBondContact O-N 3.31Å; S244-E246 PolarHBondContact O-N 3.01Å; S244-E246 VanDerWaalsContact O-N 3.09Å; S244-E246 WeakPolarHBondContact OG-CG 3.44Å; S244-E246 PolarHBondContact OG-OE1 3Å; E246-P248 VanDerWaalsContact O-CD 3.27Å; E246-P248 WeakPolarHBondContact O-CD 3.49Å; E246-S259 VanDerWaalsContact O-CA 3.27Å; E246-S259 WeakPolarHBondContact O-CA 3.41Å; E246-S259 WeakPolarHBondContact O-CB 3.38Å |
| 247 | K | 84.7 | Confident | 87.8 | Confident | 126 Ų | 126 | 78.5 Ų | 78.5 | 55% | 0.548 | 38% | 0.382 | S | S | . | . | | | trans | -119.7 | 64.6 | 178.5 | -68.7 | 169.7 | -173.9 | 175.9 | 0 | 111.7 | G245 Y249 F258 | G245-K247 PolarHBondContact O-N 3.22Å; K247-Y249 PolarHBondContact O-N 3.17Å; K247-F258 CarbonylContact C-O 3.55Å; K247-F258 VanDerWaalsContact C-O 3.23Å; K247-F258 VanDerWaalsContact CA-O 3.26Å; K247-F258 WeakPolarHBondContact CA-O 3.5Å |
| 248 | P | 85 | Confident | 87.8 | Confident | 77 Ų | 77 | 77.7 Ų | 77.7 | 50% | 0.5 | 38% | 0.377 | S | S | . | . | | | trans | -74.9 | -3.8 | -170.6 | 32.6 | -37.7 | 0 | 0 | 0 | 114.5 | E246 | E246-P248 VanDerWaalsContact O-CD 3.27Å; E246-P248 WeakPolarHBondContact O-CD 3.49Å |
| 249 | Y | 87.3 | Confident | 87.6 | Confident | 80 Ų | 80 | 76.6 Ų | 76.6 | 31% | 0.314 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 116.8 | -177.1 | -50.3 | -67.4 | 0 | 0 | 0 | 110.9 | K247 Y257 F258 S259 T261 V264 | K247-Y249 PolarHBondContact O-N 3.17Å; Y249-Y257 CarbonylContact O-C 3.49Å; Y249-Y257 WeakPolarHBondContact O-CA 3.26Å; Y249-F258 PolarHBondContact N-O 3.32Å; Y249-F258 PolarHBondContact O-N 3.29Å; Y249-S259 WeakPolarHBondContact CE2-O 3.46Å; Y249-T261 HydrophobicContact CD1-CG2 3.77Å; Y249-T261 HydrophobicContact CD2-CG2 4.13Å; Y249-T261 HydrophobicContact CE1-CG2 3.45Å; Y249-T261 VanDerWaalsContact CE1-CG2 3.45Å; Y249-T261 HydrophobicContact CE2-CG2 3.84Å; Y249-T261 HydrophobicContact CG-CG2 4.1Å; Y249-T261 VanDerWaalsContact CZ-CG2 3.49Å; Y249-V264 VanDerWaalsContact CB-CG2 3.44Å |
| 250 | Q | 91.1 | Very high | 87.5 | Confident | 76 Ų | 76 | 76 Ų | 76 | 36% | 0.355 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 148.8 | 178.9 | -161.2 | 178.5 | 24 | 0 | 0 | 111.6 | H255 Q256 Y257 | Q250-H255 WeakPolarHBondContact CG-O 3.45Å; Q250-H255 PolarHBondContact NE2-O 2.94Å; Q250-Q256 CarbonylContact C-O 3.54Å; Q250-Q256 WeakPolarHBondContact CA-O 3.49Å; Q250-Y257 HydrophobicContact CB-CD1 3.84Å; Q250-Y257 HydrophobicContact CB-CE1 3.86Å; Q250-Y257 HydrophobicContact CG-CD1 3.87Å; Q250-Y257 HydrophobicContact CG-CE1 3.71Å; Q250-Y257 HydrophobicContact CG-CE2 4.43Å; Q250-Y257 HydrophobicContact CG-CG 4.3Å; Q250-Y257 PolarHBondContact NE2-OH 3.46Å; Q250-Y257 VanDerWaalsContact NE2-OH 3.14Å |
| 251 | C | 91.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 38% | 0.381 | C | S | . | . | | | trans | -88.1 | 121.8 | 170 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | Y253 C254 H255 Q256 F258 H267 | C251-Y253 PolarHBondContact O-N 3.25Å; C251-C254 PolarHBondContact O-N 3.04Å; C251-H255 WeakPolarHBondContact O-CA 3.41Å; C251-H255 PolarHBondContact O-N 3.32Å; C251-Q256 PolarHBondContact N-O 2.78Å; C251-F258 HydrophobicContact CB-CE2 4.2Å; C251-H267 PolarHBondContact SG-CD2 3.07Å |
| 252 | D | 88.9 | Confident | 87.4 | Confident | 96 Ų | 96 | 74.2 Ų | 74.2 | 51% | 0.513 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -23.6 | -179.7 | -45.9 | -54.1 | 0 | 0 | 0 | 114.7 | R268 | D252-R268 WeakPolarHBondContact OD2-CD 3.43Å; D252-R268 IonicContact OD2-CZ 3.9Å; D252-R268 IonicContact OD2-NE 2.36Å; D252-R268 IonicContact OD2-NH1 3.83Å; D252-R268 PolarHBondContact OD2-NH1 3.21Å |
| 253 | Y | 86.3 | Confident | 87.5 | Confident | 105 Ų | 105 | 75.5 Ų | 75.5 | 41% | 0.412 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -14.7 | -171.1 | -63 | -46.1 | 0 | 0 | 0 | 115.5 | C251 R268 C271 R272 | C251-Y253 PolarHBondContact O-N 3.25Å; Y253-R268 HydrophobicContact CD2-CG 3.66Å; Y253-R268 HydrophobicContact CE2-CG 3.55Å; Y253-C271 HydrophobicContact CD2-CB 4.17Å; Y253-R272 HydrophobicContact CD2-CB 4.37Å; Y253-R272 HydrophobicContact CE2-CB 3.81Å; Y253-R272 HydrophobicContact CE2-CG 4.34Å |
| 254 | C | 88.4 | Confident | 87.7 | Confident | 47 Ų | 47 | 72.4 Ų | 72.4 | 32% | 0.318 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.5 | 1.5 | -175.6 | 71.5 | 0 | 0 | 0 | 0 | 113.7 | C251 Q256 H267 | C251-C254 PolarHBondContact O-N 3.04Å; C254-Q256 PolarHBondContact O-N 3.05Å; C254-H267 PolarHBondContact SG-NE2 2.88Å |
| 255 | H | 88.1 | Confident | 88 | Confident | 121 Ų | 121 | 74.3 Ų | 74.3 | 56% | 0.56 | 37% | 0.367 | S | S | * | . | | | trans | 60 | 9.6 | 176.6 | -54.7 | -61.7 | 0 | 0 | 0 | 116.5 | Q250 C251 Y257 | Q250-H255 WeakPolarHBondContact CG-O 3.45Å; Q250-H255 PolarHBondContact NE2-O 2.94Å; C251-H255 WeakPolarHBondContact O-CA 3.41Å; C251-H255 PolarHBondContact O-N 3.32Å; H255-Y257 WeakPolarHBondContact O-CD2 3.45Å; H255-Y257 WeakPolarHBondContact O-CE2 3.37Å |
| 256 | Q | 87.4 | Confident | 88.3 | Confident | 106 Ų | 106 | 78.3 Ų | 78.3 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | | | trans | -67.5 | 145.7 | 172.1 | -70.7 | -174.5 | -11.1 | 0 | 0 | 111.7 | Q250 C251 C254 F258 H267 | Q250-Q256 CarbonylContact C-O 3.54Å; Q250-Q256 WeakPolarHBondContact CA-O 3.49Å; C251-Q256 PolarHBondContact N-O 2.78Å; C254-Q256 PolarHBondContact O-N 3.05Å; Q256-F258 HydrophobicContact CB-CE2 3.65Å; Q256-F258 HydrophobicContact CB-CZ 3.95Å; Q256-F258 WeakPolarHBondContact O-CE2 3.48Å; Q256-H267 PolarHBondContact OE1-CE1 3.43Å |
| 257 | Y | 89.4 | Confident | 88.6 | Confident | 139 Ų | 139 | 74.7 Ų | 74.7 | 55% | 0.545 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 142.1 | -176.7 | -63.5 | -91.4 | 0 | 0 | 0 | 111.9 | Y249 Q250 H255 | Y249-Y257 CarbonylContact O-C 3.49Å; Y249-Y257 WeakPolarHBondContact O-CA 3.26Å; Q250-Y257 HydrophobicContact CB-CD1 3.84Å; Q250-Y257 HydrophobicContact CB-CE1 3.86Å; Q250-Y257 HydrophobicContact CG-CD1 3.87Å; Q250-Y257 HydrophobicContact CG-CE1 3.71Å; Q250-Y257 HydrophobicContact CG-CE2 4.43Å; Q250-Y257 HydrophobicContact CG-CG 4.3Å; Q250-Y257 PolarHBondContact NE2-OH 3.46Å; Q250-Y257 VanDerWaalsContact NE2-OH 3.14Å; H255-Y257 WeakPolarHBondContact O-CD2 3.45Å; H255-Y257 WeakPolarHBondContact O-CE2 3.37Å |
| 258 | F | 88.5 | Confident | 88.9 | Confident | 41 Ų | 41 | 73.4 Ų | 73.4 | 18% | 0.18 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 153 | -175.1 | -54.8 | -103.1 | 0 | 0 | 0 | 111.7 | K247 Y249 C251 Q256 R263 V264 H267 | K247-F258 CarbonylContact C-O 3.55Å; K247-F258 VanDerWaalsContact C-O 3.23Å; K247-F258 VanDerWaalsContact CA-O 3.26Å; K247-F258 WeakPolarHBondContact CA-O 3.5Å; Y249-F258 PolarHBondContact N-O 3.32Å; Y249-F258 PolarHBondContact O-N 3.29Å; C251-F258 HydrophobicContact CB-CE2 4.2Å; Q256-F258 HydrophobicContact CB-CE2 3.65Å; Q256-F258 HydrophobicContact CB-CZ 3.95Å; Q256-F258 WeakPolarHBondContact O-CE2 3.48Å; F258-R263 HydrophobicContact CD1-CB 4.38Å; F258-V264 HydrophobicContact CB-CG2 3.59Å; F258-V264 HydrophobicContact CD2-CG2 3.59Å; F258-V264 HydrophobicContact CG-CG2 3.8Å; F258-H267 HydrophobicContact CE1-CB 4.33Å; F258-H267 HydrophobicContact CZ-CB 4.02Å; F258-H267 AromaticContact CZ-CD2 3.79Å; F258-H267 AromaticContact CZ-CE1 3.79Å; F258-H267 AromaticContact CZ-CG 3.51Å; F258-H267 AromaticContact CZ-ND1 3.51Å; F258-H267 AromaticContact CZ-NE2 3.99Å |
| 259 | S | 86.8 | Confident | 89.1 | Confident | 36 Ų | 36 | 78.2 Ų | 78.2 | 25% | 0.252 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -83.1 | -19.2 | -178.1 | 53.1 | 0 | 0 | 0 | 0 | 114.8 | E246 Y249 | E246-S259 VanDerWaalsContact O-CA 3.27Å; E246-S259 WeakPolarHBondContact O-CA 3.41Å; E246-S259 WeakPolarHBondContact O-CB 3.38Å; Y249-S259 WeakPolarHBondContact CE2-O 3.46Å |
| 260 | R | 87.2 | Confident | 89.2 | Confident | 33 Ų | 33 | 78.3 Ų | 78.3 | 13% | 0.125 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -126.4 | 143.9 | -178.5 | -56.6 | 164.3 | 48.6 | 146.2 | -1.5 | 111.8 | D52 D55 R238 D262 R263 V264 | D52-R260 IonicContact OD2-CZ 2.76Å; D52-R260 IonicContact OD2-NH1 3.69Å; D52-R260 PolarHBondContact OD2-NH1 3.43Å; D52-R260 VanDerWaalsContact OD2-NH1 3.15Å; D52-R260 IonicContact OD2-NH2 2.76Å; D52-R260 PolarHBondContact OD2-NH2 3.24Å; D55-R260 IonicContact OD2-NH1 3.69Å; R238-R260 HydrophobicContact CG-CG 4.41Å; R260-D262 WeakPolarHBondContact CB-OD1 3.13Å; R260-D262 IonicContact CZ-OD1 3.57Å; R260-D262 IonicContact CZ-OD2 3.36Å; R260-D262 IonicContact NE-OD1 2.73Å; R260-D262 PolarHBondContact NE-OD1 3Å; R260-D262 IonicContact NE-OD2 3.42Å; R260-D262 IonicContact NH2-OD1 2.81Å; R260-D262 PolarHBondContact NH2-OD1 3.23Å; R260-D262 IonicContact NH2-OD2 2.72Å; R260-D262 PolarHBondContact NH2-OD2 2.95Å; R260-R263 HydrophobicContact CB-CB 4.42Å; R260-R263 HydrophobicContact CB-CG 3.98Å; R260-V264 PolarHBondContact O-N 2.76Å |
| 261 | T | 88.6 | Confident | 88.9 | Confident | 75 Ų | 75 | 75.7 Ų | 75.7 | 46% | 0.46 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 178.8 | 44 | 0 | 0 | 0 | 0 | 113.3 | Y249 R263 V264 L265 | Y249-T261 HydrophobicContact CD1-CG2 3.77Å; Y249-T261 HydrophobicContact CD2-CG2 4.13Å; Y249-T261 HydrophobicContact CE1-CG2 3.45Å; Y249-T261 VanDerWaalsContact CE1-CG2 3.45Å; Y249-T261 HydrophobicContact CE2-CG2 3.84Å; Y249-T261 HydrophobicContact CG-CG2 4.1Å; Y249-T261 VanDerWaalsContact CZ-CG2 3.49Å; T261-R263 VanDerWaalsContact C-N 3.33Å; T261-R263 PolarHBondContact O-N 2.76Å; T261-V264 PolarHBondContact O-N 2.95Å; T261-L265 WeakPolarHBondContact O-CG 3.37Å; T261-L265 PolarHBondContact O-N 3.35Å |
| 262 | D | 88.2 | Confident | 88.7 | Confident | 42 Ų | 42 | 84 Ų | 84 | 23% | 0.225 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61 | -42 | 179.4 | 70.1 | -50.9 | 0 | 0 | 0 | 111.5 | R260 V264 L265 K266 | R260-D262 WeakPolarHBondContact CB-OD1 3.13Å; R260-D262 IonicContact CZ-OD1 3.57Å; R260-D262 IonicContact CZ-OD2 3.36Å; R260-D262 IonicContact NE-OD1 2.73Å; R260-D262 PolarHBondContact NE-OD1 3Å; R260-D262 IonicContact NE-OD2 3.42Å; R260-D262 IonicContact NH2-OD1 2.81Å; R260-D262 PolarHBondContact NH2-OD1 3.23Å; R260-D262 IonicContact NH2-OD2 2.72Å; R260-D262 PolarHBondContact NH2-OD2 2.95Å; D262-V264 PolarHBondContact O-N 3.43Å; D262-L265 PolarHBondContact O-N 3.28Å; D262-K266 WeakPolarHBondContact O-CB 3.21Å; D262-K266 WeakPolarHBondContact O-CG 3.33Å; D262-K266 PolarHBondContact O-N 3.24Å |
| 263 | R | 89.6 | Confident | 88.4 | Confident | 102 Ų | 102 | 83.7 Ų | 83.7 | 39% | 0.385 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 175.9 | -56.7 | -66.9 | -171.2 | 177 | -1.1 | 110.6 | D55 F258 R260 T261 H267 | D55-R263 IonicContact OD2-CZ 3.45Å; D55-R263 IonicContact OD2-NH2 2.74Å; D55-R263 PolarHBondContact OD2-NH2 2.98Å; F258-R263 HydrophobicContact CD1-CB 4.38Å; R260-R263 HydrophobicContact CB-CB 4.42Å; R260-R263 HydrophobicContact CB-CG 3.98Å; T261-R263 VanDerWaalsContact C-N 3.33Å; T261-R263 PolarHBondContact O-N 2.76Å; R263-H267 WeakPolarHBondContact O-CB 3.32Å; R263-H267 PolarHBondContact O-N 3.37Å |
| 264 | V | 91.6 | Very high | 88 | Confident | 13 Ų | 13 | 85.3 Ų | 85.3 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 171.2 | -178.3 | 0 | 0 | 0 | 0 | 112.4 | Y249 F258 R260 T261 D262 H267 R268 | Y249-V264 VanDerWaalsContact CB-CG2 3.44Å; F258-V264 HydrophobicContact CB-CG2 3.59Å; F258-V264 HydrophobicContact CD2-CG2 3.59Å; F258-V264 HydrophobicContact CG-CG2 3.8Å; R260-V264 PolarHBondContact O-N 2.76Å; T261-V264 PolarHBondContact O-N 2.95Å; D262-V264 PolarHBondContact O-N 3.43Å; V264-H267 CarbonylContact O-C 3.55Å; V264-H267 PolarHBondContact O-N 2.9Å; V264-R268 WeakPolarHBondContact O-CB 3.33Å; V264-R268 PolarHBondContact O-N 3.14Å |
| 265 | L | 91 | Very high | 87.5 | Confident | 98 Ų | 98 | 89.6 Ų | 89.6 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | -176.9 | -70.1 | 171.7 | 0 | 0 | 0 | 111.9 | T261 D262 R268 R269 | T261-L265 WeakPolarHBondContact O-CG 3.37Å; T261-L265 PolarHBondContact O-N 3.35Å; D262-L265 PolarHBondContact O-N 3.28Å; L265-R268 PolarHBondContact O-N 2.65Å; L265-R269 PolarHBondContact O-N 2.68Å; L265-R269 VanDerWaalsContact O-N 3.15Å |
| 266 | K | 90.1 | Very high | 86.9 | Confident | 127 Ų | 127 | 86.5 Ų | 86.5 | 55% | 0.552 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.6 | -46.8 | 171.1 | -71.8 | 173.7 | 177.8 | 175.4 | 0 | 110.7 | D262 R269 M270 | D262-K266 WeakPolarHBondContact O-CB 3.21Å; D262-K266 WeakPolarHBondContact O-CG 3.33Å; D262-K266 PolarHBondContact O-N 3.24Å; K266-R269 WeakPolarHBondContact O-CB 3.47Å; K266-R269 PolarHBondContact O-N 3.42Å; K266-M270 PolarHBondContact O-N 3.43Å |
| 267 | H | 90.6 | Very high | 85.9 | Confident | 28 Ų | 28 | 87.8 Ų | 87.8 | 13% | 0.13 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.9 | -41 | 177.9 | 176.8 | 97.4 | 0 | 0 | 0 | 113.5 | C251 C254 Q256 F258 R263 V264 R269 M270 C271 | C251-H267 PolarHBondContact SG-CD2 3.07Å; C254-H267 PolarHBondContact SG-NE2 2.88Å; Q256-H267 PolarHBondContact OE1-CE1 3.43Å; F258-H267 HydrophobicContact CE1-CB 4.33Å; F258-H267 HydrophobicContact CZ-CB 4.02Å; F258-H267 AromaticContact CZ-CD2 3.79Å; F258-H267 AromaticContact CZ-CE1 3.79Å; F258-H267 AromaticContact CZ-CG 3.51Å; F258-H267 AromaticContact CZ-ND1 3.51Å; F258-H267 AromaticContact CZ-NE2 3.99Å; R263-H267 WeakPolarHBondContact O-CB 3.32Å; R263-H267 PolarHBondContact O-N 3.37Å; V264-H267 CarbonylContact O-C 3.55Å; V264-H267 PolarHBondContact O-N 2.9Å; H267-R269 VanDerWaalsContact C-N 3.29Å; H267-R269 PolarHBondContact O-N 3.47Å; H267-M270 PolarHBondContact O-N 3.19Å; H267-C271 PolarHBondContact NE2-SG 3.05Å; H267-C271 PolarHBondContact O-N 2.86Å |
| 268 | R | 90.9 | Very high | 84.9 | Confident | 99 Ų | 99 | 89.2 Ų | 89.2 | 37% | 0.374 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64 | -34.7 | 179.1 | -171.5 | 173.7 | 74.4 | 167.6 | 1.8 | 111.6 | D252 Y253 V264 L265 R272 | D252-R268 WeakPolarHBondContact OD2-CD 3.43Å; D252-R268 IonicContact OD2-CZ 3.9Å; D252-R268 IonicContact OD2-NE 2.36Å; D252-R268 IonicContact OD2-NH1 3.83Å; D252-R268 PolarHBondContact OD2-NH1 3.21Å; Y253-R268 HydrophobicContact CD2-CG 3.66Å; Y253-R268 HydrophobicContact CE2-CG 3.55Å; V264-R268 WeakPolarHBondContact O-CB 3.33Å; V264-R268 PolarHBondContact O-N 3.14Å; L265-R268 PolarHBondContact O-N 2.65Å; R268-R272 WeakPolarHBondContact O-CB 3.07Å; R268-R272 PolarHBondContact O-N 3.06Å |
| 269 | R | 89.8 | Confident | 83.8 | Confident | 178 Ų | 178 | 91.8 Ų | 91.8 | 67% | 0.672 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60 | -56.1 | 170.7 | -165.7 | -171.5 | -67 | -166 | 0.2 | 110.4 | L265 K266 H267 C271 R272 E273 | L265-R269 PolarHBondContact O-N 2.68Å; L265-R269 VanDerWaalsContact O-N 3.15Å; K266-R269 WeakPolarHBondContact O-CB 3.47Å; K266-R269 PolarHBondContact O-N 3.42Å; H267-R269 VanDerWaalsContact C-N 3.29Å; H267-R269 PolarHBondContact O-N 3.47Å; R269-C271 VanDerWaalsContact C-N 3.33Å; R269-C271 PolarHBondContact O-N 3.42Å; R269-R272 WeakPolarHBondContact O-CB 3.46Å; R269-R272 PolarHBondContact O-N 3.01Å; R269-R272 VanDerWaalsContact O-N 3.08Å; R269-E273 VanDerWaalsContact CG-OE1 3.31Å; R269-E273 WeakPolarHBondContact CG-OE1 3.3Å; R269-E273 WeakPolarHBondContact O-CG 3.5Å; R269-E273 PolarHBondContact O-N 3.04Å |
| 270 | M | 88.7 | Confident | 82.7 | Confident | 83 Ų | 83 | 93.1 Ų | 93.1 | 41% | 0.409 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.1 | -38.7 | 177.5 | -68.2 | -172.2 | -73.4 | 0 | 0 | 113.8 | K266 H267 E273 R274 | K266-M270 PolarHBondContact O-N 3.43Å; H267-M270 PolarHBondContact O-N 3.19Å; M270-E273 WeakPolarHBondContact CA-OE2 3.38Å; M270-E273 PolarHBondContact O-N 3.42Å; M270-R274 WeakPolarHBondContact O-CB 3.15Å; M270-R274 VanDerWaalsContact O-CG 3.24Å; M270-R274 WeakPolarHBondContact O-CG 3.42Å; M270-R274 PolarHBondContact O-N 2.94Å |
| 271 | C | 86.3 | Confident | 81.4 | Confident | 21 Ų | 21 | 94.3 Ų | 94.3 | 14% | 0.142 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -69.1 | -35.5 | 176.7 | -88 | 0 | 0 | 0 | 0 | 112.7 | Y253 H267 R269 K275 | Y253-C271 HydrophobicContact CD2-CB 4.17Å; H267-C271 PolarHBondContact NE2-SG 3.05Å; H267-C271 PolarHBondContact O-N 2.86Å; R269-C271 VanDerWaalsContact C-N 3.33Å; R269-C271 PolarHBondContact O-N 3.42Å; C271-K275 WeakPolarHBondContact O-CB 3.36Å; C271-K275 PolarHBondContact O-N 3.15Å |
| 272 | R | 85.8 | Confident | 79.8 | Confident | 173 Ų | 173 | 94.5 Ų | 94.5 | 65% | 0.653 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.2 | -45.1 | 173.3 | -171.3 | 175.3 | 177.2 | 175.8 | -1 | 111.4 | Y253 R268 R269 K275 A276 | Y253-R272 HydrophobicContact CD2-CB 4.37Å; Y253-R272 HydrophobicContact CE2-CB 3.81Å; Y253-R272 HydrophobicContact CE2-CG 4.34Å; R268-R272 WeakPolarHBondContact O-CB 3.07Å; R268-R272 PolarHBondContact O-N 3.06Å; R269-R272 WeakPolarHBondContact O-CB 3.46Å; R269-R272 PolarHBondContact O-N 3.01Å; R269-R272 VanDerWaalsContact O-N 3.08Å; R272-K275 PolarHBondContact O-N 3.15Å; R272-A276 PolarHBondContact O-N 2.87Å |
| 273 | E | 82.3 | Confident | 78.3 | Confident | 91 Ų | 91 | 95.4 Ų | 95.4 | 43% | 0.425 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -50.9 | 177.1 | -69.7 | 156.8 | 176.4 | 0 | 0 | 111.2 | R269 M270 K275 A276 H277 | R269-E273 VanDerWaalsContact CG-OE1 3.31Å; R269-E273 WeakPolarHBondContact CG-OE1 3.3Å; R269-E273 WeakPolarHBondContact O-CG 3.5Å; R269-E273 PolarHBondContact O-N 3.04Å; M270-E273 WeakPolarHBondContact CA-OE2 3.38Å; M270-E273 PolarHBondContact O-N 3.42Å; E273-K275 VanDerWaalsContact C-N 3.29Å; E273-K275 PolarHBondContact O-N 2.84Å; E273-A276 WeakPolarHBondContact O-CB 3.25Å; E273-A276 PolarHBondContact O-N 2.91Å; E273-A276 VanDerWaalsContact O-N 3.12Å; E273-H277 PolarHBondContact O-CD2 3.12Å; E273-H277 PolarHBondContact O-N 2.76Å |
| 274 | R | 79.4 | Confident | 76.7 | Confident | 139 Ų | 139 | 99.3 Ų | 99.3 | 53% | 0.525 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.8 | -37.5 | 176.2 | -71.6 | 173.9 | -170.7 | -171.4 | 4.1 | 112.6 | M270 K278 | M270-R274 WeakPolarHBondContact O-CB 3.15Å; M270-R274 VanDerWaalsContact O-CG 3.24Å; M270-R274 WeakPolarHBondContact O-CG 3.42Å; M270-R274 PolarHBondContact O-N 2.94Å; R274-K278 WeakPolarHBondContact O-CB 3.45Å; R274-K278 PolarHBondContact O-N 3.28Å |
| 275 | K | 77.1 | Confident | 74.7 | Confident | 137 Ų | 137 | 105.8 Ų | 105.8 | 60% | 0.596 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67 | -43.1 | 175.1 | -170.2 | 171.1 | -178 | 175.2 | 0 | 111.6 | C271 R272 E273 K278 T279 | C271-K275 WeakPolarHBondContact O-CB 3.36Å; C271-K275 PolarHBondContact O-N 3.15Å; R272-K275 PolarHBondContact O-N 3.15Å; E273-K275 VanDerWaalsContact C-N 3.29Å; E273-K275 PolarHBondContact O-N 2.84Å; K275-K278 PolarHBondContact O-N 2.84Å; K275-T279 PolarHBondContact O-N 2.89Å; K275-T279 PolarHBondContact O-OG1 2.95Å |
| 276 | A | 74.5 | Confident | 72.8 | Confident | 55 Ų | 55 | 105 Ų | 105 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.9 | -43.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R272 E273 K278 T279 A280 | R272-A276 PolarHBondContact O-N 2.87Å; E273-A276 WeakPolarHBondContact O-CB 3.25Å; E273-A276 PolarHBondContact O-N 2.91Å; E273-A276 VanDerWaalsContact O-N 3.12Å; A276-K278 PolarHBondContact O-N 3.44Å; A276-T279 WeakPolarHBondContact CA-OG1 3.5Å; A276-T279 PolarHBondContact O-N 3.21Å; A276-T279 PolarHBondContact O-OG1 3.33Å; A276-A280 WeakPolarHBondContact O-CB 3.36Å; A276-A280 PolarHBondContact O-N 3.39Å |
| 277 | H | 67.9 | Low | 70.8 | Confident | 134 Ų | 134 | 102 Ų | 102 | 62% | 0.62 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.7 | -37.1 | 173.8 | -69.6 | -62.7 | 0 | 0 | 0 | 112.5 | E273 A280 A281 | E273-H277 PolarHBondContact O-CD2 3.12Å; E273-H277 PolarHBondContact O-N 2.76Å; H277-A280 PolarHBondContact O-N 3.32Å; H277-A281 WeakPolarHBondContact O-CB 3.44Å; H277-A281 PolarHBondContact O-N 3.05Å |
| 278 | K | 68.1 | Low | 68.4 | Low | 168 Ų | 168 | 108.1 Ų | 108.1 | 73% | 0.73 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.6 | -39.9 | 174.8 | -171.1 | 173.6 | -179.6 | 179.1 | 0 | 112.2 | R274 K275 A276 A282 | R274-K278 WeakPolarHBondContact O-CB 3.45Å; R274-K278 PolarHBondContact O-N 3.28Å; K275-K278 PolarHBondContact O-N 2.84Å; A276-K278 PolarHBondContact O-N 3.44Å; K278-A282 PolarHBondContact O-N 3.36Å |
| 279 | T | 65.9 | Low | 66.3 | Low | 95 Ų | 95 | 110.9 Ų | 110.9 | 58% | 0.583 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.1 | -32.5 | 174 | 45.3 | 0 | 0 | 0 | 0 | 113.1 | K275 A276 | K275-T279 PolarHBondContact O-N 2.89Å; K275-T279 PolarHBondContact O-OG1 2.95Å; A276-T279 WeakPolarHBondContact CA-OG1 3.5Å; A276-T279 PolarHBondContact O-N 3.21Å; A276-T279 PolarHBondContact O-OG1 3.33Å |
| 280 | A | 62.9 | Low | 63.8 | Low | 64 Ų | 64 | 107 Ų | 107 | 53% | 0.529 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -72.3 | -33.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A276 H277 G283 | A276-A280 WeakPolarHBondContact O-CB 3.36Å; A276-A280 PolarHBondContact O-N 3.39Å; H277-A280 PolarHBondContact O-N 3.32Å; A280-G283 PolarHBondContact O-N 3.13Å |
| 281 | A | 59.2 | Low | 61.6 | Low | 59 Ų | 59 | 110.7 Ų | 110.7 | 49% | 0.488 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67 | -45.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | H277 G283 K284 | H277-A281 WeakPolarHBondContact O-CB 3.44Å; H277-A281 PolarHBondContact O-N 3.05Å; A281-G283 PolarHBondContact O-N 3.19Å; A281-K284 PolarHBondContact O-N 2.95Å; A281-K284 VanDerWaalsContact O-N 3.09Å |
| 282 | A | 56.1 | Low | 59.2 | Low | 78 Ų | 78 | 116.2 Ų | 116.2 | 65% | 0.645 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -14.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | K278 | K278-A282 PolarHBondContact O-N 3.36Š|
| 283 | G | 56.2 | Low | 57 | Low | 62 Ų | 62 | 117.1 Ų | 117.1 | 64% | 0.639 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 3.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A280 A281 | A280-G283 PolarHBondContact O-N 3.13Å; A281-G283 PolarHBondContact O-N 3.19Å |
| 284 | K | 55.8 | Low | 54.7 | Low | 183 Ų | 183 | 118.1 Ų | 118.1 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | -25.1 | 179.9 | -74 | -162.5 | 170.4 | -167.6 | 0 | 115.3 | A281 G286 | A281-K284 PolarHBondContact O-N 2.95Å; A281-K284 VanDerWaalsContact O-N 3.09Å; K284-G286 PolarHBondContact O-N 3.4Å |
| 285 | D | 50.1 | Low | 52.6 | Low | 150 Ų | 150 | 119.6 Ų | 119.6 | 80% | 0.802 | 71% | 0.713 | S | S | * | * | | | trans | -89.6 | 29.3 | 176.5 | -55 | -42 | 0 | 0 | 0 | 111.9 | G287 | D285-G287 PolarHBondContact O-N 2.68Š|
| 286 | G | 51.6 | Low | 50.3 | Low | 81 Ų | 81 | 116.6 Ų | 116.6 | 84% | 0.835 | 72% | 0.72 | S | S | * | * | | | trans | -81.6 | 58 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | K284 | K284-G286 PolarHBondContact O-N 3.4Š|
| 287 | G | 47.1 | Very low | 48.2 | Very low | 64 Ų | 64 | 124.5 Ų | 124.5 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | | | trans | -146.3 | 114.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D285 | D285-G287 PolarHBondContact O-N 2.68Š|
| 288 | L | 40.7 | Very low | 46.4 | Very low | 156 Ų | 156 | 121.6 Ų | 121.6 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 73.5 | 96.1 | 167.2 | -159.6 | 79.5 | 0 | 0 | 0 | 117.9 | | |
| 289 | L | 47.5 | Very low | 44.5 | Very low | 158 Ų | 158 | 122.8 Ų | 122.8 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | | | trans | 58.9 | 148.8 | 140.9 | -53.5 | 177.3 | 0 | 0 | 0 | 119.1 | | |
| 290 | S | 36.8 | Very low | 43.4 | Very low | 97 Ų | 97 | 123.3 Ų | 123.3 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | | | cis | -150.9 | 163.4 | 6.3 | 50.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 291 | D | 41.5 | Very low | 42.3 | Very low | 160 Ų | 160 | 125.3 Ų | 125.3 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | | | trans | -68.2 | 130.8 | 173.1 | -48.8 | -89.7 | 0 | 0 | 0 | 113.4 | | |
| 292 | T | 36.1 | Very low | 41 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | | | trans | -151.7 | 125.3 | 155 | 50.5 | 0 | 0 | 0 | 0 | 110 | | |
| 293 | E | 40.1 | Very low | 39.8 | Very low | 192 Ų | 192 | 135.7 Ų | 135.7 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | | | trans | -85 | 132.5 | 172.9 | -59.8 | 177.9 | 102.2 | 0 | 0 | 111.4 | | |
| 294 | S | 34.5 | Very low | 38.3 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | -170.9 | 119 | 147.1 | -89.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 295 | L | 34.3 | Very low | 37.1 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | | | trans | 33.7 | 97.4 | 133.9 | -58.4 | 175.7 | 0 | 0 | 0 | 119.4 | | |
| 296 | G | 30.3 | Very low | 36.2 | Very low | 73 Ų | 73 | 133.9 Ų | 133.9 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | | 63.1 | 109.1 | 114.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 297 | F | 29 | Very low | 35.2 | Very low | 221 Ų | 221 | 135.3 Ų | 135.3 | 97% | 0.969 | 78% | 0.783 | S | S | * | * | | | trans | -138.6 | 153.5 | 147.8 | -123.6 | -88.8 | 0 | 0 | 0 | 110.4 | | |
| 298 | S | 30.3 | Very low | 34.6 | Very low | 74 Ų | 74 | 142.1 Ų | 142.1 | 52% | 0.517 | 80% | 0.795 | S | S | . | * | | | trans | -127.6 | 155.7 | -176.1 | -170.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 299 | F | 28.1 | Very low | 34.1 | Very low | 193 Ų | 193 | 144.4 Ų | 144.4 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | trans | 68.3 | 163 | 173.5 | -50.5 | -71 | 0 | 0 | 0 | 116.9 | | |
| 300 | P | 42.6 | Very low | 33.2 | Very low | 105 Ų | 105 | 145.8 Ų | 145.8 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | | | cis | -115.5 | 171.3 | -11.8 | 38.2 | -26.4 | 0 | 0 | 0 | 113.2 | K302 | P300-K302 PolarHBondContact O-N 2.82Š|
| 301 | A | 41.2 | Very low | 32.8 | Very low | 106 Ų | 106 | 153.1 Ų | 153.1 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | | | trans | -70.1 | 124.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 302 | K | 30.9 | Very low | 32.3 | Very low | 183 Ų | 183 | 152.8 Ų | 152.8 | 80% | 0.796 | 81% | 0.808 | S | S | * | * | | | trans | -137 | 153.8 | 162 | -75.6 | -165.1 | 177 | -175.8 | 0 | 111.5 | P300 | P300-K302 PolarHBondContact O-N 2.82Š|
| 303 | E | 30.6 | Very low | 31.9 | Very low | 172 Ų | 172 | 155.5 Ų | 155.5 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -45.4 | 122.8 | -170.3 | -60.9 | 153.8 | 129.2 | 0 | 0 | 114.9 | S305 | E303-S305 PolarHBondContact O-N 2.74Š|
| 304 | C | 25.4 | Very low | 31.3 | Very low | 129 Ų | 129 | 152.1 Ų | 152.1 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | | | trans | -78.3 | 66.6 | 166.9 | -79.9 | 0 | 0 | 0 | 0 | 111.5 | L306 | C304-L306 PolarHBondContact O-N 3.09Š|
| 305 | S | 30.4 | Very low | 31 | Very low | 99 Ų | 99 | 152.5 Ų | 152.5 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | | | trans | -63 | 112 | 169 | -66.6 | 0 | 0 | 0 | 0 | 110.2 | E303 | E303-S305 PolarHBondContact O-N 2.74Š|
| 306 | L | 31.1 | Very low | 30.5 | Very low | 129 Ų | 129 | 151.7 Ų | 151.7 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | | | trans | -71.1 | 128.3 | 179.6 | -72.6 | 169.4 | 0 | 0 | 0 | 110.7 | C304 K308 | C304-L306 PolarHBondContact O-N 3.09Å; L306-K308 PolarHBondContact O-N 2.88Å |
| 307 | P | 31 | Very low | 30.7 | Very low | 111 Ų | 111 | 157.6 Ų | 157.6 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | | | trans | -74.1 | 125.6 | -175.2 | 28.3 | -34.4 | 0 | 0 | 0 | 112.1 | K309 | P307-K309 PolarHBondContact O-N 2.82Å; P307-K309 VanDerWaalsContact O-N 3.09Å |
| 308 | K | 33.5 | Very low | 30.6 | Very low | 207 Ų | 207 | 152.4 Ų | 152.4 | 90% | 0.9 | 80% | 0.796 | S | S | * | * | | | trans | -67.8 | 101.4 | 167 | -68.9 | -178.8 | 178.7 | 179 | 0 | 109.2 | L306 K310 | L306-K308 PolarHBondContact O-N 2.88Å; K308-K310 PolarHBondContact O-N 3.48Å |
| 309 | K | 30.8 | Very low | 30.6 | Very low | 205 Ų | 205 | 157.6 Ų | 157.6 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | | | trans | -68.5 | 89 | 173.1 | -80.4 | -167.1 | 173.4 | -173.9 | 0 | 111.2 | P307 R311 | P307-K309 PolarHBondContact O-N 2.82Å; P307-K309 VanDerWaalsContact O-N 3.09Å; K309-R311 PolarHBondContact O-N 3.33Å |
| 310 | K | 29.8 | Very low | 30.4 | Very low | 187 Ų | 187 | 153.9 Ų | 153.9 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | | | trans | -62.2 | 126.7 | 153.1 | -90.2 | -171.4 | 173.2 | -176.8 | 0 | 108.2 | K308 L312 | K308-K310 PolarHBondContact O-N 3.48Å; K310-L312 HydrophobicContact CB-CD1 4.49Å; K310-L312 PolarHBondContact O-N 2.92Å |
| 311 | R | 27.5 | Very low | 29.6 | Very low | 251 Ų | 251 | 152.9 Ų | 152.9 | 95% | 0.947 | 81% | 0.81 | S | S | * | * | | | trans | -81.3 | 88.6 | 171.7 | -177.1 | -178.6 | -175.1 | 174.7 | 0.8 | 108.4 | K309 | K309-R311 PolarHBondContact O-N 3.33Š|
| 312 | L | 30 | Very low | 29 | Very low | 153 Ų | 153 | 155.7 Ų | 155.7 | 80% | 0.801 | 81% | 0.809 | S | S | * | * | | | trans | -80.9 | 146 | 168 | -113.8 | 80.6 | 0 | 0 | 0 | 110.4 | K310 | K310-L312 HydrophobicContact CB-CD1 4.49Å; K310-L312 PolarHBondContact O-N 2.92Å |
| 313 | K | 28.1 | Very low | 28.8 | Very low | 193 Ų | 193 | 152.5 Ų | 152.5 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | trans | -95.3 | 147.9 | 176.1 | -166.2 | 173.5 | 178.6 | -176 | 0 | 109.5 | | |
| 314 | T | 28 | Very low | 28.7 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | | | trans | -44.6 | 137.2 | 178.9 | 47.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 315 | S | 27.2 | Very low | 28.7 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | trans | -128.7 | 116.8 | 145.3 | -175.1 | 0 | 0 | 0 | 0 | 107 | | |
| 316 | D | 25.6 | Very low | 28.6 | Very low | 153 Ų | 153 | 146.9 Ų | 146.9 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -84 | 169.8 | 178.4 | -116.3 | -60.6 | 0 | 0 | 0 | 112 | | |
| 317 | K | 33.5 | Very low | 28.4 | Very low | 197 Ų | 197 | 146.3 Ų | 146.3 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | | | trans | -111.8 | 110.4 | -168 | -170.7 | 178.4 | -176 | 179.8 | 0 | 112.1 | | |
| 318 | S | 26.7 | Very low | 28.3 | Very low | 112 Ų | 112 | 148.8 Ų | 148.8 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | | | trans | -85.7 | 154.8 | 167.7 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 319 | Q | 30.7 | Very low | 28.1 | Very low | 183 Ų | 183 | 144.8 Ų | 144.8 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | | | trans | -77 | 179.7 | -175.1 | -56.7 | 150.4 | -4.2 | 0 | 0 | 110.6 | | |
| 320 | C | 23.7 | Very low | 28 | Very low | 114 Ų | 114 | 141 Ų | 141 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | | | cis | -162.7 | -163.5 | 20.4 | -152.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 321 | A | 26.8 | Very low | 27.9 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | | | trans | 70.4 | 126.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 322 | L | 26.9 | Very low | 27.9 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | | | cis | 91.5 | 102.1 | 32.9 | -70.4 | 170.1 | 0 | 0 | 0 | 114.8 | | |
| 323 | S | 28 | Very low | 27.9 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | | 169.9 | 143.7 | 121.8 | 62 | 0 | 0 | 0 | 0 | 113 | | |
| 324 | A | 27.8 | Very low | 28 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | | | trans | 48.9 | 130.5 | 160 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 325 | A | 26.4 | Very low | 28.2 | Very low | 98 Ų | 98 | 123.7 Ų | 123.7 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | | | cis | 87.5 | 148.9 | 32.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 326 | A | 27.2 | Very low | 28.4 | Very low | 91 Ų | 91 | 125.8 Ų | 125.8 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | trans | 65.6 | 140 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 327 | T | 27.3 | Very low | 28.5 | Very low | 117 Ų | 117 | 121.8 Ų | 121.8 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | | | cis | 146.5 | 133.4 | -20.1 | 39.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 328 | E | 28.6 | Very low | 28.2 | Very low | 162 Ų | 162 | 119.7 Ų | 119.7 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | | | trans | 76.5 | 120 | 146.2 | -73 | -172.5 | -139.6 | 0 | 0 | 123.5 | | |
| 329 | N | 29.3 | Very low | 28.4 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | | | | 85.4 | 120.6 | 118.3 | -69.5 | -23.5 | 0 | 0 | 0 | 124.9 | | |
| 330 | V | 28.9 | Very low | 28.4 | Very low | 124 Ų | 124 | 117.3 Ų | 117.3 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | | | | 79 | 92.5 | 125.3 | -179.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 331 | A | 27.6 | Very low | 28.8 | Very low | 80 Ų | 80 | 120.7 Ų | 120.7 | 66% | 0.661 | 75% | 0.748 | S | S | * | * | | | | 64.6 | 167.8 | 115.6 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 332 | T | 28.1 | Very low | 28.7 | Very low | 135 Ų | 135 | 123.1 Ų | 123.1 | 83% | 0.828 | 75% | 0.745 | S | S | * | * | | | trans | 75.2 | 157.6 | 171.9 | 77.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 333 | V | 30 | Very low | 28.7 | Very low | 134 Ų | 134 | 121 Ų | 121 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | | | cis | -133.6 | 172.3 | 9.2 | -172.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 334 | A | 30.5 | Very low | 28.6 | Very low | 87 Ų | 87 | 122.3 Ų | 122.3 | 72% | 0.719 | 73% | 0.731 | S | S | * | * | | | trans | -69.2 | -168.4 | 167 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 335 | S | 31.7 | Very low | 28.6 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | | | cis | -173 | -170.7 | 30.2 | -159.2 | 0 | 0 | 0 | 0 | 113 | | |
| 336 | L | 31.5 | Very low | 29 | Very low | 167 Ų | 167 | 130.8 Ų | 130.8 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | | | trans | 76.6 | 137.3 | 168.8 | -50.4 | 174.6 | 0 | 0 | 0 | 117.5 | | |
| 337 | G | 27.7 | Very low | 29.2 | Very low | 69 Ų | 69 | 132.9 Ų | 132.9 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | | | cis | 132.3 | 107.4 | -22.3 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 338 | D | 27.2 | Very low | 29 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | | | trans | -146.5 | 120.8 | 157.6 | -102.8 | -65.9 | 0 | 0 | 0 | 105.3 | | |
| 339 | M | 31.2 | Very low | 29 | Very low | 150 Ų | 150 | 133.6 Ų | 133.6 | 74% | 0.739 | 74% | 0.737 | S | S | * | * | | | | 68.4 | 132.7 | 76.9 | -61.2 | -99.1 | 87.2 | 0 | 0 | 113.5 | | |
| 340 | D | 29.6 | Very low | 28.8 | Very low | 96 Ų | 96 | 134 Ų | 134 | 51% | 0.513 | 74% | 0.737 | S | S | . | * | | | cis | -165.6 | 166.8 | -20.3 | -158.4 | 6.5 | 0 | 0 | 0 | 108.9 | | |
| 341 | R | 31.6 | Very low | 28.5 | Very low | 185 Ų | 185 | 137.5 Ų | 137.5 | 70% | 0.698 | 75% | 0.746 | S | S | * | * | | | trans | 64.6 | 153.8 | 149.7 | -79.1 | 173.8 | 151.2 | 91.5 | 9.9 | 122.1 | | |
| 342 | E | 26.3 | Very low | 28.4 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | | | cis | -162 | 158.2 | -26.4 | -128.2 | 179.9 | 140.8 | 0 | 0 | 110.4 | | |
| 343 | V | 25.9 | Very low | 28.4 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | trans | 38.2 | 126.3 | 142.7 | 163.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 344 | E | 26.3 | Very low | 28.5 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | | | cis | -142.4 | -98.8 | -14.5 | -169.7 | -139.7 | 130.4 | 0 | 0 | 110.5 | R346 | E344-R346 PolarHBondContact OE1-N 3.21Å; E344-R346 VanDerWaalsContact OE1-N 3.17Å |
| 345 | Q | 28.4 | Very low | 28.4 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 72% | 0.715 | 74% | 0.74 | S | S | * | * | | | cis | -145.7 | 147 | -20.3 | -165.5 | 134.5 | 86.1 | 0 | 0 | 113.5 | | |
| 346 | R | 33.4 | Very low | 28 | Very low | 217 Ų | 217 | 145 Ų | 145 | 82% | 0.819 | 74% | 0.743 | S | S | * | * | | | trans | -110.6 | 155.5 | 168.3 | -67.3 | 178.8 | 174.2 | 161.3 | -1.2 | 112.5 | E344 | E344-R346 PolarHBondContact OE1-N 3.21Å; E344-R346 VanDerWaalsContact OE1-N 3.17Å |
| 347 | P | 32 | Very low | 27.7 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 88% | 0.877 | 74% | 0.735 | S | S | * | * | | | | -144.2 | 179.3 | 107.5 | 38.4 | -24 | 0 | 0 | 0 | 115.4 | | |
| 348 | S | 23.9 | Very low | 27.6 | Very low | 91 Ų | 91 | 145.2 Ų | 145.2 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | | | trans | -114.6 | 148.5 | -165.5 | 55.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 349 | K | 27 | Very low | 27.7 | Very low | 204 Ų | 204 | 144 Ų | 144 | 89% | 0.887 | 74% | 0.735 | S | S | * | * | | | trans | -149.1 | 131.5 | 142.1 | -82.4 | -175 | 177.5 | -177.9 | 0 | 106.5 | | |
| 350 | I | 25.1 | Very low | 27.7 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 67% | 0.672 | 73% | 0.73 | S | S | * | * | | | cis | 67.2 | 96.2 | 18.8 | -45.9 | 179.5 | 0 | 0 | 0 | 114.2 | | |
| 351 | E | 24.3 | Very low | 27.7 | Very low | 198 Ų | 198 | 145.8 Ų | 145.8 | 93% | 0.925 | 75% | 0.745 | S | S | * | * | | | trans | -150 | 144.6 | 142.3 | -153.3 | 154.1 | -122.3 | 0 | 0 | 107.6 | | |
| 352 | C | 24.1 | Very low | 27.4 | Very low | 102 Ų | 102 | 143.3 Ų | 143.3 | 69% | 0.689 | 75% | 0.75 | S | S | * | * | | | trans | -144 | 137.4 | -158.4 | -63.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 353 | L | 27.7 | Very low | 27.3 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | | | trans | 64 | 151.9 | 158.5 | -64.5 | 167.3 | 0 | 0 | 0 | 116.7 | | |
| 354 | P | 34.2 | Very low | 27.2 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | | | | -109.1 | 154.2 | 73.6 | -7.8 | 29.2 | 0 | 0 | 0 | 114.4 | | |
| 355 | L | 26.7 | Very low | 27.1 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | | | | 65.5 | 134.7 | 72.5 | -51.4 | 177.3 | 0 | 0 | 0 | 113.4 | | |
| 356 | Y | 24.4 | Very low | 27 | Very low | 200 Ų | 200 | 142.9 Ų | 142.9 | 78% | 0.784 | 75% | 0.751 | S | S | * | * | | | cis | -166.3 | -173.4 | 0.6 | -145.1 | -129.7 | 0 | 0 | 0 | 112.2 | | |
| 357 | V | 24.6 | Very low | 26.6 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | | | trans | 72.3 | 114 | 167.4 | 176.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 358 | V | 25.4 | Very low | 26.4 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 74% | 0.739 | 74% | 0.742 | S | S | * | * | | | | 81 | 130.9 | 51.2 | 173.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 359 | T | 28.9 | Very low | 26.5 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | | | cis | -105 | -158.8 | 9.7 | 61.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 360 | S | 32.4 | Very low | 26.4 | Very low | 91 Ų | 91 | 138 Ų | 138 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | | | cis | -159.6 | 171.2 | -9.9 | -132.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 361 | K | 28.3 | Very low | 26.6 | Very low | 192 Ų | 192 | 139.4 Ų | 139.4 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | | | cis | 77 | 144.9 | 18.4 | -60.3 | -173.8 | -179.6 | -177.9 | 0 | 114.7 | | |
| 362 | V | 25.5 | Very low | 26.7 | Very low | 133 Ų | 133 | 139 Ų | 139 | 81% | 0.806 | 73% | 0.732 | S | S | * | * | | | cis | -120.8 | 168.2 | 34.1 | 174.9 | 0 | 0 | 0 | 0 | 114 | | |
| 363 | V | 24.6 | Very low | 27.2 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 74% | 0.739 | 74% | 0.737 | S | S | * | * | | | trans | -140 | 152.4 | -176.8 | 164.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 364 | K | 24.9 | Very low | 27.1 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 60% | 0.596 | 74% | 0.736 | S | S | * | * | | | trans | 67 | 162.1 | -179.6 | -80.3 | 165 | 166.8 | -79.4 | 0 | 114.2 | E366 | K364-E366 IonicContact NZ-OE1 2.63Å; K364-E366 PolarHBondContact NZ-OE1 3.4Å; K364-E366 IonicContact NZ-OE2 3.05Å; K364-E366 PolarHBondContact NZ-OE2 3.21Å |
| 365 | D | 23.7 | Very low | 26.7 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | | | cis | -102.2 | 164.8 | 2.7 | -55.9 | -64.7 | 0 | 0 | 0 | 111.8 | | |
| 366 | E | 26.2 | Very low | 26.8 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | | | cis | 77.5 | 90.4 | 31.7 | -122.1 | 165.8 | -96 | 0 | 0 | 115.3 | K364 | K364-E366 IonicContact NZ-OE1 2.63Å; K364-E366 PolarHBondContact NZ-OE1 3.4Å; K364-E366 IonicContact NZ-OE2 3.05Å; K364-E366 PolarHBondContact NZ-OE2 3.21Å |
| 367 | Y | 25.3 | Very low | 27.5 | Very low | 223 Ų | 223 | 133.2 Ų | 133.2 | 88% | 0.875 | 73% | 0.733 | S | S | * | * | | | trans | -143.1 | 149.3 | 148.4 | -155.3 | -100.2 | 0 | 0 | 0 | 111.3 | | |
| 368 | V | 28.4 | Very low | 27.5 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 62% | 0.624 | 74% | 0.735 | S | S | * | * | | | trans | -117.4 | 144.2 | -170.6 | 173.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 369 | M | 25.2 | Very low | 27.7 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 73% | 0.729 | 74% | 0.742 | S | S | * | * | | | trans | -143.2 | 135.3 | 143.1 | -89.3 | -58 | -79.2 | 0 | 0 | 108.6 | | |
| 370 | A | 25.6 | Very low | 27.6 | Very low | 71 Ų | 71 | 133.9 Ų | 133.9 | 59% | 0.587 | 74% | 0.736 | S | S | * | * | | | trans | -115.4 | 175 | 180 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 371 | D | 28.3 | Very low | 27.4 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | | | trans | -67.7 | 131 | -173.7 | -45.8 | -88.9 | 0 | 0 | 0 | 114 | | |
| 372 | Y | 25.5 | Very low | 27.3 | Very low | 191 Ų | 191 | 129.2 Ų | 129.2 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | | | trans | -158 | 150.1 | 142.6 | 38.2 | -100 | 0 | 0 | 0 | 112.3 | | |
| 373 | S | 34.6 | Very low | 27.4 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | | | trans | -103 | -150.8 | -175 | -50.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 374 | V | 26.2 | Very low | 27.7 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | | | trans | 81.6 | 93.5 | -176.8 | -169.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 375 | A | 27 | Very low | 28.1 | Very low | 83 Ų | 83 | 136.8 Ų | 136.8 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | | | | 72.6 | 136.4 | 78.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 376 | L | 28.1 | Very low | 28.3 | Very low | 155 Ų | 155 | 133.2 Ų | 133.2 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | | | | -179.9 | 179.8 | 81.8 | -79.8 | 169.2 | 0 | 0 | 0 | 108.1 | | |
| 377 | P | 38.9 | Very low | 28.6 | Very low | 98 Ų | 98 | 135.2 Ų | 135.2 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | cis | -135.9 | 170.3 | -47.3 | 39.1 | -23.5 | 0 | 0 | 0 | 114.3 | | |
| 378 | D | 25.1 | Very low | 28.7 | Very low | 144 Ų | 144 | 128.6 Ų | 128.6 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | | | trans | 27.8 | 120.1 | 141.9 | -51.1 | -31.8 | 0 | 0 | 0 | 122.4 | | |
| 379 | T | 28.1 | Very low | 28.7 | Very low | 143 Ų | 143 | 126.8 Ų | 126.8 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | | | | 169.5 | 150.3 | 112.6 | 34.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 380 | S | 27 | Very low | 28.9 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | | | cis | -162 | 160.9 | -23.7 | 67.8 | 0 | 0 | 0 | 0 | 108 | | |
| 381 | S | 29.3 | Very low | 29.1 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | 65.5 | 136.5 | 166.8 | -44.6 | 0 | 0 | 0 | 0 | 116 | | |
| 382 | G | 24.9 | Very low | 29.3 | Very low | 68 Ų | 68 | 132 Ų | 132 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | cis | 97.7 | 128.6 | 7.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 383 | R | 29 | Very low | 29.4 | Very low | 231 Ų | 231 | 127.9 Ų | 127.9 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | | | trans | 102.2 | 148.1 | -179.3 | -67.1 | -165.1 | 170.5 | -142 | -3.5 | 116.4 | | |
| 384 | Q | 30.3 | Very low | 29.1 | Very low | 153 Ų | 153 | 127.7 Ų | 127.7 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | | | cis | -163.5 | 167.3 | -31.5 | -154.4 | 165.1 | -47 | 0 | 0 | 109.5 | | |
| 385 | L | 32.6 | Very low | 29.3 | Very low | 166 Ų | 166 | 131 Ų | 131 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | | | trans | -68.1 | 137.3 | 155.1 | -76.2 | 159 | 0 | 0 | 0 | 111.2 | | |
| 386 | G | 27.8 | Very low | 29.5 | Very low | 67 Ų | 67 | 135.1 Ų | 135.1 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | | | trans | 112.3 | 123.7 | 136.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 387 | L | 33 | Very low | 29.6 | Very low | 184 Ų | 184 | 134.8 Ų | 134.8 | 96% | 0.963 | 79% | 0.788 | S | S | * | * | | | trans | 71.9 | 138.6 | 141.7 | -52.6 | 177.1 | 0 | 0 | 0 | 120.6 | | |
| 388 | G | 27 | Very low | 29.3 | Very low | 85 Ų | 85 | 140 Ų | 140 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | | | trans | 79.1 | 147.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 389 | G | 28.8 | Very low | 29.8 | Very low | 65 Ų | 65 | 138.3 Ų | 138.3 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | | | cis | 175.9 | 158.4 | -4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 390 | E | 29.5 | Very low | 30.1 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | 36.5 | 116.7 | 161.6 | 63.8 | -154.9 | 120 | 0 | 0 | 123.1 | | |
| 391 | N | 29.9 | Very low | 30.2 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | | | trans | 48 | 122.3 | 131.5 | -47.3 | -37.5 | 0 | 0 | 0 | 120 | | |
| 392 | L | 32.9 | Very low | 30.4 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | | | | 177.4 | 163.6 | 80 | -87.7 | 176.8 | 0 | 0 | 0 | 112.2 | | |
| 393 | S | 26.7 | Very low | 30.6 | Very low | 105 Ų | 105 | 149 Ų | 149 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | | | trans | 51.7 | 105.6 | 156.6 | -153.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 394 | S | 29.3 | Very low | 30.9 | Very low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | | | | 58 | 105.9 | 76 | -54.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 395 | E | 30.5 | Very low | 30.8 | Very low | 199 Ų | 199 | 148.7 Ų | 148.7 | 93% | 0.93 | 82% | 0.824 | S | S | * | * | | | | -166.3 | 167.8 | 110.2 | -108.3 | -170 | 128.2 | 0 | 0 | 113.4 | | |
| 396 | E | 31.6 | Very low | 30.8 | Very low | 169 Ų | 169 | 150 Ų | 150 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | | | trans | -101.4 | -177.3 | -162.4 | -173 | 175.2 | -153.3 | 0 | 0 | 112.9 | | |
| 397 | I | 30 | Very low | 30.8 | Very low | 148 Ų | 148 | 152.7 Ų | 152.7 | 76% | 0.759 | 83% | 0.825 | S | S | * | * | | | trans | 122.3 | 147.4 | 150.7 | -61.4 | 161.9 | 0 | 0 | 0 | 117.3 | | |
| 398 | Y | 31.3 | Very low | 31.3 | Very low | 206 Ų | 206 | 149.8 Ų | 149.8 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 164.7 | -162.8 | -85.1 | -108.1 | 0 | 0 | 0 | 116.5 | | |
| 399 | P | 36.4 | Very low | 31.6 | Very low | 109 Ų | 109 | 155.5 Ų | 155.5 | 71% | 0.708 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 152.8 | -175.3 | 31.9 | -37.4 | 0 | 0 | 0 | 115.3 | | |
| 400 | P | 34.2 | Very low | 31.5 | Very low | 133 Ų | 133 | 163.6 Ų | 163.6 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 158.2 | -178.4 | 33 | -36 | 0 | 0 | 0 | 114.5 | | |
| 401 | K | 29.6 | Very low | 31.5 | Very low | 197 Ų | 197 | 160 Ų | 160 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 154.9 | -175 | -62.8 | 169.3 | -177.3 | 171.4 | 0 | 112.6 | | |
| 402 | L | 32.2 | Very low | 31.3 | Very low | 180 Ų | 180 | 160.8 Ų | 160.8 | 94% | 0.942 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 138.8 | 168.6 | -65.3 | 172.4 | 0 | 0 | 0 | 111.3 | | |
| 403 | V | 30 | Very low | 31 | Very low | 136 Ų | 136 | 161.2 Ų | 161.2 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | | | trans | -137.5 | 129.4 | 171.2 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 404 | L | 34.4 | Very low | 31.1 | Very low | 170 Ų | 170 | 163.4 Ų | 163.4 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | | | trans | -83.6 | 145.8 | 176 | -78.3 | 161.4 | 0 | 0 | 0 | 111.9 | | |
| 405 | K | 29.5 | Very low | 31.9 | Very low | 209 Ų | 209 | 163.3 Ų | 163.3 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | | | trans | -135.9 | 155.7 | 165 | -108.4 | 176.3 | 177 | 175.5 | 0 | 110.7 | | |
| 406 | K | 32 | Very low | 31.6 | Very low | 193 Ų | 193 | 159.8 Ų | 159.8 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | trans | -153.3 | 170.5 | -164.3 | -170.2 | -178.2 | 178.3 | 179.7 | 0 | 109.7 | | |
| 407 | V | 28.8 | Very low | 31.3 | Very low | 123 Ų | 123 | 159.9 Ų | 159.9 | 75% | 0.745 | 81% | 0.809 | S | S | * | * | | | trans | 81.3 | 147.7 | 165.7 | -172.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 408 | P | 42.4 | Very low | 32.1 | Very low | 123 Ų | 123 | 158 Ų | 158 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | | | cis | -128.1 | -171.7 | -7.5 | 27.7 | -3.9 | 0 | 0 | 0 | 117.4 | | |
| 409 | K | 34.1 | Very low | 31.8 | Very low | 205 Ų | 205 | 156.6 Ų | 156.6 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | | | trans | -82.1 | 169.8 | -178.2 | -43.2 | 166.4 | 178.7 | 177.7 | 0 | 116.7 | | |
| 410 | R | 27 | Very low | 32.3 | Very low | 236 Ų | 236 | 157 Ų | 157 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | | | trans | -163.6 | 122.4 | 134.8 | -95.7 | -180 | 171.9 | 153.9 | -1.5 | 107.7 | | |
| 411 | S | 28.2 | Very low | 33.4 | Very low | 98 Ų | 98 | 156.2 Ų | 156.2 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | | | | 73.5 | 137.2 | 63.8 | 73.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 412 | L | 27 | Very low | 33.3 | Very low | 163 Ų | 163 | 156.3 Ų | 156.3 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | cis | -133.7 | -157.5 | 25.7 | -147.1 | 60.2 | 0 | 0 | 0 | 109.5 | | |
| 413 | K | 25 | Very low | 33.3 | Very low | 175 Ų | 175 | 152.4 Ų | 152.4 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | | | cis | -159.8 | 177.4 | 1.8 | -160.1 | -141.9 | 163.7 | -162.3 | 0 | 110.1 | | |
| 414 | Q | 28.6 | Very low | 33 | Very low | 151 Ų | 151 | 154.1 Ų | 154.1 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | trans | -128.4 | -176.5 | 173.2 | -62.9 | 172.7 | -73.2 | 0 | 0 | 112.5 | | |
| 415 | P | 48 | Very low | 32.6 | Very low | 107 Ų | 107 | 151.4 Ų | 151.4 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | | | | -124.8 | -172.2 | 82.1 | 40.3 | -30.2 | 0 | 0 | 0 | 112.5 | | |
| 416 | T | 22.4 | Very low | 33.2 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | | | cis | -143.7 | -132.4 | 16 | -34.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 417 | E | 26 | Very low | 32.9 | Very low | 171 Ų | 171 | 145 Ų | 145 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | trans | -164.3 | 178.3 | -158.3 | -110.1 | -170.4 | 127.4 | 0 | 0 | 110 | | |
| 418 | P | 46.5 | Very low | 32.7 | Very low | 110 Ų | 110 | 144.7 Ų | 144.7 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | | | cis | -133.2 | 178.7 | -1.9 | 29.8 | -6.4 | 0 | 0 | 0 | 117.2 | | |
| 419 | E | 25.3 | Very low | 32 | Very low | 176 Ų | 176 | 143.4 Ų | 143.4 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -85.1 | -159.9 | 173.2 | -54.5 | -67.1 | 164.6 | 0 | 0 | 111.1 | | |
| 420 | P | 48 | Very low | 31.7 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | cis | -142.1 | -132.4 | 7.1 | 48 | -22.7 | 0 | 0 | 0 | 115.2 | | |
| 421 | P | 56.1 | Low | 31.8 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | | | trans | -137.5 | -173.9 | -137 | 42.2 | -18.1 | 0 | 0 | 0 | 118.6 | | |
| 422 | E | 27.4 | Very low | 32.1 | Very low | 198 Ų | 198 | 141 Ų | 141 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | | | trans | -168.2 | -176 | 134.5 | -118.2 | 178.6 | -161.3 | 0 | 0 | 113.7 | | |
| 423 | S | 31.6 | Very low | 32 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | trans | -133.3 | 151.1 | -161.7 | 63.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 424 | L | 24.4 | Very low | 32.3 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | | | trans | 170.2 | 164.6 | 131 | -92.6 | 168.6 | 0 | 0 | 0 | 113.8 | | |
| 425 | C | 25.9 | Very low | 32.1 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | -108 | 161.6 | 166.3 | -84.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 426 | P | 43 | Very low | 31 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | | | | -160.4 | 173.9 | 57 | 44.3 | -22.3 | 0 | 0 | 0 | 120.7 | | |
| 427 | L | 25.4 | Very low | 31.2 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | | | trans | 59.5 | 144 | 144 | -74.1 | 166.1 | 0 | 0 | 0 | 123.6 | | |
| 428 | S | 24.5 | Very low | 31.2 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | 66.4 | 155 | 159.3 | 65.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 429 | S | 27.7 | Very low | 30.4 | Very low | 96 Ų | 96 | 140.3 Ų | 140.3 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | | | cis | -171.5 | 153.7 | -17.1 | 47.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 430 | F | 27.6 | Very low | 30.5 | Very low | 183 Ų | 183 | 140 Ų | 140 | 80% | 0.803 | 75% | 0.751 | S | S | * | * | | | trans | 67.8 | 146.7 | 151.1 | -95.5 | -114.9 | 0 | 0 | 0 | 121.6 | | |
| 431 | E | 30.2 | Very low | 29.5 | Very low | 155 Ų | 155 | 141.7 Ų | 141.7 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | | | trans | 43.3 | 113.1 | 149.6 | -74.2 | 171.3 | -165.7 | 0 | 0 | 122.7 | | |
| 432 | D | 33.5 | Very low | 28.8 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | | | | 51.9 | 154.9 | 114.7 | -76.6 | -16.5 | 0 | 0 | 0 | 124.7 | | |
| 433 | C | 25.8 | Very low | 29 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 63% | 0.628 | 74% | 0.742 | S | S | * | * | | | trans | 79 | 132.1 | 153.5 | -95.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 434 | K | 29.5 | Very low | 29 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | | | trans | 73.5 | 155.5 | 138.3 | -68.8 | 168.6 | -172.1 | 158.6 | 0 | 116.5 | | |
| 435 | V | 25 | Very low | 29.7 | Very low | 117 Ų | 117 | 139 Ų | 139 | 71% | 0.709 | 72% | 0.722 | S | S | * | * | | | cis | -163.8 | 140.5 | -14.4 | 114 | 0 | 0 | 0 | 0 | 112.8 | | |
| 436 | T | 26.2 | Very low | 30.1 | Very low | 98 Ų | 98 | 140.3 Ų | 140.3 | 60% | 0.601 | 72% | 0.717 | S | S | * | * | | | trans | 60 | 142.8 | 153.6 | 64.9 | 0 | 0 | 0 | 0 | 125.9 | | |
| 437 | R | 26.7 | Very low | 29.7 | Very low | 204 Ų | 204 | 138.1 Ų | 138.1 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | | | | 108.6 | 158.6 | 120.6 | -99.3 | 164 | -169.9 | 153.5 | -0 | 121.9 | | |
| 438 | Y | 25.7 | Very low | 30.2 | Very low | 191 Ų | 191 | 135.5 Ų | 135.5 | 75% | 0.749 | 70% | 0.701 | S | S | * | * | | | trans | 72 | 110.3 | -179.1 | -56.8 | -80.9 | 0 | 0 | 0 | 114.3 | | |
| 439 | T | 28.4 | Very low | 30.8 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 61% | 0.607 | 69% | 0.686 | S | S | * | * | | | | 69.7 | 141.2 | 57.2 | 73.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 440 | F | 28.6 | Very low | 31 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 74% | 0.741 | 69% | 0.689 | S | S | * | * | | | cis | -136.4 | -164.1 | 14.2 | -53.3 | -101.6 | 0 | 0 | 0 | 109.4 | | |
| 441 | E | 26.9 | Very low | 31.3 | Very low | 153 Ų | 153 | 133 Ų | 133 | 72% | 0.715 | 68% | 0.683 | S | S | * | * | | | cis | -157.5 | 169.1 | 0.1 | -162.5 | 44.1 | -81.1 | 0 | 0 | 111.5 | | |
| 442 | I | 41.8 | Very low | 31.3 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 75% | 0.754 | 69% | 0.686 | S | S | * | * | | | trans | -140.6 | 146 | 171.6 | -55.5 | 172.6 | 0 | 0 | 0 | 111.2 | | |
| 443 | V | 31.4 | Very low | 31.2 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 78% | 0.782 | 68% | 0.684 | S | S | * | * | | | trans | -172.9 | 141.8 | 160.6 | 129.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 444 | D | 31.7 | Very low | 31.4 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 49% | 0.492 | 68% | 0.684 | S | S | . | * | | | cis | -151.4 | 149.5 | -17.2 | -108.7 | 9.9 | 0 | 0 | 0 | 109.5 | | |
| 445 | K | 39.3 | Very low | 31.4 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 70% | 0.696 | 69% | 0.685 | S | S | * | * | | | | 58.4 | 156.4 | 87.4 | -49.9 | -170.4 | -160.7 | 89.6 | 0 | 115.3 | | |
| 446 | Q | 32.6 | Very low | 31.6 | Very low | 141 Ų | 141 | 128.3 Ų | 128.3 | 66% | 0.659 | 68% | 0.684 | S | S | * | * | | | cis | -118 | -175.6 | 10.1 | -121.3 | 81.5 | -3.7 | 0 | 0 | 111.2 | | |
| 447 | G | 34.4 | Very low | 31.6 | Very low | 66 Ų | 66 | 130.4 Ų | 130.4 | 68% | 0.68 | 69% | 0.692 | S | S | * | * | | | cis | 118.9 | 158.8 | 15.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 448 | L | 36.8 | Very low | 31.8 | Very low | 101 Ų | 101 | 128.1 Ų | 128.1 | 53% | 0.529 | 69% | 0.694 | S | S | . | * | | | cis | -173.1 | 171.2 | -13.3 | -156.4 | 70.8 | 0 | 0 | 0 | 109.8 | T662 | L448-T662 VanDerWaalsContact CB-O 3.25Å; L448-T662 WeakPolarHBondContact CB-O 3.36Å |
| 449 | L | 37.7 | Very low | 31.8 | Very low | 92 Ų | 92 | 127.2 Ų | 127.2 | 48% | 0.482 | 70% | 0.697 | S | S | . | * | | | trans | 74.7 | 142.5 | 161.4 | -57.1 | -173.2 | 0 | 0 | 0 | 119 | T662 | L449-T662 HydrophobicContact CD1-CG2 3.78Š|
| 450 | D | 31.1 | Very low | 32.9 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | | | cis | 95.1 | 152 | 29.5 | -72.3 | -7.2 | 0 | 0 | 0 | 113.5 | | |
| 451 | V | 33.8 | Very low | 32.9 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 67% | 0.673 | 70% | 0.698 | S | S | * | * | | | cis | -165.6 | 172 | -14.3 | 133.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 452 | D | 31 | Very low | 32.9 | Very low | 146 Ų | 146 | 124.7 Ų | 124.7 | 78% | 0.781 | 70% | 0.702 | S | S | * | * | | | trans | 130.1 | 147.6 | 155.6 | -79 | -28.5 | 0 | 0 | 0 | 115.4 | | |
| 453 | V | 31.4 | Very low | 32.3 | Very low | 127 Ų | 127 | 122.3 Ų | 122.3 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | | | cis | -166.4 | 171.7 | -29 | 102.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 454 | A | 29.9 | Very low | 32.2 | Very low | 77 Ų | 77 | 124.1 Ų | 124.1 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | | | trans | 86.7 | 103 | 161.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 455 | N | 29.9 | Very low | 32.7 | Very low | 152 Ų | 152 | 126 Ų | 126 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | | | | 56.6 | 129.5 | 121.7 | -58.8 | 3.2 | 0 | 0 | 0 | 124.6 | | |
| 456 | S | 29.1 | Very low | 32.1 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | | | trans | 61.3 | 127.1 | 132.4 | -60.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 457 | D | 26.1 | Very low | 31.8 | Very low | 143 Ų | 143 | 118.9 Ų | 118.9 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | | | cis | -164.9 | 159.6 | 45.1 | -91.9 | -41.9 | 0 | 0 | 0 | 114.7 | | |
| 458 | L | 31 | Very low | 31.5 | Very low | 155 Ų | 155 | 124.9 Ų | 124.9 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | | | trans | 18.8 | 123.1 | 150.5 | -51.9 | 175.9 | 0 | 0 | 0 | 123.7 | | |
| 459 | E | 25.5 | Very low | 31 | Very low | 172 Ų | 172 | 126.2 Ų | 126.2 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | 1.7 | 164 | 131.2 | -63.1 | -71.2 | 107.1 | 0 | 0 | 121.3 | | |
| 460 | P | 50.6 | Low | 30.7 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 66% | 0.656 | 78% | 0.777 | S | S | * | * | | | cis | -140.2 | -151.9 | -37.6 | 40.9 | -22.1 | 0 | 0 | 0 | 112.5 | | |
| 461 | V | 28.7 | Very low | 31.1 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | | | trans | 139.6 | 127 | 143.4 | 171.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 462 | D | 26.5 | Very low | 31 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | trans | 15.7 | 135.5 | 156.2 | -58.7 | -32.3 | 0 | 0 | 0 | 125 | | |
| 463 | A | 29.3 | Very low | 31.3 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | | | | -164.7 | 159.3 | 114.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 464 | L | 30 | Very low | 31.7 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | -113.1 | -147.3 | -172.5 | -62.4 | 170 | 0 | 0 | 0 | 113.5 | | |
| 465 | P | 42.8 | Very low | 32.3 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | | | | -133.6 | -179.7 | -111.6 | 42.6 | -23.4 | 0 | 0 | 0 | 117 | | |
| 466 | G | 27 | Very low | 33 | Very low | 82 Ų | 82 | 129.4 Ų | 129.4 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | 160.8 | 158 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 467 | G | 26 | Very low | 34.2 | Very low | 70 Ų | 70 | 132.6 Ų | 132.6 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | | | cis | 156.6 | 158.1 | -5.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 468 | Q | 26.6 | Very low | 35.3 | Very low | 192 Ų | 192 | 134.8 Ų | 134.8 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | | | trans | 73.1 | 163.7 | 178.2 | -40.8 | -173.5 | 24.5 | 0 | 0 | 115.4 | | |
| 469 | T | 28.1 | Very low | 36.4 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | cis | -136.1 | 177.7 | 14.1 | 53 | 0 | 0 | 0 | 0 | 114 | | |
| 470 | K | 30.5 | Very low | 38.2 | Very low | 198 Ų | 198 | 129.6 Ų | 129.6 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | | | trans | -104.7 | 158.6 | 171.1 | -69.3 | 179.5 | 178.2 | 177 | 0 | 111.9 | | |
| 471 | P | 39.5 | Very low | 38.7 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | | | trans | -93.2 | 171.1 | 173.2 | 37.9 | -35.7 | 0 | 0 | 0 | 114.4 | | |
| 472 | A | 30.8 | Very low | 41.2 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 88% | 0.876 | 76% | 0.76 | S | S | * | * | | | trans | -136.4 | 170.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 473 | S | 38.8 | Very low | 43.2 | Very low | 121 Ų | 121 | 125 Ų | 125 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | | | trans | -136.9 | 153.4 | -158 | 56.9 | 0 | 0 | 0 | 0 | 116.7 | | |
| 474 | S | 38.8 | Very low | 45 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | | | trans | -165.2 | 163 | 173.7 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 475 | S | 42.7 | Very low | 47 | Very low | 106 Ų | 106 | 125.4 Ų | 125.4 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | | | cis | -167.3 | 1.3 | -32.2 | -166.6 | 0 | 0 | 0 | 0 | 114.6 | H477 | S475-H477 PolarHBondContact O-N 3.34Š|
| 476 | T | 45.5 | Very low | 48.3 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | | | trans | -95.7 | 36.8 | -144.5 | 55.4 | 0 | 0 | 0 | 0 | 117.9 | | |
| 477 | H | 52.8 | Low | 50.3 | Low | 167 Ų | 167 | 130.6 Ų | 130.6 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | | | trans | -86.7 | -14.1 | -167.2 | -160.3 | -69.3 | 0 | 0 | 0 | 116.7 | S475 | S475-H477 PolarHBondContact O-N 3.34Š|
| 478 | Y | 50 | Low | 52.6 | Low | 190 Ų | 190 | 134.3 Ų | 134.3 | 75% | 0.745 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -86.1 | -37.6 | -167.6 | -163.8 | -100.9 | 0 | 0 | 0 | 115 | M482 | Y478-M482 HydrophobicContact CE1-CG 4.3Å |
| 479 | D | 53.6 | Low | 54.5 | Low | 114 Ų | 114 | 134.5 Ų | 134.5 | 61% | 0.61 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -73.9 | -41.9 | -171.1 | -123.6 | -31.5 | 0 | 0 | 0 | 112.9 | A481 M482 Q483 | D479-A481 PolarHBondContact O-N 2.84Å; D479-M482 WeakPolarHBondContact O-CB 3.44Å; D479-M482 PolarHBondContact O-N 3.37Å; D479-Q483 PolarHBondContact O-N 3.05Å |
| 480 | D | 63.5 | Low | 56.5 | Low | 104 Ų | 104 | 135.8 Ų | 135.8 | 56% | 0.556 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -58.7 | -36.4 | 178.9 | -72 | -13.1 | 0 | 0 | 0 | 112.3 | M482 Q483 F484 | D480-M482 VanDerWaalsContact C-N 3.34Å; D480-M482 PolarHBondContact O-N 3.18Å; D480-Q483 PolarHBondContact O-N 2.75Å; D480-F484 PolarHBondContact O-N 3.07Å |
| 481 | A | 61.2 | Low | 58.6 | Low | 48 Ų | 48 | 131.5 Ų | 131.5 | 40% | 0.397 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -63.8 | -39.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D479 F484 L485 | D479-A481 PolarHBondContact O-N 2.84Å; A481-F484 PolarHBondContact O-N 2.88Å; A481-L485 WeakPolarHBondContact O-CG 3.38Å; A481-L485 PolarHBondContact O-N 2.79Å |
| 482 | M | 81 | Confident | 59.6 | Low | 100 Ų | 100 | 130.8 Ų | 130.8 | 49% | 0.493 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -70.6 | -37 | 177.1 | -69.1 | -63.7 | -71.7 | 0 | 0 | 111.8 | Y478 D479 D480 K486 | Y478-M482 HydrophobicContact CE1-CG 4.3Å; D479-M482 WeakPolarHBondContact O-CB 3.44Å; D479-M482 PolarHBondContact O-N 3.37Å; D480-M482 VanDerWaalsContact C-N 3.34Å; D480-M482 PolarHBondContact O-N 3.18Å; M482-K486 PolarHBondContact O-N 3.43Å; M482-K486 VanDerWaalsContact O-N 3.14Å |
| 483 | Q | 69.6 | Low | 60.8 | Low | 123 Ų | 123 | 132.2 Ų | 132.2 | 58% | 0.575 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.6 | -41.4 | 174.1 | -64.9 | -168.2 | 49.6 | 0 | 0 | 112.1 | D479 D480 L485 K486 K487 | D479-Q483 PolarHBondContact O-N 3.05Å; D480-Q483 PolarHBondContact O-N 2.75Å; Q483-L485 PolarHBondContact O-N 3.05Å; Q483-K486 PolarHBondContact O-N 2.63Å; Q483-K487 PolarHBondContact O-N 2.74Å |
| 484 | F | 67 | Low | 62.1 | Low | 163 Ų | 163 | 129.2 Ų | 129.2 | 72% | 0.715 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -60.3 | -45 | 175.8 | -111.2 | -88.1 | 0 | 0 | 0 | 112.8 | D480 A481 K486 K487 K488 | D480-F484 PolarHBondContact O-N 3.07Å; A481-F484 PolarHBondContact O-N 2.88Å; F484-K486 VanDerWaalsContact C-N 3.31Å; F484-K486 PolarHBondContact O-N 2.94Å; F484-K487 PolarHBondContact O-N 3.08Å; F484-K488 WeakPolarHBondContact O-CB 3.36Å; F484-K488 PolarHBondContact O-N 3.47Å |
| 485 | L | 70.8 | Confident | 63 | Low | 111 Ų | 111 | 126.2 Ų | 126.2 | 58% | 0.581 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63 | -37.1 | 176.9 | -73.8 | 167.9 | 0 | 0 | 0 | 112.2 | A481 Q483 R489 | A481-L485 WeakPolarHBondContact O-CG 3.38Å; A481-L485 PolarHBondContact O-N 2.79Å; Q483-L485 PolarHBondContact O-N 3.05Å; L485-R489 PolarHBondContact O-N 3.37Å |
| 486 | K | 69.6 | Low | 63.3 | Low | 169 Ų | 169 | 127.5 Ų | 127.5 | 74% | 0.735 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.5 | -45.1 | 175.7 | -163.5 | 174.5 | -176.8 | 179.9 | 0 | 111.8 | M482 Q483 F484 K488 R489 Y490 | M482-K486 PolarHBondContact O-N 3.43Å; M482-K486 VanDerWaalsContact O-N 3.14Å; Q483-K486 PolarHBondContact O-N 2.63Å; F484-K486 VanDerWaalsContact C-N 3.31Å; F484-K486 PolarHBondContact O-N 2.94Å; K486-K488 VanDerWaalsContact C-N 3.34Å; K486-K488 PolarHBondContact O-N 3.47Å; K486-R489 PolarHBondContact O-N 3Å; K486-Y490 PolarHBondContact O-N 3.44Å |
| 487 | K | 70.8 | Confident | 63.4 | Low | 151 Ų | 151 | 124.8 Ų | 124.8 | 66% | 0.657 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.7 | -38.4 | 176.7 | -165.6 | 167.5 | -175.3 | 171.5 | 0 | 111.9 | Q483 F484 Y490 L491 | Q483-K487 PolarHBondContact O-N 2.74Å; F484-K487 PolarHBondContact O-N 3.08Å; K487-Y490 PolarHBondContact O-N 3.13Å; K487-L491 PolarHBondContact O-N 3.39Å |
| 488 | K | 73 | Confident | 63.2 | Low | 148 Ų | 148 | 123 Ų | 123 | 64% | 0.643 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.4 | -42.6 | 176.6 | -169.7 | 172 | -177.5 | 176.1 | 0 | 113.1 | F484 K486 Q492 | F484-K488 WeakPolarHBondContact O-CB 3.36Å; F484-K488 PolarHBondContact O-N 3.47Å; K486-K488 VanDerWaalsContact C-N 3.34Å; K486-K488 PolarHBondContact O-N 3.47Å; K488-Q492 PolarHBondContact O-N 3.24Å; K488-Q492 VanDerWaalsContact O-N 3.13Å |
| 489 | R | 66.3 | Low | 63 | Low | 196 Ų | 196 | 120.4 Ų | 120.4 | 74% | 0.74 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.4 | -37.9 | 176.6 | -74.1 | -167.8 | -176.9 | -177.1 | 2.9 | 113 | L485 K486 Q492 Q493 | L485-R489 PolarHBondContact O-N 3.37Å; K486-R489 PolarHBondContact O-N 3Å; R489-Q492 WeakPolarHBondContact O-CB 3.47Å; R489-Q492 PolarHBondContact O-N 3.03Å; R489-Q493 PolarHBondContact O-N 3.18Å; R489-Q493 VanDerWaalsContact O-N 3.09Å |
| 490 | Y | 71.5 | Confident | 62.4 | Low | 156 Ų | 156 | 122 Ų | 122 | 61% | 0.612 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.8 | -47 | 178.3 | -174.6 | -104 | 0 | 0 | 0 | 111.8 | K486 K487 Q492 Q493 V494 | K486-Y490 PolarHBondContact O-N 3.44Å; K487-Y490 PolarHBondContact O-N 3.13Å; Y490-Q492 VanDerWaalsContact C-N 3.32Å; Y490-Q492 PolarHBondContact O-N 3.33Å; Y490-Q493 PolarHBondContact O-N 3.26Å; Y490-V494 HydrophobicContact CD1-CG2 4.34Å; Y490-V494 HydrophobicContact CE1-CG2 4.01Å; Y490-V494 WeakPolarHBondContact O-CG2 3.38Å; Y490-V494 PolarHBondContact O-N 2.84Å |
| 491 | L | 73.8 | Confident | 61.2 | Low | 109 Ų | 109 | 124.4 Ų | 124.4 | 57% | 0.571 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.2 | -37.5 | 175.7 | -69.7 | 169.1 | 0 | 0 | 0 | 112.4 | K487 Q493 V494 A495 | K487-L491 PolarHBondContact O-N 3.39Å; L491-Q493 VanDerWaalsContact C-N 3.35Å; L491-Q493 PolarHBondContact O-N 3.36Å; L491-V494 PolarHBondContact O-N 3.41Å; L491-A495 WeakPolarHBondContact O-CB 3.45Å; L491-A495 PolarHBondContact O-N 2.84Å |
| 492 | Q | 60.9 | Low | 60.3 | Low | 116 Ų | 116 | 133.6 Ų | 133.6 | 54% | 0.542 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -60.2 | -42 | 173.9 | -164.9 | 79.1 | 56 | 0 | 0 | 112 | K488 R489 Y490 M496 | K488-Q492 PolarHBondContact O-N 3.24Å; K488-Q492 VanDerWaalsContact O-N 3.13Å; R489-Q492 WeakPolarHBondContact O-CB 3.47Å; R489-Q492 PolarHBondContact O-N 3.03Å; Y490-Q492 VanDerWaalsContact C-N 3.32Å; Y490-Q492 PolarHBondContact O-N 3.33Å; Q492-M496 WeakPolarHBondContact O-CG 3.32Å; Q492-M496 PolarHBondContact O-N 2.98Å |
| 493 | Q | 56.8 | Low | 58 | Low | 137 Ų | 137 | 136.5 Ų | 136.5 | 64% | 0.64 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -70.7 | -40.7 | 178.4 | -72.2 | -177.6 | -57.2 | 0 | 0 | 112.6 | R489 Y490 L491 A495 M496 A497 | R489-Q493 PolarHBondContact O-N 3.18Å; R489-Q493 VanDerWaalsContact O-N 3.09Å; Y490-Q493 PolarHBondContact O-N 3.26Å; L491-Q493 VanDerWaalsContact C-N 3.35Å; L491-Q493 PolarHBondContact O-N 3.36Å; Q493-A495 VanDerWaalsContact C-N 3.31Å; Q493-A495 PolarHBondContact O-N 2.91Å; Q493-M496 PolarHBondContact O-N 2.69Å; Q493-A497 PolarHBondContact O-N 2.74Å |
| 494 | V | 64.8 | Low | 56.2 | Low | 58 Ų | 58 | 141.9 Ų | 141.9 | 35% | 0.352 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -63.8 | -36.5 | 176 | 174.2 | 0 | 0 | 0 | 0 | 111.6 | Y490 L491 M496 A497 N498 | Y490-V494 HydrophobicContact CD1-CG2 4.34Å; Y490-V494 HydrophobicContact CE1-CG2 4.01Å; Y490-V494 WeakPolarHBondContact O-CG2 3.38Å; Y490-V494 PolarHBondContact O-N 2.84Å; L491-V494 PolarHBondContact O-N 3.41Å; V494-M496 VanDerWaalsContact C-N 3.31Å; V494-M496 PolarHBondContact O-N 3.03Å; V494-A497 PolarHBondContact O-N 3.07Å; V494-N498 PolarHBondContact O-N 3.05Å |
| 495 | A | 58.3 | Low | 54.5 | Low | 57 Ų | 57 | 138.5 Ų | 138.5 | 47% | 0.471 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -65 | -31.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | L491 Q493 | L491-A495 WeakPolarHBondContact O-CB 3.45Å; L491-A495 PolarHBondContact O-N 2.84Å; Q493-A495 VanDerWaalsContact C-N 3.31Å; Q493-A495 PolarHBondContact O-N 2.91Å |
| 496 | M | 48.3 | Very low | 52.6 | Low | 132 Ų | 132 | 140.1 Ų | 140.1 | 65% | 0.65 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -79.7 | -37.1 | 176.7 | -63.6 | -178 | 85.1 | 0 | 0 | 112 | Q492 Q493 V494 N498 | Q492-M496 WeakPolarHBondContact O-CG 3.32Å; Q492-M496 PolarHBondContact O-N 2.98Å; Q493-M496 PolarHBondContact O-N 2.69Å; V494-M496 VanDerWaalsContact C-N 3.31Å; V494-M496 PolarHBondContact O-N 3.03Å; M496-N498 VanDerWaalsContact C-N 3.29Å; M496-N498 PolarHBondContact O-N 3.34Å |
| 497 | A | 48.8 | Very low | 50.8 | Low | 71 Ų | 71 | 138.8 Ų | 138.8 | 59% | 0.587 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -70.6 | -18 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q493 V494 | Q493-A497 PolarHBondContact O-N 2.74Å; V494-A497 PolarHBondContact O-N 3.07Å |
| 498 | N | 47.8 | Very low | 48.8 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -2.1 | -178.7 | -83.6 | -23.7 | 0 | 0 | 0 | 114.7 | V494 M496 | V494-N498 PolarHBondContact O-N 3.05Å; M496-N498 VanDerWaalsContact C-N 3.29Å; M496-N498 PolarHBondContact O-N 3.34Å |
| 499 | N | 45.2 | Very low | 46.7 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -91.7 | -20 | -178.4 | -89.2 | -9.1 | 0 | 0 | 0 | 114.7 | N501 | N499-N501 PolarHBondContact O-N 3.44Š|
| 500 | D | 40.8 | Very low | 44.9 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 79% | 0.786 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -77.8 | 30.9 | -170.2 | -66.6 | -36 | 0 | 0 | 0 | 115.1 | | |
| 501 | N | 39.4 | Very low | 43 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 83% | 0.829 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -151.8 | 52.5 | -176.4 | -155.9 | -0.7 | 0 | 0 | 0 | 115.2 | N499 | N499-N501 PolarHBondContact O-N 3.44Š|
| 502 | R | 41.9 | Very low | 40.9 | Very low | 242 Ų | 242 | 131 Ų | 131 | 91% | 0.913 | 72% | 0.724 | S | S | * | * | | | trans | -147.7 | 27.9 | 168.9 | -144.2 | 178 | 172.2 | 171.2 | -3.1 | 117.2 | | |
| 503 | D | 33 | Very low | 39.4 | Very low | 160 Ų | 160 | 131.1 Ų | 131.1 | 86% | 0.856 | 74% | 0.738 | S | S | * | * | | | trans | -95.2 | 111.3 | 168.3 | -83.5 | -52.6 | 0 | 0 | 0 | 111.9 | | |
| 504 | Y | 31.8 | Very low | 38.1 | Very low | 237 Ų | 237 | 133 Ų | 133 | 93% | 0.929 | 75% | 0.746 | S | S | * | * | | | trans | -150 | 99.8 | 155.9 | -112.3 | -79.4 | 0 | 0 | 0 | 109.1 | | |
| 505 | A | 31.6 | Very low | 37.4 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | trans | -88.8 | 145.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 506 | V | 30.9 | Very low | 36 | Very low | 145 Ų | 145 | 137 Ų | 137 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | | | trans | -128.4 | 128.8 | 161.1 | -179.7 | 0 | 0 | 0 | 0 | 106.8 | | |
| 507 | N | 30.3 | Very low | 35.1 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | | | trans | -135.3 | 113.6 | -164.8 | -175.2 | 10.6 | 0 | 0 | 0 | 111.9 | | |
| 508 | V | 29.2 | Very low | 34.3 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | | | trans | -154.9 | 123.9 | 177.9 | 176.2 | 0 | 0 | 0 | 0 | 105.3 | | |
| 509 | S | 29.5 | Very low | 33.5 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | cis | -135.3 | 163.8 | 10.8 | -71.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 510 | S | 29.1 | Very low | 32.7 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | | | trans | -98 | 132.6 | 175.9 | -59.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 511 | I | 31.8 | Very low | 32.3 | Very low | 170 Ų | 170 | 137 Ų | 137 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | | | trans | -152.9 | 134.2 | 157.3 | -59.3 | -174.9 | 0 | 0 | 0 | 106.2 | | |
| 512 | A | 28.2 | Very low | 31.8 | Very low | 81 Ų | 81 | 136.4 Ų | 136.4 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | | | cis | -164.8 | -176.1 | -20.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 513 | S | 30.3 | Very low | 31.2 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | 55.8 | 97.5 | 153.4 | -54 | 0 | 0 | 0 | 0 | 120.6 | | |
| 514 | Q | 29.8 | Very low | 31.2 | Very low | 175 Ų | 175 | 126.9 Ų | 126.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -71.2 | 176.4 | 143 | -75.3 | -82.2 | -14.3 | 0 | 0 | 110 | | |
| 515 | P | 48.3 | Very low | 31.2 | Very low | 105 Ų | 105 | 121.6 Ų | 121.6 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | | | cis | -143.1 | 173.6 | 14.1 | 41.7 | -21.6 | 0 | 0 | 0 | 119.1 | | |
| 516 | S | 29.7 | Very low | 31.3 | Very low | 96 Ų | 96 | 124 Ų | 124 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | | | trans | 56.2 | 124.9 | 138.3 | 66.1 | 0 | 0 | 0 | 0 | 124.3 | | |
| 517 | A | 29.8 | Very low | 31.1 | Very low | 91 Ų | 91 | 123 Ų | 123 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | | | | -177.2 | 103.8 | 124 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 518 | T | 31.5 | Very low | 31.2 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | | | | 64.4 | 100.2 | 79 | 62.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 519 | Q | 31.3 | Very low | 31.4 | Very low | 187 Ų | 187 | 123.8 Ų | 123.8 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | | | trans | 67.1 | 166.9 | 148.1 | -55.3 | -176.4 | 4.3 | 0 | 0 | 115.3 | | |
| 520 | V | 29.2 | Very low | 31.6 | Very low | 123 Ų | 123 | 125.2 Ų | 125.2 | 75% | 0.745 | 77% | 0.767 | S | S | * | * | | | cis | -135.5 | 150.7 | 19.8 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | V522 | V520-V522 HydrophobicContact CG1-CG2 4.47Š|
| 521 | A | 31.8 | Very low | 32.2 | Very low | 96 Ų | 96 | 125.8 Ų | 125.8 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | | | trans | -102.9 | 143 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 522 | V | 29.5 | Very low | 32.2 | Very low | 142 Ų | 142 | 122.1 Ų | 122.1 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | | | trans | -138.3 | 137.5 | 159.4 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | V520 | V520-V522 HydrophobicContact CG1-CG2 4.47Š|
| 523 | A | 29 | Very low | 32.3 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | | | trans | -139.5 | 135 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 524 | S | 32.5 | Very low | 32.4 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -166.1 | 133.8 | 161.1 | 54.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 525 | V | 32.3 | Very low | 32.4 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | cis | 69 | 119.7 | 46.9 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 526 | I | 33.9 | Very low | 31.7 | Very low | 141 Ų | 141 | 128.3 Ų | 128.3 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | | | cis | -162.1 | 179.3 | 10.5 | 40 | 166.9 | 0 | 0 | 0 | 108.9 | | |
| 527 | D | 26.1 | Very low | 32.1 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | | | cis | -157.2 | -179.1 | 1.5 | -133 | -43.3 | 0 | 0 | 0 | 114 | | |
| 528 | E | 32.4 | Very low | 32 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | | | trans | 71.7 | 138.6 | 141.5 | -85.1 | -163.7 | 150.5 | 0 | 0 | 126 | | |
| 529 | T | 33.2 | Very low | 32.4 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | trans | 79.7 | 104.3 | 145.7 | 53.3 | 0 | 0 | 0 | 0 | 123.6 | | |
| 530 | V | 33.3 | Very low | 32.2 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | | | trans | -60.2 | 143.6 | 149.2 | 168.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 531 | P | 42.6 | Very low | 32.2 | Very low | 124 Ų | 124 | 131 Ų | 131 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | | | | -145.9 | 177.1 | 63.9 | 39.7 | -19 | 0 | 0 | 0 | 118.2 | | |
| 532 | A | 31.5 | Very low | 32.1 | Very low | 93 Ų | 93 | 133.1 Ų | 133.1 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | -114.1 | 146.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 533 | T | 30 | Very low | 31.9 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | trans | -155.3 | 111.7 | 151.5 | 25.4 | 0 | 0 | 0 | 0 | 112 | | |
| 534 | I | 33.2 | Very low | 32.1 | Very low | 158 Ų | 158 | 136.7 Ų | 136.7 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | 28 | 122.3 | 132.8 | -52.4 | 168.5 | 0 | 0 | 0 | 118.2 | | |
| 535 | L | 29.9 | Very low | 32 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 90% | 0.901 | 78% | 0.776 | S | S | * | * | | | trans | -160.7 | 123.9 | 137 | -109.9 | 166.9 | 0 | 0 | 0 | 111.4 | | |
| 536 | E | 33.1 | Very low | 31.8 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 67% | 0.673 | 77% | 0.769 | S | S | * | * | | | trans | -106.5 | 159.2 | 158.1 | -120.7 | -149.2 | 98.2 | 0 | 0 | 107 | | |
| 537 | P | 39 | Very low | 31.4 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | | | cis | -140.3 | 171.7 | 43.3 | 39.3 | -19.8 | 0 | 0 | 0 | 117.9 | | |
| 538 | Q | 26 | Very low | 31.6 | Very low | 158 Ų | 158 | 138 Ų | 138 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | | | trans | -5.9 | 168.2 | 147.7 | -75.8 | -165 | 45.7 | 0 | 0 | 121.9 | | |
| 539 | P | 41.6 | Very low | 31.3 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | | | cis | -140.6 | 149.2 | -31.4 | 36 | -19.4 | 0 | 0 | 0 | 114 | | |
| 540 | L | 26.1 | Very low | 31.3 | Very low | 182 Ų | 182 | 136.9 Ų | 136.9 | 95% | 0.953 | 76% | 0.756 | S | S | * | * | | | trans | -143.5 | 135.6 | 161.2 | -80.6 | -179.5 | 0 | 0 | 0 | 112.8 | | |
| 541 | S | 28.6 | Very low | 31.2 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | | | trans | -77.5 | 137.6 | 170.2 | -46.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 542 | V | 29.6 | Very low | 30.7 | Very low | 140 Ų | 140 | 137 Ų | 137 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | | | trans | -157.6 | 156.9 | 150.6 | 125.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 543 | E | 26.6 | Very low | 30.8 | Very low | 128 Ų | 128 | 139 Ų | 139 | 60% | 0.598 | 75% | 0.746 | S | S | * | * | | | trans | -44.1 | 139.8 | -167.1 | -56.1 | 173.5 | 87.5 | 0 | 0 | 119.1 | K545 | E543-K545 PolarHBondContact O-N 3.15Å; E543-K545 WeakPolarHBondContact OE1-CE 3.38Å; E543-K545 IonicContact OE1-NZ 3.9Å; E543-K545 PolarHBondContact OE1-NZ 3.31Å |
| 544 | L | 32.8 | Very low | 31.6 | Very low | 187 Ų | 187 | 138.4 Ų | 138.4 | 98% | 0.979 | 74% | 0.744 | S | S | * | * | | | trans | -81.1 | 94.1 | 156.7 | -102.4 | 163.7 | 0 | 0 | 0 | 110.4 | | |
| 545 | K | 29.6 | Very low | 31.8 | Very low | 157 Ų | 157 | 136 Ų | 136 | 68% | 0.683 | 73% | 0.733 | S | S | * | * | | | trans | -145.1 | 144.1 | 167.8 | -81 | 174.4 | -173.6 | 160.1 | 0 | 106.9 | E543 | E543-K545 PolarHBondContact O-N 3.15Å; E543-K545 WeakPolarHBondContact OE1-CE 3.38Å; E543-K545 IonicContact OE1-NZ 3.9Å; E543-K545 PolarHBondContact OE1-NZ 3.31Å |
| 546 | S | 28.2 | Very low | 32.5 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 60% | 0.601 | 73% | 0.726 | S | S | * | * | | | cis | -173 | 168.3 | 4.5 | 47.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 547 | N | 26.5 | Very low | 33.1 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | | | trans | 69.6 | 151.5 | 157.4 | -55.9 | -20.1 | 0 | 0 | 0 | 117 | | |
| 548 | H | 29.1 | Very low | 33.3 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 69% | 0.694 | 72% | 0.721 | S | S | * | * | | | cis | -140.9 | 141.9 | -13.8 | -96.3 | -52.2 | 0 | 0 | 0 | 105.6 | | |
| 549 | D | 27 | Very low | 34.2 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 56% | 0.561 | 72% | 0.719 | S | S | * | * | | | cis | 95.9 | 133.6 | 43.4 | -177.3 | 33.1 | 0 | 0 | 0 | 113.3 | | |
| 550 | K | 34.1 | Very low | 34.5 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | | | trans | 67.8 | 144.1 | -173.4 | -62.5 | 123.1 | -177.2 | 155.6 | 0 | 116 | | |
| 551 | N | 30.9 | Very low | 35.3 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | | | cis | -163.8 | 166.2 | 1.7 | -117 | 10.9 | 0 | 0 | 0 | 108.9 | | |
| 552 | V | 31.2 | Very low | 36.2 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 72% | 0.721 | 70% | 0.701 | S | S | * | * | | | cis | -151.3 | -122.3 | -4.7 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 553 | L | 33.8 | Very low | 36.7 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 71% | 0.712 | 69% | 0.692 | S | S | * | * | | | trans | -122 | -179.9 | -174.2 | -62.5 | 163.3 | 0 | 0 | 0 | 111.2 | | |
| 554 | P | 46.2 | Very low | 37.5 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | | | | -128.3 | 138.7 | 74.6 | 37.2 | -27.6 | 0 | 0 | 0 | 114.5 | | |
| 555 | D | 37.9 | Very low | 37.9 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 58% | 0.578 | 70% | 0.696 | S | S | * | * | | | trans | -133.3 | 93.7 | 165.8 | -174.9 | 7.5 | 0 | 0 | 0 | 108.3 | | |
| 556 | E | 45.6 | Very low | 38.4 | Very low | 163 Ų | 163 | 133 Ų | 133 | 76% | 0.762 | 70% | 0.698 | S | S | * | * | | | trans | -125.8 | 3.9 | -167.6 | -132.9 | 169.1 | -165.7 | 0 | 0 | 112.7 | | |
| 557 | V | 44.3 | Very low | 38.7 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 69% | 0.691 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -105.7 | -23.7 | -176.6 | -177.4 | 0 | 0 | 0 | 0 | 112 | | |
| 558 | L | 44.3 | Very low | 39.3 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 60% | 0.602 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -82.1 | -26.3 | -177.6 | -142.9 | 69.7 | 0 | 0 | 0 | 113.5 | | |
| 559 | Q | 45.3 | Very low | 39.4 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -27.6 | -174.2 | -154 | 67.5 | 27.4 | 0 | 0 | 113.7 | | |
| 560 | T | 47.2 | Very low | 39.6 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 64% | 0.644 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -14.1 | -176.6 | 33.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 561 | L | 42.8 | Very low | 39.5 | Very low | 136 Ų | 136 | 139.1 Ų | 139.1 | 71% | 0.712 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -22.2 | -179.9 | -93.4 | 160.9 | 0 | 0 | 0 | 114.2 | | |
| 562 | L | 47.3 | Very low | 39.4 | Very low | 135 Ų | 135 | 140 Ų | 140 | 71% | 0.707 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -30.2 | -178.7 | -84.6 | 156.3 | 0 | 0 | 0 | 113.3 | H564 | L562-H564 VanDerWaalsContact C-N 3.28Å; L562-H564 PolarHBondContact O-N 3.39Å |
| 563 | D | 40.4 | Very low | 40.7 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 66% | 0.658 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -74.5 | -18.7 | -174.3 | -134.2 | 18.8 | 0 | 0 | 0 | 113.3 | Y565 | D563-Y565 VanDerWaalsContact C-N 3.28Å; D563-Y565 PolarHBondContact O-N 3.45Å |
| 564 | H | 43.8 | Very low | 40.4 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 78% | 0.782 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -80.3 | -0.7 | -172.7 | -143.7 | -56.4 | 0 | 0 | 0 | 114.9 | L562 | L562-H564 VanDerWaalsContact C-N 3.28Å; L562-H564 PolarHBondContact O-N 3.39Å |
| 565 | Y | 40.8 | Very low | 39.7 | Very low | 224 Ų | 224 | 139.7 Ų | 139.7 | 88% | 0.878 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -119 | -5.6 | -174.5 | -102.7 | -78 | 0 | 0 | 0 | 116.3 | D563 | D563-Y565 VanDerWaalsContact C-N 3.28Å; D563-Y565 PolarHBondContact O-N 3.45Å |
| 566 | S | 40.8 | Very low | 39.2 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -106.4 | -5.1 | -169.8 | -145.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 567 | N | 33.7 | Very low | 38.3 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | | | trans | -106.8 | 81.8 | -170.9 | -92.7 | -54.6 | 0 | 0 | 0 | 114.6 | | |
| 568 | K | 38.8 | Very low | 37.6 | Very low | 213 Ų | 213 | 140.7 Ų | 140.7 | 93% | 0.926 | 75% | 0.75 | S | S | * | * | | | trans | -154.3 | 41.8 | 160.5 | -136 | 172.8 | -171.6 | 176.2 | 0 | 117.1 | | |
| 569 | A | 31.6 | Very low | 36.9 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 87% | 0.868 | 76% | 0.761 | S | S | * | * | | | trans | -139.8 | 103.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 570 | N | 31.4 | Very low | 36.2 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -119 | 112.5 | 175.3 | 175.9 | 18.9 | 0 | 0 | 0 | 109.3 | | |
| 571 | V | 31.2 | Very low | 35.4 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | | | trans | -165.9 | 132.5 | 146.3 | 143.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 572 | Q | 29.3 | Very low | 35 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | trans | -116.6 | 172.4 | 170.3 | -85.2 | -94.2 | 2 | 0 | 0 | 107.6 | | |
| 573 | P | 57.4 | Low | 34.4 | Very low | 88 Ų | 88 | 141 Ų | 141 | 57% | 0.571 | 77% | 0.771 | S | S | * | * | | | cis | -128.8 | -175.4 | -4.9 | 26.1 | -1.9 | 0 | 0 | 0 | 113.3 | | |
| 574 | D | 27.7 | Very low | 33.9 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | | 156.8 | 145.3 | 109 | -94.7 | -36.1 | 0 | 0 | 0 | 117.3 | | |
| 575 | I | 31.3 | Very low | 33.4 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | | | trans | 71.4 | 82.5 | 159.6 | -55.4 | 152.2 | 0 | 0 | 0 | 119.7 | | |
| 576 | S | 27.7 | Very low | 32.9 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | | | | 43.9 | 140.6 | 111.9 | -44.9 | 0 | 0 | 0 | 0 | 125.5 | | |
| 577 | F | 26.4 | Very low | 32.5 | Very low | 203 Ų | 203 | 133.1 Ų | 133.1 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | | | trans | 72.7 | 148.7 | 157.2 | -65.5 | -62.3 | 0 | 0 | 0 | 118.5 | | |
| 578 | S | 30.4 | Very low | 32.2 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | | | cis | -155.4 | 172.4 | -3.3 | 42.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 579 | V | 30.1 | Very low | 31.7 | Very low | 137 Ų | 137 | 128.5 Ų | 128.5 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | | | trans | -99.2 | 136.1 | 179.7 | 174.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 580 | A | 31 | Very low | 31.6 | Very low | 86 Ų | 86 | 131.2 Ų | 131.2 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | trans | -171.7 | 111.6 | 152.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 581 | D | 29.9 | Very low | 31.4 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | | | | 89.6 | 157.1 | 73.4 | -81.3 | -39 | 0 | 0 | 0 | 113.3 | | |
| 582 | T | 34.6 | Very low | 31.5 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | 74.3 | 142.3 | 176.8 | 74.4 | 0 | 0 | 0 | 0 | 117.1 | | |
| 583 | E | 33.7 | Very low | 31.7 | Very low | 166 Ų | 166 | 127.6 Ų | 127.6 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | cis | -167.5 | 170.9 | -24.1 | -121.1 | 173.4 | -126.4 | 0 | 0 | 111.8 | | |
| 584 | V | 31 | Very low | 30.3 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 64% | 0.642 | 77% | 0.766 | S | S | * | * | | | trans | 60.2 | 105.7 | 141.5 | 169.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 585 | T | 32 | Very low | 30.6 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | | | trans | 66 | 140.9 | 141.8 | 62.9 | 0 | 0 | 0 | 0 | 123.1 | | |
| 586 | S | 31.4 | Very low | 30.6 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | -93 | 137.2 | 163.5 | 39.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 587 | S | 31.2 | Very low | 30.7 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | -165.4 | 113.2 | 157.6 | -82.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 588 | I | 27 | Very low | 30.9 | Very low | 154 Ų | 154 | 128.2 Ų | 128.2 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | | 90.3 | 145 | 73.5 | -75.6 | 164.6 | 0 | 0 | 0 | 112.3 | | |
| 589 | S | 28.5 | Very low | 31 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | 63.7 | 105.3 | 170.4 | 52.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 590 | I | 31.2 | Very low | 31.8 | Very low | 161 Ų | 161 | 127 Ų | 127 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | | | trans | -74.9 | 139 | 142.1 | -58.6 | 164.8 | 0 | 0 | 0 | 107.2 | | |
| 591 | N | 26.9 | Very low | 31.9 | Very low | 159 Ų | 159 | 128 Ų | 128 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | | | trans | -150.1 | 153.3 | 147.5 | -147.9 | 2.9 | 0 | 0 | 0 | 111.2 | | |
| 592 | S | 33.7 | Very low | 32 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | -100.5 | 149.1 | -162.5 | -49.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 593 | S | 31.7 | Very low | 31.9 | Very low | 115 Ų | 115 | 128 Ų | 128 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -162.1 | 149.3 | 150.4 | 58.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 594 | D | 29.7 | Very low | 31.8 | Very low | 149 Ų | 149 | 128.5 Ų | 128.5 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | trans | -62 | 158.1 | -179.9 | -47.5 | -105.5 | 0 | 0 | 0 | 115.1 | | |
| 595 | V | 33.1 | Very low | 31.7 | Very low | 150 Ų | 150 | 127.5 Ų | 127.5 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | | | | -164.6 | 163 | 112 | -93.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 596 | S | 31.7 | Very low | 31.6 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | | | trans | -103.2 | 174 | -167.3 | -50.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 597 | E | 29.8 | Very low | 31.8 | Very low | 198 Ų | 198 | 127.3 Ų | 127.3 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | | | trans | 74.2 | 149.8 | 154.4 | -72.4 | 173.3 | -151.1 | 0 | 0 | 119.8 | | |
| 598 | G | 30.5 | Very low | 32 | Very low | 78 Ų | 78 | 128.4 Ų | 128.4 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | 131.8 | 55.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 599 | S | 32.8 | Very low | 32.5 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -84.3 | 142.6 | 160.5 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 600 | P | 45.9 | Very low | 33 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | | -146.9 | 134 | 112 | 35.1 | -18.3 | 0 | 0 | 0 | 116.8 | | |
| 601 | V | 32.5 | Very low | 33.7 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 66% | 0.655 | 80% | 0.8 | S | S | * | * | | | | 63.5 | 105.7 | 123.1 | -177.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 602 | E | 33 | Very low | 34.8 | Very low | 172 Ų | 172 | 123.7 Ų | 123.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | 68.5 | 150 | 141 | -67 | -163.2 | 84.2 | 0 | 0 | 121.1 | | |
| 603 | S | 31.8 | Very low | 35.7 | Very low | 87 Ų | 87 | 122 Ų | 122 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | | | cis | -161.9 | 173.1 | -8.9 | -111.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 604 | L | 31.5 | Very low | 36.7 | Very low | 175 Ų | 175 | 123.8 Ų | 123.8 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | | | trans | 77.2 | 103.5 | 167.1 | -59.8 | 171.4 | 0 | 0 | 0 | 120.4 | | |
| 605 | G | 29.6 | Very low | 37.9 | Very low | 85 Ų | 85 | 124.6 Ų | 124.6 | 88% | 0.876 | 78% | 0.775 | S | S | * | * | | | | 118.6 | 119 | 121.8 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 606 | G | 30.5 | Very low | 39 | Very low | 79 Ų | 79 | 121 Ų | 121 | 81% | 0.814 | 76% | 0.757 | S | S | * | * | | | trans | 111.6 | 88 | 151 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 607 | N | 34.4 | Very low | 40.9 | Very low | 161 Ų | 161 | 119.6 Ų | 119.6 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | | | trans | -52.2 | 136.8 | -179.6 | -64.4 | 0.3 | 0 | 0 | 0 | 115.7 | | |
| 608 | S | 36.9 | Very low | 43 | Very low | 128 Ų | 128 | 116 Ų | 116 | 90% | 0.895 | 73% | 0.733 | S | S | * | * | | | trans | -151.9 | 125.7 | 142 | -79.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 609 | Q | 37.3 | Very low | 44.9 | Very low | 194 Ų | 194 | 118 Ų | 118 | 91% | 0.907 | 73% | 0.725 | S | S | * | * | | | trans | -107.5 | 131.7 | -163.5 | -173.8 | 171.9 | -12 | 0 | 0 | 112.1 | | |
| 610 | A | 39 | Very low | 47.1 | Very low | 87 Ų | 87 | 119 Ų | 119 | 72% | 0.719 | 72% | 0.717 | S | S | * | * | | | trans | -101.7 | 141.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 611 | P | 44.8 | Very low | 48.9 | Very low | 109 Ų | 109 | 119.9 Ų | 119.9 | 71% | 0.708 | 71% | 0.712 | S | S | * | * | | | trans | -113.9 | 95.7 | 170.4 | 35.9 | -25.2 | 0 | 0 | 0 | 112.5 | | |
| 612 | S | 50.8 | Low | 51 | Low | 93 Ų | 93 | 121.5 Ų | 121.5 | 65% | 0.65 | 71% | 0.707 | S | S | * | * | | | trans | -125.7 | -26.1 | 170.5 | 60 | 0 | 0 | 0 | 0 | 114.1 | E614 | S612-E614 PolarHBondContact O-N 3.48Š|
| 613 | A | 51.8 | Low | 53.4 | Low | 70 Ų | 70 | 116.2 Ų | 116.2 | 58% | 0.579 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -69.9 | -29.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K615 S616 S617 | A613-K615 VanDerWaalsContact C-N 3.33Å; A613-K615 PolarHBondContact O-N 2.75Å; A613-S616 PolarHBondContact O-N 3.41Å; A613-S616 PolarHBondContact O-OG 2.99Å; A613-S617 WeakPolarHBondContact O-CB 3.23Å; A613-S617 PolarHBondContact O-N 3.04Å |
| 614 | E | 53.1 | Low | 56 | Low | 152 Ų | 152 | 118.8 Ų | 118.8 | 71% | 0.71 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -65.2 | -36.2 | -177.6 | -65.1 | 178.1 | 150.9 | 0 | 0 | 112.2 | S612 S617 L618 | S612-E614 PolarHBondContact O-N 3.48Å; E614-S617 PolarHBondContact O-N 2.75Å; E614-L618 VanDerWaalsContact O-CB 3.26Å; E614-L618 WeakPolarHBondContact O-CB 3.42Å; E614-L618 PolarHBondContact O-N 3.43Å |
| 615 | K | 54.2 | Low | 58.8 | Low | 165 Ų | 165 | 116.9 Ų | 116.9 | 72% | 0.717 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -70.3 | -37.4 | -178.8 | -70.1 | -179.8 | -180 | 173.9 | 0 | 112.6 | A613 L619 | A613-K615 VanDerWaalsContact C-N 3.33Å; A613-K615 PolarHBondContact O-N 2.75Å; K615-L619 WeakPolarHBondContact O-CB 3.44Å; K615-L619 VanDerWaalsContact O-CG 3.31Å; K615-L619 WeakPolarHBondContact O-CG 3.4Å; K615-L619 PolarHBondContact O-N 3.13Å; K615-L619 VanDerWaalsContact O-N 3.11Å |
| 616 | S | 57.8 | Low | 61.4 | Low | 76 Ų | 76 | 116.7 Ų | 116.7 | 53% | 0.531 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -72.2 | -38.5 | 173.6 | 47.8 | 0 | 0 | 0 | 0 | 111.6 | A613 L619 H620 | A613-S616 PolarHBondContact O-N 3.41Å; A613-S616 PolarHBondContact O-OG 2.99Å; S616-L619 PolarHBondContact O-N 3.47Å; S616-H620 WeakPolarHBondContact O-CB 3.5Å; S616-H620 PolarHBondContact O-N 3.1Å |
| 617 | S | 70.4 | Confident | 63.8 | Low | 73 Ų | 73 | 119.1 Ų | 119.1 | 51% | 0.51 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -60.1 | -48.2 | 173.2 | -165.3 | 0 | 0 | 0 | 0 | 111.8 | A613 E614 L619 H620 E621 | A613-S617 WeakPolarHBondContact O-CB 3.23Å; A613-S617 PolarHBondContact O-N 3.04Å; E614-S617 PolarHBondContact O-N 2.75Å; S617-L619 PolarHBondContact O-N 3.21Å; S617-H620 PolarHBondContact O-N 3.27Å; S617-E621 WeakPolarHBondContact O-CB 3.46Å; S617-E621 PolarHBondContact O-N 2.82Å |
| 618 | L | 74.3 | Confident | 66.2 | Low | 121 Ų | 121 | 116.3 Ų | 116.3 | 63% | 0.634 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.8 | -31.8 | -177.7 | -166 | 144.2 | 0 | 0 | 0 | 112.6 | E614 Y622 | E614-L618 VanDerWaalsContact O-CB 3.26Å; E614-L618 WeakPolarHBondContact O-CB 3.42Å; E614-L618 PolarHBondContact O-N 3.43Å; L618-Y622 VanDerWaalsContact O-CB 3.25Å; L618-Y622 WeakPolarHBondContact O-CB 3.47Å; L618-Y622 PolarHBondContact O-N 3.14Å |
| 619 | L | 70.9 | Confident | 68.1 | Low | 120 Ų | 120 | 112.4 Ų | 112.4 | 63% | 0.628 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.5 | -40.1 | 169.5 | -77.9 | 169.5 | 0 | 0 | 0 | 112.5 | K615 S616 S617 Y622 S623 | K615-L619 WeakPolarHBondContact O-CB 3.44Å; K615-L619 VanDerWaalsContact O-CG 3.31Å; K615-L619 WeakPolarHBondContact O-CG 3.4Å; K615-L619 PolarHBondContact O-N 3.13Å; K615-L619 VanDerWaalsContact O-N 3.11Å; S616-L619 PolarHBondContact O-N 3.47Å; S617-L619 PolarHBondContact O-N 3.21Å; L619-Y622 PolarHBondContact O-N 3.36Å; L619-S623 WeakPolarHBondContact O-CB 3.33Å; L619-S623 PolarHBondContact O-N 3.4Å |
| 620 | H | 79.4 | Confident | 70.1 | Confident | 133 Ų | 133 | 108.7 Ų | 108.7 | 62% | 0.616 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.4 | -40.8 | 176 | -176 | 57.6 | 0 | 0 | 0 | 111.6 | S616 S617 S623 K624 | S616-H620 WeakPolarHBondContact O-CB 3.5Å; S616-H620 PolarHBondContact O-N 3.1Å; S617-H620 PolarHBondContact O-N 3.27Å; H620-S623 WeakPolarHBondContact O-CB 3.42Å; H620-S623 PolarHBondContact O-N 2.88Å; H620-K624 WeakPolarHBondContact O-CB 3.47Å; H620-K624 PolarHBondContact O-N 2.94Å |
| 621 | E | 82.8 | Confident | 71.9 | Confident | 130 Ų | 130 | 109.8 Ų | 109.8 | 61% | 0.607 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.3 | -39.9 | 175.3 | -172.7 | 158 | -139.9 | 0 | 0 | 112.3 | S617 K624 F625 | S617-E621 WeakPolarHBondContact O-CB 3.46Å; S617-E621 PolarHBondContact O-N 2.82Å; E621-K624 PolarHBondContact O-N 3.46Å; E621-F625 WeakPolarHBondContact O-CB 3.44Å; E621-F625 PolarHBondContact O-N 3.47Å |
| 622 | Y | 76.4 | Confident | 73.2 | Confident | 142 Ų | 142 | 111.4 Ų | 111.4 | 56% | 0.557 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63 | -40.8 | 172.2 | -175.6 | -109.4 | 0 | 0 | 0 | 112.4 | L618 L619 F625 L626 | L618-Y622 VanDerWaalsContact O-CB 3.25Å; L618-Y622 WeakPolarHBondContact O-CB 3.47Å; L618-Y622 PolarHBondContact O-N 3.14Å; L619-Y622 PolarHBondContact O-N 3.36Å; Y622-F625 PolarHBondContact O-N 2.95Å; Y622-L626 HydrophobicContact CD1-CD1 3.92Å; Y622-L626 HydrophobicContact CE1-CD1 3.51Å; Y622-L626 HydrophobicContact CE1-CG 4.3Å; Y622-L626 PolarHBondContact O-N 3Å |
| 623 | S | 83.6 | Confident | 73.9 | Confident | 61 Ų | 61 | 110.7 Ų | 110.7 | 43% | 0.427 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.3 | -45.9 | 173 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | L619 H620 F625 L626 Q627 | L619-S623 WeakPolarHBondContact O-CB 3.33Å; L619-S623 PolarHBondContact O-N 3.4Å; H620-S623 WeakPolarHBondContact O-CB 3.42Å; H620-S623 PolarHBondContact O-N 2.88Å; S623-F625 VanDerWaalsContact C-N 3.34Å; S623-F625 PolarHBondContact O-N 3.26Å; S623-L626 PolarHBondContact O-N 3.39Å; S623-Q627 WeakPolarHBondContact O-CB 3.47Å; S623-Q627 PolarHBondContact O-N 2.97Å |
| 624 | K | 85.4 | Confident | 74.8 | Confident | 140 Ų | 140 | 110.4 Ų | 110.4 | 61% | 0.609 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.8 | -37.7 | 176.5 | -168.9 | 175.6 | -176.3 | 177.4 | 0 | 112.5 | H620 E621 Q627 Q628 | H620-K624 WeakPolarHBondContact O-CB 3.47Å; H620-K624 PolarHBondContact O-N 2.94Å; E621-K624 PolarHBondContact O-N 3.46Å; K624-Q627 PolarHBondContact O-N 3.19Å; K624-Q628 WeakPolarHBondContact O-CB 3.23Å; K624-Q628 PolarHBondContact O-N 3.05Å |
| 625 | F | 90.7 | Very high | 75 | Confident | 136 Ų | 136 | 108 Ų | 108 | 60% | 0.596 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.1 | -44.6 | 174.5 | -176.5 | -91.5 | 0 | 0 | 0 | 112.1 | E621 Y622 S623 Q627 Q628 A629 | E621-F625 WeakPolarHBondContact O-CB 3.44Å; E621-F625 PolarHBondContact O-N 3.47Å; Y622-F625 PolarHBondContact O-N 2.95Å; S623-F625 VanDerWaalsContact C-N 3.34Å; S623-F625 PolarHBondContact O-N 3.26Å; F625-Q627 VanDerWaalsContact C-N 3.33Å; F625-Q627 PolarHBondContact O-N 2.91Å; F625-Q628 PolarHBondContact O-N 3.05Å; F625-A629 WeakPolarHBondContact O-CB 3.42Å; F625-A629 PolarHBondContact O-N 2.94Å |
| 626 | L | 84.9 | Confident | 75 | Confident | 80 Ų | 80 | 105.1 Ų | 105.1 | 42% | 0.419 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 173.8 | -79.2 | 168.7 | 0 | 0 | 0 | 111.7 | Y622 S623 A629 L630 | Y622-L626 HydrophobicContact CD1-CD1 3.92Å; Y622-L626 HydrophobicContact CE1-CD1 3.51Å; Y622-L626 HydrophobicContact CE1-CG 4.3Å; Y622-L626 PolarHBondContact O-N 3Å; S623-L626 PolarHBondContact O-N 3.39Å; L626-A629 WeakPolarHBondContact O-CB 3.31Å; L626-A629 PolarHBondContact O-N 3.23Å; L626-L630 WeakPolarHBondContact O-CG 3.48Å; L626-L630 PolarHBondContact O-N 3.02Å |
| 627 | Q | 81.3 | Confident | 74.8 | Confident | 130 Ų | 130 | 106.4 Ų | 106.4 | 61% | 0.607 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.8 | -42.5 | 179 | -144.5 | 155.7 | 20.6 | 0 | 0 | 111.3 | S623 K624 F625 A629 L630 E631 | S623-Q627 WeakPolarHBondContact O-CB 3.47Å; S623-Q627 PolarHBondContact O-N 2.97Å; K624-Q627 PolarHBondContact O-N 3.19Å; F625-Q627 VanDerWaalsContact C-N 3.33Å; F625-Q627 PolarHBondContact O-N 2.91Å; Q627-A629 VanDerWaalsContact C-N 3.3Å; Q627-A629 PolarHBondContact O-N 3.27Å; Q627-L630 PolarHBondContact O-N 2.8Å; Q627-E631 WeakPolarHBondContact O-CB 3.42Å; Q627-E631 PolarHBondContact O-N 2.77Å |
| 628 | Q | 83.4 | Confident | 73.8 | Confident | 103 Ų | 103 | 106.5 Ų | 106.5 | 48% | 0.481 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.4 | -24.9 | 174.3 | -162.9 | 179.9 | 41.5 | 0 | 0 | 113.6 | K624 F625 R632 | K624-Q628 WeakPolarHBondContact O-CB 3.23Å; K624-Q628 PolarHBondContact O-N 3.05Å; F625-Q628 PolarHBondContact O-N 3.05Å; Q628-R632 PolarHBondContact O-N 3.43Å |
| 629 | A | 76.9 | Confident | 72.4 | Confident | 45 Ų | 45 | 108.5 Ų | 108.5 | 37% | 0.372 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.2 | -43.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F625 L626 Q627 R632 T633 | F625-A629 WeakPolarHBondContact O-CB 3.42Å; F625-A629 PolarHBondContact O-N 2.94Å; L626-A629 WeakPolarHBondContact O-CB 3.31Å; L626-A629 PolarHBondContact O-N 3.23Å; Q627-A629 VanDerWaalsContact C-N 3.3Å; Q627-A629 PolarHBondContact O-N 3.27Å; A629-R632 PolarHBondContact O-N 3.36Å; A629-T633 PolarHBondContact O-N 3.36Å; A629-T633 PolarHBondContact O-OG1 2.85Å |
| 630 | L | 79.9 | Confident | 71.4 | Confident | 116 Ų | 116 | 108.2 Ų | 108.2 | 61% | 0.607 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.7 | -42.9 | 176.2 | -72.1 | 167.1 | 0 | 0 | 0 | 112.2 | L626 Q627 R632 T633 S634 | L626-L630 WeakPolarHBondContact O-CG 3.48Å; L626-L630 PolarHBondContact O-N 3.02Å; Q627-L630 PolarHBondContact O-N 2.8Å; L630-R632 VanDerWaalsContact C-N 3.26Å; L630-R632 PolarHBondContact O-N 3.47Å; L630-T633 WeakPolarHBondContact CA-OG1 3.48Å; L630-T633 PolarHBondContact O-N 2.92Å; L630-T633 PolarHBondContact O-OG1 3.29Å; L630-S634 PolarHBondContact O-N 2.9Å |
| 631 | E | 77.5 | Confident | 69.7 | Low | 110 Ų | 110 | 105.5 Ų | 105.5 | 51% | 0.514 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -54.6 | -40.9 | 171.4 | -167.2 | 89.2 | -124.8 | 0 | 0 | 111.8 | Q627 S634 Q635 | Q627-E631 WeakPolarHBondContact O-CB 3.42Å; Q627-E631 PolarHBondContact O-N 2.77Å; E631-S634 PolarHBondContact O-OG 3.04Å; E631-Q635 WeakPolarHBondContact O-CB 3.41Å; E631-Q635 VanDerWaalsContact O-CG 3.23Å; E631-Q635 WeakPolarHBondContact O-CG 3.25Å; E631-Q635 PolarHBondContact O-N 3.38Å; E631-Q635 VanDerWaalsContact O-N 3.15Å |
| 632 | R | 70.6 | Confident | 67.8 | Low | 143 Ų | 143 | 102.8 Ų | 102.8 | 54% | 0.54 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -76.2 | -23.4 | 176.8 | -78.4 | -167.6 | 170.9 | 102.4 | 2.1 | 113.8 | Q628 A629 L630 N636 | Q628-R632 PolarHBondContact O-N 3.43Å; A629-R632 PolarHBondContact O-N 3.36Å; L630-R632 VanDerWaalsContact C-N 3.26Å; L630-R632 PolarHBondContact O-N 3.47Å; R632-N636 PolarHBondContact O-N 3.28Å; R632-N636 PolarHBondContact O-ND2 2.94Å |
| 633 | T | 67 | Low | 66.5 | Low | 78 Ų | 78 | 103.3 Ų | 103.3 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.4 | -47.3 | 169.5 | 40.9 | 0 | 0 | 0 | 0 | 111.7 | A629 L630 Q635 N636 D637 | A629-T633 PolarHBondContact O-N 3.36Å; A629-T633 PolarHBondContact O-OG1 2.85Å; L630-T633 WeakPolarHBondContact CA-OG1 3.48Å; L630-T633 PolarHBondContact O-N 2.92Å; L630-T633 PolarHBondContact O-OG1 3.29Å; T633-Q635 VanDerWaalsContact C-N 3.3Å; T633-Q635 PolarHBondContact O-N 3.03Å; T633-N636 PolarHBondContact O-N 2.93Å; T633-D637 PolarHBondContact O-N 3.36Å; T633-D637 VanDerWaalsContact O-N 3.1Å |
| 634 | S | 69.4 | Low | 64.5 | Low | 64 Ų | 64 | 105 Ų | 105 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.5 | -36.1 | 179.4 | 61.5 | 0 | 0 | 0 | 0 | 112.8 | L630 E631 N636 D637 S638 | L630-S634 PolarHBondContact O-N 2.9Å; E631-S634 PolarHBondContact O-OG 3.04Å; S634-N636 VanDerWaalsContact C-N 3.33Å; S634-N636 PolarHBondContact O-N 2.91Å; S634-D637 PolarHBondContact O-N 2.98Å; S634-S638 PolarHBondContact O-N 2.86Å |
| 635 | Q | 57.8 | Low | 62.4 | Low | 102 Ų | 102 | 105.4 Ų | 105.4 | 48% | 0.477 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.7 | -32.9 | 173.3 | -72.3 | 172.8 | 11.7 | 0 | 0 | 113 | E631 T633 Y639 | E631-Q635 WeakPolarHBondContact O-CB 3.41Å; E631-Q635 VanDerWaalsContact O-CG 3.23Å; E631-Q635 WeakPolarHBondContact O-CG 3.25Å; E631-Q635 PolarHBondContact O-N 3.38Å; E631-Q635 VanDerWaalsContact O-N 3.15Å; T633-Q635 VanDerWaalsContact C-N 3.3Å; T633-Q635 PolarHBondContact O-N 3.03Å; Q635-Y639 WeakPolarHBondContact O-CD2 3.43Å; Q635-Y639 PolarHBondContact O-N 3.41Å |
| 636 | N | 53.9 | Low | 59.8 | Low | 104 Ų | 104 | 104.3 Ų | 104.3 | 56% | 0.556 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -73.3 | -39.1 | 175.2 | -83 | -71.6 | 0 | 0 | 0 | 112.2 | R632 T633 S634 S638 Y639 L640 | R632-N636 PolarHBondContact O-N 3.28Å; R632-N636 PolarHBondContact O-ND2 2.94Å; T633-N636 PolarHBondContact O-N 2.93Å; S634-N636 VanDerWaalsContact C-N 3.33Å; S634-N636 PolarHBondContact O-N 2.91Å; N636-S638 VanDerWaalsContact C-N 3.29Å; N636-S638 PolarHBondContact O-N 3.19Å; N636-Y639 WeakPolarHBondContact O-CB 3.39Å; N636-Y639 PolarHBondContact O-N 3.48Å; N636-Y639 VanDerWaalsContact O-N 3.13Å; N636-L640 PolarHBondContact O-N 2.87Å; N636-L640 VanDerWaalsContact O-N 3.13Å |
| 637 | D | 53.9 | Low | 57.2 | Low | 103 Ų | 103 | 110.5 Ų | 110.5 | 55% | 0.551 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.7 | -35.8 | 175.2 | -67.2 | -40 | 0 | 0 | 0 | 111.6 | T633 S634 Y639 L640 S641 | T633-D637 PolarHBondContact O-N 3.36Å; T633-D637 VanDerWaalsContact O-N 3.1Å; S634-D637 PolarHBondContact O-N 2.98Å; D637-Y639 VanDerWaalsContact C-N 3.35Å; D637-Y639 PolarHBondContact O-N 2.97Å; D637-L640 PolarHBondContact O-N 3.46Å; D637-S641 WeakPolarHBondContact O-CB 3.26Å; D637-S641 PolarHBondContact O-N 3.43Å |
| 638 | S | 49.2 | Very low | 54.8 | Low | 75 Ų | 75 | 110.7 Ų | 110.7 | 52% | 0.524 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.7 | -38.3 | 170.9 | -171.2 | 0 | 0 | 0 | 0 | 112.9 | S634 N636 L640 S641 S642 | S634-S638 PolarHBondContact O-N 2.86Å; N636-S638 VanDerWaalsContact C-N 3.29Å; N636-S638 PolarHBondContact O-N 3.19Å; S638-L640 VanDerWaalsContact C-N 3.35Å; S638-L640 PolarHBondContact O-N 3.11Å; S638-S641 PolarHBondContact O-N 3.37Å; S638-S642 WeakPolarHBondContact O-CB 3.41Å; S638-S642 PolarHBondContact O-N 3.49Å; S638-S642 PolarHBondContact O-OG 3.47Å |
| 639 | Y | 45.7 | Very low | 52.2 | Low | 163 Ų | 163 | 112.1 Ų | 112.1 | 64% | 0.639 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.3 | -28.4 | 174.8 | -101.7 | -81.3 | 0 | 0 | 0 | 113.9 | Q635 N636 D637 S642 | Q635-Y639 WeakPolarHBondContact O-CD2 3.43Å; Q635-Y639 PolarHBondContact O-N 3.41Å; N636-Y639 WeakPolarHBondContact O-CB 3.39Å; N636-Y639 PolarHBondContact O-N 3.48Å; N636-Y639 VanDerWaalsContact O-N 3.13Å; D637-Y639 VanDerWaalsContact C-N 3.35Å; D637-Y639 PolarHBondContact O-N 2.97Å; Y639-S642 PolarHBondContact O-OG 3.39Å |
| 640 | L | 49.8 | Very low | 49.9 | Very low | 115 Ų | 115 | 118.8 Ų | 118.8 | 60% | 0.602 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -80.4 | -38.3 | 174.4 | -67.8 | 172.5 | 0 | 0 | 0 | 112.1 | N636 D637 S638 S644 | N636-L640 PolarHBondContact O-N 2.87Å; N636-L640 VanDerWaalsContact O-N 3.13Å; D637-L640 PolarHBondContact O-N 3.46Å; S638-L640 VanDerWaalsContact C-N 3.35Å; S638-L640 PolarHBondContact O-N 3.11Å; L640-S644 PolarHBondContact O-OG 2.88Å |
| 641 | S | 43.8 | Very low | 47.6 | Very low | 76 Ų | 76 | 117.8 Ų | 117.8 | 53% | 0.531 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -64.8 | -44.7 | 175.8 | -169.6 | 0 | 0 | 0 | 0 | 111.9 | D637 S638 Q643 S644 | D637-S641 WeakPolarHBondContact O-CB 3.26Å; D637-S641 PolarHBondContact O-N 3.43Å; S638-S641 PolarHBondContact O-N 3.37Å; S641-Q643 PolarHBondContact O-N 2.82Å; S641-S644 WeakPolarHBondContact O-CB 3.41Å; S641-S644 PolarHBondContact O-N 2.95Å |
| 642 | S | 43.7 | Very low | 46 | Very low | 73 Ų | 73 | 116.9 Ų | 116.9 | 51% | 0.51 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -68.3 | -29.9 | -179 | 50.7 | 0 | 0 | 0 | 0 | 114.4 | S638 Y639 S644 | S638-S642 WeakPolarHBondContact O-CB 3.41Å; S638-S642 PolarHBondContact O-N 3.49Å; S638-S642 PolarHBondContact O-OG 3.47Å; Y639-S642 PolarHBondContact O-OG 3.39Å; S642-S644 PolarHBondContact O-N 2.99Å |
| 643 | Q | 47.3 | Very low | 44 | Very low | 153 Ų | 153 | 112.9 Ų | 112.9 | 72% | 0.715 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -10.3 | 170.7 | -74.7 | -173.1 | 15.9 | 0 | 0 | 113.8 | S641 | S641-Q643 PolarHBondContact O-N 2.82Š|
| 644 | S | 41.6 | Very low | 42.3 | Very low | 95 Ų | 95 | 115.2 Ų | 115.2 | 66% | 0.664 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -3.6 | -175.3 | -58.5 | 0 | 0 | 0 | 0 | 114.3 | L640 S641 S642 | L640-S644 PolarHBondContact O-OG 2.88Å; S641-S644 WeakPolarHBondContact O-CB 3.41Å; S641-S644 PolarHBondContact O-N 2.95Å; S642-S644 PolarHBondContact O-N 2.99Å |
| 645 | L | 41.9 | Very low | 40.3 | Very low | 149 Ų | 149 | 115.7 Ų | 115.7 | 78% | 0.78 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -130.2 | 40.8 | -172 | -74.7 | 176.2 | 0 | 0 | 0 | 114.8 | | |
| 646 | T | 35.6 | Very low | 38.9 | Very low | 113 Ų | 113 | 118.3 Ų | 118.3 | 69% | 0.693 | 66% | 0.661 | S | S | * | * | | | trans | -140.6 | 83 | 165.7 | 32.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 647 | F | 31.3 | Very low | 37.7 | Very low | 210 Ų | 210 | 121.8 Ų | 121.8 | 92% | 0.921 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -172 | 135.6 | 143.5 | -101.7 | -59.1 | 0 | 0 | 0 | 113 | | |
| 648 | V | 30.7 | Very low | 37.6 | Very low | 134 Ų | 134 | 121.3 Ų | 121.3 | 81% | 0.812 | 68% | 0.676 | S | S | * | * | | | trans | 74.6 | 73.3 | 167.7 | -159.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 649 | T | 28 | Very low | 36.7 | Very low | 134 Ų | 134 | 123.9 Ų | 123.9 | 82% | 0.822 | 68% | 0.683 | S | S | * | * | | | trans | -139.6 | 143.2 | 133.7 | 56.5 | 0 | 0 | 0 | 0 | 105.2 | | |
| 650 | E | 28.5 | Very low | 36 | Very low | 185 Ų | 185 | 124.9 Ų | 124.9 | 86% | 0.864 | 69% | 0.691 | S | S | * | * | | | cis | -140.8 | -162.4 | 12.9 | -61 | 174.5 | 110.1 | 0 | 0 | 111.7 | | |
| 651 | S | 31.5 | Very low | 35.1 | Very low | 95 Ų | 95 | 122.2 Ų | 122.2 | 66% | 0.664 | 68% | 0.682 | S | S | * | * | | | trans | -145.2 | 175.3 | 171.4 | 56.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 652 | P | 45.3 | Very low | 34.5 | Very low | 90 Ų | 90 | 121 Ų | 121 | 58% | 0.584 | 67% | 0.672 | S | S | * | * | | | cis | -143.2 | -175.7 | 12.7 | 39.3 | -17.3 | 0 | 0 | 0 | 117.4 | E788 T789 | P652-E788 WeakPolarHBondContact CB-O 3.46Å; P652-T789 CarbonylContact C-O 3.6Å |
| 653 | S | 28.7 | Very low | 33.8 | Very low | 59 Ų | 59 | 123.2 Ų | 123.2 | 41% | 0.413 | 67% | 0.674 | S | S | . | * | | | trans | 94 | 145.4 | 135.9 | 77.7 | 0 | 0 | 0 | 0 | 125.4 | E788 T789 | S653-E788 WeakPolarHBondContact CA-O 3.13Å; S653-E788 PolarHBondContact N-O 2.62Å; S653-T789 PolarHBondContact N-O 3.03Å; S653-T789 VanDerWaalsContact N-O 3.09Å |
| 654 | L | 30.9 | Very low | 33.2 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 67% | 0.67 | 67% | 0.672 | S | S | * | * | | | trans | 93.2 | 94.1 | 152.6 | -58.2 | -170.5 | 0 | 0 | 0 | 122.7 | E788 | L654-E788 WeakPolarHBondContact CA-OE2 3.3Å; L654-E788 PolarHBondContact N-OE2 2.97Å |
| 655 | S | 28.2 | Very low | 32.5 | Very low | 74 Ų | 74 | 128.1 Ų | 128.1 | 52% | 0.517 | 68% | 0.684 | S | S | . | * | | | | 98 | 150.4 | 113.4 | 78.8 | 0 | 0 | 0 | 0 | 123.5 | E788 | S655-E788 PolarHBondContact N-OE2 3.35Š|
| 656 | N | 28 | Very low | 31.9 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 84% | 0.84 | 69% | 0.686 | S | S | * | * | | | trans | 90.8 | 132.3 | 157.5 | -65.5 | -59.2 | 0 | 0 | 0 | 122 | | |
| 657 | Q | 29.2 | Very low | 32.3 | Very low | 176 Ų | 176 | 131.5 Ų | 131.5 | 82% | 0.822 | 69% | 0.691 | S | S | * | * | | | trans | -112.7 | -165.7 | 177.8 | -85.1 | -94.8 | 10.8 | 0 | 0 | 108.5 | | |
| 658 | P | 51.4 | Low | 32.4 | Very low | 93 Ų | 93 | 126 Ų | 126 | 60% | 0.604 | 68% | 0.679 | S | S | * | * | | | cis | -130.6 | -170.7 | -17 | 19.6 | 5.6 | 0 | 0 | 0 | 114.7 | | |
| 659 | L | 30.4 | Very low | 33.1 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 68% | 0.675 | 68% | 0.681 | S | S | * | * | | | | 148.4 | 116.8 | 116.8 | -73 | 169 | 0 | 0 | 0 | 116.4 | | |
| 660 | F | 29.6 | Very low | 33.2 | Very low | 185 Ų | 185 | 124.5 Ų | 124.5 | 81% | 0.811 | 68% | 0.677 | S | S | * | * | | | trans | 55.4 | 160.7 | 140.6 | -64.9 | -42.4 | 0 | 0 | 0 | 122.2 | | |
| 661 | S | 31.1 | Very low | 33.3 | Very low | 58 Ų | 58 | 125.9 Ų | 125.9 | 41% | 0.406 | 67% | 0.674 | S | S | . | * | | | cis | -177.2 | 174.3 | -10.8 | -96.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 662 | T | 32 | Very low | 33.1 | Very low | 52 Ų | 52 | 129.5 Ų | 129.5 | 32% | 0.319 | 68% | 0.678 | S | S | . | * | | | cis | -118.8 | -123.7 | -41.5 | 48.1 | 0 | 0 | 0 | 0 | 108.3 | L448 L449 | L448-T662 VanDerWaalsContact CB-O 3.25Å; L448-T662 WeakPolarHBondContact CB-O 3.36Å; L449-T662 HydrophobicContact CD1-CG2 3.78Å |
| 663 | E | 29.3 | Very low | 32.3 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 55% | 0.551 | 69% | 0.685 | S | S | * | * | | | cis | -150.8 | -126.9 | 8.1 | -170.7 | 35.2 | -149 | 0 | 0 | 112.4 | | |
| 664 | K | 34.3 | Very low | 32.3 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 68% | 0.683 | 71% | 0.709 | S | S | * | * | | | trans | -150.8 | 148.7 | -161.8 | -59.9 | 178.2 | -169.4 | 84.6 | 0 | 114.7 | | |
| 665 | Q | 27.8 | Very low | 32.1 | Very low | 194 Ų | 194 | 130 Ų | 130 | 91% | 0.907 | 71% | 0.706 | S | S | * | * | | | | -177.2 | 156.6 | 110.1 | -101.2 | -177.8 | -8.7 | 0 | 0 | 114.6 | | |
| 666 | Y | 28.5 | Very low | 32.5 | Very low | 208 Ų | 208 | 134 Ų | 134 | 82% | 0.816 | 73% | 0.728 | S | S | * | * | | | trans | -127.8 | 155.7 | -178.8 | -104.1 | -75.2 | 0 | 0 | 0 | 108.9 | | |
| 667 | P | 44.7 | Very low | 32.5 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | | | | -150.3 | 161.5 | 93.4 | 38.5 | -20.9 | 0 | 0 | 0 | 117 | | |
| 668 | S | 31.9 | Very low | 32.7 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 66% | 0.664 | 73% | 0.725 | S | S | * | * | | | trans | -91.1 | 171.1 | 167.6 | -48.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 669 | P | 47.1 | Very low | 31.6 | Very low | 131 Ų | 131 | 133 Ų | 133 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | | | | -148.4 | 175.6 | 98.2 | 39.1 | -22.7 | 0 | 0 | 0 | 115.9 | | |
| 670 | S | 29.4 | Very low | 31.4 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | | | trans | -109.3 | 168.5 | 178.6 | 58.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 671 | R | 30.5 | Very low | 31.5 | Very low | 213 Ų | 213 | 129 Ų | 129 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | | | trans | 168.7 | 148.3 | 137.6 | -95.5 | 160.7 | -171.3 | -168.5 | 4.1 | 116.1 | | |
| 672 | F | 27.1 | Very low | 31.4 | Very low | 171 Ų | 171 | 133.2 Ų | 133.2 | 75% | 0.75 | 76% | 0.756 | S | S | * | * | | | trans | 53.4 | 161 | 143.8 | -62.9 | -44.7 | 0 | 0 | 0 | 121.9 | | |
| 673 | T | 27.9 | Very low | 31.4 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | | | | -178.9 | 152.9 | -57.3 | 29.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 674 | A | 28.9 | Very low | 32.1 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | | | trans | 69.2 | 153 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 675 | G | 28.1 | Very low | 31.9 | Very low | 59 Ų | 59 | 135.9 Ų | 135.9 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | | | cis | -174 | -168.5 | -1.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 676 | T | 35.3 | Very low | 31.9 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 98% | 0.975 | 79% | 0.791 | S | S | * | * | | | trans | 71.1 | 145 | -171.5 | 76.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 677 | G | 28.7 | Very low | 31.9 | Very low | 69 Ų | 69 | 132 Ų | 132 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | cis | -179.1 | 87.4 | -7.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 678 | K | 33 | Very low | 31.2 | Very low | 208 Ų | 208 | 132.1 Ų | 132.1 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | | | trans | 47.2 | 133.7 | 145.9 | -63.6 | -176.6 | 175.2 | -177.2 | 0 | 123.5 | | |
| 679 | S | 28.8 | Very low | 31.1 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | | | trans | 71 | 149.8 | 145.6 | -155.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 680 | G | 26.6 | Very low | 30.2 | Very low | 61 Ų | 61 | 137 Ų | 137 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | | | cis | 156.8 | 143.8 | -15 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 681 | M | 31.7 | Very low | 30.4 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | | | trans | 70.1 | 145.1 | 160.8 | -58.9 | -171.1 | 73.3 | 0 | 0 | 122.3 | | |
| 682 | N | 28.4 | Very low | 31.2 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | trans | 80.4 | 132.6 | 153.1 | -58.8 | -20.2 | 0 | 0 | 0 | 122.2 | | |
| 683 | S | 31.9 | Very low | 31.3 | Very low | 115 Ų | 115 | 135 Ų | 135 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -76.3 | 166.8 | 165.5 | -37.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 684 | P | 43.8 | Very low | 31.3 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | | | | -162.6 | 157.3 | 94.5 | 40.2 | -20.2 | 0 | 0 | 0 | 119.6 | | |
| 685 | L | 29.9 | Very low | 31.3 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | | | trans | 60 | 172.7 | 145.4 | -61.6 | 168.3 | 0 | 0 | 0 | 118.5 | | |
| 686 | R | 28.1 | Very low | 31.4 | Very low | 227 Ų | 227 | 142.6 Ų | 142.6 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | | | cis | -149.4 | 168.4 | -0.1 | -144.5 | 176.8 | -171.1 | -177 | 3.5 | 112.9 | | |
| 687 | S | 28 | Very low | 31.3 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | | | trans | -83.2 | 164.9 | 178.4 | 56.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 688 | T | 30.3 | Very low | 31.3 | Very low | 127 Ų | 127 | 145.6 Ų | 145.6 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | | | trans | -169.4 | 128.8 | 136.8 | 20.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 689 | L | 30.3 | Very low | 31 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | | | | 72.8 | 144.4 | 103.8 | -111.1 | 70.3 | 0 | 0 | 0 | 115.3 | | |
| 690 | E | 27.4 | Very low | 31 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | | | cis | -141.3 | -178.7 | 16.1 | -87 | -166.1 | 109.5 | 0 | 0 | 114.7 | | |
| 691 | K | 33.2 | Very low | 31.2 | Very low | 171 Ų | 171 | 142.2 Ų | 142.2 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | -118.8 | 158.4 | 164.7 | -71.3 | -178.7 | 175.5 | 178.8 | 0 | 110.4 | | |
| 692 | P | 48.2 | Very low | 31.3 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | | -136 | 158.2 | 101 | 36.4 | -25.5 | 0 | 0 | 0 | 112.7 | | |
| 693 | H | 29.8 | Very low | 31.4 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | | | cis | 92.8 | 150.2 | 34.2 | -104.2 | -83.1 | 0 | 0 | 0 | 116.8 | | |
| 694 | F | 27.9 | Very low | 31.3 | Very low | 212 Ų | 212 | 142.5 Ų | 142.5 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | | | trans | 84 | 138.9 | -169.9 | -61.1 | -79.2 | 0 | 0 | 0 | 116.8 | | |
| 695 | G | 28.6 | Very low | 30.5 | Very low | 66 Ų | 66 | 147.3 Ų | 147.3 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | | | cis | 164.1 | 114.6 | -16.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 696 | L | 29.9 | Very low | 30.4 | Very low | 170 Ų | 170 | 144.9 Ų | 144.9 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | | | trans | 67.9 | 171.1 | 149.6 | -72.4 | 169.3 | 0 | 0 | 0 | 122 | | |
| 697 | L | 32.1 | Very low | 30.3 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | 75.4 | 124 | -178.9 | -60.7 | 161.8 | 0 | 0 | 0 | 114.6 | | |
| 698 | V | 29.6 | Very low | 30.5 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | | | cis | 73.6 | 119.7 | 19.2 | -166.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 699 | G | 27.1 | Very low | 30.5 | Very low | 73 Ų | 73 | 141.3 Ų | 141.3 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | trans | 167.5 | 116.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 700 | D | 28.5 | Very low | 30.5 | Very low | 152 Ų | 152 | 141 Ų | 141 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | trans | -94.4 | -169 | 178.1 | -62.4 | -81.3 | 0 | 0 | 0 | 113.2 | | |
| 701 | S | 30.3 | Very low | 31.1 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | | | trans | 86.4 | 124.1 | 168.2 | -55.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 702 | Q | 34.4 | Very low | 31.4 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | | | | 88.7 | 163.7 | 52.1 | -74.1 | -170.1 | 34 | 0 | 0 | 113.7 | | |
| 703 | H | 30.9 | Very low | 30.8 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 75% | 0.75 | 78% | 0.778 | S | S | * | * | | | trans | 73.4 | 117.4 | -164 | -54.8 | -83.6 | 0 | 0 | 0 | 113.2 | | |
| 704 | S | 28.9 | Very low | 30.8 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | cis | 75 | 105.8 | 24.3 | -38.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 705 | F | 26.8 | Very low | 30.8 | Very low | 210 Ų | 210 | 131.1 Ų | 131.1 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | | | trans | -155.1 | 165.4 | 144.8 | -102.2 | -69.5 | 0 | 0 | 0 | 109.8 | | |
| 706 | S | 27.6 | Very low | 31 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -140.8 | -162.8 | -160.6 | -52.5 | 0 | 0 | 0 | 0 | 113 | | |
| 707 | F | 27 | Very low | 31 | Very low | 206 Ų | 206 | 131.2 Ų | 131.2 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | | | trans | 78.3 | 140.9 | -176.1 | -88.7 | -123.2 | 0 | 0 | 0 | 115.4 | | |
| 708 | S | 31.2 | Very low | 30.9 | Very low | 103 Ų | 103 | 128.6 Ų | 128.6 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | | | cis | -151 | 149.8 | -4.6 | 43.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 709 | G | 30.4 | Very low | 32.1 | Very low | 65 Ų | 65 | 127.7 Ų | 127.7 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | | | | 97 | 135.7 | 91.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 710 | D | 30.7 | Very low | 32.2 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | | | cis | -141.2 | 153.1 | 11 | -75.3 | -27.5 | 0 | 0 | 0 | 112.2 | | |
| 711 | E | 39.8 | Very low | 32.4 | Very low | 174 Ų | 174 | 131 Ų | 131 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | | | | 38.6 | 153.2 | 129.8 | -49.9 | -160 | 133.9 | 0 | 0 | 122.1 | | |
| 712 | T | 39.6 | Very low | 32.4 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | | | cis | -141.7 | 145.1 | 26.5 | 47.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 713 | T | 35 | Very low | 32.1 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 69% | 0.693 | 77% | 0.765 | S | S | * | * | | | trans | 29.6 | 143.9 | 140 | 65.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 714 | T | 30.8 | Very low | 32.3 | Very low | 122 Ų | 122 | 131 Ų | 131 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | cis | -176.7 | 166.5 | -0.9 | 25.4 | 0 | 0 | 0 | 0 | 107.5 | | |
| 715 | S | 27.6 | Very low | 32.4 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | | | cis | 179.5 | 144.3 | -33.5 | -90.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 716 | A | 32.9 | Very low | 32.5 | Very low | 98 Ų | 98 | 127.2 Ų | 127.2 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | | | trans | 69.1 | 160.5 | 163 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 717 | V | 30.3 | Very low | 32.6 | Very low | 141 Ų | 141 | 128.8 Ų | 128.8 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | | | cis | -127 | 164.2 | 12.9 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 718 | S | 29.6 | Very low | 32.7 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | | | trans | -94.9 | -144.7 | -174.3 | -53.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 719 | P | 55.4 | Low | 32.8 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | | | | -126.7 | -140.4 | -117.6 | 41.8 | -20.2 | 0 | 0 | 0 | 113.6 | | |
| 720 | T | 28.6 | Very low | 32.8 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | | | trans | 68.4 | 120.4 | 175.6 | 40.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 721 | E | 33.6 | Very low | 33 | Very low | 176 Ų | 176 | 128.4 Ų | 128.4 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | | | | 92.4 | 169.5 | 68.7 | -77.8 | -164.6 | 166.5 | 0 | 0 | 112.8 | | |
| 722 | D | 29.1 | Very low | 32.7 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | | | trans | 89.3 | 138.8 | -164.4 | -63 | -19.2 | 0 | 0 | 0 | 115.8 | | |
| 723 | F | 29.4 | Very low | 32.3 | Very low | 166 Ų | 166 | 128.9 Ų | 128.9 | 73% | 0.728 | 76% | 0.76 | S | S | * | * | | | cis | -147.6 | 135.1 | -1.5 | -122.1 | -146 | 0 | 0 | 0 | 108 | | |
| 724 | L | 33.4 | Very low | 32.2 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | | | | 70.8 | 143.6 | 95.8 | -81.3 | 174.2 | 0 | 0 | 0 | 119 | | |
| 725 | E | 31.2 | Very low | 32.4 | Very low | 171 Ų | 171 | 128.3 Ų | 128.3 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | | | trans | 56.3 | 153.3 | 176.4 | -98 | 55 | -127.7 | 0 | 0 | 119.2 | | |
| 726 | G | 30.2 | Very low | 32.7 | Very low | 62 Ų | 62 | 132.9 Ų | 132.9 | 64% | 0.639 | 77% | 0.768 | S | S | * | * | | | cis | 159.6 | 142.4 | -11.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 727 | V | 29.8 | Very low | 32.6 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | | | trans | 74.2 | 98.6 | 151.5 | -167.2 | 0 | 0 | 0 | 0 | 122 | | |
| 728 | A | 29 | Very low | 32.8 | Very low | 90 Ų | 90 | 131.8 Ų | 131.8 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | | | | 45.9 | 110.3 | 128.2 | 0 | 0 | 0 | 0 | 0 | 125.6 | | |
| 729 | S | 31.9 | Very low | 32.9 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | | | | 52.1 | 115.7 | 108.1 | -164.6 | 0 | 0 | 0 | 0 | 123.6 | | |
| 730 | S | 31.5 | Very low | 31.8 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | | | trans | -176.7 | 176.6 | 139.6 | -84 | 0 | 0 | 0 | 0 | 112.7 | | |
| 731 | K | 34.3 | Very low | 31.9 | Very low | 189 Ų | 189 | 133.1 Ų | 133.1 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | | | | 164.8 | 110.4 | -62.3 | 173.7 | -177 | 177.9 | -178.4 | 0 | 111.6 | | |
| 732 | K | 32.7 | Very low | 31.7 | Very low | 190 Ų | 190 | 133.2 Ų | 133.2 | 83% | 0.826 | 73% | 0.734 | S | S | * | * | | | trans | 166.6 | 130.5 | 159.8 | -97.2 | 172.2 | -179.4 | -175.5 | 0 | 111.5 | | |
| 733 | T | 32.6 | Very low | 31.7 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | | | | 62.7 | 139.4 | 81.5 | 68.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 734 | D | 32.4 | Very low | 31.7 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | | | cis | -166.3 | 163.2 | 0 | -114.9 | -33.9 | 0 | 0 | 0 | 114.6 | | |
| 735 | A | 34.3 | Very low | 31.5 | Very low | 74 Ų | 74 | 130.4 Ų | 130.4 | 61% | 0.612 | 73% | 0.729 | S | S | * | * | | | trans | 60.9 | 132.5 | 142.1 | 0 | 0 | 0 | 0 | 0 | 126.8 | | |
| 736 | Q | 35 | Very low | 31.3 | Very low | 200 Ų | 200 | 127.7 Ų | 127.7 | 94% | 0.935 | 72% | 0.724 | S | S | * | * | | | trans | 62.3 | 152.1 | 138 | -63.3 | 167.3 | 0.5 | 0 | 0 | 121.2 | | |
| 737 | G | 29.9 | Very low | 31.3 | Very low | 61 Ų | 61 | 133.1 Ų | 133.1 | 63% | 0.629 | 73% | 0.73 | S | S | * | * | | | cis | 160 | 146.7 | -11.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 738 | L | 35.2 | Very low | 31.3 | Very low | 156 Ų | 156 | 132.4 Ų | 132.4 | 82% | 0.817 | 72% | 0.722 | S | S | * | * | | | trans | 68.8 | 171.8 | 167.4 | -75.2 | 62.5 | 0 | 0 | 0 | 115 | | |
| 739 | H | 31.2 | Very low | 31.6 | Very low | 149 Ų | 149 | 134 Ų | 134 | 69% | 0.69 | 71% | 0.714 | S | S | * | * | | | cis | -165.4 | 176 | -0.1 | -124.8 | -162.9 | 0 | 0 | 0 | 109.7 | | |
| 740 | Q | 33.1 | Very low | 31.4 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 57% | 0.565 | 71% | 0.709 | S | S | * | * | | | cis | -165.4 | 138.5 | -5.2 | -148.6 | -168.8 | -92.8 | 0 | 0 | 113.4 | | |
| 741 | T | 30.1 | Very low | 31.2 | Very low | 91 Ų | 91 | 137.8 Ų | 137.8 | 56% | 0.558 | 71% | 0.708 | S | S | * | * | | | trans | 64.2 | 160.4 | 141.3 | 44.8 | 0 | 0 | 0 | 0 | 128 | | |
| 742 | Y | 30.3 | Very low | 31.6 | Very low | 177 Ų | 177 | 133.9 Ų | 133.9 | 69% | 0.694 | 70% | 0.702 | S | S | * | * | | | trans | 96.8 | 122.4 | 156.8 | -56.9 | -63.3 | 0 | 0 | 0 | 117.1 | | |
| 743 | Q | 27.6 | Very low | 31.6 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 72% | 0.724 | 70% | 0.695 | S | S | * | * | | | cis | 91.3 | 143.8 | 44.2 | -81.9 | -164 | -11.5 | 0 | 0 | 113.4 | | |
| 744 | I | 30 | Very low | 31.4 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 67% | 0.667 | 71% | 0.707 | S | S | * | * | | | cis | -168.5 | 147.2 | -18.2 | -141.8 | 172.5 | 0 | 0 | 0 | 109.3 | | |
| 745 | S | 28.7 | Very low | 31.2 | Very low | 94 Ų | 94 | 135.6 Ų | 135.6 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | | | trans | 62.5 | 170.6 | 151 | -62.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 746 | T | 28.5 | Very low | 31 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 69% | 0.693 | 72% | 0.718 | S | S | * | * | | | cis | -171.2 | 177.7 | -20 | 33.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 747 | F | 28.5 | Very low | 30.9 | Very low | 177 Ų | 177 | 135.6 Ų | 135.6 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | | | trans | 78.8 | 156 | 156 | -85.1 | -95.3 | 0 | 0 | 0 | 120.2 | | |
| 748 | D | 30.4 | Very low | 31.2 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 66% | 0.663 | 71% | 0.708 | S | S | * | * | | | cis | -176 | 171.4 | -46.3 | -163 | 10.3 | 0 | 0 | 0 | 111.7 | | |
| 749 | Q | 35.5 | Very low | 31.3 | Very low | 124 Ų | 124 | 141 Ų | 141 | 58% | 0.579 | 71% | 0.709 | S | S | * | * | | | trans | 93.4 | 141.5 | 134.5 | -114.4 | 164.7 | 85.2 | 0 | 0 | 125 | | |
| 750 | N | 28.2 | Very low | 31.5 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 68% | 0.684 | 71% | 0.713 | S | S | * | * | | | trans | 90.9 | 110.1 | 162.1 | -54.6 | -50.7 | 0 | 0 | 0 | 118.3 | | |
| 751 | F | 26.6 | Very low | 31.4 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 81% | 0.807 | 72% | 0.72 | S | S | * | * | | | | 78.2 | 149.1 | 57.9 | -85.3 | -92 | 0 | 0 | 0 | 114.6 | | |
| 752 | P | 42.8 | Very low | 31.5 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | | | cis | -139.2 | 156.3 | 10.9 | 42 | -23.5 | 0 | 0 | 0 | 120.2 | | |
| 753 | S | 32.6 | Very low | 31.5 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | | | trans | 23.2 | 140.3 | 141.1 | 71.2 | 0 | 0 | 0 | 0 | 125.6 | | |
| 754 | Q | 28.8 | Very low | 31.6 | Very low | 193 Ų | 193 | 135.5 Ų | 135.5 | 90% | 0.902 | 74% | 0.74 | S | S | * | * | | | | -153.5 | 172.1 | 107.6 | -138.9 | 172.9 | 6.6 | 0 | 0 | 112 | | |
| 755 | F | 28.6 | Very low | 31.6 | Very low | 191 Ų | 191 | 137.4 Ų | 137.4 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | | | trans | -137.9 | 153.9 | -166.1 | -112.1 | -93.7 | 0 | 0 | 0 | 111.7 | | |
| 756 | Q | 29.9 | Very low | 31.6 | Very low | 175 Ų | 175 | 141.8 Ų | 141.8 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | | -175.8 | 129.6 | 119.2 | -103.4 | -171.3 | 20.6 | 0 | 0 | 114.9 | | |
| 757 | T | 31.9 | Very low | 31.6 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 61% | 0.607 | 76% | 0.757 | S | S | * | * | | | trans | 44.5 | 145.9 | 138.3 | 3.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 758 | S | 36 | Very low | 31.5 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | | | cis | -161.4 | 174.5 | 20.2 | -29.6 | 0 | 0 | 0 | 0 | 109 | | |
| 759 | R | 38.9 | Very low | 31.7 | Very low | 225 Ų | 225 | 136.8 Ų | 136.8 | 85% | 0.849 | 75% | 0.746 | S | S | * | * | | | cis | -177.1 | 168.2 | -18.9 | -110.6 | -175.6 | 170.6 | -171.5 | -2.8 | 104.3 | | |
| 760 | S | 35.1 | Very low | 31.6 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | cis | -169.4 | 165.1 | -4.7 | 37.2 | 0 | 0 | 0 | 0 | 105.4 | | |
| 761 | G | 31.2 | Very low | 31.8 | Very low | 68 Ų | 68 | 135.3 Ų | 135.3 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | | | cis | 172 | 168 | 6.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 762 | I | 32.4 | Very low | 31.9 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 80% | 0.795 | 76% | 0.762 | S | S | * | * | | | | -175.8 | 113.3 | 55.2 | -85.3 | 162.3 | 0 | 0 | 0 | 103.3 | | |
| 763 | T | 29.5 | Very low | 31.1 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | | 50.8 | 142.8 | 95 | 63.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 764 | S | 29.1 | Very low | 30.8 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | | | cis | -153.4 | -154.3 | 18.9 | -156.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 765 | Q | 31.6 | Very low | 30.6 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | | | trans | -110.7 | 160.4 | -154.4 | -66.8 | 174.4 | -8.6 | 0 | 0 | 117.6 | | |
| 766 | F | 26.7 | Very low | 30.4 | Very low | 186 Ų | 186 | 135.3 Ų | 135.3 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | | | trans | 13.4 | 140.3 | 147.3 | -71.9 | -95.4 | 0 | 0 | 0 | 122.2 | | |
| 767 | T | 29.2 | Very low | 30.1 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | | | | -174 | 145.4 | 117.7 | -73.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 768 | I | 27.8 | Very low | 29.9 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 47% | 0.472 | 76% | 0.757 | S | S | . | * | | | trans | -140 | 148.5 | 155.9 | -70.4 | -163.7 | 0 | 0 | 0 | 109.3 | H102 P104 | H102-I768 VanDerWaalsContact CE1-CB 3.42Å; H102-I768 WeakPolarHBondContact CE1-CB 3.49Å; H102-I768 VanDerWaalsContact NE2-CB 3.32Å; H102-I768 WeakPolarHBondContact NE2-CB 3.47Å; H102-I768 VanDerWaalsContact NE2-CG2 3.26Å; H102-I768 WeakPolarHBondContact NE2-CG2 3.43Å; P104-I768 HydrophobicContact CB-CD1 3.95Å; P104-I768 HydrophobicContact CG-CD1 3.88Å; P104-I768 HydrophobicContact CG-CG1 4.27Å |
| 769 | A | 33.7 | Very low | 29.5 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | | | trans | -128.5 | 162.4 | 167 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 770 | N | 32.9 | Very low | 29 | Very low | 152 Ų | 152 | 128.3 Ų | 128.3 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | | | trans | -85.9 | 156.4 | -171.7 | -62.2 | -60.1 | 0 | 0 | 0 | 114.3 | | |
| 771 | G | 32 | Very low | 28.7 | Very low | 70 Ų | 70 | 128.5 Ų | 128.5 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | | | trans | 161.9 | 105.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 772 | Q | 28.6 | Very low | 28.6 | Very low | 187 Ų | 187 | 133.4 Ų | 133.4 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | | | cis | 87.5 | 141.1 | 44.8 | -160.2 | -172 | 25.5 | 0 | 0 | 112.9 | | |
| 773 | V | 27.2 | Very low | 28.4 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 74% | 0.739 | 74% | 0.737 | S | S | * | * | | | trans | 74.8 | 122.1 | -179.6 | -167.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 774 | S | 25.2 | Very low | 28.4 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | | | cis | 94 | 153.3 | 24.2 | -160.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 775 | L | 26.2 | Very low | 28.4 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | | | trans | 62.6 | 164.5 | -171.1 | -76.3 | 89.4 | 0 | 0 | 0 | 115.8 | | |
| 776 | R | 23.2 | Very low | 29.2 | Very low | 215 Ų | 215 | 133.4 Ų | 133.4 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | | | cis | -176.3 | 147.7 | -41.1 | -155 | -171.1 | -167.1 | -179.3 | 2.8 | 107.2 | | |
| 777 | S | 23.4 | Very low | 29.6 | Very low | 76 Ų | 76 | 130.5 Ų | 130.5 | 53% | 0.531 | 73% | 0.727 | S | S | . | * | | | trans | 57.7 | 137.2 | 144.2 | 61.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 778 | H | 28.4 | Very low | 29.8 | Very low | 188 Ų | 188 | 128.4 Ų | 128.4 | 87% | 0.87 | 71% | 0.708 | S | S | * | * | | | trans | 66.1 | 141.3 | 165.4 | -50.7 | -67.6 | 0 | 0 | 0 | 116.4 | | |
| 779 | G | 26.9 | Very low | 30.1 | Very low | 57 Ų | 57 | 127.6 Ų | 127.6 | 59% | 0.588 | 71% | 0.708 | S | S | * | * | | | cis | 138.5 | 155.1 | -1.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 780 | T | 29.7 | Very low | 30.1 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 83% | 0.834 | 71% | 0.711 | S | S | * | * | | | trans | 61.8 | 154.6 | -177.9 | 36.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 781 | D | 27 | Very low | 30 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 62% | 0.615 | 70% | 0.699 | S | S | * | * | | | cis | -158.1 | 167.5 | 16.9 | -137.9 | -15.7 | 0 | 0 | 0 | 113.4 | | |
| 782 | F | 29.1 | Very low | 30.2 | Very low | 171 Ų | 171 | 134.3 Ų | 134.3 | 75% | 0.75 | 70% | 0.7 | S | S | * | * | | | trans | 61.1 | 128.9 | 167.4 | -64.9 | -65.4 | 0 | 0 | 0 | 118.9 | | |
| 783 | S | 30.1 | Very low | 30.5 | Very low | 93 Ų | 93 | 131.3 Ų | 131.3 | 65% | 0.65 | 69% | 0.69 | S | S | * | * | | | | 65.8 | 139.7 | 76.1 | -87.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 784 | E | 28.3 | Very low | 30.6 | Very low | 176 Ų | 176 | 132.2 Ų | 132.2 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | | | cis | -155.8 | 171.8 | -3.7 | -150.7 | 153.7 | 127.3 | 0 | 0 | 110.9 | | |
| 785 | F | 28.6 | Very low | 30.8 | Very low | 196 Ų | 196 | 132.8 Ų | 132.8 | 86% | 0.86 | 69% | 0.694 | S | S | * | * | | | trans | -84.7 | -177.8 | 173.9 | -92.8 | -78 | 0 | 0 | 0 | 111.5 | | |
| 786 | P | 49.5 | Very low | 31 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 66% | 0.662 | 70% | 0.695 | S | S | * | * | | | cis | -138.4 | -160.3 | -11.4 | 21 | 6.9 | 0 | 0 | 0 | 115.6 | | |
| 787 | I | 34.3 | Very low | 32.3 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 64% | 0.641 | 69% | 0.686 | S | S | * | * | | | trans | 93.9 | 122.8 | 145.6 | 4.6 | 179.2 | 0 | 0 | 0 | 124.9 | | |
| 788 | E | 33.2 | Very low | 32.5 | Very low | 83 Ų | 83 | 128.9 Ų | 128.9 | 39% | 0.388 | 70% | 0.698 | S | S | . | * | | | | 115.6 | 130.1 | 119 | -120.3 | -174.8 | -152.9 | 0 | 0 | 123.1 | P652 S653 L654 S655 | P652-E788 WeakPolarHBondContact CB-O 3.46Å; S653-E788 WeakPolarHBondContact CA-O 3.13Å; S653-E788 PolarHBondContact N-O 2.62Å; L654-E788 WeakPolarHBondContact CA-OE2 3.3Å; L654-E788 PolarHBondContact N-OE2 2.97Å; S655-E788 PolarHBondContact N-OE2 3.35Å |
| 789 | T | 34.1 | Very low | 32.6 | Very low | 75 Ų | 75 | 123.9 Ų | 123.9 | 46% | 0.46 | 69% | 0.69 | S | S | . | * | | | trans | 47.6 | 116.5 | 143.7 | 41.2 | 0 | 0 | 0 | 0 | 125.7 | P652 S653 | P652-T789 CarbonylContact C-O 3.6Å; S653-T789 PolarHBondContact N-O 3.03Å; S653-T789 VanDerWaalsContact N-O 3.09Å |
| 790 | R | 33.4 | Very low | 32.8 | Very low | 212 Ų | 212 | 127.9 Ų | 127.9 | 80% | 0.8 | 70% | 0.703 | S | S | * | * | | | | 58.1 | 91.6 | 97.2 | -161.4 | -178.9 | -172.6 | 168.7 | 2.4 | 122.9 | | |
| 791 | S | 32.3 | Very low | 33 | Very low | 83 Ų | 83 | 126 Ų | 126 | 58% | 0.58 | 70% | 0.695 | S | S | * | * | | | | 20.8 | 135.5 | 130 | 66.9 | 0 | 0 | 0 | 0 | 123.5 | | |
| 792 | Q | 36.7 | Very low | 33.2 | Very low | 159 Ų | 159 | 125.7 Ų | 125.7 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | | | | 175.5 | 147.7 | 105 | -102.4 | -162.4 | 114.7 | 0 | 0 | 118.5 | | |
| 793 | L | 34.5 | Very low | 33.8 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 65% | 0.649 | 71% | 0.709 | S | S | * | * | | | trans | 73.7 | 126.5 | 145.7 | -67.4 | 166 | 0 | 0 | 0 | 124.3 | | |
| 794 | N | 29.2 | Very low | 34.2 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | | | trans | 62.5 | 155.3 | 144.3 | -51.2 | -14.2 | 0 | 0 | 0 | 119 | | |
| 795 | S | 28.6 | Very low | 34.2 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | | | cis | -147.5 | 168 | 11.6 | -46.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 796 | S | 30.3 | Very low | 35.1 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | | | trans | -78.1 | 170.3 | 158.5 | -129.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 797 | P | 51.8 | Low | 34.4 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 63% | 0.63 | 75% | 0.754 | S | S | * | * | | | | -150.9 | -167.7 | 52.4 | 44.8 | -23.6 | 0 | 0 | 0 | 117.3 | | |
| 798 | D | 27.2 | Very low | 34.4 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | | | trans | 59.2 | 124.4 | 157.4 | -55.6 | -31.3 | 0 | 0 | 0 | 119.8 | | |
| 799 | A | 29.8 | Very low | 34.5 | Very low | 84 Ų | 84 | 131.1 Ų | 131.1 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | | | cis | 103 | 105.9 | 29.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 800 | T | 31.4 | Very low | 34.5 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | | | trans | -164.7 | 144.7 | 146.1 | -0.1 | 0 | 0 | 0 | 0 | 114 | | |
| 801 | S | 33.3 | Very low | 34.5 | Very low | 97 Ų | 97 | 129.5 Ų | 129.5 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | | | trans | 29.3 | 112.5 | 150.9 | 60.7 | 0 | 0 | 0 | 0 | 122.6 | | |
| 802 | S | 32.9 | Very low | 34.7 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | | | | 53.7 | 108.3 | 110.2 | -45.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 803 | Q | 40.6 | Very low | 34.6 | Very low | 188 Ų | 188 | 130.7 Ų | 130.7 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | | | | -160.4 | 130.2 | 123.4 | -100 | 158.3 | 44.3 | 0 | 0 | 107.4 | | |
| 804 | T | 37.6 | Very low | 34.6 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 72% | 0.718 | 83% | 0.831 | S | S | * | * | | | | 87 | 97.5 | 57.2 | -57.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 805 | F | 30.2 | Very low | 35 | Very low | 210 Ų | 210 | 130.4 Ų | 130.4 | 92% | 0.921 | 84% | 0.838 | S | S | * | * | | | trans | 49.9 | 119.9 | 155.6 | -81.7 | -93.4 | 0 | 0 | 0 | 121.1 | | |
| 806 | G | 46.6 | Very low | 35.6 | Very low | 150 Ų | 150 | 131.8 Ų | 131.8 | 100% | 1.546 | 84% | 0.841 | S | S | * | * | | | trans | -150.9 | 0 | 154.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |