| 1 | M | 38.3 | Very low | 32.9 | Very low | 242 Ų | 242 | 149.5 Ų | 149.5 | 100% | 1.192 | 83% | 0.825 | S | S | * | * | | | | 0 | 119.8 | 0 | -70.7 | 178.5 | -173.9 | 0 | 0 | 106.6 | C3 | M1-C3 PolarHBondContact O-N 3.1Š|
| 2 | G | 35.2 | Very low | 32.8 | Very low | 76 Ų | 76 | 154.3 Ų | 154.3 | 78% | 0.784 | 84% | 0.836 | S | S | * | * | | | trans | -77.8 | 117.4 | -163.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T4 | G2-T4 PolarHBondContact O-N 3.14Š|
| 3 | C | 32.9 | Very low | 32.5 | Very low | 122 Ų | 122 | 155.8 Ų | 155.8 | 82% | 0.824 | 84% | 0.835 | S | S | * | * | | | trans | -78.9 | 96.8 | 163.3 | -62.3 | 0 | 0 | 0 | 0 | 107.5 | M1 F5 | M1-C3 PolarHBondContact O-N 3.1Å; C3-F5 PolarHBondContact O-N 3.04Å |
| 4 | T | 37.2 | Very low | 32.2 | Very low | 116 Ų | 116 | 155.2 Ų | 155.2 | 71% | 0.712 | 83% | 0.83 | S | S | * | * | | | trans | -76.2 | 118.1 | 169.8 | 41.9 | 0 | 0 | 0 | 0 | 109.3 | G2 F6 | G2-T4 PolarHBondContact O-N 3.14Å; T4-F6 PolarHBondContact O-N 3.09Å |
| 5 | F | 30.3 | Very low | 32.9 | Very low | 194 Ų | 194 | 151.7 Ų | 151.7 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | | | trans | -54.6 | 117 | 168.3 | -77.1 | -102.7 | 0 | 0 | 0 | 110.3 | C3 | C3-F5 PolarHBondContact O-N 3.04Š|
| 6 | F | 32 | Very low | 32.8 | Very low | 189 Ų | 189 | 152.9 Ų | 152.9 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | | | trans | -105.5 | 99.4 | 156.7 | -89 | -84.3 | 0 | 0 | 0 | 107.6 | T4 | T4-F6 PolarHBondContact O-N 3.09Š|
| 7 | Q | 29.1 | Very low | 32.9 | Very low | 181 Ų | 181 | 150.8 Ų | 150.8 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | | | trans | -92.3 | 100.2 | 170.2 | -164.4 | 164 | 15.3 | 0 | 0 | 105.8 | | |
| 8 | V | 33.4 | Very low | 32.7 | Very low | 120 Ų | 120 | 146 Ų | 146 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | | | trans | -98.6 | 131.3 | 172.4 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 9 | P | 33 | Very low | 32.6 | Very low | 107 Ų | 107 | 148.5 Ų | 148.5 | 70% | 0.695 | 82% | 0.821 | S | S | * | * | | | trans | -77.9 | 135.5 | -167.1 | -7.6 | 25.8 | 0 | 0 | 0 | 112.2 | S11 | P9-S11 PolarHBondContact O-N 3.28Å; P9-S11 VanDerWaalsContact O-N 3.14Å |
| 10 | E | 28.5 | Very low | 32.8 | Very low | 202 Ų | 202 | 148.6 Ų | 148.6 | 94% | 0.944 | 82% | 0.815 | S | S | * | * | | | trans | -62.1 | 101.9 | 159 | -72.6 | 173.4 | 118 | 0 | 0 | 109.5 | | |
| 11 | S | 32.5 | Very low | 32.8 | Very low | 96 Ų | 96 | 152.6 Ų | 152.6 | 67% | 0.671 | 82% | 0.818 | S | S | * | * | | | trans | -164.8 | 81.9 | 161.2 | 56.2 | 0 | 0 | 0 | 0 | 110.5 | P9 | P9-S11 PolarHBondContact O-N 3.28Å; P9-S11 VanDerWaalsContact O-N 3.14Å |
| 12 | E | 31.7 | Very low | 32.6 | Very low | 206 Ų | 206 | 150 Ų | 150 | 96% | 0.963 | 80% | 0.8 | S | S | * | * | | | trans | -158.4 | 93.3 | 143.2 | -112 | 171.9 | -177.5 | 0 | 0 | 107.7 | | |
| 13 | Q | 28.4 | Very low | 32.5 | Very low | 175 Ų | 175 | 151 Ų | 151 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -107.7 | 124.7 | -179.2 | -140.3 | 175.8 | 15.5 | 0 | 0 | 107.4 | | |
| 14 | L | 28.3 | Very low | 32.3 | Very low | 147 Ų | 147 | 153.8 Ų | 153.8 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | trans | 77.4 | 156.1 | 154.8 | -69.1 | 140.5 | 0 | 0 | 0 | 119.4 | | |
| 15 | P | 43.5 | Very low | 32 | Very low | 102 Ų | 102 | 154.5 Ų | 154.5 | 66% | 0.662 | 80% | 0.8 | S | S | * | * | | | cis | -133.9 | 168.1 | -20.9 | 30.1 | -10.1 | 0 | 0 | 0 | 115.1 | S17 | P15-S17 PolarHBondContact O-N 2.85Š|
| 16 | D | 31 | Very low | 31.9 | Very low | 171 Ų | 171 | 156 Ų | 156 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | | | trans | -39.6 | 116.8 | 158 | -77.3 | -45.8 | 0 | 0 | 0 | 113.1 | | |
| 17 | S | 34 | Very low | 31.9 | Very low | 117 Ų | 117 | 151.7 Ų | 151.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -156.2 | 123.5 | 155.1 | 68.9 | 0 | 0 | 0 | 0 | 110.7 | P15 | P15-S17 PolarHBondContact O-N 2.85Š|
| 18 | G | 30.4 | Very low | 31.9 | Very low | 65 Ų | 65 | 150 Ų | 150 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | | | trans | 113.2 | 72.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E20 | G18-E20 PolarHBondContact O-N 2.82Š|
| 19 | E | 30.7 | Very low | 31.8 | Very low | 194 Ų | 194 | 152.9 Ų | 152.9 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | | | trans | -55 | 89 | 140.3 | -72.6 | 179.7 | 137 | 0 | 0 | 107 | R21 | E19-R21 PolarHBondContact O-N 3.48Š|
| 20 | E | 36.2 | Very low | 32 | Very low | 149 Ų | 149 | 152.8 Ų | 152.8 | 70% | 0.696 | 80% | 0.795 | S | S | * | * | | | trans | -63.4 | 95.7 | 167.5 | -73.8 | -164.3 | 148.5 | 0 | 0 | 106.7 | G18 F22 | G18-E20 PolarHBondContact O-N 2.82Å; E20-F22 VanDerWaalsContact C-N 3.27Å; E20-F22 WeakPolarHBondContact O-CD2 3.37Å; E20-F22 PolarHBondContact O-N 2.8Å |
| 21 | R | 33.2 | Very low | 32.4 | Very low | 233 Ų | 233 | 149 Ų | 149 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | | | trans | -49.5 | 98.9 | 159 | -69.5 | 179.6 | 177.5 | -146.7 | -1.9 | 106.8 | E19 S23 | E19-R21 PolarHBondContact O-N 3.48Å; R21-S23 PolarHBondContact O-N 3.41Å |
| 22 | F | 34.4 | Very low | 32.4 | Very low | 188 Ų | 188 | 155.7 Ų | 155.7 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | trans | -62 | 94.7 | 167.5 | -78.8 | -81.3 | 0 | 0 | 0 | 107.5 | E20 H24 | E20-F22 VanDerWaalsContact C-N 3.27Å; E20-F22 WeakPolarHBondContact O-CD2 3.37Å; E20-F22 PolarHBondContact O-N 2.8Å; F22-H24 PolarHBondContact O-N 2.76Å |
| 23 | S | 32.4 | Very low | 32.5 | Very low | 97 Ų | 97 | 154 Ų | 154 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | -59.5 | 126.2 | 173.7 | 49 | 0 | 0 | 0 | 0 | 109 | R21 V25 | R21-S23 PolarHBondContact O-N 3.41Å; S23-V25 PolarHBondContact O-N 3.46Å |
| 24 | H | 28.4 | Very low | 32.7 | Very low | 181 Ų | 181 | 156.4 Ų | 156.4 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | | | trans | -28.4 | 97.1 | 166.4 | -63.6 | -77.3 | 0 | 0 | 0 | 113.8 | F22 R26 | F22-H24 PolarHBondContact O-N 2.76Å; H24-R26 VanDerWaalsContact C-N 3.29Å; H24-R26 PolarHBondContact O-N 3.25Å |
| 25 | V | 31.6 | Very low | 33 | Very low | 131 Ų | 131 | 154.6 Ų | 154.6 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | trans | -78.8 | 89.6 | 162 | -179.4 | 0 | 0 | 0 | 0 | 106.8 | S23 S27 | S23-V25 PolarHBondContact O-N 3.46Å; V25-S27 VanDerWaalsContact C-N 3.27Å; V25-S27 PolarHBondContact O-N 3.31Å |
| 26 | R | 26.6 | Very low | 32.6 | Very low | 224 Ų | 224 | 157.4 Ų | 157.4 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | -68.5 | 83.9 | 162.6 | -76.4 | 177.4 | 164.2 | 162.1 | -4.5 | 108.5 | H24 N28 | H24-R26 VanDerWaalsContact C-N 3.29Å; H24-R26 PolarHBondContact O-N 3.25Å; R26-N28 PolarHBondContact O-N 3.39Å |
| 27 | S | 32.4 | Very low | 32.6 | Very low | 100 Ų | 100 | 152.9 Ų | 152.9 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | | | trans | -89.6 | 95 | 160.2 | 57.9 | 0 | 0 | 0 | 0 | 108.2 | V25 E29 | V25-S27 VanDerWaalsContact C-N 3.27Å; V25-S27 PolarHBondContact O-N 3.31Å; S27-E29 PolarHBondContact O-N 3.04Å; S27-E29 VanDerWaalsContact O-N 3.17Å |
| 28 | N | 30.1 | Very low | 32.5 | Very low | 145 Ų | 145 | 153 Ų | 153 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | | | trans | -58.1 | 108.6 | 166 | -75.3 | -44.3 | 0 | 0 | 0 | 109.3 | R26 | R26-N28 PolarHBondContact O-N 3.39Š|
| 29 | E | 31 | Very low | 32.6 | Very low | 181 Ų | 181 | 157.6 Ų | 157.6 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | | | trans | -135.9 | 65.8 | 160.4 | -148.1 | 174.2 | -167.5 | 0 | 0 | 111.6 | S27 D31 | S27-E29 PolarHBondContact O-N 3.04Å; S27-E29 VanDerWaalsContact O-N 3.17Å; E29-D31 PolarHBondContact O-N 2.92Å |
| 30 | P | 37.3 | Very low | 32.7 | Very low | 104 Ų | 104 | 153 Ų | 153 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | | | trans | -92.6 | 70.3 | 173.1 | 37.2 | -31.1 | 0 | 0 | 0 | 110.5 | | |
| 31 | D | 37.4 | Very low | 32.5 | Very low | 124 Ų | 124 | 151.7 Ų | 151.7 | 66% | 0.663 | 79% | 0.787 | S | S | * | * | | | trans | -146.8 | 19.1 | 176.5 | -100.5 | -24.8 | 0 | 0 | 0 | 116.9 | E29 | E29-D31 PolarHBondContact O-N 2.92Š|
| 32 | R | 31.6 | Very low | 32.4 | Very low | 236 Ų | 236 | 149.2 Ų | 149.2 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -117.8 | 2.5 | 175.7 | -79.7 | -170.2 | 169.8 | -172.9 | -0.4 | 117.9 | | |
| 33 | L | 34.5 | Very low | 32.5 | Very low | 170 Ų | 170 | 146.2 Ų | 146.2 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -111.9 | 5.7 | 175.6 | -65.9 | 176.7 | 0 | 0 | 0 | 114.8 | S35 | L33-S35 VanDerWaalsContact C-N 3.27Å; L33-S35 PolarHBondContact O-N 3Å; L33-S35 VanDerWaalsContact O-N 3.08Å |
| 34 | R | 32.3 | Very low | 32.7 | Very low | 225 Ų | 225 | 148.9 Ų | 148.9 | 85% | 0.849 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 66.1 | 168.7 | -74.9 | -177.6 | 173.9 | 170.3 | -2.2 | 111.4 | | |
| 35 | S | 34.7 | Very low | 33 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.7 | 6.6 | 162.5 | -166.3 | 0 | 0 | 0 | 0 | 114.5 | L33 | L33-S35 VanDerWaalsContact C-N 3.27Å; L33-S35 PolarHBondContact O-N 3Å; L33-S35 VanDerWaalsContact O-N 3.08Å |
| 36 | L | 34.4 | Very low | 32.9 | Very low | 161 Ų | 161 | 142.2 Ų | 142.2 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -99.7 | 89.5 | 166.4 | -64.9 | 177.3 | 0 | 0 | 0 | 107.5 | V38 | L36-V38 VanDerWaalsContact C-N 3.28Å; L36-V38 PolarHBondContact O-N 2.83Å |
| 37 | G | 30.3 | Very low | 33 | Very low | 77 Ų | 77 | 138.2 Ų | 138.2 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | | | trans | -61.7 | 88.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L39 | G37-L39 PolarHBondContact O-N 3.03Š|
| 38 | V | 33.7 | Very low | 33.2 | Very low | 119 Ų | 119 | 140 Ų | 140 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | | | trans | -91 | 91.5 | 157.7 | -174.6 | 0 | 0 | 0 | 0 | 105.3 | L36 S40 | L36-V38 VanDerWaalsContact C-N 3.28Å; L36-V38 PolarHBondContact O-N 2.83Å; V38-S40 PolarHBondContact O-N 3.21Å |
| 39 | L | 31.8 | Very low | 33.3 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | | | trans | -63.1 | 91.8 | 164 | -72.7 | 167.4 | 0 | 0 | 0 | 106.5 | G37 V41 | G37-L39 PolarHBondContact O-N 3.03Å; L39-V41 PolarHBondContact O-N 3.46Å; L39-V41 VanDerWaalsContact O-N 3.08Å |
| 40 | S | 33.4 | Very low | 33.5 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | | | trans | -70.3 | 101.3 | 167.5 | -56.5 | 0 | 0 | 0 | 0 | 105.5 | V38 E42 | V38-S40 PolarHBondContact O-N 3.21Å; S40-E42 VanDerWaalsContact C-N 3.33Å; S40-E42 PolarHBondContact O-N 2.71Å; S40-E42 VanDerWaalsContact O-N 3.08Å |
| 41 | V | 30.8 | Very low | 33 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | | | trans | -73.5 | 98.1 | 168.9 | -179.9 | 0 | 0 | 0 | 0 | 105.3 | L39 V43 | L39-V41 PolarHBondContact O-N 3.46Å; L39-V41 VanDerWaalsContact O-N 3.08Å; V41-V43 PolarHBondContact O-N 3.17Å |
| 42 | E | 31.7 | Very low | 32.6 | Very low | 181 Ų | 181 | 138.4 Ų | 138.4 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | trans | -62 | 105.3 | 165.7 | -72.8 | 169.2 | 154.7 | 0 | 0 | 106.9 | S40 D44 | S40-E42 VanDerWaalsContact C-N 3.33Å; S40-E42 PolarHBondContact O-N 2.71Å; S40-E42 VanDerWaalsContact O-N 3.08Å; E42-D44 VanDerWaalsContact C-N 3.3Å; E42-D44 PolarHBondContact O-N 2.59Å |
| 43 | V | 36.6 | Very low | 32.7 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | | | trans | -75 | 95.9 | 168.2 | -178.7 | 0 | 0 | 0 | 0 | 105.6 | V41 S45 | V41-V43 PolarHBondContact O-N 3.17Å; V43-S45 PolarHBondContact O-N 2.67Å |
| 44 | D | 35.3 | Very low | 32.2 | Very low | 152 Ų | 152 | 129.2 Ų | 129.2 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | | | trans | -65.2 | 88 | 168.7 | -160.9 | 6.8 | 0 | 0 | 0 | 107.7 | E42 G46 | E42-D44 VanDerWaalsContact C-N 3.3Å; E42-D44 PolarHBondContact O-N 2.59Å; D44-G46 PolarHBondContact O-N 3Å |
| 45 | S | 34.7 | Very low | 32 | Very low | 109 Ų | 109 | 125 Ų | 125 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | -75.2 | 77.6 | 165.9 | 64.5 | 0 | 0 | 0 | 0 | 107.2 | V43 N47 | V43-S45 PolarHBondContact O-N 2.67Å; S45-N47 PolarHBondContact O-N 3.26Å |
| 46 | G | 30.9 | Very low | 31.7 | Very low | 63 Ų | 63 | 124.4 Ų | 124.4 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | | | trans | -49.8 | 111.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | D44 | D44-G46 PolarHBondContact O-N 3Š|
| 47 | N | 28.6 | Very low | 31.6 | Very low | 140 Ų | 140 | 122.8 Ų | 122.8 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | trans | -30.4 | 130.8 | 156.7 | -168.8 | 29.5 | 0 | 0 | 0 | 112.6 | S45 | S45-N47 PolarHBondContact O-N 3.26Š|
| 48 | D | 36.2 | Very low | 31.5 | Very low | 137 Ų | 137 | 123.6 Ų | 123.6 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | | | trans | -168 | 112.7 | 134.3 | -94.5 | -24.4 | 0 | 0 | 0 | 112.6 | | |
| 49 | T | 32 | Very low | 31.2 | Very low | 98 Ų | 98 | 122.6 Ų | 122.6 | 60% | 0.601 | 77% | 0.768 | S | S | * | * | | | trans | 53.7 | 99.8 | 139.9 | 60.6 | 0 | 0 | 0 | 0 | 118.5 | | |
| 50 | H | 35.1 | Very low | 31.2 | Very low | 192 Ų | 192 | 122.9 Ų | 122.9 | 89% | 0.889 | 77% | 0.769 | S | S | * | * | | | | -153.2 | 84.7 | 115.5 | -85.3 | -60.8 | 0 | 0 | 0 | 108.2 | N52 | H50-N52 PolarHBondContact O-N 2.96Š|
| 51 | G | 26.5 | Very low | 30.9 | Very low | 75 Ų | 75 | 121.1 Ų | 121.1 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | | | trans | -65 | 111.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 52 | N | 30.4 | Very low | 30.9 | Very low | 157 Ų | 157 | 122 Ų | 122 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 128.7 | 152.2 | -95.6 | -22 | 0 | 0 | 0 | 107.7 | H50 | H50-N52 PolarHBondContact O-N 2.96Š|
| 53 | P | 32.4 | Very low | 30.7 | Very low | 114 Ų | 114 | 122.8 Ų | 122.8 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 146.5 | -167.2 | 26.8 | -34.1 | 0 | 0 | 0 | 112.5 | C55 | P53-C55 PolarHBondContact O-N 3.09Š|
| 54 | S | 25 | Very low | 30.5 | Very low | 98 Ų | 98 | 120 Ų | 120 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 123.5 | 167.7 | 56 | 0 | 0 | 0 | 0 | 112.2 | | |
| 55 | C | 27.8 | Very low | 30.2 | Very low | 137 Ų | 137 | 122.4 Ų | 122.4 | 93% | 0.926 | 78% | 0.778 | S | S | * | * | | | trans | -95.3 | 93.3 | 149.4 | -74.9 | 0 | 0 | 0 | 0 | 107.3 | P53 | P53-C55 PolarHBondContact O-N 3.09Š|
| 56 | S | 28.1 | Very low | 30.1 | Very low | 97 Ų | 97 | 124.8 Ų | 124.8 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | trans | -70.9 | 157.5 | 170.5 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 57 | P | 32.7 | Very low | 30 | Very low | 127 Ų | 127 | 130 Ų | 130 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | -89.3 | 129.3 | -152.7 | 33.8 | -31.3 | 0 | 0 | 0 | 112.1 | | |
| 58 | A | 27.6 | Very low | 30.2 | Very low | 93 Ų | 93 | 131 Ų | 131 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -86.6 | 110.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | L60 | A58-L60 PolarHBondContact O-N 3.37Š|
| 59 | A | 27.2 | Very low | 29.8 | Very low | 99 Ų | 99 | 130.2 Ų | 130.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -50.8 | 105.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 60 | L | 32.2 | Very low | 29.7 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | | | trans | -95.1 | 106.7 | 162 | -75.2 | 171.3 | 0 | 0 | 0 | 106.7 | A58 | A58-L60 PolarHBondContact O-N 3.37Š|
| 61 | G | 26.4 | Very low | 29.5 | Very low | 58 Ų | 58 | 130 Ų | 130 | 60% | 0.598 | 80% | 0.8 | S | S | * | * | | | trans | -60.1 | 152.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E63 | G61-E63 PolarHBondContact O-N 2.86Å; G61-E63 VanDerWaalsContact O-N 3.09Å |
| 62 | P | 30.7 | Very low | 29.6 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 92% | 0.922 | 80% | 0.795 | S | S | * | * | | | trans | -76.3 | 94 | 178.5 | 31.2 | -32.7 | 0 | 0 | 0 | 110 | | |
| 63 | E | 29.5 | Very low | 29.5 | Very low | 196 Ų | 196 | 129.8 Ų | 129.8 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | | | trans | -105.1 | 138.7 | 165.2 | -83.1 | -172.7 | 135.6 | 0 | 0 | 110.1 | G61 | G61-E63 PolarHBondContact O-N 2.86Å; G61-E63 VanDerWaalsContact O-N 3.09Å |
| 64 | G | 30.4 | Very low | 29.3 | Very low | 67 Ų | 67 | 130.3 Ų | 130.3 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | | | trans | 119.2 | 64.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N66 | G64-N66 PolarHBondContact O-N 3.2Å; G64-N66 VanDerWaalsContact O-N 3.1Å |
| 65 | K | 30 | Very low | 29.4 | Very low | 204 Ų | 204 | 136.5 Ų | 136.5 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | | | trans | -64.2 | 98.7 | 150.9 | -70 | 178.4 | 176 | -178.6 | 0 | 107.8 | | |
| 66 | N | 32.9 | Very low | 29.5 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | trans | -112.5 | 102 | 158.1 | -78.2 | -22.1 | 0 | 0 | 0 | 107.3 | G64 | G64-N66 PolarHBondContact O-N 3.2Å; G64-N66 VanDerWaalsContact O-N 3.1Å |
| 67 | E | 29.4 | Very low | 29.5 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | | | trans | -59.5 | 129.1 | 153.3 | -53.6 | -175.6 | 165.6 | 0 | 0 | 107.1 | | |
| 68 | D | 32.5 | Very low | 29.7 | Very low | 161 Ų | 161 | 138.3 Ų | 138.3 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | | | | -171.3 | 131.4 | 129.8 | -100 | -26.7 | 0 | 0 | 0 | 112 | | |
| 69 | V | 26.8 | Very low | 29.8 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | trans | -74.2 | 122.5 | -179.1 | 169.5 | 0 | 0 | 0 | 0 | 109.2 | L71 | V69-L71 HydrophobicContact CG1-CD1 3.9Š|
| 70 | V | 31.3 | Very low | 29.8 | Very low | 142 Ų | 142 | 143.6 Ų | 143.6 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | | | trans | -125.8 | 101.4 | 155.4 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 71 | L | 29 | Very low | 29.7 | Very low | 144 Ų | 144 | 143 Ų | 143 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | | | trans | -56.8 | 141.4 | 166.5 | -94.8 | 120.5 | 0 | 0 | 0 | 111.9 | V69 | V69-L71 HydrophobicContact CG1-CD1 3.9Š|
| 72 | A | 28.4 | Very low | 29.9 | Very low | 79 Ų | 79 | 146.1 Ų | 146.1 | 65% | 0.653 | 80% | 0.804 | S | S | * | * | | | trans | 61.3 | 106.3 | 142.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 73 | N | 28.9 | Very low | 29.7 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | -150.8 | 77 | 140.1 | -139.3 | -9.8 | 0 | 0 | 0 | 113.4 | R75 | N73-R75 VanDerWaalsContact C-N 3.29Å; N73-R75 PolarHBondContact O-N 3.25Å |
| 74 | P | 27.6 | Very low | 29.6 | Very low | 124 Ų | 124 | 147.4 Ų | 147.4 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | | | trans | -89.4 | 65.1 | 167.9 | 36.1 | -30.1 | 0 | 0 | 0 | 109.6 | | |
| 75 | R | 27.1 | Very low | 29.4 | Very low | 229 Ų | 229 | 147.6 Ų | 147.6 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | -148.8 | 75.6 | 170 | -83.1 | -165.5 | 175.4 | 164.1 | -1.2 | 111.3 | N73 | N73-R75 VanDerWaalsContact C-N 3.29Å; N73-R75 PolarHBondContact O-N 3.25Å |
| 76 | S | 31.1 | Very low | 29.2 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | -153.5 | 74.1 | 154.2 | 59.7 | 0 | 0 | 0 | 0 | 109.2 | P78 | S76-P78 WeakPolarHBondContact O-CD 3.2Š|
| 77 | L | 28.7 | Very low | 28.7 | Very low | 170 Ų | 170 | 138 Ų | 138 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | | | trans | -60.2 | 121.3 | 152.4 | -91.2 | 154.9 | 0 | 0 | 0 | 107.1 | | |
| 78 | P | 36.3 | Very low | 28.7 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | trans | -72.2 | 135 | 165.8 | 28.5 | -26.9 | 0 | 0 | 0 | 108.9 | S76 | S76-P78 WeakPolarHBondContact O-CD 3.2Š|
| 79 | Q | 29.8 | Very low | 28.6 | Very low | 181 Ų | 181 | 131.5 Ų | 131.5 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | trans | -44.6 | 136.5 | -176.5 | -68.9 | 159.2 | -9.2 | 0 | 0 | 114.6 | L81 | Q79-L81 PolarHBondContact O-N 3.44Š|
| 80 | T | 26.8 | Very low | 28.6 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | trans | -44.8 | 110.4 | 156.1 | 42.4 | 0 | 0 | 0 | 0 | 110.9 | D82 | T80-D82 VanDerWaalsContact C-N 3.33Å; T80-D82 PolarHBondContact O-N 3.05Å |
| 81 | L | 30.8 | Very low | 28.4 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | -82.5 | 87.3 | 161.4 | -93.6 | 160.3 | 0 | 0 | 0 | 107.8 | Q79 Y83 | Q79-L81 PolarHBondContact O-N 3.44Å; L81-Y83 HydrophobicContact CD2-CD2 4.41Å; L81-Y83 PolarHBondContact O-N 3.17Å |
| 82 | D | 29.1 | Very low | 28.4 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 66% | 0.658 | 78% | 0.778 | S | S | * | * | | | trans | -70 | 96.5 | 164.2 | -75.4 | -47.8 | 0 | 0 | 0 | 109 | T80 | T80-D82 VanDerWaalsContact C-N 3.33Å; T80-D82 PolarHBondContact O-N 3.05Å |
| 83 | Y | 27.2 | Very low | 28.3 | Very low | 209 Ų | 209 | 133 Ų | 133 | 82% | 0.82 | 78% | 0.784 | S | S | * | * | | | trans | -106.2 | 82.7 | 156.6 | -101.7 | -88.9 | 0 | 0 | 0 | 108.9 | L81 G85 | L81-Y83 HydrophobicContact CD2-CD2 4.41Å; L81-Y83 PolarHBondContact O-N 3.17Å; Y83-G85 PolarHBondContact O-N 3.47Å |
| 84 | N | 28.1 | Very low | 28.1 | Very low | 156 Ų | 156 | 132.4 Ų | 132.4 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | trans | -68.8 | 112.8 | 156.2 | -83.6 | -46.7 | 0 | 0 | 0 | 108.1 | | |
| 85 | G | 25.4 | Very low | 28 | Very low | 70 Ų | 70 | 133.1 Ų | 133.1 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | | | trans | -164.1 | 82.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y83 | Y83-G85 PolarHBondContact O-N 3.47Š|
| 86 | G | 25 | Very low | 28.1 | Very low | 72 Ų | 72 | 127.8 Ų | 127.8 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | | | trans | 73.6 | 104.4 | 142.7 | 0 | 0 | 0 | 0 | 0 | 117 | S88 | G86-S88 PolarHBondContact O-N 3.35Å; G86-S88 VanDerWaalsContact O-N 3.08Å |
| 87 | G | 24 | Very low | 27.9 | Very low | 90 Ų | 90 | 130.9 Ų | 130.9 | 93% | 0.928 | 78% | 0.777 | S | S | * | * | | | trans | -54.4 | 114 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 88 | S | 29.1 | Very low | 27.8 | Very low | 83 Ų | 83 | 129.8 Ų | 129.8 | 58% | 0.58 | 77% | 0.773 | S | S | * | * | | | trans | -113.9 | 93.8 | 162.2 | -165.6 | 0 | 0 | 0 | 0 | 106.7 | G86 F90 | G86-S88 PolarHBondContact O-N 3.35Å; G86-S88 VanDerWaalsContact O-N 3.08Å; S88-F90 PolarHBondContact O-N 2.63Å; S88-F90 WeakPolarHBondContact OG-CD2 3.37Å; S88-F90 WeakPolarHBondContact OG-CE2 3.2Å |
| 89 | S | 29.2 | Very low | 27.5 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | -59.7 | 86.5 | 158.9 | 50.5 | 0 | 0 | 0 | 0 | 108.1 | S91 | S89-S91 PolarHBondContact O-N 3.23Š|
| 90 | F | 28.6 | Very low | 27.6 | Very low | 183 Ų | 183 | 125.9 Ų | 125.9 | 80% | 0.803 | 76% | 0.761 | S | S | * | * | | | trans | -82.3 | 98.9 | 164.4 | -99.7 | -82.2 | 0 | 0 | 0 | 107.5 | S88 | S88-F90 PolarHBondContact O-N 2.63Å; S88-F90 WeakPolarHBondContact OG-CD2 3.37Å; S88-F90 WeakPolarHBondContact OG-CE2 3.2Å |
| 91 | S | 26 | Very low | 27.5 | Very low | 97 Ų | 97 | 123.1 Ų | 123.1 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | trans | -53.7 | 139.7 | 165.1 | -59.5 | 0 | 0 | 0 | 0 | 109.8 | S89 S93 | S89-S91 PolarHBondContact O-N 3.23Å; S91-S93 PolarHBondContact O-N 3.4Å; S91-S93 VanDerWaalsContact O-N 3.07Å |
| 92 | P | 29 | Very low | 27.3 | Very low | 125 Ų | 125 | 121.5 Ų | 121.5 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | | | trans | -66.1 | 109.6 | -178 | 26.2 | -32.5 | 0 | 0 | 0 | 109.9 | T94 | P92-T94 PolarHBondContact O-N 3.35Š|
| 93 | S | 25.8 | Very low | 27.2 | Very low | 112 Ų | 112 | 121.6 Ų | 121.6 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | | | trans | -72.6 | 105.8 | 168.8 | 53.8 | 0 | 0 | 0 | 0 | 108.8 | S91 D95 | S91-S93 PolarHBondContact O-N 3.4Å; S91-S93 VanDerWaalsContact O-N 3.07Å; S93-D95 PolarHBondContact O-N 2.8Å |
| 94 | T | 25 | Very low | 27.3 | Very low | 136 Ų | 136 | 120.4 Ų | 120.4 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | | | trans | -64.7 | 98.9 | 156.9 | 44 | 0 | 0 | 0 | 0 | 108.4 | P92 | P92-T94 PolarHBondContact O-N 3.35Š|
| 95 | D | 27 | Very low | 27.2 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | trans | -143.1 | 103.1 | 163.4 | -115.3 | -22.7 | 0 | 0 | 0 | 110.9 | S93 | S93-D95 PolarHBondContact O-N 2.8Š|
| 96 | V | 28.5 | Very low | 27.4 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 71% | 0.709 | 76% | 0.759 | S | S | * | * | | | | 45.5 | 109.6 | 126.9 | -176.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 97 | H | 26.3 | Very low | 27.4 | Very low | 173 Ų | 173 | 127.2 Ų | 127.2 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | | | trans | 40.6 | 97.2 | 142.3 | -71.7 | -67.3 | 0 | 0 | 0 | 118 | P99 | H97-P99 VanDerWaalsContact O-CD 3.31Å; H97-P99 WeakPolarHBondContact O-CD 3.17Å |
| 98 | D | 27.4 | Very low | 27.6 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | trans | -105.5 | 94.5 | 150.4 | -137.9 | -9 | 0 | 0 | 0 | 109.2 | V100 | D98-V100 PolarHBondContact O-N 2.81Š|
| 99 | P | 30 | Very low | 27.5 | Very low | 111 Ų | 111 | 127 Ų | 127 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | | | trans | -80.6 | 67.8 | 172.6 | 34.8 | -33.6 | 0 | 0 | 0 | 109.4 | H97 G101 | H97-P99 VanDerWaalsContact O-CD 3.31Å; H97-P99 WeakPolarHBondContact O-CD 3.17Å; P99-G101 PolarHBondContact O-N 3.37Å |
| 100 | V | 30.7 | Very low | 27.6 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 66% | 0.655 | 75% | 0.749 | S | S | * | * | | | trans | -85.1 | 77.8 | 165.7 | -173.8 | 0 | 0 | 0 | 0 | 107.8 | D98 N102 | D98-V100 PolarHBondContact O-N 2.81Å; V100-N102 PolarHBondContact O-N 2.91Å |
| 101 | G | 24.9 | Very low | 27.5 | Very low | 63 Ų | 63 | 128.1 Ų | 128.1 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | | | trans | -64.4 | 98.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | P99 | P99-G101 PolarHBondContact O-N 3.37Š|
| 102 | N | 27.5 | Very low | 27.5 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 65% | 0.652 | 75% | 0.752 | S | S | * | * | | | trans | -123.2 | 75.4 | 154.9 | -93.8 | -1.5 | 0 | 0 | 0 | 108.1 | V100 F104 | V100-N102 PolarHBondContact O-N 2.91Å; N102-F104 HydrophobicContact CB-CD2 4.35Å; N102-F104 HydrophobicContact CB-CE2 4.46Å; N102-F104 PolarHBondContact O-N 2.9Å |
| 103 | C | 26.5 | Very low | 27.5 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 85% | 0.851 | 75% | 0.745 | S | S | * | * | | | trans | -62.8 | 87.4 | 157.6 | -64.9 | 0 | 0 | 0 | 0 | 108 | R105 | C103-R105 PolarHBondContact O-N 3.07Š|
| 104 | F | 29.9 | Very low | 27.5 | Very low | 183 Ų | 183 | 128.3 Ų | 128.3 | 80% | 0.803 | 74% | 0.744 | S | S | * | * | | | trans | -68.9 | 87 | 157.3 | -88.8 | -84.5 | 0 | 0 | 0 | 107.3 | N102 P106 | N102-F104 HydrophobicContact CB-CD2 4.35Å; N102-F104 HydrophobicContact CB-CE2 4.46Å; N102-F104 PolarHBondContact O-N 2.9Å; F104-P106 WeakPolarHBondContact O-CD 3.19Å |
| 105 | R | 25.1 | Very low | 27.4 | Very low | 223 Ų | 223 | 127.3 Ų | 127.3 | 84% | 0.842 | 74% | 0.738 | S | S | * | * | | | trans | -72.7 | 114.7 | 167 | -167.5 | 178.9 | -169.5 | 169.1 | 2.4 | 106.4 | C103 S107 | C103-R105 PolarHBondContact O-N 3.07Å; R105-S107 PolarHBondContact O-N 3.05Å |
| 106 | P | 30.1 | Very low | 27.4 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | | | trans | -61.5 | 115.6 | 162.8 | -11.5 | 27.3 | 0 | 0 | 0 | 105.8 | F104 A108 | F104-P106 WeakPolarHBondContact O-CD 3.19Å; P106-A108 PolarHBondContact O-N 3.44Å; P106-A108 VanDerWaalsContact O-N 3.16Å |
| 107 | S | 25.5 | Very low | 27.1 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | | | trans | -53.6 | 120.2 | 175.3 | -169.8 | 0 | 0 | 0 | 0 | 108.2 | R105 A109 | R105-S107 PolarHBondContact O-N 3.05Å; S107-A109 PolarHBondContact O-N 2.84Å |
| 108 | A | 27.1 | Very low | 27.2 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | | | trans | -69.3 | 69.9 | 162 | 0 | 0 | 0 | 0 | 0 | 107.6 | P106 | P106-A108 PolarHBondContact O-N 3.44Å; P106-A108 VanDerWaalsContact O-N 3.16Å |
| 109 | A | 27.6 | Very low | 27.1 | Very low | 66 Ų | 66 | 125.5 Ų | 125.5 | 55% | 0.545 | 75% | 0.745 | S | S | . | * | | | trans | -95.3 | 125.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | S107 | S107-A109 PolarHBondContact O-N 2.84Š|
| 110 | D | 31.9 | Very low | 26.9 | Very low | 138 Ų | 138 | 126.2 Ų | 126.2 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | trans | 75.4 | 60.7 | 159.2 | -53 | -23.9 | 0 | 0 | 0 | 116.6 | I112 | D110-I112 HydrophobicContact CB-CG1 4.39Å; D110-I112 PolarHBondContact O-N 2.89Å |
| 111 | M | 24.9 | Very low | 26.6 | Very low | 183 Ų | 183 | 124 Ų | 124 | 90% | 0.901 | 75% | 0.752 | S | S | * | * | | | trans | -57.3 | 86.7 | 135.1 | -72.8 | -175.5 | -135.2 | 0 | 0 | 109 | P113 | M111-P113 VanDerWaalsContact O-CD 3.27Å; M111-P113 WeakPolarHBondContact O-CD 3.16Å |
| 112 | I | 27.7 | Very low | 26.7 | Very low | 127 Ų | 127 | 129 Ų | 129 | 65% | 0.651 | 76% | 0.763 | S | S | * | * | | | trans | -99.3 | 96.6 | 153.5 | -57.9 | 176.4 | 0 | 0 | 0 | 105.2 | D110 S114 | D110-I112 HydrophobicContact CB-CG1 4.39Å; D110-I112 PolarHBondContact O-N 2.89Å; I112-S114 VanDerWaalsContact C-N 3.31Å; I112-S114 PolarHBondContact O-N 2.86Å |
| 113 | P | 27.2 | Very low | 26.7 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 66% | 0.662 | 78% | 0.777 | S | S | * | * | | | trans | -66.3 | 100.7 | 166.3 | 26.8 | -28.4 | 0 | 0 | 0 | 106.1 | M111 T115 | M111-P113 VanDerWaalsContact O-CD 3.27Å; M111-P113 WeakPolarHBondContact O-CD 3.16Å; P113-T115 PolarHBondContact O-N 2.77Å |
| 114 | S | 27.1 | Very low | 26.7 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | | | trans | -60.6 | 97.2 | 167.7 | -65 | 0 | 0 | 0 | 0 | 107.6 | I112 A116 | I112-S114 VanDerWaalsContact C-N 3.31Å; I112-S114 PolarHBondContact O-N 2.86Å; S114-A116 VanDerWaalsContact C-N 3.26Å; S114-A116 PolarHBondContact O-N 2.89Å |
| 115 | T | 23.2 | Very low | 26.8 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | | | trans | -58.4 | 86.7 | 167.7 | 34.3 | 0 | 0 | 0 | 0 | 108.7 | P113 Y117 | P113-T115 PolarHBondContact O-N 2.77Å; T115-Y117 VanDerWaalsContact C-N 3.3Å; T115-Y117 PolarHBondContact O-N 3.23Å |
| 116 | A | 26.5 | Very low | 27.1 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | | | trans | -68 | 100.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | S114 | S114-A116 VanDerWaalsContact C-N 3.26Å; S114-A116 PolarHBondContact O-N 2.89Å |
| 117 | Y | 21.7 | Very low | 27 | Very low | 206 Ų | 206 | 121.5 Ų | 121.5 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | | | trans | -43 | 129.5 | 171.3 | -84.6 | -102.1 | 0 | 0 | 0 | 110.6 | T115 S119 | T115-Y117 VanDerWaalsContact C-N 3.3Å; T115-Y117 PolarHBondContact O-N 3.23Å; Y117-S119 PolarHBondContact O-N 2.75Å |
| 118 | P | 28.8 | Very low | 27.2 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | trans | -67.9 | 105 | 165.4 | 26.8 | -29.5 | 0 | 0 | 0 | 107.5 | S120 | P118-S120 PolarHBondContact O-N 3.09Å; P118-S120 VanDerWaalsContact O-N 3.11Å |
| 119 | S | 25.6 | Very low | 27.5 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | -60.2 | 118.8 | 165 | 70 | 0 | 0 | 0 | 0 | 107.1 | Y117 G121 | Y117-S119 PolarHBondContact O-N 2.75Å; S119-G121 PolarHBondContact O-N 3.19Å |
| 120 | S | 25.5 | Very low | 27.8 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 88% | 0.881 | 79% | 0.792 | S | S | * | * | | | trans | -55.1 | 80.5 | 170.1 | 50 | 0 | 0 | 0 | 0 | 110.8 | P118 | P118-S120 PolarHBondContact O-N 3.09Å; P118-S120 VanDerWaalsContact O-N 3.11Å |
| 121 | G | 25.3 | Very low | 27.7 | Very low | 62 Ų | 62 | 143.6 Ų | 143.6 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | | | trans | -91.2 | 130.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | S119 | S119-G121 PolarHBondContact O-N 3.19Š|
| 122 | L | 26.5 | Very low | 28.2 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | | | trans | -41.8 | 147.3 | -167.9 | -87 | 83.6 | 0 | 0 | 0 | 116.1 | G124 | L122-G124 PolarHBondContact O-N 2.97Š|
| 123 | V | 27.6 | Very low | 28.4 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 95% | 0.945 | 78% | 0.784 | S | S | * | * | | | trans | -44.4 | 77.7 | 162.3 | -175.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 124 | G | 26.8 | Very low | 28.9 | Very low | 62 Ų | 62 | 141.1 Ų | 141.1 | 64% | 0.639 | 79% | 0.787 | S | S | * | * | | | trans | -94.4 | 118.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | L122 | L122-G124 PolarHBondContact O-N 2.97Š|
| 125 | T | 31.3 | Very low | 29.2 | Very low | 138 Ų | 138 | 145 Ų | 145 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | | | trans | -15.8 | 128.4 | 171.8 | 44.7 | 0 | 0 | 0 | 0 | 115.1 | G127 | T125-G127 PolarHBondContact O-N 3.46Š|
| 126 | Q | 31.7 | Very low | 30 | Very low | 200 Ų | 200 | 147.7 Ų | 147.7 | 94% | 0.935 | 79% | 0.791 | S | S | * | * | | | trans | -58.6 | 74.6 | 172 | -70.4 | 179.5 | -21.3 | 0 | 0 | 110.9 | R128 | Q126-R128 VanDerWaalsContact C-N 3.28Å; Q126-R128 PolarHBondContact O-N 2.85Å |
| 127 | G | 27.4 | Very low | 30.5 | Very low | 59 Ų | 59 | 149.6 Ų | 149.6 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | | | trans | -65.5 | 98.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 105.5 | T125 R129 | T125-G127 PolarHBondContact O-N 3.46Å; G127-R129 PolarHBondContact O-N 3.08Å |
| 128 | R | 30.6 | Very low | 31.2 | Very low | 239 Ų | 239 | 143.4 Ų | 143.4 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | | | trans | -47.9 | 93.4 | 172.6 | -157.6 | -179.7 | -165.4 | -155.7 | 3.7 | 106.9 | Q126 R130 | Q126-R128 VanDerWaalsContact C-N 3.28Å; Q126-R128 PolarHBondContact O-N 2.85Å; R128-R130 VanDerWaalsContact C-N 3.28Å; R128-R130 PolarHBondContact O-N 3.08Å |
| 129 | R | 32.4 | Very low | 31.7 | Very low | 230 Ų | 230 | 139.8 Ų | 139.8 | 87% | 0.868 | 75% | 0.75 | S | S | * | * | | | trans | -59.7 | 102.6 | 173.2 | -73.4 | -173.7 | -178 | -173.6 | 0.3 | 104 | G127 M131 | G127-R129 PolarHBondContact O-N 3.08Å; R129-M131 PolarHBondContact O-N 3.08Å |
| 130 | R | 34 | Very low | 32.5 | Very low | 233 Ų | 233 | 139.8 Ų | 139.8 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | | | trans | -59.8 | 101.5 | 162 | -70.8 | -176.9 | 173.3 | -145.7 | -0.2 | 102.6 | R128 S132 | R128-R130 VanDerWaalsContact C-N 3.28Å; R128-R130 PolarHBondContact O-N 3.08Å; R130-S132 PolarHBondContact O-N 2.86Å |
| 131 | M | 30.1 | Very low | 33.5 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 83% | 0.833 | 73% | 0.732 | S | S | * | * | | | trans | -55.9 | 100.8 | 160.2 | -62.2 | -79.5 | -79.4 | 0 | 0 | 102.4 | R129 M133 | R129-M131 PolarHBondContact O-N 3.08Å; M131-M133 PolarHBondContact O-N 3.23Å |
| 132 | S | 34.7 | Very low | 34.6 | Very low | 89 Ų | 89 | 139.8 Ų | 139.8 | 62% | 0.622 | 72% | 0.723 | S | S | * | * | | | trans | -57.6 | 102.8 | 156.3 | 43.8 | 0 | 0 | 0 | 0 | 102.5 | R130 D134 | R130-S132 PolarHBondContact O-N 2.86Å; S132-D134 PolarHBondContact O-N 3.05Å |
| 133 | M | 31.8 | Very low | 35 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 68% | 0.675 | 71% | 0.709 | S | S | * | * | | | trans | -60.5 | 100 | 159.9 | -93.5 | -175.5 | 163.7 | 0 | 0 | 103 | M131 Y135 | M131-M133 PolarHBondContact O-N 3.23Å; M133-Y135 HydrophobicContact CB-CD2 4.2Å; M133-Y135 HydrophobicContact CB-CE2 3.91Å; M133-Y135 WeakPolarHBondContact O-CD2 3.25Å; M133-Y135 PolarHBondContact O-N 2.78Å |
| 134 | D | 38.6 | Very low | 35.7 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | | | trans | -62.2 | 91.9 | 162.4 | -63.1 | -31.5 | 0 | 0 | 0 | 103.8 | S132 Q136 | S132-D134 PolarHBondContact O-N 3.05Å; D134-Q136 PolarHBondContact O-N 2.69Å |
| 135 | Y | 34 | Very low | 36.6 | Very low | 190 Ų | 190 | 141.1 Ų | 141.1 | 75% | 0.745 | 69% | 0.693 | S | S | * | * | | | trans | -63.3 | 93 | 168 | -70.6 | -86 | 0 | 0 | 0 | 104.6 | M133 V137 | M133-Y135 HydrophobicContact CB-CD2 4.2Å; M133-Y135 HydrophobicContact CB-CE2 3.91Å; M133-Y135 WeakPolarHBondContact O-CD2 3.25Å; M133-Y135 PolarHBondContact O-N 2.78Å; Y135-V137 VanDerWaalsContact C-N 3.28Å; Y135-V137 PolarHBondContact O-N 2.96Å |
| 136 | Q | 39.1 | Very low | 37.3 | Very low | 172 Ų | 172 | 138 Ų | 138 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | | | trans | -59.4 | 102.9 | 164.6 | -77.4 | -178.5 | -11.8 | 0 | 0 | 105.2 | D134 L138 | D134-Q136 PolarHBondContact O-N 2.69Å; Q136-L138 VanDerWaalsContact C-N 3.28Å; Q136-L138 PolarHBondContact O-N 3.11Å |
| 137 | V | 36.9 | Very low | 37.8 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 83% | 0.83 | 65% | 0.646 | S | S | * | * | | | trans | -63.5 | 99.6 | 170.4 | 178.5 | 0 | 0 | 0 | 0 | 104.9 | Y135 S139 | Y135-V137 VanDerWaalsContact C-N 3.28Å; Y135-V137 PolarHBondContact O-N 2.96Å; V137-S139 PolarHBondContact O-N 2.82Å |
| 138 | L | 36 | Very low | 38.4 | Very low | 77 Ų | 77 | 131 Ų | 131 | 40% | 0.403 | 64% | 0.637 | S | S | . | * | | | trans | -56.2 | 130.2 | 176.1 | -70.8 | 165.8 | 0 | 0 | 0 | 107.4 | Q136 E142 Y143 | Q136-L138 VanDerWaalsContact C-N 3.28Å; Q136-L138 PolarHBondContact O-N 3.11Å; L138-E142 HydrophobicContact CB-CB 4.19Å; L138-E142 HydrophobicContact CD2-CB 3.88Å; L138-Y143 HydrophobicContact CD1-CD2 4.35Å |
| 139 | S | 40.2 | Very low | 38.8 | Very low | 48 Ų | 48 | 129.1 Ų | 129.1 | 34% | 0.336 | 63% | 0.63 | S | S | . | * | | | trans | -58.4 | 151.4 | 170.4 | 63.2 | 0 | 0 | 0 | 0 | 109.1 | V137 V141 E142 Y143 | V137-S139 PolarHBondContact O-N 2.82Å; S139-V141 PolarHBondContact O-N 2.84Å; S139-E142 PolarHBondContact N-OE2 3.17Å; S139-E142 PolarHBondContact O-N 3.49Å; S139-E142 WeakPolarHBondContact OG-CG 3.36Å; S139-E142 PolarHBondContact OG-N 3.41Å; S139-E142 PolarHBondContact OG-OE2 3.39Å; S139-Y143 PolarHBondContact O-N 2.83Å |
| 140 | P | 42.3 | Very low | 39.1 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 72% | 0.721 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -51.7 | -31.8 | 179.4 | -27.4 | 33.9 | 0 | 0 | 0 | 113.2 | Q144 | P140-Q144 WeakPolarHBondContact O-CB 3.27Å; P140-Q144 PolarHBondContact O-N 2.87Å |
| 141 | V | 45.8 | Very low | 39.2 | Very low | 92 Ų | 92 | 119.5 Ų | 119.5 | 56% | 0.558 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.8 | -42.2 | 177.7 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | S139 Q144 Q145 | S139-V141 PolarHBondContact O-N 2.84Å; V141-Q144 PolarHBondContact O-N 3.23Å; V141-Q145 PolarHBondContact O-N 3.17Å |
| 142 | E | 49.2 | Very low | 39.5 | Very low | 95 Ų | 95 | 117.4 Ų | 117.4 | 44% | 0.444 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.1 | -39.3 | 175.8 | -72.1 | 164.9 | 143.6 | 0 | 0 | 111.3 | L138 S139 Q144 Q145 V146 | L138-E142 HydrophobicContact CB-CB 4.19Å; L138-E142 HydrophobicContact CD2-CB 3.88Å; S139-E142 PolarHBondContact N-OE2 3.17Å; S139-E142 PolarHBondContact O-N 3.49Å; S139-E142 WeakPolarHBondContact OG-CG 3.36Å; S139-E142 PolarHBondContact OG-N 3.41Å; S139-E142 PolarHBondContact OG-OE2 3.39Å; E142-Q144 VanDerWaalsContact C-N 3.35Å; E142-Q144 PolarHBondContact O-N 3.22Å; E142-Q145 PolarHBondContact O-N 2.86Å; E142-V146 WeakPolarHBondContact O-CG2 3.12Å; E142-V146 PolarHBondContact O-N 3.34Å |
| 143 | Y | 34.8 | Very low | 39.5 | Very low | 150 Ų | 150 | 116.3 Ų | 116.3 | 59% | 0.588 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.7 | -43.1 | 175.1 | -163.5 | -95.5 | 0 | 0 | 0 | 111.3 | L138 S139 Q145 V146 V147 | L138-Y143 HydrophobicContact CD1-CD2 4.35Å; S139-Y143 PolarHBondContact O-N 2.83Å; Y143-Q145 VanDerWaalsContact C-N 3.31Å; Y143-Q145 PolarHBondContact O-N 2.76Å; Y143-V146 PolarHBondContact O-N 3.43Å; Y143-V147 HydrophobicContact CD1-CG2 3.78Å; Y143-V147 HydrophobicContact CE1-CG2 3.5Å; Y143-V147 VanDerWaalsContact CE1-CG2 3.5Å; Y143-V147 WeakPolarHBondContact O-CG2 3.27Å; Y143-V147 PolarHBondContact O-N 2.88Å |
| 144 | Q | 42.4 | Very low | 39.2 | Very low | 147 Ų | 147 | 113.6 Ų | 113.6 | 69% | 0.687 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.1 | -37.6 | 174.2 | -113.6 | 177 | -1.9 | 0 | 0 | 112.6 | P140 V141 E142 A148 | P140-Q144 WeakPolarHBondContact O-CB 3.27Å; P140-Q144 PolarHBondContact O-N 2.87Å; V141-Q144 PolarHBondContact O-N 3.23Å; E142-Q144 VanDerWaalsContact C-N 3.35Å; E142-Q144 PolarHBondContact O-N 3.22Å; Q144-A148 WeakPolarHBondContact O-CB 3.36Å; Q144-A148 PolarHBondContact O-N 2.92Å |
| 145 | Q | 45.4 | Very low | 39 | Very low | 118 Ų | 118 | 112.5 Ų | 112.5 | 55% | 0.551 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.1 | -36.2 | 175.3 | -75.8 | -174 | 11.5 | 0 | 0 | 112.9 | V141 E142 Y143 R149 | V141-Q145 PolarHBondContact O-N 3.17Å; E142-Q145 PolarHBondContact O-N 2.86Å; Y143-Q145 VanDerWaalsContact C-N 3.31Å; Y143-Q145 PolarHBondContact O-N 2.76Å; Q145-R149 WeakPolarHBondContact O-CB 3.38Å; Q145-R149 WeakPolarHBondContact O-CG 3.48Å; Q145-R149 PolarHBondContact O-N 2.85Å |
| 146 | V | 46.8 | Very low | 39 | Very low | 71 Ų | 71 | 110.9 Ų | 110.9 | 43% | 0.43 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.1 | -47.4 | 175.8 | 175.2 | 0 | 0 | 0 | 0 | 110.2 | E142 Y143 A148 R149 E150 | E142-V146 WeakPolarHBondContact O-CG2 3.12Å; E142-V146 PolarHBondContact O-N 3.34Å; Y143-V146 PolarHBondContact O-N 3.43Å; V146-A148 PolarHBondContact O-N 2.9Å; V146-R149 PolarHBondContact O-N 2.92Å; V146-E150 PolarHBondContact O-N 3.32Å |
| 147 | V | 41.8 | Very low | 38.6 | Very low | 60 Ų | 60 | 106.2 Ų | 106.2 | 36% | 0.364 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67 | -38.1 | 178.3 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | Y143 R149 E150 T151 | Y143-V147 HydrophobicContact CD1-CG2 3.78Å; Y143-V147 HydrophobicContact CE1-CG2 3.5Å; Y143-V147 VanDerWaalsContact CE1-CG2 3.5Å; Y143-V147 WeakPolarHBondContact O-CG2 3.27Å; Y143-V147 PolarHBondContact O-N 2.88Å; V147-R149 VanDerWaalsContact C-N 3.31Å; V147-R149 PolarHBondContact O-N 3.39Å; V147-E150 PolarHBondContact O-N 3.46Å; V147-T151 HydrophobicContact CG1-CG2 4.49Å; V147-T151 PolarHBondContact O-N 3.37Å; V147-T151 PolarHBondContact O-OG1 2.88Å |
| 148 | A | 38.6 | Very low | 38.3 | Very low | 52 Ų | 52 | 107.6 Ų | 107.6 | 43% | 0.43 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.2 | -32.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q144 V146 T151 V152 | Q144-A148 WeakPolarHBondContact O-CB 3.36Å; Q144-A148 PolarHBondContact O-N 2.92Å; V146-A148 PolarHBondContact O-N 2.9Å; A148-T151 WeakPolarHBondContact CA-OG1 3.32Å; A148-T151 PolarHBondContact O-OG1 3.05Å; A148-V152 VanDerWaalsContact O-CG2 3.3Å; A148-V152 WeakPolarHBondContact O-CG2 3.36Å; A148-V152 PolarHBondContact O-N 3.4Å |
| 149 | R | 40.5 | Very low | 37.8 | Very low | 201 Ų | 201 | 114.5 Ų | 114.5 | 76% | 0.758 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73.2 | -34.6 | 173.7 | -79.9 | -177.5 | 175.4 | -173.2 | 1.6 | 112.8 | Q145 V146 V147 | Q145-R149 WeakPolarHBondContact O-CB 3.38Å; Q145-R149 WeakPolarHBondContact O-CG 3.48Å; Q145-R149 PolarHBondContact O-N 2.85Å; V146-R149 PolarHBondContact O-N 2.92Å; V147-R149 VanDerWaalsContact C-N 3.31Å; V147-R149 PolarHBondContact O-N 3.39Å |
| 150 | E | 38.1 | Very low | 37.3 | Very low | 154 Ų | 154 | 117.6 Ų | 117.6 | 72% | 0.72 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74.9 | -28.2 | 176.3 | -79.6 | -168.7 | 150.7 | 0 | 0 | 113.2 | V146 V147 | V146-E150 PolarHBondContact O-N 3.32Å; V147-E150 PolarHBondContact O-N 3.46Å |
| 151 | T | 35.3 | Very low | 36.6 | Very low | 106 Ų | 106 | 123.7 Ų | 123.7 | 65% | 0.65 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -82.9 | -15.6 | -179.8 | 44.5 | 0 | 0 | 0 | 0 | 114.1 | V147 A148 G153 | V147-T151 HydrophobicContact CG1-CG2 4.49Å; V147-T151 PolarHBondContact O-N 3.37Å; V147-T151 PolarHBondContact O-OG1 2.88Å; A148-T151 WeakPolarHBondContact CA-OG1 3.32Å; A148-T151 PolarHBondContact O-OG1 3.05Å; T151-G153 PolarHBondContact O-N 3.03Å |
| 152 | V | 38.2 | Very low | 35.8 | Very low | 125 Ų | 125 | 124 Ų | 124 | 76% | 0.758 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -93.8 | 87.2 | 176.3 | -176.8 | 0 | 0 | 0 | 0 | 110.3 | A148 | A148-V152 VanDerWaalsContact O-CG2 3.3Å; A148-V152 WeakPolarHBondContact O-CG2 3.36Å; A148-V152 PolarHBondContact O-N 3.4Å |
| 153 | G | 33.4 | Very low | 34.6 | Very low | 66 Ų | 66 | 130.4 Ų | 130.4 | 68% | 0.68 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 110.5 | 20.6 | 152 | 0 | 0 | 0 | 0 | 0 | 118.4 | T151 P155 | T151-G153 PolarHBondContact O-N 3.03Å; G153-P155 WeakPolarHBondContact O-CD 3.36Å |
| 154 | A | 25.6 | Very low | 34.2 | Very low | 81 Ų | 81 | 130.4 Ų | 130.4 | 67% | 0.669 | 70% | 0.702 | S | S | * | * | | | trans | -85 | 104.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | V156 | A154-V156 PolarHBondContact O-N 3.02Å; A154-V156 VanDerWaalsContact O-N 3.1Å |
| 155 | P | 34.4 | Very low | 33.4 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | | | trans | -58 | 120.6 | 171.2 | 22.7 | -31.7 | 0 | 0 | 0 | 109.3 | G153 G157 | G153-P155 WeakPolarHBondContact O-CD 3.36Å; P155-G157 PolarHBondContact O-N 3.39Å |
| 156 | V | 34.7 | Very low | 32.4 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 95% | 0.952 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.2 | 104 | 172 | -177 | 0 | 0 | 0 | 0 | 108.4 | A154 | A154-V156 PolarHBondContact O-N 3.02Å; A154-V156 VanDerWaalsContact O-N 3.1Å |
| 157 | G | 30.7 | Very low | 31.4 | Very low | 74 Ų | 74 | 139 Ų | 139 | 76% | 0.763 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 137.2 | -4.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | P155 | P155-G157 PolarHBondContact O-N 3.39Š|
| 158 | Q | 30 | Very low | 30.7 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | | | trans | -126.9 | 84.6 | 168.3 | -68.5 | -174.4 | 13.4 | 0 | 0 | 109.6 | P160 | Q158-P160 VanDerWaalsContact O-CD 3.25Å; Q158-P160 WeakPolarHBondContact O-CD 3.19Å |
| 159 | Y | 25 | Very low | 30.1 | Very low | 222 Ų | 222 | 146.5 Ų | 146.5 | 87% | 0.871 | 77% | 0.771 | S | S | * | * | | | trans | -51.1 | 119.6 | 148.9 | -77.9 | -82.2 | 0 | 0 | 0 | 105.6 | R161 | Y159-R161 VanDerWaalsContact C-N 3.31Å; Y159-R161 PolarHBondContact O-N 3.05Å |
| 160 | P | 30.7 | Very low | 29.4 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | -57.4 | 111.1 | 170.7 | 23 | -29 | 0 | 0 | 0 | 104 | Q158 S162 | Q158-P160 VanDerWaalsContact O-CD 3.25Å; Q158-P160 WeakPolarHBondContact O-CD 3.19Å; P160-S162 PolarHBondContact O-N 3.39Å |
| 161 | R | 27.6 | Very low | 28.8 | Very low | 239 Ų | 239 | 143.6 Ų | 143.6 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | | | trans | -52.8 | 94.1 | 152.6 | -85.6 | 179.4 | 161.5 | 163.8 | -4.4 | 102.7 | Y159 R163 | Y159-R161 VanDerWaalsContact C-N 3.31Å; Y159-R161 PolarHBondContact O-N 3.05Å; R161-R163 PolarHBondContact O-N 2.7Å |
| 162 | S | 28.2 | Very low | 28.5 | Very low | 99 Ų | 99 | 145.4 Ų | 145.4 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | | | trans | -54.9 | 91.6 | 156.9 | 48.2 | 0 | 0 | 0 | 0 | 102.6 | P160 L164 | P160-S162 PolarHBondContact O-N 3.39Å; S162-L164 PolarHBondContact O-N 3.27Å |
| 163 | R | 25 | Very low | 28 | Very low | 230 Ų | 230 | 146.5 Ų | 146.5 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | | | trans | -48.6 | 95.1 | 146.7 | -80.2 | -178.8 | 169.3 | 167.8 | -2.7 | 101.6 | R161 R165 | R161-R163 PolarHBondContact O-N 2.7Å; R163-R165 PolarHBondContact O-N 3.18Å |
| 164 | L | 26.6 | Very low | 27.5 | Very low | 150 Ų | 150 | 149.5 Ų | 149.5 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | trans | -42.1 | 106.1 | 151 | -86.1 | 152.1 | 0 | 0 | 0 | 102.1 | S162 T166 | S162-L164 PolarHBondContact O-N 3.27Å; L164-T166 PolarHBondContact O-N 2.99Å; L164-T166 PolarHBondContact O-OG1 3.46Å |
| 165 | R | 24.3 | Very low | 27.7 | Very low | 220 Ų | 220 | 150.7 Ų | 150.7 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | | | trans | -59.7 | 92.2 | 164.1 | -90.4 | -176.7 | 171.9 | 167.8 | -1.9 | 101.6 | R163 F167 | R163-R165 PolarHBondContact O-N 3.18Å; R165-F167 PolarHBondContact O-N 2.72Å |
| 166 | T | 25.1 | Very low | 27.3 | Very low | 128 Ų | 128 | 154.3 Ų | 154.3 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | -55.7 | 96.6 | 160.8 | -32.6 | 0 | 0 | 0 | 0 | 101.9 | L164 | L164-T166 PolarHBondContact O-N 2.99Å; L164-T166 PolarHBondContact O-OG1 3.46Å |
| 167 | F | 24.7 | Very low | 27.1 | Very low | 167 Ų | 167 | 155.4 Ų | 155.4 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | | | trans | -49.7 | 128.7 | 159.1 | -76.1 | -87.6 | 0 | 0 | 0 | 104.3 | R165 L169 | R165-F167 PolarHBondContact O-N 2.72Å; F167-L169 PolarHBondContact O-N 2.79Å |
| 168 | P | 27.5 | Very low | 26.9 | Very low | 114 Ų | 114 | 156.4 Ų | 156.4 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | | | trans | -60.1 | 96.1 | 168 | 25 | -29.3 | 0 | 0 | 0 | 104.7 | E170 | P168-E170 PolarHBondContact O-N 2.71Š|
| 169 | L | 26.7 | Very low | 26.8 | Very low | 157 Ų | 157 | 152.9 Ų | 152.9 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -65.3 | 102.1 | 162.7 | -147.3 | 79.6 | 0 | 0 | 0 | 101.9 | F167 T171 | F167-L169 PolarHBondContact O-N 2.79Å; L169-T171 PolarHBondContact O-N 3.5Å |
| 170 | E | 25.5 | Very low | 26.9 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | | | trans | -40.5 | 114.7 | 175 | -83.1 | 172.2 | 129.9 | 0 | 0 | 107.3 | P168 H172 | P168-E170 PolarHBondContact O-N 2.71Å; E170-H172 PolarHBondContact O-N 2.81Å |
| 171 | T | 26.5 | Very low | 26.6 | Very low | 138 Ų | 138 | 153.2 Ų | 153.2 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | | | trans | -67.6 | 72.2 | 172.3 | 46.9 | 0 | 0 | 0 | 0 | 106.9 | L169 D173 | L169-T171 PolarHBondContact O-N 3.5Å; T171-D173 VanDerWaalsContact C-N 3.3Å; T171-D173 PolarHBondContact O-N 3.08Å; T171-D173 VanDerWaalsContact O-N 3.12Å |
| 172 | H | 27.5 | Very low | 26.5 | Very low | 144 Ų | 144 | 150.3 Ų | 150.3 | 67% | 0.667 | 78% | 0.782 | S | S | * | * | | | trans | -75.1 | 97 | 160.7 | -84.7 | -59.8 | 0 | 0 | 0 | 106.6 | E170 V174 | E170-H172 PolarHBondContact O-N 2.81Å; H172-V174 PolarHBondContact O-N 2.75Å; H172-V174 VanDerWaalsContact O-N 3.08Å |
| 173 | D | 28.9 | Very low | 26.3 | Very low | 149 Ų | 149 | 151.3 Ų | 151.3 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | 16.8 | 82.5 | 154.7 | -69.7 | -47.7 | 0 | 0 | 0 | 114.2 | T171 P175 | T171-D173 VanDerWaalsContact C-N 3.3Å; T171-D173 PolarHBondContact O-N 3.08Å; T171-D173 VanDerWaalsContact O-N 3.12Å; D173-P175 WeakPolarHBondContact O-CD 3.45Å |
| 174 | V | 23.1 | Very low | 26.2 | Very low | 129 Ų | 129 | 148.6 Ų | 148.6 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | | | trans | -72.9 | 111.4 | 157 | 179.4 | 0 | 0 | 0 | 0 | 105.3 | H172 Q176 | H172-V174 PolarHBondContact O-N 2.75Å; H172-V174 VanDerWaalsContact O-N 3.08Å; V174-Q176 PolarHBondContact O-N 2.76Å |
| 175 | P | 28.8 | Very low | 26.1 | Very low | 105 Ų | 105 | 150 Ų | 150 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | | | trans | -57.6 | 119.6 | 175.4 | 21.9 | -30.5 | 0 | 0 | 0 | 108.5 | D173 Q177 | D173-P175 WeakPolarHBondContact O-CD 3.45Å; P175-Q177 PolarHBondContact O-N 2.86Å |
| 176 | Q | 26.8 | Very low | 26.2 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -50.7 | 131.1 | 165 | -66.7 | 178.8 | -11.4 | 0 | 0 | 107.3 | V174 | V174-Q176 PolarHBondContact O-N 2.76Š|
| 177 | Q | 29.4 | Very low | 26.2 | Very low | 179 Ų | 179 | 143.7 Ų | 143.7 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | | | trans | 92.8 | 52 | -176.5 | -50.5 | 178.5 | -7.1 | 0 | 0 | 116.8 | P175 S179 | P175-Q177 PolarHBondContact O-N 2.86Å; Q177-S179 PolarHBondContact O-N 2.91Å |
| 178 | A | 26.7 | Very low | 26.3 | Very low | 95 Ų | 95 | 141.5 Ų | 141.5 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | -86.7 | 75.8 | 143 | 0 | 0 | 0 | 0 | 0 | 108.2 | A180 | A178-A180 PolarHBondContact O-N 2.77Š|
| 179 | S | 27.9 | Very low | 26.3 | Very low | 93 Ų | 93 | 144 Ų | 144 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | | | trans | -47.4 | 132.9 | 169.5 | -54.7 | 0 | 0 | 0 | 0 | 109.2 | Q177 W181 | Q177-S179 PolarHBondContact O-N 2.91Å; S179-W181 PolarHBondContact O-N 2.85Å; S179-W181 VanDerWaalsContact O-N 3.13Å |
| 180 | A | 26.9 | Very low | 26.3 | Very low | 92 Ų | 92 | 140.3 Ų | 140.3 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | | | trans | -39.1 | 123.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | A178 Q182 | A178-A180 PolarHBondContact O-N 2.77Å; A180-Q182 VanDerWaalsContact C-N 3.27Å; A180-Q182 PolarHBondContact O-N 2.94Å |
| 181 | W | 25.3 | Very low | 26.4 | Very low | 248 Ų | 248 | 138.8 Ų | 138.8 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | | | trans | -46.5 | 92.6 | 177.5 | -75.5 | 76.5 | 0 | 0 | 0 | 109.7 | S179 C183 | S179-W181 PolarHBondContact O-N 2.85Å; S179-W181 VanDerWaalsContact O-N 3.13Å; W181-C183 PolarHBondContact O-N 2.79Å |
| 182 | Q | 24.8 | Very low | 26.6 | Very low | 178 Ų | 178 | 140.1 Ų | 140.1 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | -66.8 | 105.4 | 161.3 | -96.6 | 177.9 | -22 | 0 | 0 | 104.5 | A180 Q184 | A180-Q182 VanDerWaalsContact C-N 3.27Å; A180-Q182 PolarHBondContact O-N 2.94Å; Q182-Q184 VanDerWaalsContact C-N 3.26Å; Q182-Q184 PolarHBondContact O-N 2.93Å |
| 183 | C | 24.2 | Very low | 26.6 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | trans | -51.6 | 100.1 | 162.7 | -67.9 | 0 | 0 | 0 | 0 | 107 | W181 Q185 | W181-C183 PolarHBondContact O-N 2.79Å; C183-Q185 PolarHBondContact O-N 2.81Å |
| 184 | Q | 23.9 | Very low | 26.6 | Very low | 173 Ų | 173 | 136.2 Ų | 136.2 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | | | trans | -58.8 | 114.1 | 170.2 | -85.3 | -163.1 | -36.7 | 0 | 0 | 106.7 | Q182 S186 | Q182-Q184 VanDerWaalsContact C-N 3.26Å; Q182-Q184 PolarHBondContact O-N 2.93Å; Q184-S186 PolarHBondContact O-N 2.71Å |
| 185 | Q | 24.5 | Very low | 26.7 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | | | trans | -63.5 | 82.4 | 164.3 | -71.8 | 177.4 | -18.3 | 0 | 0 | 107.3 | C183 T187 | C183-Q185 PolarHBondContact O-N 2.81Å; Q185-T187 PolarHBondContact O-N 2.92Å; Q185-T187 PolarHBondContact O-OG1 2.88Å |
| 186 | S | 26 | Very low | 26.7 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | | | trans | -74.4 | 85 | 167.4 | -63.8 | 0 | 0 | 0 | 0 | 107.7 | Q184 V188 | Q184-S186 PolarHBondContact O-N 2.71Å; S186-V188 PolarHBondContact O-N 2.79Å |
| 187 | T | 25.3 | Very low | 26.7 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | | | trans | -60.8 | 70.5 | 156.3 | 22.9 | 0 | 0 | 0 | 0 | 109 | Q185 L189 | Q185-T187 PolarHBondContact O-N 2.92Å; Q185-T187 PolarHBondContact O-OG1 2.88Å; T187-L189 PolarHBondContact O-N 3.11Å |
| 188 | V | 27 | Very low | 26.7 | Very low | 121 Ų | 121 | 136 Ų | 136 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | | | trans | -94.7 | 85.3 | 163.5 | -176.6 | 0 | 0 | 0 | 0 | 107 | S186 S190 | S186-V188 PolarHBondContact O-N 2.79Å; V188-S190 VanDerWaalsContact C-N 3.32Å; V188-S190 PolarHBondContact O-N 2.76Å |
| 189 | L | 26.8 | Very low | 26.9 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | | | trans | -57 | 95.1 | 157.8 | -75.4 | 148.7 | 0 | 0 | 0 | 107.9 | T187 | T187-L189 PolarHBondContact O-N 3.11Š|
| 190 | S | 25.8 | Very low | 26.9 | Very low | 80 Ų | 80 | 149 Ų | 149 | 56% | 0.559 | 80% | 0.796 | S | S | * | * | | | trans | -123 | 111.6 | 159 | -166.5 | 0 | 0 | 0 | 0 | 109.1 | V188 H192 | V188-S190 VanDerWaalsContact C-N 3.32Å; V188-S190 PolarHBondContact O-N 2.76Å; S190-H192 PolarHBondContact O-N 3.07Å; S190-H192 VanDerWaalsContact O-N 3.08Å |
| 191 | P | 28.8 | Very low | 27 | Very low | 123 Ų | 123 | 148.5 Ų | 148.5 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | trans | -81.2 | 89.3 | -177.3 | 32.3 | -29.9 | 0 | 0 | 0 | 107.8 | | |
| 192 | H | 29.7 | Very low | 27.2 | Very low | 166 Ų | 166 | 143.5 Ų | 143.5 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | trans | -116 | 98.9 | 172.4 | -84.3 | 36.3 | 0 | 0 | 0 | 110.7 | S190 | S190-H192 PolarHBondContact O-N 3.07Å; S190-H192 VanDerWaalsContact O-N 3.08Å |
| 193 | S | 28.4 | Very low | 27.5 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | 58.5 | 103.9 | 140.5 | -153 | 0 | 0 | 0 | 0 | 116.4 | R195 | S193-R195 VanDerWaalsContact C-N 3.28Å; S193-R195 PolarHBondContact O-N 3.33Å |
| 194 | A | 27.9 | Very low | 27.7 | Very low | 99 Ų | 99 | 143.7 Ų | 143.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -51.7 | 89.2 | 164 | 0 | 0 | 0 | 0 | 0 | 110.6 | T196 | A194-T196 PolarHBondContact O-N 2.83Š|
| 195 | R | 26.7 | Very low | 28.2 | Very low | 234 Ų | 234 | 141.2 Ų | 141.2 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | -82.6 | 94.9 | 165.6 | -159.1 | 173 | -171.1 | 174.5 | 2.1 | 107.2 | S193 V197 | S193-R195 VanDerWaalsContact C-N 3.28Å; S193-R195 PolarHBondContact O-N 3.33Å; R195-V197 PolarHBondContact O-N 2.81Å |
| 196 | T | 27.7 | Very low | 28.4 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | trans | -46 | 105.4 | 172.9 | -35.4 | 0 | 0 | 0 | 0 | 109.8 | A194 P198 | A194-T196 PolarHBondContact O-N 2.83Å; T196-P198 WeakPolarHBondContact O-CD 3.21Å |
| 197 | V | 26 | Very low | 28.7 | Very low | 128 Ų | 128 | 140 Ų | 140 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | -75.7 | 118.5 | 168.4 | -176.6 | 0 | 0 | 0 | 0 | 106.6 | R195 K199 | R195-V197 PolarHBondContact O-N 2.81Å; V197-K199 PolarHBondContact O-N 2.93Å |
| 198 | P | 31.3 | Very low | 28.9 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | | | trans | -63.5 | 127 | 178.5 | 23.7 | -30.1 | 0 | 0 | 0 | 109.4 | T196 R200 | T196-P198 WeakPolarHBondContact O-CD 3.21Å; P198-R200 VanDerWaalsContact C-N 3.28Å; P198-R200 PolarHBondContact O-N 3.44Å |
| 199 | K | 29.4 | Very low | 28.9 | Very low | 214 Ų | 214 | 139.3 Ų | 139.3 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | | | trans | -57.4 | 88.4 | 168 | -71.2 | 177.3 | 176.5 | 177.7 | 0 | 108.8 | V197 | V197-K199 PolarHBondContact O-N 2.93Š|
| 200 | R | 29.3 | Very low | 28.8 | Very low | 246 Ų | 246 | 137.6 Ų | 137.6 | 93% | 0.928 | 79% | 0.79 | S | S | * | * | | | trans | -85 | 122.5 | 165.2 | -110.4 | -175.7 | -176.2 | -168 | 1.9 | 108.6 | P198 | P198-R200 VanDerWaalsContact C-N 3.28Å; P198-R200 PolarHBondContact O-N 3.44Å |
| 201 | A | 28.9 | Very low | 28.9 | Very low | 83 Ų | 83 | 137.6 Ų | 137.6 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | | | trans | -48.9 | 138 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K203 | A201-K203 PolarHBondContact O-N 3.02Š|
| 202 | T | 29.4 | Very low | 28.9 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | | | trans | -24.9 | 91.3 | 150.3 | 48.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 203 | K | 30.4 | Very low | 28.8 | Very low | 196 Ų | 196 | 135.7 Ų | 135.7 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | | | trans | -115.3 | 96.9 | 143.7 | -79 | -174.9 | 176.5 | -176.1 | 0 | 104.4 | A201 P205 | A201-K203 PolarHBondContact O-N 3.02Å; K203-P205 WeakPolarHBondContact O-CD 3.09Å |
| 204 | S | 27.8 | Very low | 28.7 | Very low | 106 Ų | 106 | 134 Ų | 134 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 122.6 | 164.9 | 45.4 | 0 | 0 | 0 | 0 | 107.2 | T206 | S204-T206 PolarHBondContact O-N 2.9Å; S204-T206 VanDerWaalsContact O-N 3.1Å |
| 205 | P | 35.6 | Very low | 28.6 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 120.5 | 170.5 | 23.4 | -29.6 | 0 | 0 | 0 | 106.9 | K203 | K203-P205 WeakPolarHBondContact O-CD 3.09Š|
| 206 | T | 27.8 | Very low | 28.8 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 127.2 | 168.2 | -0.9 | 0 | 0 | 0 | 0 | 107.6 | S204 A208 | S204-T206 PolarHBondContact O-N 2.9Å; S204-T206 VanDerWaalsContact O-N 3.1Å; T206-A208 PolarHBondContact O-N 3.18Å; T206-A208 VanDerWaalsContact O-N 3.12Å |
| 207 | P | 31.7 | Very low | 28.8 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 122.5 | 176.5 | -19.6 | 30.3 | 0 | 0 | 0 | 108.1 | T209 | P207-T209 PolarHBondContact O-N 2.92Å; P207-T209 VanDerWaalsContact O-N 3.09Å |
| 208 | A | 30.2 | Very low | 28.9 | Very low | 87 Ų | 87 | 133.2 Ų | 133.2 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 119.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | T206 V210 | T206-A208 PolarHBondContact O-N 3.18Å; T206-A208 VanDerWaalsContact O-N 3.12Å; A208-V210 VanDerWaalsContact C-N 3.3Å; A208-V210 PolarHBondContact O-N 2.96Å |
| 209 | T | 26.7 | Very low | 28.7 | Very low | 143 Ų | 143 | 131.1 Ų | 131.1 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | | | trans | -58 | 94 | 169.6 | 28.2 | 0 | 0 | 0 | 0 | 108 | P207 S211 | P207-T209 PolarHBondContact O-N 2.92Å; P207-T209 VanDerWaalsContact O-N 3.09Å; T209-S211 PolarHBondContact O-N 2.7Å |
| 210 | V | 25.9 | Very low | 28.5 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | | | trans | -74.1 | 107.1 | 169 | -177.9 | 0 | 0 | 0 | 0 | 106.1 | A208 A212 | A208-V210 VanDerWaalsContact C-N 3.3Å; A208-V210 PolarHBondContact O-N 2.96Å; V210-A212 PolarHBondContact O-N 2.93Å |
| 211 | S | 28 | Very low | 28.4 | Very low | 80 Ų | 80 | 123.6 Ų | 123.6 | 56% | 0.559 | 76% | 0.764 | S | S | * | * | | | trans | -42 | 121.5 | 172.3 | 169 | 0 | 0 | 0 | 0 | 110.9 | T209 N213 | T209-S211 PolarHBondContact O-N 2.7Å; S211-N213 PolarHBondContact O-N 3.15Å |
| 212 | A | 28.1 | Very low | 28.3 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -74 | 19.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V210 | V210-A212 PolarHBondContact O-N 2.93Š|
| 213 | N | 28.2 | Very low | 28.2 | Very low | 151 Ų | 151 | 128.2 Ų | 128.2 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | | | trans | -96.4 | 18.9 | -174.9 | -73.8 | -3 | 0 | 0 | 0 | 114.4 | S211 | S211-N213 PolarHBondContact O-N 3.15Š|
| 214 | S | 25 | Very low | 27.9 | Very low | 75 Ų | 75 | 124.3 Ų | 124.3 | 52% | 0.524 | 76% | 0.764 | S | S | . | * | S | Bend | trans | -123.5 | 119.9 | 168 | 60.5 | 0 | 0 | 0 | 0 | 109.7 | L216 | S214-L216 VanDerWaalsContact C-N 3.33Å; S214-L216 PolarHBondContact O-N 3.2Å |
| 215 | P | 27.3 | Very low | 27.9 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | | | trans | -62.9 | 99.2 | 170.8 | 26.4 | -31.4 | 0 | 0 | 0 | 107.5 | L217 | P215-L217 PolarHBondContact O-N 3.26Š|
| 216 | L | 29.5 | Very low | 27.3 | Very low | 148 Ų | 148 | 122 Ų | 122 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | | | trans | -64.8 | 105.1 | 166.9 | -79.1 | 166.7 | 0 | 0 | 0 | 105.8 | S214 V218 | S214-L216 VanDerWaalsContact C-N 3.33Å; S214-L216 PolarHBondContact O-N 3.2Å; L216-V218 VanDerWaalsContact C-N 3.27Å; L216-V218 PolarHBondContact O-N 3.47Å |
| 217 | L | 28.8 | Very low | 27.3 | Very low | 173 Ų | 173 | 123.8 Ų | 123.8 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | | | trans | -47.1 | 98.5 | 159.9 | -90.3 | 151.3 | 0 | 0 | 0 | 107.4 | P215 G219 | P215-L217 PolarHBondContact O-N 3.26Å; L217-G219 PolarHBondContact O-N 3.08Å |
| 218 | V | 27.6 | Very low | 27 | Very low | 124 Ų | 124 | 121.1 Ų | 121.1 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | | | trans | -69.8 | 83.9 | 167.3 | 179.1 | 0 | 0 | 0 | 0 | 105.5 | L216 L220 | L216-V218 VanDerWaalsContact C-N 3.27Å; L216-V218 PolarHBondContact O-N 3.47Å; V218-L220 VanDerWaalsContact C-N 3.33Å; V218-L220 HydrophobicContact CG1-CG 4.48Å; V218-L220 PolarHBondContact O-N 3.36Å |
| 219 | G | 26.2 | Very low | 26.7 | Very low | 61 Ų | 61 | 122 Ų | 122 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | | | trans | -62.8 | 100.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107 | L217 L221 | L217-G219 PolarHBondContact O-N 3.08Å; G219-L221 PolarHBondContact O-N 2.84Å |
| 220 | L | 26.9 | Very low | 26.7 | Very low | 152 Ų | 152 | 118.8 Ų | 118.8 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | | | trans | -64.8 | 78 | 163.6 | -80 | 160.9 | 0 | 0 | 0 | 107.8 | V218 L222 | V218-L220 VanDerWaalsContact C-N 3.33Å; V218-L220 HydrophobicContact CG1-CG 4.48Å; V218-L220 PolarHBondContact O-N 3.36Å; L220-L222 PolarHBondContact O-N 2.91Å |
| 221 | L | 26.5 | Very low | 26.7 | Very low | 150 Ų | 150 | 123.5 Ų | 123.5 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | -66.8 | 89.6 | 158.8 | -102 | 147.5 | 0 | 0 | 0 | 106 | G219 Q223 | G219-L221 PolarHBondContact O-N 2.84Å; L221-Q223 PolarHBondContact O-N 3.16Å |
| 222 | L | 27.7 | Very low | 26.6 | Very low | 161 Ų | 161 | 124.3 Ų | 124.3 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | trans | -60.1 | 81.9 | 158.6 | -79.8 | 153.9 | 0 | 0 | 0 | 107.1 | L220 S224 | L220-L222 PolarHBondContact O-N 2.91Å; L222-S224 PolarHBondContact O-N 3.08Å |
| 223 | Q | 26.4 | Very low | 26.5 | Very low | 162 Ų | 162 | 126.8 Ų | 126.8 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | | | trans | -64.9 | 94.9 | 161.7 | -80 | -177.2 | -14.3 | 0 | 0 | 106 | L221 S225 | L221-Q223 PolarHBondContact O-N 3.16Å; Q223-S225 PolarHBondContact O-N 2.96Å |
| 224 | S | 25.1 | Very low | 26.5 | Very low | 114 Ų | 114 | 125 Ų | 125 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | | | trans | -55.5 | 93.7 | 159.5 | 54.1 | 0 | 0 | 0 | 0 | 106.9 | L222 G226 | L222-S224 PolarHBondContact O-N 3.08Å; S224-G226 VanDerWaalsContact C-N 3.3Å; S224-G226 PolarHBondContact O-N 2.99Å |
| 225 | S | 26 | Very low | 26.7 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -56 | 100.5 | 166.8 | -67.2 | 0 | 0 | 0 | 0 | 106.7 | Q223 I227 | Q223-S225 PolarHBondContact O-N 2.96Å; S225-I227 VanDerWaalsContact C-N 3.26Å; S225-I227 PolarHBondContact O-N 2.71Å |
| 226 | G | 24.8 | Very low | 26.8 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | -58.4 | 97.3 | 164 | 0 | 0 | 0 | 0 | 0 | 107.1 | S224 G228 | S224-G226 VanDerWaalsContact C-N 3.3Å; S224-G226 PolarHBondContact O-N 2.99Å; G226-G228 PolarHBondContact O-N 2.9Å |
| 227 | I | 26.9 | Very low | 26.7 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -63.4 | 105.8 | 168.6 | -73.9 | 167.2 | 0 | 0 | 0 | 105.3 | S225 | S225-I227 VanDerWaalsContact C-N 3.26Å; S225-I227 PolarHBondContact O-N 2.71Å |
| 228 | G | 25.5 | Very low | 26.8 | Very low | 62 Ų | 62 | 127.1 Ų | 127.1 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | | | trans | -52.9 | 144.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G226 G230 | G226-G228 PolarHBondContact O-N 2.9Å; G228-G230 VanDerWaalsContact C-N 3.33Å; G228-G230 PolarHBondContact O-N 2.95Å |
| 229 | A | 24.7 | Very low | 26.7 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 88% | 0.884 | 77% | 0.767 | S | S | * | * | | | trans | -50.1 | 88.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R231 | A229-R231 PolarHBondContact O-N 3.42Š|
| 230 | G | 26.2 | Very low | 26.9 | Very low | 74 Ų | 74 | 129.6 Ų | 129.6 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | | | trans | -84.7 | 98 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109 | G228 | G228-G230 VanDerWaalsContact C-N 3.33Å; G228-G230 PolarHBondContact O-N 2.95Å |
| 231 | R | 26.1 | Very low | 26.8 | Very low | 231 Ų | 231 | 128.8 Ų | 128.8 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | | | trans | -49.8 | 140.7 | 172.8 | -73.3 | 169.1 | 152.2 | -177.6 | -7.7 | 112.3 | A229 | A229-R231 PolarHBondContact O-N 3.42Š|
| 232 | S | 26.1 | Very low | 27.1 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | | | trans | 56.8 | 102.5 | 147.3 | 61.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 233 | N | 24.8 | Very low | 27 | Very low | 149 Ų | 149 | 125.5 Ų | 125.5 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | -143.5 | 89.8 | 132.1 | -107.7 | -15.2 | 0 | 0 | 0 | 108.9 | L235 | N233-L235 VanDerWaalsContact C-N 3.34Å; N233-L235 PolarHBondContact O-N 2.93Å; N233-L235 VanDerWaalsContact O-N 3.09Å |
| 234 | P | 27.9 | Very low | 27.2 | Very low | 114 Ų | 114 | 122.5 Ų | 122.5 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | | | trans | -76.5 | 88.3 | 168.6 | 31.9 | -29.1 | 0 | 0 | 0 | 108.3 | L236 | P234-L236 PolarHBondContact O-N 3.01Š|
| 235 | L | 29.9 | Very low | 27.4 | Very low | 148 Ų | 148 | 121 Ų | 121 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | | | trans | -81.9 | 101.5 | 166.3 | -76.5 | 173.6 | 0 | 0 | 0 | 108.6 | N233 | N233-L235 VanDerWaalsContact C-N 3.34Å; N233-L235 PolarHBondContact O-N 2.93Å; N233-L235 VanDerWaalsContact O-N 3.09Å |
| 236 | L | 29 | Very low | 27.4 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | | | trans | 16.2 | 106.4 | 157.3 | -77.8 | 84.1 | 0 | 0 | 0 | 116.7 | P234 D238 | P234-L236 PolarHBondContact O-N 3.01Å; L236-D238 PolarHBondContact O-N 3.3Å |
| 237 | V | 26.9 | Very low | 27.5 | Very low | 148 Ų | 148 | 131 Ų | 131 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | | | trans | -80 | 88.5 | 150.6 | 177.8 | 0 | 0 | 0 | 0 | 106.5 | | |
| 238 | D | 31.6 | Very low | 27.7 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | trans | -96.9 | 115.4 | 163.2 | -100.7 | -24.7 | 0 | 0 | 0 | 108.5 | L236 | L236-D238 PolarHBondContact O-N 3.3Š|
| 239 | G | 25 | Very low | 27.7 | Very low | 64 Ų | 64 | 132 Ų | 132 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | | | trans | -68.2 | 133.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 240 | L | 30.4 | Very low | 27.9 | Very low | 173 Ų | 173 | 132.1 Ų | 132.1 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | | | trans | -133.7 | 83.1 | 152.4 | -70.2 | 175.5 | 0 | 0 | 0 | 107 | P242 | L240-P242 WeakPolarHBondContact O-CD 3.07Š|
| 241 | N | 24.9 | Very low | 28 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | | | trans | -96.9 | 100.8 | 163.1 | -173.1 | -7 | 0 | 0 | 0 | 107.3 | T243 | N241-T243 VanDerWaalsContact C-N 3.26Å; N241-T243 PolarHBondContact O-N 2.9Å; N241-T243 PolarHBondContact OD1-OG1 2.88Å |
| 242 | P | 32.3 | Very low | 27.8 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | trans | -83.2 | 74 | 177.7 | 34.7 | -31.6 | 0 | 0 | 0 | 108.9 | L240 | L240-P242 WeakPolarHBondContact O-CD 3.07Š|
| 243 | T | 27.4 | Very low | 27.9 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | | | trans | -119.2 | 70.9 | 171.1 | -46.3 | 0 | 0 | 0 | 0 | 109.5 | N241 | N241-T243 VanDerWaalsContact C-N 3.26Å; N241-T243 PolarHBondContact O-N 2.9Å; N241-T243 PolarHBondContact OD1-OG1 2.88Å |
| 244 | A | 29.6 | Very low | 27.9 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -155.2 | 53.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 245 | G | 29.1 | Very low | 27.9 | Very low | 81 Ų | 81 | 132.6 Ų | 132.6 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | | | trans | -103.6 | 97.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 246 | R | 27.2 | Very low | 27.8 | Very low | 245 Ų | 245 | 131.5 Ų | 131.5 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | | | trans | -62.4 | 144.9 | -178.4 | -76.2 | 178.7 | 174.4 | -171.9 | -1.8 | 112.4 | A248 | R246-A248 PolarHBondContact O-N 2.8Š|
| 247 | I | 25.6 | Very low | 28 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | | | trans | -43 | 119.4 | 166.2 | -60.2 | 156.6 | 0 | 0 | 0 | 111 | N249 | I247-N249 WeakPolarHBondContact CG2-OD1 3.49Š|
| 248 | A | 31.3 | Very low | 28 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | trans | -106.9 | 103.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | R246 S250 | R246-A248 PolarHBondContact O-N 2.8Å; A248-S250 PolarHBondContact O-N 2.81Å |
| 249 | N | 26.2 | Very low | 27.8 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | trans | -76.1 | 112.2 | 164.9 | -70.4 | -32.1 | 0 | 0 | 0 | 107.8 | I247 | I247-N249 WeakPolarHBondContact CG2-OD1 3.49Š|
| 250 | S | 29.3 | Very low | 28.1 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | trans | -156.4 | 125 | 151.7 | 62.2 | 0 | 0 | 0 | 0 | 111.7 | A248 | A248-S250 PolarHBondContact O-N 2.81Š|
| 251 | S | 26.8 | Very low | 28.1 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | | | trans | -38.5 | 141.3 | 169.4 | 49.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 252 | V | 22.8 | Very low | 28.4 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | | | | 57.2 | 112.1 | 128.1 | -173.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 253 | L | 28.5 | Very low | 28.4 | Very low | 162 Ų | 162 | 138.3 Ų | 138.3 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | | | | -165.4 | 124 | 120.2 | -106.2 | 150.2 | 0 | 0 | 0 | 109.3 | | |
| 254 | A | 24.7 | Very low | 28.6 | Very low | 95 Ų | 95 | 141.2 Ų | 141.2 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | trans | -75.6 | 121.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 255 | E | 28.3 | Very low | 28.6 | Very low | 185 Ų | 185 | 142 Ų | 142 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | -147.1 | 130.6 | 153.5 | -134 | 168.6 | -176 | 0 | 0 | 110.7 | | |
| 256 | T | 27.5 | Very low | 28.7 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | | | trans | -61.1 | 125.3 | -177.7 | -37 | 0 | 0 | 0 | 0 | 110.4 | | |
| 257 | D | 32.3 | Very low | 28.8 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | | | trans | -141.6 | 94.1 | 152.1 | -130.4 | -13.7 | 0 | 0 | 0 | 110.5 | G259 | D257-G259 PolarHBondContact O-N 2.86Š|
| 258 | R | 27.4 | Very low | 29.1 | Very low | 244 Ų | 244 | 135.9 Ų | 135.9 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | | | trans | -77.6 | 97.6 | 163 | -84.5 | -175.7 | 169.5 | -172.8 | -2.1 | 106.3 | | |
| 259 | G | 27.4 | Very low | 29 | Very low | 59 Ų | 59 | 135.5 Ų | 135.5 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | | | trans | -139.5 | 104.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | D257 | D257-G259 PolarHBondContact O-N 2.86Š|
| 260 | D | 31.4 | Very low | 29.2 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | | | trans | 62.4 | 96.8 | 149 | -66.8 | -25.3 | 0 | 0 | 0 | 120.8 | K262 | D260-K262 PolarHBondContact O-N 2.87Š|
| 261 | V | 29.6 | Very low | 29.4 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 93% | 0.927 | 80% | 0.799 | S | S | * | * | | | trans | -68 | 101.5 | 150.6 | -171.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 262 | K | 32.5 | Very low | 29.7 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 70% | 0.704 | 81% | 0.806 | S | S | * | * | | | trans | -136.7 | 128.3 | 164.8 | -82.8 | -175.2 | 179.8 | 167 | 0 | 112.4 | D260 | D260-K262 PolarHBondContact O-N 2.87Š|
| 263 | D | 31.7 | Very low | 30.4 | Very low | 137 Ų | 137 | 144.5 Ų | 144.5 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | | | trans | 74.5 | 70.4 | 150.2 | -56.1 | -23.3 | 0 | 0 | 0 | 118.9 | T265 | D263-T265 PolarHBondContact O-N 2.89Š|
| 264 | L | 31.1 | Very low | 30.7 | Very low | 179 Ų | 179 | 146.9 Ų | 146.9 | 94% | 0.937 | 81% | 0.813 | S | S | * | * | | | trans | -74.8 | 82.8 | 147.2 | -76.9 | 163.7 | 0 | 0 | 0 | 110 | | |
| 265 | T | 30 | Very low | 31.1 | Very low | 117 Ų | 117 | 154.3 Ų | 154.3 | 72% | 0.718 | 82% | 0.82 | S | S | * | * | | | trans | -157.7 | 82 | 158.9 | 15.1 | 0 | 0 | 0 | 0 | 110.9 | D263 | D263-T265 PolarHBondContact O-N 2.89Š|
| 266 | S | 30.7 | Very low | 31.8 | Very low | 124 Ų | 124 | 150.2 Ų | 150.2 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | | | trans | -123 | 93.3 | 164.9 | -68.9 | 0 | 0 | 0 | 0 | 109 | A268 | S266-A268 PolarHBondContact O-N 2.84Š|
| 267 | V | 30 | Very low | 32.2 | Very low | 136 Ų | 136 | 156 Ų | 156 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | | | trans | -64.8 | 110.3 | 169.9 | 175.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 268 | A | 31.2 | Very low | 32.4 | Very low | 82 Ų | 82 | 155.5 Ų | 155.5 | 68% | 0.678 | 82% | 0.817 | S | S | * | * | | | trans | -116.2 | 81.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109 | S266 L270 | S266-A268 PolarHBondContact O-N 2.84Å; A268-L270 VanDerWaalsContact C-N 3.31Å; A268-L270 PolarHBondContact O-N 2.86Å |
| 269 | A | 28.8 | Very low | 32.8 | Very low | 89 Ų | 89 | 149.2 Ų | 149.2 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | | | trans | -68.5 | 86.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 270 | L | 32.2 | Very low | 33.1 | Very low | 168 Ų | 168 | 150.2 Ų | 150.2 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 116.4 | 174 | -81.6 | 165.4 | 0 | 0 | 0 | 110.4 | A268 | A268-L270 VanDerWaalsContact C-N 3.31Å; A268-L270 PolarHBondContact O-N 2.86Å |
| 271 | Q | 32.5 | Very low | 33.1 | Very low | 184 Ų | 184 | 149.9 Ų | 149.9 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 136.9 | -172.5 | -72 | 162.8 | -23.1 | 0 | 0 | 114.1 | | |
| 272 | K | 32.8 | Very low | 33.6 | Very low | 200 Ų | 200 | 154.3 Ų | 154.3 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 132.9 | 166.3 | -72.9 | 178.2 | 178.2 | 175.9 | 0 | 110.4 | K274 | K272-K274 PolarHBondContact O-N 2.89Š|
| 273 | P | 37.8 | Very low | 33.9 | Very low | 129 Ų | 129 | 156.8 Ų | 156.8 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 130.4 | 176.1 | -17.9 | 30 | 0 | 0 | 0 | 112.2 | | |
| 274 | K | 34.9 | Very low | 34 | Very low | 212 Ų | 212 | 153.7 Ų | 153.7 | 92% | 0.922 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 132.4 | 172.7 | -90.8 | 171.9 | 172.4 | 170.1 | 0 | 111.2 | K272 | K272-K274 PolarHBondContact O-N 2.89Š|
| 275 | R | 33.8 | Very low | 34.3 | Very low | 252 Ų | 252 | 150.7 Ų | 150.7 | 95% | 0.951 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 133.4 | 168.8 | -87.4 | 178.1 | 168 | 177.7 | -4.1 | 111.8 | | |
| 276 | S | 42.2 | Very low | 34.6 | Very low | 99 Ų | 99 | 154.7 Ų | 154.7 | 69% | 0.692 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -78 | 124.4 | 164.8 | 166.8 | 0 | 0 | 0 | 0 | 110.4 | N278 | S276-N278 PolarHBondContact OG-OD1 2.8Š|
| 277 | R | 35.5 | Very low | 34.8 | Very low | 245 Ų | 245 | 157.5 Ų | 157.5 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | | | trans | -81.2 | 103.8 | 165.3 | -91.1 | 177.4 | 165.9 | 163.5 | -4.2 | 107.7 | | |
| 278 | N | 37.5 | Very low | 35.1 | Very low | 152 Ų | 152 | 161.5 Ų | 161.5 | 81% | 0.813 | 83% | 0.834 | S | S | * | * | | | trans | -98.9 | 104.6 | 161.7 | -84.9 | 3.1 | 0 | 0 | 0 | 109.6 | S276 | S276-N278 PolarHBondContact OG-OD1 2.8Š|
| 279 | S | 34.9 | Very low | 35.3 | Very low | 113 Ų | 113 | 164.3 Ų | 164.3 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | | | trans | -64.3 | 117.9 | 164.7 | 49.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 280 | G | 35.2 | Very low | 35.5 | Very low | 80 Ų | 80 | 171.8 Ų | 171.8 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | | | trans | -121 | 86.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 281 | T | 31.3 | Very low | 35.6 | Very low | 134 Ų | 134 | 169.5 Ų | 169.5 | 82% | 0.822 | 84% | 0.844 | S | S | * | * | | | trans | -74.6 | 113.8 | 174.2 | 33.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 282 | R | 38.9 | Very low | 35.6 | Very low | 246 Ų | 246 | 169.3 Ų | 169.3 | 93% | 0.928 | 84% | 0.841 | S | S | * | * | | | trans | -147.6 | 87.9 | 154.8 | -86.9 | -168.9 | 175.1 | -168.6 | -1.4 | 110.1 | | |
| 283 | K | 38.8 | Very low | 35.8 | Very low | 215 Ų | 215 | 171.6 Ų | 171.6 | 94% | 0.935 | 84% | 0.844 | S | S | * | * | | | trans | -130.4 | 101.7 | 154.4 | -76.8 | -161.7 | 176.2 | -174.2 | 0 | 107.8 | | |
| 284 | G | 34.1 | Very low | 35.4 | Very low | 72 Ų | 72 | 172.2 Ų | 172.2 | 74% | 0.742 | 84% | 0.84 | S | S | * | * | | | trans | -73.8 | 147 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 285 | P | 36.6 | Very low | 35.3 | Very low | 115 Ų | 115 | 166 Ų | 166 | 75% | 0.747 | 84% | 0.835 | S | S | * | * | | | trans | -95 | 111.9 | -172.5 | 34 | -29.6 | 0 | 0 | 0 | 112 | K287 | P285-K287 PolarHBondContact O-N 2.72Š|
| 286 | E | 37.1 | Very low | 35 | Very low | 201 Ų | 201 | 159.6 Ų | 159.6 | 94% | 0.939 | 83% | 0.825 | S | S | * | * | | | trans | -87.1 | 94.2 | 161.1 | -75.1 | -167 | 158.4 | 0 | 0 | 109.5 | | |
| 287 | K | 35.7 | Very low | 34.2 | Very low | 183 Ų | 183 | 162 Ų | 162 | 80% | 0.796 | 83% | 0.829 | S | S | * | * | | | trans | -75.5 | 135.8 | 156.2 | -63.1 | -179.2 | 178.7 | 179.4 | 0 | 107 | P285 | P285-K287 PolarHBondContact O-N 2.72Š|
| 288 | R | 34.7 | Very low | 34 | Very low | 221 Ų | 221 | 157.4 Ų | 157.4 | 83% | 0.834 | 83% | 0.829 | S | S | * | * | | | | 179.4 | 127.9 | 127.3 | -96.4 | 166.6 | 99.5 | 179 | 5.2 | 114 | | |
| 289 | L | 36.9 | Very low | 33.3 | Very low | 140 Ų | 140 | 156.5 Ų | 156.5 | 73% | 0.733 | 83% | 0.829 | S | S | * | * | | | trans | 76.5 | 92.5 | 139.3 | -59.2 | 169.9 | 0 | 0 | 0 | 119.1 | | |
| 290 | R | 32.6 | Very low | 33.1 | Very low | 247 Ų | 247 | 155.6 Ų | 155.6 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | | | trans | -43 | 128.3 | 145.4 | -65.6 | 172.2 | 162.8 | 121.2 | -1.9 | 111.2 | | |
| 291 | S | 33.5 | Very low | 32.7 | Very low | 120 Ų | 120 | 157.2 Ų | 157.2 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | | | trans | -113.5 | 112.2 | 155.5 | -174.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 292 | K | 33.5 | Very low | 32.3 | Very low | 180 Ų | 180 | 158.8 Ų | 158.8 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | | | trans | -68.8 | 135 | 171.5 | -74.2 | -176.7 | 169.4 | -171.6 | 0 | 108.4 | | |
| 293 | R | 35.6 | Very low | 31.9 | Very low | 248 Ų | 248 | 153 Ų | 153 | 94% | 0.936 | 82% | 0.821 | S | S | * | * | | | trans | -128.5 | 116.3 | 153.2 | -152.1 | 176.4 | -128.6 | 159.1 | 0.7 | 107.9 | | |
| 294 | D | 30.2 | Very low | 31.2 | Very low | 142 Ų | 142 | 148.1 Ų | 148.1 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | | | trans | -63.1 | 136.2 | 177 | -60.7 | -61.4 | 0 | 0 | 0 | 110.1 | | |
| 295 | G | 31.6 | Very low | 30.8 | Very low | 80 Ų | 80 | 149.5 Ų | 149.5 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | -152.7 | 88.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 296 | T | 27.6 | Very low | 30.5 | Very low | 119 Ų | 119 | 150 Ų | 150 | 73% | 0.73 | 81% | 0.813 | S | S | * | * | | | trans | -70.1 | 135.6 | -167.4 | -44.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 297 | L | 26.6 | Very low | 30 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | | | trans | 31.4 | 122.1 | 143.8 | -55.7 | 163.4 | 0 | 0 | 0 | 119 | | |
| 298 | T | 30.1 | Very low | 29.4 | Very low | 150 Ų | 150 | 142 Ų | 142 | 92% | 0.92 | 80% | 0.802 | S | S | * | * | | | | -164.7 | 125.2 | 115.8 | 1 | 0 | 0 | 0 | 0 | 112 | | |
| 299 | T | 24 | Very low | 29.1 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -85.2 | 133 | 173.8 | -47.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 300 | A | 29.6 | Very low | 28.5 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | | | trans | -133 | 129.5 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 301 | P | 27.3 | Very low | 28.1 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 155.7 | -169 | 30.8 | -21.4 | 0 | 0 | 0 | 113.6 | | |
| 302 | L | 23.9 | Very low | 27.9 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 135.7 | 168.3 | -69.1 | 154.3 | 0 | 0 | 0 | 112 | | |
| 303 | P | 29.4 | Very low | 27.4 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 121.6 | 151.1 | 31.3 | -23.3 | 0 | 0 | 0 | 109.5 | | |
| 304 | S | 25.3 | Very low | 27 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 171.7 | 162.9 | 49.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 305 | S | 24.9 | Very low | 26.8 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | | | trans | 93.4 | 113.5 | 164.3 | -170.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 306 | V | 30 | Very low | 26.4 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | | | | -168.4 | 113.6 | 104.8 | 169.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 307 | D | 26.4 | Very low | 26.4 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | trans | 37.6 | 129.2 | 136.8 | -57.8 | -42.4 | 0 | 0 | 0 | 124.7 | | |
| 308 | G | 23.6 | Very low | 26.3 | Very low | 71 Ų | 71 | 129.8 Ų | 129.8 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | | | trans | 79.7 | 136.6 | 137.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 309 | I | 28.8 | Very low | 26.1 | Very low | 163 Ų | 163 | 130.8 Ų | 130.8 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | | | cis | -160.6 | 132.4 | 41.9 | -68.7 | 153.3 | 0 | 0 | 0 | 108.4 | | |
| 310 | S | 24.9 | Very low | 26.3 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | | | trans | 18.5 | 121.8 | 160.8 | 63.8 | 0 | 0 | 0 | 0 | 122.8 | A312 | S310-A312 PolarHBondContact O-N 2.98Š|
| 311 | L | 23.8 | Very low | 26 | Very low | 175 Ų | 175 | 139.7 Ų | 139.7 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 122.7 | 149.4 | -79.1 | 98.6 | 0 | 0 | 0 | 111.3 | | |
| 312 | A | 28.1 | Very low | 26 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 127.9 | 161 | 0 | 0 | 0 | 0 | 0 | 109.9 | S310 | S310-A312 PolarHBondContact O-N 2.98Š|
| 313 | K | 24.1 | Very low | 26.1 | Very low | 205 Ų | 205 | 140.7 Ų | 140.7 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 116.4 | -171.1 | -174.7 | -179.2 | -172.5 | 178.4 | 0 | 108.2 | | |
| 314 | V | 27.4 | Very low | 25.9 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | trans | -131.6 | 122.5 | 163.3 | -173.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 315 | A | 25.2 | Very low | 26.1 | Very low | 84 Ų | 84 | 143.5 Ų | 143.5 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | | | trans | -11.4 | 121.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 316 | N | 23.6 | Very low | 26.1 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | | | | 44.6 | 108.9 | 74.3 | -160.8 | 8.4 | 0 | 0 | 0 | 113.6 | | |
| 317 | V | 27.4 | Very low | 26.1 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 70% | 0.703 | 80% | 0.801 | S | S | * | * | | | | 174 | 140.2 | 126.1 | 154.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 318 | N | 25.7 | Very low | 26.1 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | trans | 90 | 74.9 | 171.6 | -63.9 | -26.2 | 0 | 0 | 0 | 118.7 | R320 | N318-R320 PolarHBondContact O-N 3.04Š|
| 319 | Q | 24.7 | Very low | 26.3 | Very low | 171 Ų | 171 | 150 Ų | 150 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | | | trans | -47 | 120 | 142.9 | -64.8 | 169.7 | -4.7 | 0 | 0 | 111.7 | | |
| 320 | R | 27.6 | Very low | 26.1 | Very low | 248 Ų | 248 | 148.6 Ų | 148.6 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | | | trans | -119.6 | 104.8 | 139.8 | -87.2 | -171.7 | 176.4 | -171.9 | -0.1 | 108.1 | N318 | N318-R320 PolarHBondContact O-N 3.04Š|
| 321 | Q | 25 | Very low | 26.1 | Very low | 165 Ų | 165 | 148.9 Ų | 148.9 | 77% | 0.771 | 81% | 0.807 | S | S | * | * | | | trans | -50.9 | 142.9 | 163.7 | -64.2 | 164.6 | -12.5 | 0 | 0 | 109.6 | | |
| 322 | V | 26.3 | Very low | 26.2 | Very low | 130 Ų | 130 | 145.2 Ų | 145.2 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | | | | 176.1 | 124.5 | 119.3 | 156.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 323 | K | 25.6 | Very low | 26.1 | Very low | 174 Ų | 174 | 149.1 Ų | 149.1 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | | | trans | 64 | 80.1 | 160.9 | -79.9 | -179.6 | 170.8 | -166.8 | 0 | 118.8 | | |
| 324 | T | 26.1 | Very low | 26.1 | Very low | 126 Ų | 126 | 150.2 Ų | 150.2 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | -68.7 | 108.7 | 136.1 | 44.7 | 0 | 0 | 0 | 0 | 109.6 | N326 | T324-N326 PolarHBondContact O-N 3.16Š|
| 325 | E | 28.7 | Very low | 26 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | trans | -80.4 | 106.9 | 154.8 | -77.6 | -178.5 | 177.9 | 0 | 0 | 107.5 | E327 | E325-E327 PolarHBondContact O-N 2.65Š|
| 326 | N | 25.8 | Very low | 26.1 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | | | trans | -72 | 110.1 | 168.1 | -86.1 | -34 | 0 | 0 | 0 | 108.4 | T324 | T324-N326 PolarHBondContact O-N 3.16Š|
| 327 | E | 30.1 | Very low | 26.3 | Very low | 189 Ų | 189 | 147.1 Ų | 147.1 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -121.9 | 100.3 | 146 | -75.9 | -159.7 | 159.2 | 0 | 0 | 109.6 | E325 | E325-E327 PolarHBondContact O-N 2.65Š|
| 328 | T | 25.4 | Very low | 26.2 | Very low | 127 Ų | 127 | 147 Ų | 147 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | | | trans | -34.8 | 126.6 | 151.6 | 39.2 | 0 | 0 | 0 | 0 | 114 | | |
| 329 | S | 27.2 | Very low | 26.2 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | | -176.1 | 118.8 | 114.9 | 38.2 | 0 | 0 | 0 | 0 | 111 | | |
| 330 | V | 24.9 | Very low | 26.3 | Very low | 134 Ų | 134 | 143 Ų | 143 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | trans | -73 | 120 | 167.9 | 176.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 331 | S | 26.5 | Very low | 26.2 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | -141.4 | 76.8 | 148.9 | 66 | 0 | 0 | 0 | 0 | 109.8 | Q333 | S331-Q333 VanDerWaalsContact C-N 3.32Å; S331-Q333 PolarHBondContact O-N 3.17Å |
| 332 | S | 24.7 | Very low | 26.3 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | | | trans | -61 | 96.4 | 156.3 | -47.9 | 0 | 0 | 0 | 0 | 108 | | |
| 333 | Q | 25.4 | Very low | 26.2 | Very low | 184 Ų | 184 | 137.6 Ų | 137.6 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | -119.4 | 88.7 | 162.1 | -148.3 | 167 | 32 | 0 | 0 | 107.4 | S331 G335 | S331-Q333 VanDerWaalsContact C-N 3.32Å; S331-Q333 PolarHBondContact O-N 3.17Å; Q333-G335 PolarHBondContact O-N 2.75Å |
| 334 | Y | 24.9 | Very low | 26.2 | Very low | 227 Ų | 227 | 133.6 Ų | 133.6 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | | | trans | -54.6 | 92 | 162.3 | -80.2 | -90.8 | 0 | 0 | 0 | 108.2 | | |
| 335 | G | 25.8 | Very low | 26.1 | Very low | 62 Ų | 62 | 131.4 Ų | 131.4 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | | | trans | -102.3 | 81.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q333 T337 | Q333-G335 PolarHBondContact O-N 2.75Å; G335-T337 PolarHBondContact O-N 3.28Å |
| 336 | S | 26 | Very low | 25.8 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | | | trans | -59.9 | 95.5 | 168.6 | 43.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 337 | T | 28.4 | Very low | 25.6 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | | | trans | -109.3 | 101.3 | 157 | 47.4 | 0 | 0 | 0 | 0 | 107.4 | G335 C339 | G335-T337 PolarHBondContact O-N 3.28Å; T337-C339 VanDerWaalsContact C-N 3.26Å; T337-C339 PolarHBondContact O-N 3.36Å |
| 338 | S | 26.2 | Very low | 25.2 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | | | trans | -59.6 | 91.3 | 163.7 | 59.8 | 0 | 0 | 0 | 0 | 108.4 | V340 | S338-V340 PolarHBondContact O-N 3.02Š|
| 339 | C | 25.7 | Very low | 25.2 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | | | trans | -74.4 | 110 | 151.5 | 42.8 | 0 | 0 | 0 | 0 | 105.8 | T337 S341 | T337-C339 VanDerWaalsContact C-N 3.26Å; T337-C339 PolarHBondContact O-N 3.36Å; C339-S341 PolarHBondContact O-N 3.26Å |
| 340 | V | 25.9 | Very low | 25 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | | | trans | -59.8 | 85.4 | 155.2 | 177.8 | 0 | 0 | 0 | 0 | 104.9 | S338 E342 | S338-V340 PolarHBondContact O-N 3.02Å; V340-E342 PolarHBondContact O-N 2.97Å |
| 341 | S | 26.7 | Very low | 24.9 | Very low | 94 Ų | 94 | 123.6 Ų | 123.6 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | | | trans | -74.5 | 114.6 | 169.4 | 61.7 | 0 | 0 | 0 | 0 | 105.9 | C339 N343 | C339-S341 PolarHBondContact O-N 3.26Å; S341-N343 PolarHBondContact O-N 3.18Å |
| 342 | E | 25.6 | Very low | 24.7 | Very low | 169 Ų | 169 | 129.6 Ų | 129.6 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | | | trans | -40.8 | 129.3 | 172.2 | -69.8 | 168.2 | 143.3 | 0 | 0 | 110 | V340 S344 | V340-E342 PolarHBondContact O-N 2.97Å; E342-S344 PolarHBondContact O-N 3.22Å |
| 343 | N | 25.3 | Very low | 24.8 | Very low | 167 Ų | 167 | 131 Ų | 131 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | | | trans | -62.6 | 66.1 | 169.4 | -73.3 | -26.9 | 0 | 0 | 0 | 110 | S341 A345 | S341-N343 PolarHBondContact O-N 3.18Å; N343-A345 PolarHBondContact O-N 2.86Å |
| 344 | S | 26 | Very low | 24.9 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | | | trans | -83.8 | 79 | 147.9 | 44.9 | 0 | 0 | 0 | 0 | 105.5 | E342 T346 | E342-S344 PolarHBondContact O-N 3.22Å; S344-T346 PolarHBondContact O-N 2.76Å; S344-T346 PolarHBondContact O-OG1 2.86Å |
| 345 | A | 22.5 | Very low | 25.1 | Very low | 79 Ų | 79 | 128.8 Ų | 128.8 | 65% | 0.653 | 73% | 0.729 | S | S | * | * | | | trans | -62.6 | 72.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | N343 F347 | N343-A345 PolarHBondContact O-N 2.86Å; A345-F347 HydrophobicContact CB-CD2 4.23Å; A345-F347 PolarHBondContact O-N 3.39Å |
| 346 | T | 22.6 | Very low | 25.3 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | | | trans | -73.2 | 86.9 | 163.4 | -34 | 0 | 0 | 0 | 0 | 102.6 | S344 S348 | S344-T346 PolarHBondContact O-N 2.76Å; S344-T346 PolarHBondContact O-OG1 2.86Å; T346-S348 PolarHBondContact O-N 3.48Å |
| 347 | F | 22.2 | Very low | 25.5 | Very low | 170 Ų | 170 | 132.7 Ų | 132.7 | 75% | 0.746 | 72% | 0.723 | S | S | * | * | | | trans | -65.4 | 79.5 | 166.3 | -100 | -93.5 | 0 | 0 | 0 | 106.4 | A345 F349 | A345-F347 HydrophobicContact CB-CD2 4.23Å; A345-F347 PolarHBondContact O-N 3.39Å; F347-F349 PolarHBondContact O-N 3.23Å |
| 348 | S | 22.5 | Very low | 25.5 | Very low | 95 Ų | 95 | 131 Ų | 131 | 66% | 0.664 | 71% | 0.713 | S | S | * | * | | | trans | -76.8 | 102.5 | 167.6 | -174.8 | 0 | 0 | 0 | 0 | 105.7 | T346 A350 | T346-S348 PolarHBondContact O-N 3.48Å; S348-A350 PolarHBondContact O-N 3.39Å |
| 349 | F | 24.4 | Very low | 25.6 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 72% | 0.724 | 71% | 0.707 | S | S | * | * | | | trans | -67.5 | 73.7 | 156 | -63.3 | -90.8 | 0 | 0 | 0 | 107.1 | F347 T351 | F347-F349 PolarHBondContact O-N 3.23Å; F349-T351 PolarHBondContact O-N 3.48Å |
| 350 | A | 22.1 | Very low | 25.7 | Very low | 79 Ų | 79 | 132.2 Ų | 132.2 | 65% | 0.653 | 70% | 0.702 | S | S | * | * | | | trans | -74 | 68.1 | 145.5 | 0 | 0 | 0 | 0 | 0 | 105.3 | S348 R352 | S348-A350 PolarHBondContact O-N 3.39Å; A350-R352 PolarHBondContact O-N 2.82Å |
| 351 | T | 23.7 | Very low | 25.8 | Very low | 91 Ų | 91 | 132.1 Ų | 132.1 | 56% | 0.558 | 69% | 0.693 | S | S | * | * | | | trans | -59.6 | 96 | 156 | 33.9 | 0 | 0 | 0 | 0 | 103.7 | F349 L353 | F349-T351 PolarHBondContact O-N 3.48Å; T351-L353 PolarHBondContact O-N 3.29Å |
| 352 | R | 23 | Very low | 26 | Very low | 238 Ų | 238 | 132.4 Ų | 132.4 | 90% | 0.898 | 69% | 0.691 | S | S | * | * | | | trans | -53.1 | 88.3 | 146.4 | -78.5 | 179.9 | 172.1 | -177.1 | -2.7 | 103.3 | A350 H354 | A350-R352 PolarHBondContact O-N 2.82Å; R352-H354 PolarHBondContact O-N 3.36Å |
| 353 | L | 26.8 | Very low | 26.1 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 66% | 0.66 | 68% | 0.676 | S | S | * | * | | | trans | -62.1 | 88.4 | 167.4 | -84 | 162.3 | 0 | 0 | 0 | 103.3 | T351 R355 T357 | T351-L353 PolarHBondContact O-N 3.29Å; L353-R355 PolarHBondContact O-N 2.79Å; L353-T357 VanDerWaalsContact CD2-OG1 3.23Å; L353-T357 WeakPolarHBondContact CD2-OG1 3.36Å |
| 354 | H | 27.6 | Very low | 26.2 | Very low | 154 Ų | 154 | 127.1 Ų | 127.1 | 71% | 0.713 | 66% | 0.662 | S | S | * | * | | | trans | -54.3 | 114.9 | 164.8 | -148.5 | 18.8 | 0 | 0 | 0 | 103.6 | R352 | R352-H354 PolarHBondContact O-N 3.36Š|
| 355 | R | 27.5 | Very low | 26.3 | Very low | 211 Ų | 211 | 126.4 Ų | 126.4 | 80% | 0.796 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 20.9 | 110.4 | 160 | -73.2 | 176.5 | 168.4 | 164.9 | -5.5 | 114.4 | L353 T357 | L353-R355 PolarHBondContact O-N 2.79Å; R355-T357 PolarHBondContact O-N 2.75Å |
| 356 | E | 29.9 | Very low | 26.6 | Very low | 181 Ų | 181 | 128 Ų | 128 | 85% | 0.846 | 66% | 0.659 | S | S | * | * | | | trans | 53.2 | 54.4 | 155.8 | -65.3 | 166.5 | 139.8 | 0 | 0 | 113.8 | T358 | E356-T358 PolarHBondContact O-N 3.19Š|
| 357 | T | 30 | Very low | 26.8 | Very low | 83 Ų | 83 | 127.3 Ų | 127.3 | 51% | 0.509 | 65% | 0.654 | S | S | . | * | | | trans | -74.4 | 88.4 | 157.4 | 33.6 | 0 | 0 | 0 | 0 | 106.6 | L353 R355 I359 | L353-T357 VanDerWaalsContact CD2-OG1 3.23Å; L353-T357 WeakPolarHBondContact CD2-OG1 3.36Å; R355-T357 PolarHBondContact O-N 2.75Å; T357-I359 PolarHBondContact O-N 2.92Å |
| 358 | T | 28.4 | Very low | 27.1 | Very low | 89 Ų | 89 | 126 Ų | 126 | 55% | 0.546 | 65% | 0.654 | S | S | . | * | | | trans | -48.5 | 134.4 | 175.1 | 46.1 | 0 | 0 | 0 | 0 | 110 | E356 N360 E361 | E356-T358 PolarHBondContact O-N 3.19Å; T358-N360 PolarHBondContact O-N 3.31Å; T358-E361 PolarHBondContact O-N 2.74Å |
| 359 | I | 30.1 | Very low | 27.3 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 67% | 0.667 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.3 | -19 | 180 | -71.7 | 163.6 | 0 | 0 | 0 | 114.3 | T357 E361 V362 I363 | T357-I359 PolarHBondContact O-N 2.92Å; I359-E361 VanDerWaalsContact C-N 3.34Å; I359-E361 PolarHBondContact O-N 3.04Å; I359-V362 PolarHBondContact O-N 2.87Å; I359-I363 HydrophobicContact CG2-CD1 4.08Å; I359-I363 PolarHBondContact O-N 3.49Å |
| 360 | N | 26.7 | Very low | 27.3 | Very low | 113 Ų | 113 | 124.2 Ų | 124.2 | 60% | 0.604 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -59.2 | -32.2 | 178.1 | -66.9 | -14.2 | 0 | 0 | 0 | 114.9 | T358 Q364 | T358-N360 PolarHBondContact O-N 3.31Å; N360-Q364 PolarHBondContact O-N 2.82Å |
| 361 | E | 28.6 | Very low | 27.4 | Very low | 132 Ų | 132 | 127 Ų | 127 | 62% | 0.617 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -76.4 | -31.5 | 179 | -74.8 | -169.4 | 173.3 | 0 | 0 | 113.1 | T358 I359 I363 Q364 S365 | T358-E361 PolarHBondContact O-N 2.74Å; I359-E361 VanDerWaalsContact C-N 3.34Å; I359-E361 PolarHBondContact O-N 3.04Å; E361-I363 VanDerWaalsContact C-N 3.26Å; E361-I363 PolarHBondContact O-N 3.2Å; E361-Q364 PolarHBondContact O-N 2.94Å; E361-S365 PolarHBondContact O-N 3.2Å |
| 362 | V | 30.3 | Very low | 27.6 | Very low | 101 Ų | 101 | 126 Ų | 126 | 61% | 0.612 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -65.7 | -36.3 | 176.8 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | I359 Q364 S365 | I359-V362 PolarHBondContact O-N 2.87Å; V362-Q364 VanDerWaalsContact C-N 3.34Å; V362-Q364 PolarHBondContact O-N 3.38Å; V362-S365 PolarHBondContact O-N 3.43Å; V362-S365 PolarHBondContact O-OG 3Å |
| 363 | I | 28.5 | Very low | 27.7 | Very low | 94 Ų | 94 | 124.1 Ų | 124.1 | 48% | 0.482 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -67.2 | -35.7 | 177.8 | -60.3 | 173.1 | 0 | 0 | 0 | 111 | I359 E361 S365 V366 V367 | I359-I363 HydrophobicContact CG2-CD1 4.08Å; I359-I363 PolarHBondContact O-N 3.49Å; E361-I363 VanDerWaalsContact C-N 3.26Å; E361-I363 PolarHBondContact O-N 3.2Å; I363-S365 VanDerWaalsContact C-N 3.3Å; I363-S365 PolarHBondContact O-N 2.94Å; I363-V366 PolarHBondContact O-N 2.91Å; I363-V367 HydrophobicContact CG2-CG2 4.15Å; I363-V367 WeakPolarHBondContact O-CG2 3.32Å; I363-V367 PolarHBondContact O-N 3.06Å |
| 364 | Q | 27.7 | Very low | 27.7 | Very low | 130 Ų | 130 | 122 Ų | 122 | 61% | 0.607 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -65 | -32.6 | 176.6 | -73.5 | -174.3 | -6 | 0 | 0 | 113.1 | N360 E361 V362 V366 | N360-Q364 PolarHBondContact O-N 2.82Å; E361-Q364 PolarHBondContact O-N 2.94Å; V362-Q364 VanDerWaalsContact C-N 3.34Å; V362-Q364 PolarHBondContact O-N 3.38Å; Q364-V366 VanDerWaalsContact C-N 3.33Å; Q364-V366 PolarHBondContact O-N 3.05Å |
| 365 | S | 26.9 | Very low | 27.6 | Very low | 76 Ų | 76 | 118 Ų | 118 | 53% | 0.531 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -71.3 | -26.6 | 177.8 | 73.4 | 0 | 0 | 0 | 0 | 113.8 | E361 V362 I363 | E361-S365 PolarHBondContact O-N 3.2Å; V362-S365 PolarHBondContact O-N 3.43Å; V362-S365 PolarHBondContact O-OG 3Å; I363-S365 VanDerWaalsContact C-N 3.3Å; I363-S365 PolarHBondContact O-N 2.94Å |
| 366 | V | 28.2 | Very low | 27.5 | Very low | 113 Ų | 113 | 118.1 Ų | 118.1 | 69% | 0.685 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -88.8 | -28 | -178.1 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | I363 Q364 | I363-V366 PolarHBondContact O-N 2.91Å; Q364-V366 VanDerWaalsContact C-N 3.33Å; Q364-V366 PolarHBondContact O-N 3.05Å |
| 367 | V | 28.4 | Very low | 27.4 | Very low | 103 Ų | 103 | 117.2 Ų | 117.2 | 62% | 0.624 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -82.5 | -21.2 | -177.6 | 179.9 | 0 | 0 | 0 | 0 | 113.1 | I363 N369 | I363-V367 HydrophobicContact CG2-CG2 4.15Å; I363-V367 WeakPolarHBondContact O-CG2 3.32Å; I363-V367 PolarHBondContact O-N 3.06Å; V367-N369 PolarHBondContact O-N 3.05Å |
| 368 | L | 28.4 | Very low | 27.2 | Very low | 141 Ų | 141 | 121.4 Ų | 121.4 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -0.5 | -174 | -73.3 | 171.1 | 0 | 0 | 0 | 116.4 | | |
| 369 | N | 25.5 | Very low | 27.2 | Very low | 145 Ų | 145 | 124.8 Ų | 124.8 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 20.3 | 179 | -82.2 | -25.6 | 0 | 0 | 0 | 114.3 | V367 P371 | V367-N369 PolarHBondContact O-N 3.05Å; N369-P371 VanDerWaalsContact O-CD 3.25Å; N369-P371 WeakPolarHBondContact O-CD 3.33Å |
| 370 | A | 24.1 | Very low | 27.1 | Very low | 79 Ų | 79 | 125.9 Ų | 125.9 | 65% | 0.653 | 72% | 0.724 | S | S | * | * | | | trans | -81.8 | 113.8 | 166 | 0 | 0 | 0 | 0 | 0 | 109.3 | G372 | A370-G372 PolarHBondContact O-N 3.33Š|
| 371 | P | 24.3 | Very low | 27.1 | Very low | 137 Ų | 137 | 126.8 Ų | 126.8 | 89% | 0.89 | 73% | 0.729 | S | S | * | * | | | trans | -74.5 | 81 | 175 | 31.1 | -31.8 | 0 | 0 | 0 | 109 | N369 | N369-P371 VanDerWaalsContact O-CD 3.25Å; N369-P371 WeakPolarHBondContact O-CD 3.33Å |
| 372 | G | 27.9 | Very low | 27.2 | Very low | 69 Ų | 69 | 125.8 Ų | 125.8 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | | | trans | -109.6 | 106.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | A370 | A370-G372 PolarHBondContact O-N 3.33Š|
| 373 | Q | 25.9 | Very low | 27.3 | Very low | 199 Ų | 199 | 127.6 Ų | 127.6 | 93% | 0.93 | 74% | 0.74 | S | S | * | * | | | trans | -55.3 | 137 | 174.8 | -68.7 | 168.3 | -36.4 | 0 | 0 | 112.4 | | |
| 374 | G | 26.6 | Very low | 27.3 | Very low | 83 Ų | 83 | 129.6 Ų | 129.6 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | | | trans | 71.5 | 98.5 | 138.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 375 | G | 24.9 | Very low | 27.3 | Very low | 70 Ų | 70 | 129.3 Ų | 129.3 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | | | trans | 162.8 | 51.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | M377 | G375-M377 VanDerWaalsContact C-N 3.32Å; G375-M377 PolarHBondContact O-N 3.35Å |
| 376 | F | 25.8 | Very low | 27.6 | Very low | 212 Ų | 212 | 131.8 Ų | 131.8 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | | | trans | -67.8 | 97.3 | 165.3 | -68.1 | -83.2 | 0 | 0 | 0 | 107.4 | E378 | F376-E378 PolarHBondContact O-N 2.85Å; F376-E378 VanDerWaalsContact O-N 3.11Å |
| 377 | M | 28.1 | Very low | 27.6 | Very low | 163 Ų | 163 | 130 Ų | 130 | 80% | 0.803 | 77% | 0.774 | S | S | * | * | | | trans | -68.1 | 102.9 | 158.2 | -88.3 | -173.5 | -52.8 | 0 | 0 | 106.4 | G375 L379 | G375-M377 VanDerWaalsContact C-N 3.32Å; G375-M377 PolarHBondContact O-N 3.35Å; M377-L379 PolarHBondContact O-N 3.27Å |
| 378 | E | 26.1 | Very low | 27.6 | Very low | 171 Ų | 171 | 131.8 Ų | 131.8 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | | | trans | -60 | 91.3 | 160.3 | -120.7 | 176.5 | 172.2 | 0 | 0 | 107 | F376 L380 | F376-E378 PolarHBondContact O-N 2.85Å; F376-E378 VanDerWaalsContact O-N 3.11Å; E378-L380 PolarHBondContact O-N 2.9Å |
| 379 | L | 28.3 | Very low | 27.5 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | trans | -70.3 | 85.7 | 166.5 | -88.4 | 156.6 | 0 | 0 | 0 | 106.8 | M377 N381 | M377-L379 PolarHBondContact O-N 3.27Å; L379-N381 PolarHBondContact O-N 2.78Å |
| 380 | L | 27.5 | Very low | 27.6 | Very low | 152 Ų | 152 | 136.2 Ų | 136.2 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | | | trans | -54.9 | 127.3 | 170.1 | -76.3 | 153.2 | 0 | 0 | 0 | 109 | E378 | E378-L380 PolarHBondContact O-N 2.9Š|
| 381 | N | 26.2 | Very low | 27.6 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | -10.1 | 130.5 | -179.6 | -84.2 | -23.6 | 0 | 0 | 0 | 118.3 | L379 D383 | L379-N381 PolarHBondContact O-N 2.78Å; N381-D383 PolarHBondContact O-N 2.76Å |
| 382 | P | 31.6 | Very low | 27.7 | Very low | 111 Ų | 111 | 139 Ų | 139 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 13.2 | 178 | 32 | -35.4 | 0 | 0 | 0 | 115.4 | N384 | P382-N384 PolarHBondContact O-N 3.24Š|
| 383 | D | 31.5 | Very low | 27.6 | Very low | 139 Ų | 139 | 143 Ų | 143 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 2.3 | -172.3 | -79.7 | -28 | 0 | 0 | 0 | 115.4 | N381 | N381-D383 PolarHBondContact O-N 2.76Š|
| 384 | N | 28.9 | Very low | 27.9 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | trans | -116.1 | 78.6 | 172.9 | -89.3 | 15 | 0 | 0 | 0 | 110.9 | P382 D386 | P382-N384 PolarHBondContact O-N 3.24Å; N384-D386 PolarHBondContact O-N 3.32Å; N384-D386 VanDerWaalsContact O-N 3.17Å |
| 385 | C | 27.4 | Very low | 28.1 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | | | trans | -77.9 | 29 | 166.4 | -67.3 | 0 | 0 | 0 | 0 | 113 | G387 | C385-G387 PolarHBondContact O-N 3.31Š|
| 386 | D | 33.5 | Very low | 28.3 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -78.5 | 115.6 | 163.7 | -76.7 | -27.7 | 0 | 0 | 0 | 106.3 | N384 E388 | N384-D386 PolarHBondContact O-N 3.32Å; N384-D386 VanDerWaalsContact O-N 3.17Å; D386-E388 PolarHBondContact O-N 2.74Å |
| 387 | G | 28 | Very low | 28.4 | Very low | 75 Ų | 75 | 137 Ų | 137 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | trans | -63.4 | 46.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116 | C385 H389 | C385-G387 PolarHBondContact O-N 3.31Å; G387-H389 PolarHBondContact O-N 3.13Å |
| 388 | E | 28.6 | Very low | 28.2 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | | | trans | -67.4 | 98.9 | 162.1 | -69.4 | -77.4 | 142.1 | 0 | 0 | 106.8 | D386 Y390 | D386-E388 PolarHBondContact O-N 2.74Å; E388-Y390 HydrophobicContact CB-CE2 4.22Å; E388-Y390 WeakPolarHBondContact O-CD2 3.35Å; E388-Y390 PolarHBondContact O-N 3.42Å |
| 389 | H | 26.7 | Very low | 28.1 | Very low | 182 Ų | 182 | 127.6 Ų | 127.6 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | | | trans | -54.5 | 91.5 | 166 | -90.2 | -93.5 | 0 | 0 | 0 | 108.8 | G387 S391 | G387-H389 PolarHBondContact O-N 3.13Å; H389-S391 VanDerWaalsContact C-N 3.27Å; H389-S391 PolarHBondContact O-N 2.9Å |
| 390 | Y | 27.3 | Very low | 28.2 | Very low | 197 Ų | 197 | 125 Ų | 125 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | | | trans | -64.7 | 97.6 | 164.3 | -66.6 | -81.3 | 0 | 0 | 0 | 106.5 | E388 L392 | E388-Y390 HydrophobicContact CB-CE2 4.22Å; E388-Y390 WeakPolarHBondContact O-CD2 3.35Å; E388-Y390 PolarHBondContact O-N 3.42Å; Y390-L392 VanDerWaalsContact C-N 3.33Å; Y390-L392 PolarHBondContact O-N 3.07Å |
| 391 | S | 25 | Very low | 28.3 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | | | trans | -58.3 | 104.8 | 165.9 | -73.2 | 0 | 0 | 0 | 0 | 106.1 | H389 H393 | H389-S391 VanDerWaalsContact C-N 3.27Å; H389-S391 PolarHBondContact O-N 2.9Å; S391-H393 PolarHBondContact O-N 3.24Å |
| 392 | L | 27 | Very low | 28.6 | Very low | 161 Ų | 161 | 124.7 Ų | 124.7 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | | | trans | -56.3 | 95 | 169.4 | -89.8 | 155.3 | 0 | 0 | 0 | 106.9 | Y390 V394 | Y390-L392 VanDerWaalsContact C-N 3.33Å; Y390-L392 PolarHBondContact O-N 3.07Å; L392-V394 PolarHBondContact O-N 2.95Å |
| 393 | H | 24.7 | Very low | 28.5 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | | | trans | -70.2 | 87.2 | 164.6 | -162.4 | -32.1 | 0 | 0 | 0 | 105 | S391 P395 | S391-H393 PolarHBondContact O-N 3.24Å; H393-P395 WeakPolarHBondContact O-CD 3.2Å |
| 394 | V | 32.6 | Very low | 28.7 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | | | trans | -55.2 | 114.7 | 159.7 | -177.4 | 0 | 0 | 0 | 0 | 103.6 | L392 D396 | L392-V394 PolarHBondContact O-N 2.95Å; V394-D396 PolarHBondContact O-N 3.2Å |
| 395 | P | 30 | Very low | 29.1 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | | | trans | -55.8 | 133.6 | 174.6 | 22 | -29.8 | 0 | 0 | 0 | 105.9 | H393 G397 | H393-P395 WeakPolarHBondContact O-CD 3.2Å; P395-G397 PolarHBondContact O-N 3.07Å |
| 396 | D | 30.1 | Very low | 29.6 | Very low | 153 Ų | 153 | 127 Ų | 127 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | trans | -55.1 | 91.7 | 167.2 | -76.2 | -41.2 | 0 | 0 | 0 | 105.9 | V394 G398 | V394-D396 PolarHBondContact O-N 3.2Å; D396-G398 PolarHBondContact O-N 3.18Å |
| 397 | G | 27 | Very low | 29.7 | Very low | 72 Ų | 72 | 126 Ų | 126 | 74% | 0.742 | 73% | 0.73 | S | S | * | * | | | trans | -62.9 | 93.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 103.8 | P395 G399 | P395-G397 PolarHBondContact O-N 3.07Å; G397-G399 PolarHBondContact O-N 3.32Å; G397-G399 VanDerWaalsContact O-N 3.17Å |
| 398 | G | 24.3 | Very low | 30.1 | Very low | 55 Ų | 55 | 127.1 Ų | 127.1 | 57% | 0.567 | 72% | 0.723 | S | S | * | * | | | trans | -45 | 128.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | D396 T400 | D396-G398 PolarHBondContact O-N 3.18Å; G398-T400 PolarHBondContact O-N 3.43Å |
| 399 | G | 24.5 | Very low | 30.9 | Very low | 82 Ų | 82 | 127.3 Ų | 127.3 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | | | trans | -57.7 | 73 | 173 | 0 | 0 | 0 | 0 | 0 | 109.8 | G397 S401 | G397-G399 PolarHBondContact O-N 3.32Å; G397-G399 VanDerWaalsContact O-N 3.17Å; G399-S401 PolarHBondContact O-N 2.96Å |
| 400 | T | 30 | Very low | 31.5 | Very low | 106 Ų | 106 | 123.7 Ų | 123.7 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | | | trans | -78.2 | 81.8 | 153 | 61.4 | 0 | 0 | 0 | 0 | 102.9 | G398 K402 | G398-T400 PolarHBondContact O-N 3.43Å; T400-K402 PolarHBondContact O-N 3.46Å |
| 401 | S | 30.5 | Very low | 32.1 | Very low | 103 Ų | 103 | 120.8 Ų | 120.8 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | | | trans | -53.2 | 71.1 | 145.5 | 166.3 | 0 | 0 | 0 | 0 | 106.6 | G399 R403 | G399-S401 PolarHBondContact O-N 2.96Å; S401-R403 PolarHBondContact O-N 3.18Å |
| 402 | K | 32 | Very low | 32.8 | Very low | 175 Ų | 175 | 121.6 Ų | 121.6 | 76% | 0.761 | 70% | 0.704 | S | S | * | * | | | trans | -67.5 | 89.3 | 159.3 | -72.4 | -169.3 | 179.7 | -177.8 | 0 | 102.6 | T400 L404 | T400-K402 PolarHBondContact O-N 3.46Å; K402-L404 PolarHBondContact O-N 3.49Å |
| 403 | R | 29.8 | Very low | 33.3 | Very low | 205 Ų | 205 | 120.6 Ų | 120.6 | 77% | 0.774 | 70% | 0.699 | S | S | * | * | | | trans | -42.9 | 118.4 | 158.6 | -80.5 | -177.3 | 171.5 | -148.9 | -1.6 | 104.4 | S401 P405 | S401-R403 PolarHBondContact O-N 3.18Å; R403-P405 VanDerWaalsContact O-N 3.16Å |
| 404 | L | 34.8 | Very low | 33.7 | Very low | 152 Ų | 152 | 117.6 Ų | 117.6 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | | | trans | -45.6 | 127.5 | 165.4 | -72.2 | 163.5 | 0 | 0 | 0 | 105.8 | K402 S406 | K402-L404 PolarHBondContact O-N 3.49Å; L404-S406 PolarHBondContact O-N 2.98Å |
| 405 | P | 38.5 | Very low | 33.7 | Very low | 89 Ų | 89 | 118.8 Ų | 118.8 | 58% | 0.578 | 70% | 0.697 | S | S | * | * | | | trans | -47.9 | 119.4 | 178.8 | -24.7 | 32 | 0 | 0 | 0 | 107.4 | R403 D407 | R403-P405 VanDerWaalsContact O-N 3.16Å; P405-D407 PolarHBondContact O-N 2.99Å; P405-D407 VanDerWaalsContact O-N 3.09Å |
| 406 | S | 37.5 | Very low | 34.1 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -75.2 | 9.3 | -177.8 | -53.2 | 0 | 0 | 0 | 0 | 111.7 | L404 | L404-S406 PolarHBondContact O-N 2.98Š|
| 407 | D | 34 | Very low | 34 | Very low | 108 Ų | 108 | 119 Ų | 119 | 58% | 0.578 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -130.2 | 121.6 | 174.8 | -117 | -35.2 | 0 | 0 | 0 | 109.8 | P405 E409 | P405-D407 PolarHBondContact O-N 2.99Å; P405-D407 VanDerWaalsContact O-N 3.09Å; D407-E409 PolarHBondContact O-N 2.83Å |
| 408 | P | 38.4 | Very low | 34.3 | Very low | 98 Ų | 98 | 120.9 Ų | 120.9 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -72.2 | -0.3 | 179.8 | 27.9 | -33 | 0 | 0 | 0 | 114.3 | | |
| 409 | E | 43.9 | Very low | 34.6 | Very low | 146 Ų | 146 | 122.6 Ų | 122.6 | 68% | 0.682 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -77.7 | -22.4 | 178.9 | -67.7 | -88.3 | 113.8 | 0 | 0 | 112.9 | D407 L411 N412 | D407-E409 PolarHBondContact O-N 2.83Å; E409-L411 PolarHBondContact O-N 3.17Å; E409-N412 PolarHBondContact O-N 3.02Å |
| 410 | D | 40.1 | Very low | 34.8 | Very low | 107 Ų | 107 | 123.9 Ų | 123.9 | 57% | 0.572 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -75 | -5.3 | 179.3 | -86.1 | -9.2 | 0 | 0 | 0 | 113.8 | N412 | D410-N412 PolarHBondContact O-N 3.28Š|
| 411 | L | 40.5 | Very low | 34.7 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 71% | 0.707 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -75 | -8.5 | 174.5 | -85 | 162.6 | 0 | 0 | 0 | 113.3 | E409 | E409-L411 PolarHBondContact O-N 3.17Š|
| 412 | N | 39.5 | Very low | 34.6 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -85.4 | -7.9 | 177.9 | -74.1 | -38.8 | 0 | 0 | 0 | 114.3 | E409 D410 C414 | E409-N412 PolarHBondContact O-N 3.02Å; D410-N412 PolarHBondContact O-N 3.28Å; N412-C414 VanDerWaalsContact C-N 3.35Å |
| 413 | D | 36.7 | Very low | 34.4 | Very low | 140 Ų | 140 | 122.4 Ų | 122.4 | 75% | 0.749 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -88.1 | -1.3 | 178.7 | -80.3 | -11.2 | 0 | 0 | 0 | 113.9 | N415 | D413-N415 PolarHBondContact O-N 2.87Š|
| 414 | C | 32.7 | Very low | 34.4 | Very low | 92 Ų | 92 | 119.8 Ų | 119.8 | 62% | 0.622 | 70% | 0.701 | S | S | * | * | | | trans | -77.5 | 65.9 | 166.9 | -71.6 | 0 | 0 | 0 | 0 | 110.5 | N412 L416 | N412-C414 VanDerWaalsContact C-N 3.35Å; C414-L416 HydrophobicContact CB-CG 4.45Å; C414-L416 PolarHBondContact O-N 3.12Å |
| 415 | N | 33.3 | Very low | 34 | Very low | 137 Ų | 137 | 116.5 Ų | 116.5 | 73% | 0.733 | 70% | 0.703 | S | S | * | * | | | trans | -69.3 | 71.4 | 161.4 | -159.2 | 10.9 | 0 | 0 | 0 | 107.9 | D413 N417 | D413-N415 PolarHBondContact O-N 2.87Å; N415-N417 PolarHBondContact O-N 3.09Å |
| 416 | L | 38.8 | Very low | 33.4 | Very low | 152 Ų | 152 | 120.7 Ų | 120.7 | 80% | 0.796 | 72% | 0.715 | S | S | * | * | | | trans | -67.3 | 83.1 | 171.6 | -72.9 | 170.4 | 0 | 0 | 0 | 107 | C414 P418 | C414-L416 HydrophobicContact CB-CG 4.45Å; C414-L416 PolarHBondContact O-N 3.12Å; L416-P418 WeakPolarHBondContact O-CD 3.32Å |
| 417 | N | 28.4 | Very low | 32.9 | Very low | 105 Ų | 105 | 120 Ų | 120 | 56% | 0.561 | 71% | 0.711 | S | S | * | * | | | trans | -67.1 | 111.1 | 171.4 | -133.8 | -12.6 | 0 | 0 | 0 | 106.6 | N415 S419 | N415-N417 PolarHBondContact O-N 3.09Å; N417-S419 PolarHBondContact O-N 2.74Å |
| 418 | P | 32 | Very low | 32.5 | Very low | 110 Ų | 110 | 120.9 Ų | 120.9 | 71% | 0.714 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -70.9 | 3 | -174.9 | 28 | -32.2 | 0 | 0 | 0 | 113.3 | L416 S420 | L416-P418 WeakPolarHBondContact O-CD 3.32Å; P418-S420 VanDerWaalsContact C-N 3.35Å; P418-S420 PolarHBondContact O-N 3.26Å |
| 419 | S | 30.8 | Very low | 32 | Very low | 91 Ų | 91 | 123.7 Ų | 123.7 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -79.8 | -8.4 | -177.3 | -54 | 0 | 0 | 0 | 0 | 115 | N417 | N417-S419 PolarHBondContact O-N 2.74Š|
| 420 | S | 27.8 | Very low | 31.1 | Very low | 109 Ų | 109 | 122.1 Ų | 122.1 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -85.9 | -10.4 | -178 | -53.7 | 0 | 0 | 0 | 0 | 114.7 | P418 | P418-S420 VanDerWaalsContact C-N 3.35Å; P418-S420 PolarHBondContact O-N 3.26Å |
| 421 | A | 29.7 | Very low | 30.4 | Very low | 93 Ų | 93 | 123.2 Ų | 123.2 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -94.2 | 1.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 422 | L | 28.4 | Very low | 29.6 | Very low | 155 Ų | 155 | 120.8 Ų | 120.8 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -108.1 | 8.2 | -175.7 | -73.6 | 173.7 | 0 | 0 | 0 | 115.1 | | |
| 423 | S | 26.6 | Very low | 28.9 | Very low | 106 Ų | 106 | 118.8 Ų | 118.8 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | | | trans | -104.7 | 62.2 | 174.9 | -73 | 0 | 0 | 0 | 0 | 111.8 | | |
| 424 | D | 30.9 | Very low | 28.4 | Very low | 149 Ų | 149 | 118.4 Ų | 118.4 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | -147.1 | 85.6 | 150.4 | -87.2 | -39.9 | 0 | 0 | 0 | 107.7 | Q426 | D424-Q426 PolarHBondContact O-N 3.48Š|
| 425 | G | 25.2 | Very low | 28.1 | Very low | 83 Ų | 83 | 119.3 Ų | 119.3 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | | | trans | -67.2 | 76.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | S427 | G425-S427 PolarHBondContact O-N 2.96Š|
| 426 | Q | 26.9 | Very low | 27.7 | Very low | 177 Ų | 177 | 120.8 Ų | 120.8 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | | | trans | -83.1 | 100.8 | 160.5 | -77.6 | -179.7 | -4.8 | 0 | 0 | 107.4 | D424 | D424-Q426 PolarHBondContact O-N 3.48Š|
| 427 | S | 25.7 | Very low | 27 | Very low | 97 Ų | 97 | 123.2 Ų | 123.2 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | | | trans | -48.6 | 137.7 | 165 | -74.9 | 0 | 0 | 0 | 0 | 109 | G425 L429 | G425-S427 PolarHBondContact O-N 2.96Å; S427-L429 PolarHBondContact O-N 3.07Å |
| 428 | P | 26.2 | Very low | 26.8 | Very low | 126 Ų | 126 | 124 Ų | 124 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -64.5 | 89.4 | 176.8 | 25.8 | -32.2 | 0 | 0 | 0 | 108.4 | S430 | P428-S430 PolarHBondContact O-N 3.44Å; P428-S430 VanDerWaalsContact O-N 3.15Å |
| 429 | L | 27.7 | Very low | 26.5 | Very low | 157 Ų | 157 | 123.5 Ų | 123.5 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | trans | -63.2 | 119 | 171 | -107.4 | 123.5 | 0 | 0 | 0 | 106.3 | S427 V431 | S427-L429 PolarHBondContact O-N 3.07Å; L429-V431 VanDerWaalsContact C-N 3.28Å; L429-V431 PolarHBondContact O-N 2.95Å |
| 430 | S | 24.9 | Very low | 26.2 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | | | trans | -57.3 | 88.4 | 177.6 | -47.8 | 0 | 0 | 0 | 0 | 109.7 | P428 A432 | P428-S430 PolarHBondContact O-N 3.44Å; P428-S430 VanDerWaalsContact O-N 3.15Å; S430-A432 PolarHBondContact O-N 3.37Å |
| 431 | V | 25.6 | Very low | 26.2 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | | | trans | -77.7 | 78.7 | 162.8 | -169.4 | 0 | 0 | 0 | 0 | 105.9 | L429 S433 | L429-V431 VanDerWaalsContact C-N 3.28Å; L429-V431 PolarHBondContact O-N 2.95Å; V431-S433 PolarHBondContact O-N 3.01Å |
| 432 | A | 23.4 | Very low | 26 | Very low | 83 Ų | 83 | 129 Ų | 129 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | | | trans | -67.7 | 73.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | S430 T434 | S430-A432 PolarHBondContact O-N 3.37Å; A432-T434 PolarHBondContact O-N 3.3Å |
| 433 | S | 25.6 | Very low | 25.9 | Very low | 89 Ų | 89 | 129.9 Ų | 129.9 | 62% | 0.622 | 76% | 0.757 | S | S | * | * | | | trans | -77.8 | 102.3 | 168.1 | -173 | 0 | 0 | 0 | 0 | 107.3 | V431 D435 | V431-S433 PolarHBondContact O-N 3.01Å; S433-D435 PolarHBondContact O-N 3.25Å |
| 434 | T | 25.4 | Very low | 25.9 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | -74.2 | 14.3 | 177.9 | 39.3 | 0 | 0 | 0 | 0 | 113.9 | A432 N436 | A432-T434 PolarHBondContact O-N 3.3Å; T434-N436 PolarHBondContact O-N 2.76Å |
| 435 | D | 26.5 | Very low | 25.6 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 60% | 0.599 | 75% | 0.754 | S | S | * | * | | | trans | -91.6 | 87.8 | 177.8 | -95.6 | -49.8 | 0 | 0 | 0 | 111.1 | S433 R437 | S433-D435 PolarHBondContact O-N 3.25Å; D435-R437 PolarHBondContact O-N 3.06Å |
| 436 | N | 24.7 | Very low | 25.6 | Very low | 168 Ų | 168 | 130.3 Ų | 130.3 | 90% | 0.898 | 75% | 0.746 | S | S | * | * | | | trans | -66.3 | 33.1 | 163.1 | -80.1 | -29.6 | 0 | 0 | 0 | 112.6 | T434 V438 | T434-N436 PolarHBondContact O-N 2.76Å; N436-V438 PolarHBondContact O-N 3.24Å |
| 437 | R | 24.2 | Very low | 25.5 | Very low | 203 Ų | 203 | 130.1 Ų | 130.1 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | | | trans | -90.1 | 96 | 170.7 | -70.3 | -172.1 | 178.8 | -160.2 | 0.1 | 107 | D435 P439 | D435-R437 PolarHBondContact O-N 3.06Å; R437-P439 WeakPolarHBondContact O-CD 3.3Å |
| 438 | V | 24.3 | Very low | 25.4 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | | | trans | -47.2 | 113 | 161.7 | 178.3 | 0 | 0 | 0 | 0 | 106.7 | N436 T440 | N436-V438 PolarHBondContact O-N 3.24Å; V438-T440 PolarHBondContact O-N 3.26Å; V438-T440 PolarHBondContact O-OG1 2.67Å |
| 439 | P | 25.1 | Very low | 25.2 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | | | trans | -60.3 | 112.2 | -179.8 | -18.9 | 30.7 | 0 | 0 | 0 | 107.2 | R437 D441 | R437-P439 WeakPolarHBondContact O-CD 3.3Å; P439-D441 PolarHBondContact O-N 3.28Å |
| 440 | T | 26 | Very low | 25 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 71% | 0.712 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 6.9 | 179.6 | -26 | 0 | 0 | 0 | 0 | 111.2 | V438 | V438-T440 PolarHBondContact O-N 3.26Å; V438-T440 PolarHBondContact O-OG1 2.67Å |
| 441 | D | 26.3 | Very low | 24.9 | Very low | 141 Ų | 141 | 130.7 Ų | 130.7 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | 5.3 | -167.6 | -60.8 | -29.5 | 0 | 0 | 0 | 114.2 | P439 K443 | P439-D441 PolarHBondContact O-N 3.28Å; D441-K443 PolarHBondContact O-N 2.73Å |
| 442 | L | 26 | Very low | 24.7 | Very low | 153 Ų | 153 | 129.2 Ų | 129.2 | 80% | 0.801 | 73% | 0.729 | S | S | * | * | | | trans | -79.2 | 31 | 163.2 | -73.1 | 169.3 | 0 | 0 | 0 | 112 | S444 | L442-S444 PolarHBondContact O-N 2.74Š|
| 443 | K | 26.1 | Very low | 24.7 | Very low | 173 Ų | 173 | 129.9 Ų | 129.9 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -76.7 | 106.7 | 165.9 | -114.4 | 176.9 | 177.4 | 176.8 | 0 | 106.7 | D441 D445 | D441-K443 PolarHBondContact O-N 2.73Å; K443-D445 PolarHBondContact O-N 3.42Å |
| 444 | S | 27.1 | Very low | 24.4 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | | | trans | 64.6 | 34.5 | 156.8 | 59.7 | 0 | 0 | 0 | 0 | 117.8 | L442 C446 | L442-S444 PolarHBondContact O-N 2.74Å; S444-C446 PolarHBondContact O-N 3.31Å |
| 445 | D | 25 | Very low | 24.2 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | | | trans | -68.3 | 98.4 | 151.6 | -88.6 | -20.3 | 0 | 0 | 0 | 107.1 | K443 L447 | K443-D445 PolarHBondContact O-N 3.42Å; D445-L447 PolarHBondContact O-N 2.84Å |
| 446 | C | 24.5 | Very low | 23.9 | Very low | 103 Ų | 103 | 136 Ų | 136 | 70% | 0.696 | 74% | 0.739 | S | S | * | * | | | trans | -43 | 110.8 | 173.6 | -59.8 | 0 | 0 | 0 | 0 | 108.4 | S444 T448 | S444-C446 PolarHBondContact O-N 3.31Å; C446-T448 PolarHBondContact O-N 3.33Å |
| 447 | L | 25.3 | Very low | 23.7 | Very low | 172 Ų | 172 | 133.9 Ų | 133.9 | 90% | 0.901 | 73% | 0.732 | S | S | * | * | | | trans | -59.3 | 77.9 | 152.5 | -72.1 | 164.6 | 0 | 0 | 0 | 106.2 | D445 P449 | D445-L447 PolarHBondContact O-N 2.84Å; L447-P449 WeakPolarHBondContact O-CD 3.31Å; L447-P449 VanDerWaalsContact O-N 3.12Å |
| 448 | T | 23.9 | Very low | 23.5 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 64% | 0.638 | 73% | 0.729 | S | S | * | * | | | trans | -60.3 | 112.1 | 161.4 | 25.6 | 0 | 0 | 0 | 0 | 104.7 | C446 H450 | C446-T448 PolarHBondContact O-N 3.33Å; T448-H450 PolarHBondContact O-N 3.33Å |
| 449 | P | 22.8 | Very low | 23.2 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 69% | 0.688 | 73% | 0.727 | S | S | * | * | | | trans | -55.9 | 119.5 | 172.9 | 23.1 | -30.9 | 0 | 0 | 0 | 106 | L447 V451 | L447-P449 WeakPolarHBondContact O-CD 3.31Å; L447-P449 VanDerWaalsContact O-N 3.12Å; P449-V451 HydrophobicContact CG-CG2 4.47Å; P449-V451 PolarHBondContact O-N 3.33Å |
| 450 | H | 22.6 | Very low | 23 | Very low | 176 Ų | 176 | 130 Ų | 130 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | | | trans | -63.3 | 86.8 | 166.9 | -78.9 | -81.3 | 0 | 0 | 0 | 106.5 | T448 V452 | T448-H450 PolarHBondContact O-N 3.33Å; H450-V452 PolarHBondContact O-N 2.81Å |
| 451 | V | 23.1 | Very low | 22.7 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | | | trans | -68.1 | 89.1 | 167.2 | -178.9 | 0 | 0 | 0 | 0 | 104.6 | P449 P453 | P449-V451 HydrophobicContact CG-CG2 4.47Å; P449-V451 PolarHBondContact O-N 3.33Å; V451-P453 WeakPolarHBondContact O-CD 3.23Å |
| 452 | V | 21.3 | Very low | 22.4 | Very low | 99 Ų | 99 | 128.9 Ų | 128.9 | 60% | 0.6 | 73% | 0.728 | S | S | * | * | | | trans | -66.6 | 112.7 | 168.4 | 179.5 | 0 | 0 | 0 | 0 | 105.5 | H450 Y454 | H450-V452 PolarHBondContact O-N 2.81Å; V452-Y454 PolarHBondContact O-N 3.1Å |
| 453 | P | 22.4 | Very low | 22 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | | | trans | -67.2 | 103.4 | 176.4 | 27.2 | -30.7 | 0 | 0 | 0 | 107.3 | V451 L455 | V451-P453 WeakPolarHBondContact O-CD 3.23Å; P453-L455 PolarHBondContact O-N 2.88Å |
| 454 | Y | 21 | Very low | 21.8 | Very low | 210 Ų | 210 | 124.6 Ų | 124.6 | 82% | 0.824 | 73% | 0.726 | S | S | * | * | | | trans | -64.6 | 90.7 | 162.6 | -81.3 | -88 | 0 | 0 | 0 | 107.1 | V452 S456 | V452-Y454 PolarHBondContact O-N 3.1Å; Y454-S456 PolarHBondContact O-N 2.81Å |
| 455 | L | 20.8 | Very low | 21.4 | Very low | 155 Ų | 155 | 124.5 Ų | 124.5 | 81% | 0.812 | 73% | 0.726 | S | S | * | * | | | trans | -66.7 | 70 | 164.8 | -75.5 | 162.2 | 0 | 0 | 0 | 108.2 | P453 V457 | P453-L455 PolarHBondContact O-N 2.88Å; L455-V457 VanDerWaalsContact C-N 3.32Å; L455-V457 PolarHBondContact O-N 2.92Å; L455-V457 VanDerWaalsContact O-N 3.09Å |
| 456 | S | 20.1 | Very low | 21.2 | Very low | 94 Ų | 94 | 126.9 Ų | 126.9 | 66% | 0.657 | 73% | 0.73 | S | S | * | * | | | trans | -73.9 | 97.2 | 160.4 | 40.6 | 0 | 0 | 0 | 0 | 106.7 | Y454 V458 | Y454-S456 PolarHBondContact O-N 2.81Å; S456-V458 PolarHBondContact O-N 3.28Å |
| 457 | V | 19.9 | Very low | 21 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | | | trans | -59.2 | 82.4 | 169.2 | -179.1 | 0 | 0 | 0 | 0 | 108 | L455 S459 | L455-V457 VanDerWaalsContact C-N 3.32Å; L455-V457 PolarHBondContact O-N 2.92Å; L455-V457 VanDerWaalsContact O-N 3.09Å; V457-S459 VanDerWaalsContact C-N 3.32Å; V457-S459 PolarHBondContact O-N 3.46Å |
| 458 | V | 19.8 | Very low | 20.8 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 70% | 0.703 | 72% | 0.723 | S | S | * | * | | | trans | -82.6 | 92.4 | 162.6 | -177.3 | 0 | 0 | 0 | 0 | 105.1 | S456 V460 | S456-V458 PolarHBondContact O-N 3.28Å; V458-V460 HydrophobicContact CG1-CG2 4.27Å; V458-V460 PolarHBondContact O-N 3.23Å |
| 459 | S | 19.1 | Very low | 20.7 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | | | trans | -55.9 | 96.7 | 171.2 | -42.7 | 0 | 0 | 0 | 0 | 108.6 | V457 P461 | V457-S459 VanDerWaalsContact C-N 3.32Å; V457-S459 PolarHBondContact O-N 3.46Å; S459-P461 WeakPolarHBondContact O-CD 3.36Å |
| 460 | V | 19.2 | Very low | 20.6 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | | | trans | -92.4 | 104.1 | 165.6 | -173.5 | 0 | 0 | 0 | 0 | 106.8 | V458 N462 | V458-V460 HydrophobicContact CG1-CG2 4.27Å; V458-V460 PolarHBondContact O-N 3.23Å; V460-N462 PolarHBondContact O-N 3.28Å |
| 461 | P | 20.3 | Very low | 20.6 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 66% | 0.656 | 74% | 0.739 | S | S | * | * | | | trans | -77.1 | 114.2 | 171.1 | 31.2 | -29 | 0 | 0 | 0 | 107.9 | S459 | S459-P461 WeakPolarHBondContact O-CD 3.36Š|
| 462 | N | 20 | Very low | 20.4 | Very low | 133 Ų | 133 | 127.5 Ų | 127.5 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | | | trans | 154.9 | 112.4 | 130.2 | -83.6 | -34.8 | 0 | 0 | 0 | 111.8 | V460 | V460-N462 PolarHBondContact O-N 3.28Š|
| 463 | C | 18.2 | Very low | 20.5 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | | | | 39.9 | 94.8 | 118 | -49.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 464 | V | 21.3 | Very low | 20.4 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | -134.4 | 106.8 | 139.7 | -168.7 | 0 | 0 | 0 | 0 | 107.5 | F466 | V464-F466 HydrophobicContact CG1-CD2 3.69Å; V464-F466 HydrophobicContact CG1-CE2 3.64Å; V464-F466 PolarHBondContact O-N 3.06Å |
| 465 | S | 18.2 | Very low | 20.7 | Very low | 101 Ų | 101 | 126.3 Ų | 126.3 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | trans | -67.5 | 118.3 | 167.2 | 60.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 466 | F | 22.3 | Very low | 20.7 | Very low | 191 Ų | 191 | 129.1 Ų | 129.1 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | trans | -115.4 | 94.7 | 155.4 | -93.1 | -84.1 | 0 | 0 | 0 | 108.2 | V464 | V464-F466 HydrophobicContact CG1-CD2 3.69Å; V464-F466 HydrophobicContact CG1-CE2 3.64Å; V464-F466 PolarHBondContact O-N 3.06Å |
| 467 | S | 19.5 | Very low | 20.9 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | | | trans | -62.7 | 123.3 | 156.2 | -40.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 468 | D | 21.8 | Very low | 21.1 | Very low | 151 Ų | 151 | 129.8 Ų | 129.8 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | | | trans | 169.2 | 87.4 | 145.8 | -86.3 | -17.1 | 0 | 0 | 0 | 106.6 | | |
| 469 | M | 20.7 | Very low | 21.3 | Very low | 180 Ų | 180 | 129.5 Ų | 129.5 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | | | | 41.7 | 76.9 | 95.7 | -73.4 | -157.5 | 76.1 | 0 | 0 | 113.6 | | |
| 470 | C | 21.9 | Very low | 21.7 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 89% | 0.892 | 80% | 0.799 | S | S | * | * | | | trans | -118.9 | 105 | 146.3 | -90.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 471 | S | 21.1 | Very low | 22 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | | | trans | -47.9 | 132.8 | 178.1 | 46.1 | 0 | 0 | 0 | 0 | 115.6 | G473 | S471-G473 PolarHBondContact O-N 2.7Š|
| 472 | T | 20.6 | Very low | 22.2 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | | | trans | 11 | 98.9 | 135.7 | 46 | 0 | 0 | 0 | 0 | 117 | | |
| 473 | G | 21.7 | Very low | 22.4 | Very low | 78 Ų | 78 | 133 Ų | 133 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -119.4 | 91.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | S471 A475 | S471-G473 PolarHBondContact O-N 2.7Å; G473-A475 PolarHBondContact O-N 3.4Å |
| 474 | K | 21.1 | Very low | 22.9 | Very low | 208 Ų | 208 | 136.4 Ų | 136.4 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | | | trans | -70.8 | 118.8 | 163.7 | -75.2 | -173.1 | 174.7 | -175 | 0 | 108 | | |
| 475 | A | 26.3 | Very low | 23.1 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | | | trans | -148.9 | 97.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | G473 G477 | G473-A475 PolarHBondContact O-N 3.4Å; A475-G477 PolarHBondContact O-N 3.42Å |
| 476 | F | 21.4 | Very low | 23.5 | Very low | 215 Ų | 215 | 141 Ų | 141 | 94% | 0.943 | 83% | 0.826 | S | S | * | * | | | trans | -57 | 123.9 | 157.2 | -89.1 | -106.7 | 0 | 0 | 0 | 107.6 | | |
| 477 | G | 24.7 | Very low | 23.7 | Very low | 73 Ų | 73 | 138.9 Ų | 138.9 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | | | trans | -122.6 | 118.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | A475 | A475-G477 PolarHBondContact O-N 3.42Š|
| 478 | D | 24.6 | Very low | 23.9 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 85% | 0.85 | 83% | 0.834 | S | S | * | * | | | trans | -55 | 136.8 | -172.1 | -72.3 | -53.5 | 0 | 0 | 0 | 114.4 | E480 | D478-E480 PolarHBondContact O-N 3.35Š|
| 479 | A | 24.1 | Very low | 24.1 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | | | trans | -83.2 | 79.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 480 | E | 26 | Very low | 24.2 | Very low | 184 Ų | 184 | 139 Ų | 139 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | | | trans | -146.7 | 61.5 | 171.8 | -154.3 | 177.3 | -169.4 | 0 | 0 | 111.8 | D478 | D478-E480 PolarHBondContact O-N 3.35Š|
| 481 | S | 26.4 | Very low | 24.5 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | | | trans | -152.6 | 58 | 163.4 | 68.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 482 | A | 25 | Very low | 24.6 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | | | trans | -106.1 | 54.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 483 | T | 24.5 | Very low | 24.9 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | | | trans | -148.6 | 80.7 | 171.1 | 48.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 484 | K | 26.8 | Very low | 25.2 | Very low | 189 Ų | 189 | 140.6 Ų | 140.6 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | | | trans | -167.7 | 100.1 | 151.1 | -106.4 | 158.8 | -170.8 | -177.3 | 0 | 109.3 | T486 | K484-T486 PolarHBondContact O-N 2.71Å; K484-T486 VanDerWaalsContact O-N 3.07Å |
| 485 | E | 26.3 | Very low | 25.4 | Very low | 200 Ų | 200 | 133.4 Ų | 133.4 | 94% | 0.935 | 80% | 0.8 | S | S | * | * | | | trans | -50.8 | 105.8 | 149.1 | -77.9 | 173.4 | 133.9 | 0 | 0 | 107.7 | | |
| 486 | T | 27.7 | Very low | 25.4 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | | | trans | -128.2 | 98.3 | 159.1 | 46.8 | 0 | 0 | 0 | 0 | 107.1 | K484 | K484-T486 PolarHBondContact O-N 2.71Å; K484-T486 VanDerWaalsContact O-N 3.07Å |
| 487 | D | 25 | Very low | 25.7 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | | | trans | -43.2 | 142.2 | 154.3 | -71.8 | -43.5 | 0 | 0 | 0 | 110.1 | | |
| 488 | N | 24.4 | Very low | 25.8 | Very low | 163 Ų | 163 | 131 Ų | 131 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | | | trans | 84.4 | 71.8 | 176.8 | -46.3 | -55.4 | 0 | 0 | 0 | 116.1 | | |
| 489 | A | 26.1 | Very low | 25.9 | Very low | 76 Ų | 76 | 131.2 Ų | 131.2 | 63% | 0.628 | 77% | 0.769 | S | S | * | * | | | trans | -139.2 | 96.4 | 142.8 | 0 | 0 | 0 | 0 | 0 | 109 | L491 | A489-L491 HydrophobicContact CB-CG 4.14Å; A489-L491 PolarHBondContact O-N 2.77Å |
| 490 | H | 23.3 | Very low | 26 | Very low | 188 Ų | 188 | 132.6 Ų | 132.6 | 87% | 0.87 | 76% | 0.76 | S | S | * | * | | | trans | -50.9 | 82.1 | 147.6 | -89.4 | -90.7 | 0 | 0 | 0 | 108.2 | S492 | H490-S492 PolarHBondContact O-N 2.86Š|
| 491 | L | 26.5 | Very low | 26.1 | Very low | 152 Ų | 152 | 128.4 Ų | 128.4 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | | | trans | -84.6 | 75.4 | 159.9 | -70.4 | 168.3 | 0 | 0 | 0 | 105.3 | A489 P493 | A489-L491 HydrophobicContact CB-CG 4.14Å; A489-L491 PolarHBondContact O-N 2.77Å; L491-P493 WeakPolarHBondContact O-CD 3.37Å; L491-P493 VanDerWaalsContact O-N 3.17Å |
| 492 | S | 24 | Very low | 26 | Very low | 89 Ų | 89 | 126.8 Ų | 126.8 | 62% | 0.622 | 75% | 0.745 | S | S | * | * | | | trans | -53.7 | 119.9 | 154.7 | -68.1 | 0 | 0 | 0 | 0 | 105.6 | H490 S494 | H490-S492 PolarHBondContact O-N 2.86Å; S492-S494 VanDerWaalsContact C-N 3.34Å; S492-S494 PolarHBondContact O-N 3.45Å |
| 493 | P | 26.2 | Very low | 26 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | | | trans | -61.8 | 103.7 | 178.5 | 24.2 | -30.6 | 0 | 0 | 0 | 106.8 | L491 G495 | L491-P493 WeakPolarHBondContact O-CD 3.37Å; L491-P493 VanDerWaalsContact O-N 3.17Å; P493-G495 PolarHBondContact O-N 3.42Å |
| 494 | S | 28.1 | Very low | 26 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | | | trans | -71.5 | 57.4 | 159.7 | 60.5 | 0 | 0 | 0 | 0 | 107.7 | S492 D496 | S492-S494 VanDerWaalsContact C-N 3.34Å; S492-S494 PolarHBondContact O-N 3.45Å; S494-D496 VanDerWaalsContact C-N 3.34Å; S494-D496 PolarHBondContact O-N 3.12Å |
| 495 | G | 25.5 | Very low | 25.9 | Very low | 57 Ų | 57 | 124.8 Ų | 124.8 | 59% | 0.588 | 73% | 0.727 | S | S | * | * | | | trans | -84.3 | 89.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 105.3 | P493 L497 | P493-G495 PolarHBondContact O-N 3.42Å; G495-L497 PolarHBondContact O-N 2.82Å |
| 496 | D | 27.2 | Very low | 25.9 | Very low | 130 Ų | 130 | 121.7 Ų | 121.7 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | | | trans | -53.9 | 111.8 | 177.3 | -148.4 | 21.1 | 0 | 0 | 0 | 108 | S494 S498 M499 | S494-D496 VanDerWaalsContact C-N 3.34Å; S494-D496 PolarHBondContact O-N 3.12Å; D496-S498 WeakPolarHBondContact CB-OG 3.46Å; D496-S498 PolarHBondContact O-N 3.32Å; D496-S498 PolarHBondContact O-OG 3.04Å; D496-S498 PolarHBondContact OD2-OG 3.05Å; D496-M499 PolarHBondContact O-N 3.37Å |
| 497 | L | 27.4 | Very low | 25.8 | Very low | 139 Ų | 139 | 120.1 Ų | 120.1 | 73% | 0.728 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -59.3 | -7.4 | -178 | -75.3 | 166.2 | 0 | 0 | 0 | 112.7 | G495 M499 L500 | G495-L497 PolarHBondContact O-N 2.82Å; L497-M499 PolarHBondContact O-N 2.99Å; L497-L500 HydrophobicContact CD2-CD1 4.12Å; L497-L500 PolarHBondContact O-N 3.39Å |
| 498 | S | 25.9 | Very low | 25.8 | Very low | 64 Ų | 64 | 117 Ų | 117 | 45% | 0.448 | 71% | 0.706 | S | S | . | * | G | 310 helix | trans | -56.9 | -28.4 | 171.2 | 47.2 | 0 | 0 | 0 | 0 | 112.7 | D496 S501 | D496-S498 WeakPolarHBondContact CB-OG 3.46Å; D496-S498 PolarHBondContact O-N 3.32Å; D496-S498 PolarHBondContact O-OG 3.04Å; D496-S498 PolarHBondContact OD2-OG 3.05Å; S498-S501 PolarHBondContact O-N 3.38Å; S498-S501 PolarHBondContact O-OG 3.33Å |
| 499 | M | 27.7 | Very low | 25.7 | Very low | 163 Ų | 163 | 116.1 Ų | 116.1 | 80% | 0.803 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -77.4 | -19.4 | 176.7 | -81.6 | -161.4 | 48.2 | 0 | 0 | 115.3 | D496 L497 S501 | D496-M499 PolarHBondContact O-N 3.37Å; L497-M499 PolarHBondContact O-N 2.99Å; M499-S501 VanDerWaalsContact C-N 3.28Å |
| 500 | L | 26.3 | Very low | 25.4 | Very low | 138 Ų | 138 | 116.5 Ų | 116.5 | 72% | 0.723 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -82 | -8.5 | 173.2 | -73.4 | 171.8 | 0 | 0 | 0 | 112.8 | L497 A502 | L497-L500 HydrophobicContact CD2-CD1 4.12Å; L497-L500 PolarHBondContact O-N 3.39Å; L500-A502 VanDerWaalsContact C-N 3.26Å; L500-A502 PolarHBondContact O-N 3.41Å |
| 501 | S | 26.8 | Very low | 25.4 | Very low | 96 Ų | 96 | 114.2 Ų | 114.2 | 67% | 0.671 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -78.1 | -7.8 | 172.8 | 72.8 | 0 | 0 | 0 | 0 | 113.8 | S498 M499 | S498-S501 PolarHBondContact O-N 3.38Å; S498-S501 PolarHBondContact O-OG 3.33Å; M499-S501 VanDerWaalsContact C-N 3.28Å |
| 502 | A | 26.3 | Very low | 25.2 | Very low | 83 Ų | 83 | 113 Ų | 113 | 69% | 0.686 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -89.4 | -0.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L500 | L500-A502 VanDerWaalsContact C-N 3.26Å; L500-A502 PolarHBondContact O-N 3.41Å |
| 503 | Q | 24.8 | Very low | 25.1 | Very low | 182 Ų | 182 | 119.5 Ų | 119.5 | 85% | 0.85 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -136.2 | 18.1 | -172.5 | -101.6 | 171.5 | 12.2 | 0 | 0 | 116.6 | | |
| 504 | V | 23.9 | Very low | 24.9 | Very low | 99 Ų | 99 | 124 Ų | 124 | 60% | 0.6 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -106.9 | 112.2 | 162.9 | -174.1 | 0 | 0 | 0 | 0 | 107.7 | D506 | V504-D506 PolarHBondContact O-N 3.46Š|
| 505 | P | 25.2 | Very low | 24.6 | Very low | 96 Ų | 96 | 122.6 Ų | 122.6 | 62% | 0.623 | 68% | 0.681 | S | S | * | * | | | trans | -57.3 | 125.3 | 177.2 | -19 | 29.1 | 0 | 0 | 0 | 109.8 | A507 | P505-A507 HydrophobicContact CB-CB 4.35Å; P505-A507 PolarHBondContact O-N 3.29Å |
| 506 | D | 26 | Very low | 24.5 | Very low | 135 Ų | 135 | 126.6 Ų | 126.6 | 72% | 0.722 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | 10.3 | 170.8 | -89.6 | -35 | 0 | 0 | 0 | 114.4 | V504 | V504-D506 PolarHBondContact O-N 3.46Š|
| 507 | A | 25 | Very low | 24.3 | Very low | 83 Ų | 83 | 125.2 Ų | 125.2 | 69% | 0.686 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -13.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P505 | P505-A507 HydrophobicContact CB-CB 4.35Å; P505-A507 PolarHBondContact O-N 3.29Å |
| 508 | S | 25.3 | Very low | 24.1 | Very low | 83 Ų | 83 | 122.1 Ų | 122.1 | 58% | 0.58 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -17.8 | 176.3 | 49.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 509 | F | 22.6 | Very low | 24.1 | Very low | 144 Ų | 144 | 125.2 Ų | 125.2 | 63% | 0.632 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -84.5 | -11.1 | 176.2 | -81.2 | -79.9 | 0 | 0 | 0 | 114.6 | | |
| 510 | C | 20.7 | Very low | 24 | Very low | 84 Ų | 84 | 122.2 Ų | 122.2 | 57% | 0.568 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -81.2 | -12.1 | 179.6 | -77.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 511 | N | 23.1 | Very low | 24.2 | Very low | 139 Ų | 139 | 121.5 Ų | 121.5 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -88.6 | -5.8 | 174.9 | -79.6 | -24.6 | 0 | 0 | 0 | 114.6 | | |
| 512 | L | 22.1 | Very low | 24.1 | Very low | 127 Ų | 127 | 119.5 Ų | 119.5 | 67% | 0.665 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -14.5 | 170.6 | -93 | 150.3 | 0 | 0 | 0 | 113.7 | | |
| 513 | R | 21.9 | Very low | 24.2 | Very low | 225 Ų | 225 | 120.4 Ų | 120.4 | 85% | 0.849 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -85.7 | -14 | 173.5 | -103.9 | -171 | 169.3 | -173.2 | -1.5 | 115.1 | | |
| 514 | R | 22.1 | Very low | 24.3 | Very low | 218 Ų | 218 | 116.5 Ų | 116.5 | 82% | 0.823 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -94.8 | -0.6 | -179.4 | -101.3 | -176.7 | -176 | 167.5 | 2.8 | 116.3 | | |
| 515 | S | 20.8 | Very low | 24.6 | Very low | 90 Ų | 90 | 114.7 Ų | 114.7 | 63% | 0.629 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -122.9 | 13.6 | 174.3 | -151.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 516 | L | 23.3 | Very low | 24.7 | Very low | 140 Ų | 140 | 115.4 Ų | 115.4 | 73% | 0.733 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -104.8 | 5.1 | 167.5 | -66.7 | 175.7 | 0 | 0 | 0 | 112.9 | | |
| 517 | S | 23.6 | Very low | 24.7 | Very low | 102 Ų | 102 | 112.2 Ų | 112.2 | 71% | 0.713 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -88 | -2.1 | 170.1 | 67.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 518 | S | 22.8 | Very low | 25 | Very low | 74 Ų | 74 | 114.8 Ų | 114.8 | 52% | 0.517 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -87.9 | 105.7 | 159.1 | 58.5 | 0 | 0 | 0 | 0 | 106.9 | S520 | S518-S520 PolarHBondContact O-N 2.89Š|
| 519 | T | 25.6 | Very low | 25.3 | Very low | 128 Ų | 128 | 114 Ų | 114 | 79% | 0.785 | 64% | 0.644 | S | S | * | * | | | trans | -41.4 | 89.9 | 159.9 | 17.9 | 0 | 0 | 0 | 0 | 109.9 | N521 | T519-N521 PolarHBondContact O-N 2.82Å; T519-N521 VanDerWaalsContact O-N 3.13Å |
| 520 | S | 26.3 | Very low | 25.6 | Very low | 101 Ų | 101 | 114.1 Ų | 114.1 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | | | trans | -76.4 | 100.8 | 163 | 56.3 | 0 | 0 | 0 | 0 | 105.2 | S518 S522 | S518-S520 PolarHBondContact O-N 2.89Å; S520-S522 PolarHBondContact O-N 3.1Å |
| 521 | N | 29.7 | Very low | 25.9 | Very low | 122 Ų | 122 | 112.3 Ų | 112.3 | 65% | 0.652 | 65% | 0.647 | S | S | * | * | | | trans | -59 | 83.5 | 168.1 | -72 | -35.2 | 0 | 0 | 0 | 108.3 | T519 P523 | T519-N521 PolarHBondContact O-N 2.82Å; T519-N521 VanDerWaalsContact O-N 3.13Å; N521-P523 WeakPolarHBondContact O-CD 3.48Å |
| 522 | S | 26.3 | Very low | 26.2 | Very low | 55 Ų | 55 | 112.8 Ų | 112.8 | 39% | 0.385 | 65% | 0.649 | S | S | . | * | | | trans | -63.5 | 120.9 | 163.1 | 158.5 | 0 | 0 | 0 | 0 | 107.2 | S520 V524 A525 Q526 | S520-S522 PolarHBondContact O-N 3.1Å; S522-V524 PolarHBondContact O-N 2.74Å; S522-V524 PolarHBondContact OG-N 2.99Å; S522-A525 PolarHBondContact O-N 2.79Å; S522-Q526 PolarHBondContact O-N 2.93Å |
| 523 | P | 27.8 | Very low | 26.6 | Very low | 102 Ų | 102 | 113.8 Ų | 113.8 | 66% | 0.662 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -60 | -17.2 | 176.6 | -21.2 | 32 | 0 | 0 | 0 | 112.9 | N521 A527 | N521-P523 WeakPolarHBondContact O-CD 3.48Å; P523-A527 WeakPolarHBondContact O-CB 3.36Å; P523-A527 PolarHBondContact O-N 2.67Å |
| 524 | V | 27.4 | Very low | 26.7 | Very low | 100 Ų | 100 | 114.2 Ų | 114.2 | 61% | 0.606 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -73.2 | -36 | 176.5 | -173 | 0 | 0 | 0 | 0 | 111 | S522 A527 L528 | S522-V524 PolarHBondContact O-N 2.74Å; S522-V524 PolarHBondContact OG-N 2.99Å; V524-A527 PolarHBondContact O-N 2.77Å; V524-L528 PolarHBondContact O-N 2.7Å; V524-L528 VanDerWaalsContact O-N 3.12Å |
| 525 | A | 29 | Very low | 26.9 | Very low | 61 Ų | 61 | 114.5 Ų | 114.5 | 50% | 0.504 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -73.7 | -32.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | S522 L528 A529 | S522-A525 PolarHBondContact O-N 2.79Å; A525-L528 PolarHBondContact O-N 3.35Å; A525-A529 VanDerWaalsContact O-CB 3.25Å; A525-A529 WeakPolarHBondContact O-CB 3.25Å; A525-A529 PolarHBondContact O-N 2.71Å |
| 526 | Q | 26.9 | Very low | 27.3 | Very low | 110 Ų | 110 | 116.2 Ų | 116.2 | 51% | 0.514 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -71.3 | -31.9 | 171.2 | -90.8 | -173.7 | -1.7 | 0 | 0 | 113 | S522 L528 A529 N530 | S522-Q526 PolarHBondContact O-N 2.93Å; Q526-L528 VanDerWaalsContact C-N 3.34Å; Q526-A529 PolarHBondContact O-N 2.75Å; Q526-N530 WeakPolarHBondContact O-CB 3.43Å; Q526-N530 PolarHBondContact O-N 3.08Å |
| 527 | A | 27.6 | Very low | 27.5 | Very low | 68 Ų | 68 | 114.8 Ų | 114.8 | 56% | 0.562 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.3 | -35.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P523 V524 G531 | P523-A527 WeakPolarHBondContact O-CB 3.36Å; P523-A527 PolarHBondContact O-N 2.67Å; V524-A527 PolarHBondContact O-N 2.77Å; A527-G531 PolarHBondContact O-N 3.01Å |
| 528 | L | 30.9 | Very low | 27.8 | Very low | 138 Ų | 138 | 118 Ų | 118 | 72% | 0.723 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -76.4 | -36 | 174.2 | -78.2 | 159.3 | 0 | 0 | 0 | 112.6 | V524 A525 Q526 G531 | V524-L528 PolarHBondContact O-N 2.7Å; V524-L528 VanDerWaalsContact O-N 3.12Å; A525-L528 PolarHBondContact O-N 3.35Å; Q526-L528 VanDerWaalsContact C-N 3.34Å; L528-G531 PolarHBondContact O-N 3.17Å |
| 529 | A | 31.9 | Very low | 27.9 | Very low | 66 Ų | 66 | 122.2 Ų | 122.2 | 55% | 0.545 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -72 | -32.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A525 Q526 G531 | A525-A529 VanDerWaalsContact O-CB 3.25Å; A525-A529 WeakPolarHBondContact O-CB 3.25Å; A525-A529 PolarHBondContact O-N 2.71Å; Q526-A529 PolarHBondContact O-N 2.75Å; A529-G531 VanDerWaalsContact C-N 3.27Å; A529-G531 PolarHBondContact O-N 3.12Å |
| 530 | N | 28.8 | Very low | 28.2 | Very low | 146 Ų | 146 | 121.3 Ų | 121.3 | 78% | 0.781 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 4.7 | 174.7 | -75.3 | -17.9 | 0 | 0 | 0 | 113.5 | Q526 | Q526-N530 WeakPolarHBondContact O-CB 3.43Å; Q526-N530 PolarHBondContact O-N 3.08Å |
| 531 | G | 26.6 | Very low | 28.3 | Very low | 47 Ų | 47 | 125.6 Ų | 125.6 | 49% | 0.485 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -92.8 | -27.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | A527 L528 A529 | A527-G531 PolarHBondContact O-N 3.01Å; L528-G531 PolarHBondContact O-N 3.17Å; A529-G531 VanDerWaalsContact C-N 3.27Å; A529-G531 PolarHBondContact O-N 3.12Å |
| 532 | N | 28.5 | Very low | 28.2 | Very low | 148 Ų | 148 | 128 Ų | 128 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -154.4 | 21 | -166.2 | -110.8 | -1.1 | 0 | 0 | 0 | 119 | R534 | N532-R534 PolarHBondContact O-N 2.77Š|
| 533 | D | 30.1 | Very low | 28.3 | Very low | 148 Ų | 148 | 130.3 Ų | 130.3 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | | | trans | -83.6 | 26 | 174.1 | -92.9 | -16.5 | 0 | 0 | 0 | 114.7 | R535 | D533-R535 PolarHBondContact O-N 3.47Š|
| 534 | R | 24.7 | Very low | 28.2 | Very low | 235 Ų | 235 | 129.1 Ų | 129.1 | 89% | 0.887 | 72% | 0.721 | S | S | * | * | | | trans | -81.8 | 63.1 | 158.7 | -96.1 | -174.7 | 174.7 | 168 | -1.3 | 110 | N532 T536 | N532-R534 PolarHBondContact O-N 2.77Å; R534-T536 VanDerWaalsContact C-N 3.29Å; R534-T536 PolarHBondContact O-N 3.36Å |
| 535 | R | 26.4 | Very low | 28.3 | Very low | 224 Ų | 224 | 136 Ų | 136 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | | | trans | -79 | 88.3 | 150.1 | -75.6 | -175.5 | 176.9 | 176.5 | 0.7 | 106.7 | D533 S537 | D533-R535 PolarHBondContact O-N 3.47Å; R535-S537 PolarHBondContact O-N 3.5Å |
| 536 | T | 29.9 | Very low | 28.2 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | | | trans | -63.8 | 90.1 | 161.8 | 5.6 | 0 | 0 | 0 | 0 | 107.5 | R534 E538 | R534-T536 VanDerWaalsContact C-N 3.29Å; R534-T536 PolarHBondContact O-N 3.36Å; T536-E538 VanDerWaalsContact C-N 3.26Å; T536-E538 PolarHBondContact O-N 3.21Å |
| 537 | S | 27.2 | Very low | 28.4 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | trans | -80.2 | 77.1 | 164.4 | 167.7 | 0 | 0 | 0 | 0 | 108 | R535 | R535-S537 PolarHBondContact O-N 3.5Š|
| 538 | E | 28.8 | Very low | 28.6 | Very low | 171 Ų | 171 | 146.3 Ų | 146.3 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | | | trans | -132 | 93.7 | 160.2 | -70 | -171.8 | 176 | 0 | 0 | 106.5 | T536 P540 | T536-E538 VanDerWaalsContact C-N 3.26Å; T536-E538 PolarHBondContact O-N 3.21Å; E538-P540 VanDerWaalsContact O-CD 3.29Å; E538-P540 WeakPolarHBondContact O-CD 3.08Å |
| 539 | L | 25.7 | Very low | 28.2 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | trans | -73.1 | 118.2 | 155 | -92.8 | 115.9 | 0 | 0 | 0 | 106.8 | | |
| 540 | P | 30.8 | Very low | 28.1 | Very low | 110 Ų | 110 | 153.3 Ų | 153.3 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | | | trans | -77.2 | 114.2 | 146.5 | -1.7 | 21.3 | 0 | 0 | 0 | 106.6 | E538 E542 | E538-P540 VanDerWaalsContact O-CD 3.29Å; E538-P540 WeakPolarHBondContact O-CD 3.08Å; P540-E542 PolarHBondContact O-N 2.83Å |
| 541 | E | 28.9 | Very low | 27.9 | Very low | 191 Ų | 191 | 151.7 Ų | 151.7 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | | | trans | -57.8 | 102.5 | 155.9 | -68.8 | 179.5 | 134.9 | 0 | 0 | 107.9 | | |
| 542 | E | 28.8 | Very low | 27.9 | Very low | 172 Ų | 172 | 157.7 Ų | 157.7 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -141.1 | 102.7 | 160.2 | -131 | -179.5 | 172.4 | 0 | 0 | 111.1 | P540 | P540-E542 PolarHBondContact O-N 2.83Š|
| 543 | S | 27.8 | Very low | 27.9 | Very low | 104 Ų | 104 | 156 Ų | 156 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | trans | 23.1 | 125.4 | 145.6 | 62.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 544 | G | 25.3 | Very low | 27.7 | Very low | 77 Ų | 77 | 153.7 Ų | 153.7 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | | | trans | -53.5 | 136.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 545 | R | 29.6 | Very low | 27.8 | Very low | 245 Ų | 245 | 147.3 Ų | 147.3 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | | | trans | -135.2 | 100.8 | 142.8 | -73.3 | -166.3 | 176.4 | -172.2 | -0.7 | 108 | | |
| 546 | Q | 26.8 | Very low | 27.9 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | | | trans | -51.2 | 125.9 | 146.5 | -144 | 166.3 | -2 | 0 | 0 | 106.4 | | |
| 547 | D | 31.8 | Very low | 27.9 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | trans | 163.7 | 130.2 | 137.4 | -75.7 | -21.1 | 0 | 0 | 0 | 111.8 | | |
| 548 | D | 30.4 | Very low | 28 | Very low | 141 Ų | 141 | 150.3 Ų | 150.3 | 75% | 0.754 | 82% | 0.815 | S | S | * | * | | | trans | 73.5 | 91.3 | 146 | -58.2 | -18.6 | 0 | 0 | 0 | 120.7 | A550 | D548-A550 PolarHBondContact O-N 3.29Š|
| 549 | W | 24.2 | Very low | 28 | Very low | 268 Ų | 268 | 151.1 Ų | 151.1 | 100% | 1.015 | 82% | 0.819 | S | S | * | * | | | trans | -39.4 | 96.2 | 142.7 | -62.1 | 83.4 | 0 | 0 | 0 | 112.3 | | |
| 550 | A | 27.9 | Very low | 28.3 | Very low | 82 Ų | 82 | 152.7 Ų | 152.7 | 68% | 0.678 | 82% | 0.822 | S | S | * | * | | | trans | -137.6 | 98.1 | 164 | 0 | 0 | 0 | 0 | 0 | 110.5 | D548 H552 | D548-A550 PolarHBondContact O-N 3.29Å; A550-H552 PolarHBondContact O-N 2.95Å |
| 551 | S | 24.6 | Very low | 28.1 | Very low | 112 Ų | 112 | 156.9 Ų | 156.9 | 78% | 0.783 | 83% | 0.832 | S | S | * | * | | | trans | -45.5 | 112.6 | 162.3 | 156.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 552 | H | 28.6 | Very low | 28.1 | Very low | 174 Ų | 174 | 152.4 Ų | 152.4 | 81% | 0.806 | 83% | 0.827 | S | S | * | * | | | trans | -146.2 | 115.3 | 149.3 | -86.4 | -65 | 0 | 0 | 0 | 111.5 | A550 A554 | A550-H552 PolarHBondContact O-N 2.95Å; H552-A554 PolarHBondContact O-N 3.22Å |
| 553 | S | 27 | Very low | 28.2 | Very low | 111 Ų | 111 | 148.3 Ų | 148.3 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | | | trans | -27 | 116.4 | 157.4 | 52.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 554 | A | 26.8 | Very low | 28.2 | Very low | 100 Ų | 100 | 151.5 Ų | 151.5 | 83% | 0.826 | 83% | 0.832 | S | S | * | * | | | trans | -128.8 | 67.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | H552 | H552-A554 PolarHBondContact O-N 3.22Š|
| 555 | A | 26.3 | Very low | 28.3 | Very low | 101 Ų | 101 | 152 Ų | 152 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | | | trans | -93.5 | 73.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 556 | K | 28.6 | Very low | 28.3 | Very low | 188 Ų | 188 | 148 Ų | 148 | 82% | 0.817 | 83% | 0.825 | S | S | * | * | | | trans | -147 | 142.9 | 163.6 | -84.5 | -170.1 | 175.6 | 178.3 | 0 | 106.6 | | |
| 557 | D | 29.2 | Very low | 28.3 | Very low | 151 Ų | 151 | 149.5 Ų | 149.5 | 81% | 0.807 | 83% | 0.828 | S | S | * | * | | | trans | 108.7 | 34.6 | 169.6 | -53.3 | -13.6 | 0 | 0 | 0 | 118.1 | | |
| 558 | L | 30.1 | Very low | 28.1 | Very low | 184 Ų | 184 | 146.9 Ų | 146.9 | 96% | 0.963 | 82% | 0.821 | S | S | * | * | | | trans | -134.8 | 67.3 | 152.3 | -71.5 | 176.6 | 0 | 0 | 0 | 110.5 | | |
| 559 | Q | 28.3 | Very low | 28 | Very low | 187 Ų | 187 | 146.4 Ų | 146.4 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | | | trans | -138.3 | 66.3 | 172.2 | -165 | 179.3 | 3.7 | 0 | 0 | 109.7 | | |
| 560 | E | 31.9 | Very low | 28.2 | Very low | 194 Ų | 194 | 137.8 Ų | 137.8 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -155.9 | 21.7 | 168.4 | -134 | 172.2 | -169.8 | 0 | 0 | 117.4 | | |
| 561 | E | 27.6 | Very low | 28.3 | Very low | 199 Ų | 199 | 141 Ų | 141 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -134.6 | 34.4 | -177.2 | -144.7 | 170.5 | -175.9 | 0 | 0 | 115.9 | | |
| 562 | A | 29.7 | Very low | 28.5 | Very low | 96 Ų | 96 | 145.2 Ų | 145.2 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -141.6 | 15.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 563 | A | 30.1 | Very low | 28.4 | Very low | 86 Ų | 86 | 142 Ų | 142 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -84.9 | -13.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 564 | D | 28.6 | Very low | 28.4 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 92% | 0.92 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -102.4 | 8.1 | -170.4 | -84.7 | -23.3 | 0 | 0 | 0 | 116.4 | | |
| 565 | A | 27 | Very low | 28.4 | Very low | 86 Ų | 86 | 146 Ų | 146 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | | | trans | -101.5 | 25 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K567 | A565-K567 VanDerWaalsContact C-N 3.31Å; A565-K567 PolarHBondContact O-N 3.2Å |
| 566 | L | 28.1 | Very low | 28.4 | Very low | 163 Ų | 163 | 150.5 Ų | 150.5 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | | | trans | -90 | 57 | 171.7 | -75.8 | 170 | 0 | 0 | 0 | 112 | | |
| 567 | K | 28.7 | Very low | 28.5 | Very low | 209 Ų | 209 | 146.3 Ų | 146.3 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | | | trans | -140.9 | 57.9 | 162.8 | -78.8 | -171.9 | -178.7 | 169.6 | 0 | 111.1 | A565 | A565-K567 VanDerWaalsContact C-N 3.31Å; A565-K567 PolarHBondContact O-N 3.2Å |
| 568 | S | 26.5 | Very low | 28.4 | Very low | 81 Ų | 81 | 146.8 Ų | 146.8 | 57% | 0.566 | 82% | 0.819 | S | S | * | * | | | trans | -134.8 | 98.5 | 161.4 | 61.7 | 0 | 0 | 0 | 0 | 110.7 | S570 | S568-S570 VanDerWaalsContact C-N 3.26Å; S568-S570 PolarHBondContact O-N 3.48Å |
| 569 | S | 29.1 | Very low | 28.4 | Very low | 131 Ų | 131 | 149 Ų | 149 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | | | trans | -69.2 | 80.5 | 159.6 | 49.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 570 | S | 28.8 | Very low | 28.3 | Very low | 87 Ų | 87 | 151.5 Ų | 151.5 | 61% | 0.608 | 82% | 0.816 | S | S | * | * | | | trans | -154.5 | 10 | 170.5 | 65.8 | 0 | 0 | 0 | 0 | 115.7 | S568 | S568-S570 VanDerWaalsContact C-N 3.26Å; S568-S570 PolarHBondContact O-N 3.48Å |
| 571 | L | 28.7 | Very low | 28.2 | Very low | 148 Ų | 148 | 148 Ų | 148 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | | | trans | -109.9 | 45.6 | 179.6 | -76.8 | 170.8 | 0 | 0 | 0 | 113.3 | | |
| 572 | Q | 28.2 | Very low | 28.3 | Very low | 202 Ų | 202 | 148.3 Ų | 148.3 | 94% | 0.944 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -112.6 | 16.4 | 172.6 | -132.9 | 176.8 | 0.9 | 0 | 0 | 114.2 | | |
| 573 | S | 26.8 | Very low | 28.4 | Very low | 106 Ų | 106 | 148.3 Ų | 148.3 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -133.4 | 9 | 178 | 61.9 | 0 | 0 | 0 | 0 | 116.7 | | |
| 574 | S | 26.7 | Very low | 28.2 | Very low | 99 Ų | 99 | 150.5 Ų | 150.5 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -105.6 | 11.8 | -177.7 | -62.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 575 | Q | 27.7 | Very low | 28.2 | Very low | 197 Ų | 197 | 151.2 Ų | 151.2 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -97.8 | 6.3 | -177.3 | -131.3 | 178.6 | 12.8 | 0 | 0 | 116.1 | | |
| 576 | E | 26.9 | Very low | 28.3 | Very low | 195 Ų | 195 | 153.3 Ų | 153.3 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -113.6 | 0.5 | 179.4 | -81.7 | -171 | 147.7 | 0 | 0 | 116.7 | | |
| 577 | S | 30.1 | Very low | 28.4 | Very low | 99 Ų | 99 | 149.2 Ų | 149.2 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -99.3 | 2.8 | -172.8 | -160.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 578 | N | 27.3 | Very low | 28.3 | Very low | 162 Ų | 162 | 147.1 Ų | 147.1 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 16.1 | -174.8 | -83.9 | -4.8 | 0 | 0 | 0 | 115.9 | | |
| 579 | R | 29.2 | Very low | 28.4 | Very low | 231 Ų | 231 | 146.9 Ų | 146.9 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 1.7 | 177.1 | -135.9 | 179.3 | -140.2 | -130.2 | 3.1 | 115.3 | | |
| 580 | W | 26.6 | Very low | 28.3 | Very low | 239 Ų | 239 | 143.5 Ų | 143.5 | 91% | 0.905 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -134.8 | 59 | -171.7 | -82.4 | 61.7 | 0 | 0 | 0 | 112.9 | | |
| 581 | T | 31 | Very low | 28.2 | Very low | 121 Ų | 121 | 147 Ų | 147 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -143.9 | 5.2 | 163.7 | 41.3 | 0 | 0 | 0 | 0 | 114.9 | S583 | T581-S583 PolarHBondContact O-N 3.34Š|
| 582 | Q | 28 | Very low | 28.1 | Very low | 205 Ų | 205 | 146.3 Ų | 146.3 | 96% | 0.958 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 11.3 | -176.1 | -133.6 | 175.4 | 19.9 | 0 | 0 | 115.1 | | |
| 583 | S | 32.2 | Very low | 28.1 | Very low | 96 Ų | 96 | 140.3 Ų | 140.3 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 4.9 | -172.9 | 78.5 | 0 | 0 | 0 | 0 | 116.9 | T581 | T581-S583 PolarHBondContact O-N 3.34Š|
| 584 | N | 26.9 | Very low | 28 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -133.5 | 11.5 | -174 | -89.3 | -9.2 | 0 | 0 | 0 | 116.6 | | |
| 585 | Q | 28.9 | Very low | 28.1 | Very low | 187 Ų | 187 | 141 Ų | 141 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 2.9 | 176 | -80.7 | -164.5 | -18.8 | 0 | 0 | 115 | | |
| 586 | T | 29 | Very low | 27.8 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 80% | 0.798 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -4.2 | 179.9 | 36.7 | 0 | 0 | 0 | 0 | 115 | | |
| 587 | S | 29.5 | Very low | 27.8 | Very low | 77 Ų | 77 | 138.3 Ų | 138.3 | 54% | 0.538 | 73% | 0.73 | S | S | . | * | S | Bend | trans | -106.9 | -13.5 | -174.6 | 47.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 588 | E | 27 | Very low | 27.7 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -88.2 | -33.6 | -175.9 | -145.2 | 170.2 | -162.7 | 0 | 0 | 112.8 | A590 F591 | E588-A590 VanDerWaalsContact C-N 3.32Å; E588-A590 PolarHBondContact O-N 3.48Å; E588-F591 PolarHBondContact O-N 3.34Å |
| 589 | A | 27.5 | Very low | 27.5 | Very low | 76 Ų | 76 | 141.5 Ų | 141.5 | 63% | 0.628 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -68.6 | -29.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F591 M592 A593 | A589-F591 VanDerWaalsContact C-N 3.31Å; A589-F591 PolarHBondContact O-N 3.43Å; A589-M592 PolarHBondContact O-N 2.92Å; A589-A593 PolarHBondContact O-N 3.48Å |
| 590 | A | 27.5 | Very low | 27.6 | Very low | 60 Ų | 60 | 134.3 Ų | 134.3 | 50% | 0.496 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -68.7 | -29.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E588 S594 | E588-A590 VanDerWaalsContact C-N 3.32Å; E588-A590 PolarHBondContact O-N 3.48Å; A590-S594 PolarHBondContact O-OG 3.22Å; A590-S594 VanDerWaalsContact O-OG 3.06Å |
| 591 | F | 26.7 | Very low | 27.7 | Very low | 161 Ų | 161 | 130 Ų | 130 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -72.7 | -37 | 176 | -101 | -82.8 | 0 | 0 | 0 | 112.1 | E588 A589 A593 S594 | E588-F591 PolarHBondContact O-N 3.34Å; A589-F591 VanDerWaalsContact C-N 3.31Å; A589-F591 PolarHBondContact O-N 3.43Å; F591-A593 VanDerWaalsContact C-N 3.29Å; F591-A593 PolarHBondContact O-N 3.3Å; F591-S594 PolarHBondContact O-N 3.5Å |
| 592 | M | 27.4 | Very low | 27.6 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 66% | 0.66 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -70.4 | -24.4 | 177.4 | -65.3 | -157.5 | 74.4 | 0 | 0 | 113.4 | A589 S594 Y596 | A589-M592 PolarHBondContact O-N 2.92Å; M592-S594 VanDerWaalsContact C-N 3.31Å; M592-Y596 WeakPolarHBondContact O-CD2 3.25Å |
| 593 | A | 27.5 | Very low | 27.7 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 62% | 0.62 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -77 | -15.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A589 F591 | A589-A593 PolarHBondContact O-N 3.48Å; F591-A593 VanDerWaalsContact C-N 3.29Å; F591-A593 PolarHBondContact O-N 3.3Å |
| 594 | S | 25.4 | Very low | 27.4 | Very low | 75 Ų | 75 | 133.5 Ų | 133.5 | 52% | 0.524 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -82.9 | -20.5 | -173.4 | -60.1 | 0 | 0 | 0 | 0 | 114 | A590 F591 M592 | A590-S594 PolarHBondContact O-OG 3.22Å; A590-S594 VanDerWaalsContact O-OG 3.06Å; F591-S594 PolarHBondContact O-N 3.5Å; M592-S594 VanDerWaalsContact C-N 3.31Å |
| 595 | D | 27.3 | Very low | 27.3 | Very low | 146 Ų | 146 | 130.8 Ų | 130.8 | 78% | 0.781 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -104.9 | -3.6 | -175.3 | -72.7 | -18.1 | 0 | 0 | 0 | 114.5 | L597 | D595-L597 VanDerWaalsContact C-N 3.29Å; D595-L597 PolarHBondContact O-N 3.29Å |
| 596 | Y | 23 | Very low | 27.2 | Very low | 179 Ų | 179 | 126.2 Ų | 126.2 | 70% | 0.702 | 68% | 0.68 | S | S | * | * | | | trans | -92.8 | 32.2 | 172.5 | -75.8 | -83.2 | 0 | 0 | 0 | 113.2 | M592 V598 | M592-Y596 WeakPolarHBondContact O-CD2 3.25Å; Y596-V598 PolarHBondContact O-N 3.41Å |
| 597 | L | 27 | Very low | 27.1 | Very low | 156 Ų | 156 | 127.8 Ų | 127.8 | 82% | 0.817 | 68% | 0.682 | S | S | * | * | | | trans | -75.7 | 72.7 | 158.2 | -88.4 | 156.6 | 0 | 0 | 0 | 108.2 | D595 R599 | D595-L597 VanDerWaalsContact C-N 3.29Å; D595-L597 PolarHBondContact O-N 3.29Å; L597-R599 PolarHBondContact O-N 2.97Å |
| 598 | V | 26.3 | Very low | 27 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 60% | 0.6 | 69% | 0.692 | S | S | * | * | | | trans | -55.5 | 121.5 | 165.5 | 177.8 | 0 | 0 | 0 | 0 | 106.4 | Y596 T600 | Y596-V598 PolarHBondContact O-N 3.41Å; V598-T600 HydrophobicContact CG1-CG2 4.02Å; V598-T600 PolarHBondContact O-N 2.83Å |
| 599 | R | 24.6 | Very low | 27 | Very low | 229 Ų | 229 | 130.4 Ų | 130.4 | 86% | 0.864 | 69% | 0.688 | S | S | * | * | | | trans | -54 | 85.5 | 166 | -76.9 | 170.8 | 142.5 | 145.5 | -6.1 | 108.9 | L597 | L597-R599 PolarHBondContact O-N 2.97Š|
| 600 | T | 30.1 | Very low | 26.9 | Very low | 80 Ų | 80 | 133.9 Ų | 133.9 | 49% | 0.491 | 70% | 0.696 | S | S | . | * | | | trans | -97.7 | 95.6 | 165.1 | 49.5 | 0 | 0 | 0 | 0 | 106 | V598 H602 | V598-T600 HydrophobicContact CG1-CG2 4.02Å; V598-T600 PolarHBondContact O-N 2.83Å; T600-H602 PolarHBondContact O-N 2.94Å |
| 601 | D | 29.2 | Very low | 26.8 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 79% | 0.786 | 70% | 0.704 | S | S | * | * | | | trans | -66.5 | 49.4 | 166.9 | -66.9 | -38.9 | 0 | 0 | 0 | 110.3 | | |
| 602 | H | 29.9 | Very low | 26.8 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 63% | 0.634 | 71% | 0.71 | S | S | * | * | | | trans | -119.8 | 107.4 | -179.4 | -68.6 | -25.7 | 0 | 0 | 0 | 107.1 | T600 Y604 | T600-H602 PolarHBondContact O-N 2.94Å; H602-Y604 HydrophobicContact CB-CE2 4.45Å; H602-Y604 WeakPolarHBondContact O-CD2 3.11Å; H602-Y604 PolarHBondContact O-N 2.79Å |
| 603 | D | 29.8 | Very low | 26.7 | Very low | 165 Ų | 165 | 135 Ų | 135 | 88% | 0.882 | 71% | 0.71 | S | S | * | * | | | trans | -48.6 | 88.6 | 160.7 | -64 | -51.5 | 0 | 0 | 0 | 108.5 | A605 | D603-A605 PolarHBondContact O-N 2.94Š|
| 604 | Y | 25.7 | Very low | 26.6 | Very low | 194 Ų | 194 | 140.4 Ų | 140.4 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | | | trans | -70.9 | 82.1 | 161.6 | -82 | -84 | 0 | 0 | 0 | 106.2 | H602 P606 | H602-Y604 HydrophobicContact CB-CE2 4.45Å; H602-Y604 WeakPolarHBondContact O-CD2 3.11Å; H602-Y604 PolarHBondContact O-N 2.79Å; Y604-P606 VanDerWaalsContact O-CD 3.32Å; Y604-P606 WeakPolarHBondContact O-CD 3.36Å |
| 605 | A | 24 | Very low | 26.5 | Very low | 75 Ų | 75 | 142 Ų | 142 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | | | trans | -57.5 | 117.9 | 149.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | D603 L607 | D603-A605 PolarHBondContact O-N 2.94Å; A605-L607 PolarHBondContact O-N 2.77Å |
| 606 | P | 27.3 | Very low | 26.3 | Very low | 92 Ų | 92 | 139.9 Ų | 139.9 | 60% | 0.597 | 74% | 0.737 | S | S | * | * | | | trans | -60.3 | 110 | 176.5 | 23.4 | -30.5 | 0 | 0 | 0 | 107.2 | Y604 F608 | Y604-P606 VanDerWaalsContact O-CD 3.32Å; Y604-P606 WeakPolarHBondContact O-CD 3.36Å; P606-F608 HydrophobicContact CB-CD2 3.81Å; P606-F608 HydrophobicContact CB-CE2 3.53Å; P606-F608 HydrophobicContact CB-CZ 4.14Å; P606-F608 HydrophobicContact CG-CD2 3.94Å; P606-F608 HydrophobicContact CG-CE2 3.53Å; P606-F608 HydrophobicContact CG-CZ 4.44Å; P606-F608 PolarHBondContact O-N 2.77Å |
| 607 | L | 26.3 | Very low | 26.3 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | | | trans | -65.5 | 79.7 | 163.9 | -70.8 | 168.3 | 0 | 0 | 0 | 106.2 | A605 D609 | A605-L607 PolarHBondContact O-N 2.77Å; L607-D609 PolarHBondContact O-N 2.66Å |
| 608 | F | 27 | Very low | 26.2 | Very low | 168 Ų | 168 | 139 Ų | 139 | 74% | 0.737 | 74% | 0.744 | S | S | * | * | | | trans | -68.4 | 98.7 | 156.3 | -68.4 | -74 | 0 | 0 | 0 | 104.5 | P606 D610 | P606-F608 HydrophobicContact CB-CD2 3.81Å; P606-F608 HydrophobicContact CB-CE2 3.53Å; P606-F608 HydrophobicContact CB-CZ 4.14Å; P606-F608 HydrophobicContact CG-CD2 3.94Å; P606-F608 HydrophobicContact CG-CE2 3.53Å; P606-F608 HydrophobicContact CG-CZ 4.44Å; P606-F608 PolarHBondContact O-N 2.77Å; F608-D610 PolarHBondContact O-N 3.05Å |
| 609 | D | 27.6 | Very low | 26.1 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | | | trans | -53.7 | 111 | 165.2 | -90.2 | -44.4 | 0 | 0 | 0 | 106.7 | L607 S611 | L607-D609 PolarHBondContact O-N 2.66Å; D609-S611 PolarHBondContact O-N 3Å; D609-S611 PolarHBondContact O-OG 2.9Å |
| 610 | D | 25.3 | Very low | 26.3 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 17.3 | 170.8 | -86.8 | -30.1 | 0 | 0 | 0 | 113 | F608 L612 | F608-D610 PolarHBondContact O-N 3.05Å; D610-L612 PolarHBondContact O-N 3.33Å |
| 611 | S | 26.6 | Very low | 25.9 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -5.6 | 175.9 | 62.4 | 0 | 0 | 0 | 0 | 113.9 | D609 N613 | D609-S611 PolarHBondContact O-N 3Å; D609-S611 PolarHBondContact O-OG 2.9Å; S611-N613 VanDerWaalsContact C-N 3.26Å; S611-N613 PolarHBondContact O-N 3.08Å |
| 612 | L | 26.2 | Very low | 25.8 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | | | trans | -88.2 | 44.3 | 173.9 | -77.4 | 169.6 | 0 | 0 | 0 | 113.2 | D610 | D610-L612 PolarHBondContact O-N 3.33Š|
| 613 | N | 24.8 | Very low | 25.5 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 65% | 0.652 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -138.1 | 132.6 | 162.7 | -84.1 | -48.4 | 0 | 0 | 0 | 109.3 | S611 | S611-N613 VanDerWaalsContact C-N 3.26Å; S611-N613 PolarHBondContact O-N 3.08Å |
| 614 | H | 25.1 | Very low | 25.3 | Very low | 190 Ų | 190 | 138.5 Ų | 138.5 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | | | trans | 95.6 | 42.5 | 176.3 | -43.4 | -57.5 | 0 | 0 | 0 | 118.6 | S616 | H614-S616 PolarHBondContact O-N 2.86Š|
| 615 | A | 23.5 | Very low | 25.1 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | | | trans | -93.8 | 83.6 | 151.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | A617 | A615-A617 PolarHBondContact O-N 3.05Š|
| 616 | S | 22.5 | Very low | 25.1 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | trans | -57 | 130.5 | 166.6 | -178 | 0 | 0 | 0 | 0 | 109.8 | H614 R618 | H614-S616 PolarHBondContact O-N 2.86Å; S616-R618 VanDerWaalsContact C-N 3.34Å; S616-R618 PolarHBondContact O-N 3.17Å |
| 617 | A | 24.3 | Very low | 24.9 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | | | trans | -70.4 | 87.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | A615 | A615-A617 PolarHBondContact O-N 3.05Š|
| 618 | R | 24.2 | Very low | 25 | Very low | 210 Ų | 210 | 137 Ų | 137 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | | | trans | -135.8 | 111.8 | 166.7 | -101.1 | -172.7 | 170.5 | 136.4 | -0.3 | 111.1 | S616 | S616-R618 VanDerWaalsContact C-N 3.34Å; S616-R618 PolarHBondContact O-N 3.17Å |
| 619 | D | 25.2 | Very low | 25 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | | | trans | 59.1 | 116.2 | 134.6 | -76.6 | -33.9 | 0 | 0 | 0 | 120.5 | | |
| 620 | V | 27 | Very low | 25.1 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | | | trans | 75.5 | 93.5 | 133.7 | -172.6 | 0 | 0 | 0 | 0 | 116.7 | E622 | V620-E622 PolarHBondContact O-N 3.26Š|
| 621 | G | 23.2 | Very low | 25.4 | Very low | 80 Ų | 80 | 133.9 Ų | 133.9 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | | 65.2 | 44.7 | 114.7 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 622 | E | 25.8 | Very low | 25.6 | Very low | 188 Ų | 188 | 134.3 Ų | 134.3 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -94.1 | 123.1 | 163 | -74 | -169 | 156.8 | 0 | 0 | 111 | V620 | V620-E622 PolarHBondContact O-N 3.26Š|
| 623 | K | 23.9 | Very low | 25.8 | Very low | 186 Ų | 186 | 134.9 Ų | 134.9 | 81% | 0.809 | 79% | 0.789 | S | S | * | * | | | trans | -55.7 | 150.7 | 178.6 | -75.6 | 170 | 176 | 171.9 | 0 | 110.9 | C625 | K623-C625 PolarHBondContact O-N 2.94Š|
| 624 | P | 25.6 | Very low | 26.1 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | | | trans | -58.9 | 109.3 | 176.4 | 25.1 | -33 | 0 | 0 | 0 | 109.6 | G626 | P624-G626 PolarHBondContact O-N 3Š|
| 625 | C | 22.7 | Very low | 26.2 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | | | trans | -57.6 | 121.7 | 156.1 | -65.1 | 0 | 0 | 0 | 0 | 105.6 | K623 | K623-C625 PolarHBondContact O-N 2.94Š|
| 626 | G | 23.2 | Very low | 26.2 | Very low | 58 Ų | 58 | 133.5 Ų | 133.5 | 60% | 0.598 | 78% | 0.775 | S | S | * | * | | | | 91.4 | 96.1 | 66.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | P624 L628 | P624-G626 PolarHBondContact O-N 3Å; G626-L628 PolarHBondContact O-N 2.94Å; G626-L628 VanDerWaalsContact O-N 3.1Å |
| 627 | T | 22.8 | Very low | 26.6 | Very low | 146 Ų | 146 | 134 Ų | 134 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | | | trans | -40.2 | 105.6 | 176.2 | 42.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 628 | L | 28.6 | Very low | 26.8 | Very low | 160 Ų | 160 | 135.4 Ų | 135.4 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | | | trans | -89.7 | 104.8 | 155.2 | -84.2 | 119.5 | 0 | 0 | 0 | 106.4 | G626 | G626-L628 PolarHBondContact O-N 2.94Å; G626-L628 VanDerWaalsContact O-N 3.1Å |
| 629 | S | 27.3 | Very low | 26.8 | Very low | 80 Ų | 80 | 127.6 Ų | 127.6 | 56% | 0.559 | 75% | 0.745 | S | S | * | * | | | | 57.7 | 97.5 | 77.6 | 74.7 | 0 | 0 | 0 | 0 | 113.4 | T631 | S629-T631 PolarHBondContact O-N 3.28Š|
| 630 | D | 30.4 | Very low | 26.9 | Very low | 169 Ų | 169 | 128.2 Ų | 128.2 | 90% | 0.904 | 74% | 0.741 | S | S | * | * | | | trans | 56.2 | 42.5 | 143.1 | -64.4 | -14.7 | 0 | 0 | 0 | 120.8 | | |
| 631 | T | 31.4 | Very low | 27 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | | | trans | -111.5 | 110.3 | 151.6 | 56.9 | 0 | 0 | 0 | 0 | 109.3 | S629 Q633 | S629-T631 PolarHBondContact O-N 3.28Å; T631-Q633 PolarHBondContact O-N 2.99Å |
| 632 | T | 30.9 | Very low | 27.3 | Very low | 106 Ų | 106 | 124.6 Ų | 124.6 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | | | trans | -37.8 | 116.1 | 177.6 | 43.7 | 0 | 0 | 0 | 0 | 111.9 | E634 | T632-E634 PolarHBondContact O-N 2.92Š|
| 633 | Q | 29.9 | Very low | 27.4 | Very low | 172 Ų | 172 | 121.6 Ų | 121.6 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 8.4 | -174.7 | -147.3 | 171.1 | 13.2 | 0 | 0 | 114.4 | T631 | T631-Q633 PolarHBondContact O-N 2.99Š|
| 634 | E | 29.9 | Very low | 27.6 | Very low | 150 Ų | 150 | 119.1 Ų | 119.1 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -31.5 | -173 | -66.6 | -176.2 | 158.8 | 0 | 0 | 112.4 | T632 C636 L637 | T632-E634 PolarHBondContact O-N 2.92Å; E634-C636 VanDerWaalsContact C-N 3.28Å; E634-C636 PolarHBondContact O-N 3.4Å; E634-L637 PolarHBondContact O-N 2.79Å |
| 635 | D | 28.1 | Very low | 27.8 | Very low | 137 Ų | 137 | 116.9 Ų | 116.9 | 73% | 0.733 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -73.6 | -18.8 | -178.6 | -71.1 | -21.2 | 0 | 0 | 0 | 113.5 | | |
| 636 | C | 24 | Very low | 28.3 | Very low | 104 Ų | 104 | 116.9 Ų | 116.9 | 70% | 0.703 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -89.2 | -9 | 179.9 | -100.4 | 0 | 0 | 0 | 0 | 114.1 | E634 | E634-C636 VanDerWaalsContact C-N 3.28Å; E634-C636 PolarHBondContact O-N 3.4Å |
| 637 | L | 29.6 | Very low | 28.8 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 59% | 0.592 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -85.1 | -29.7 | -179.4 | -76 | 170 | 0 | 0 | 0 | 112.9 | E634 G639 K640 A641 | E634-L637 PolarHBondContact O-N 2.79Å; L637-G639 VanDerWaalsContact C-N 3.33Å; L637-G639 PolarHBondContact O-N 3.33Å; L637-K640 PolarHBondContact O-N 3.13Å; L637-A641 PolarHBondContact O-N 2.7Å |
| 638 | I | 28.8 | Very low | 29.3 | Very low | 134 Ų | 134 | 124.8 Ų | 124.8 | 69% | 0.687 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -65.8 | -38.3 | -179.5 | -63.3 | 172.7 | 0 | 0 | 0 | 110.6 | A642 | I638-A642 PolarHBondContact O-N 3.07Å |
| 639 | G | 25.1 | Very low | 29.6 | Very low | 46 Ų | 46 | 119.7 Ų | 119.7 | 47% | 0.474 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -68.4 | -34.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L637 | L637-G639 VanDerWaalsContact C-N 3.33Å; L637-G639 PolarHBondContact O-N 3.33Å |
| 640 | K | 26.9 | Very low | 29.9 | Very low | 152 Ų | 152 | 121.9 Ų | 121.9 | 66% | 0.661 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -77.2 | -33.9 | 178.7 | -92.8 | -178.5 | 176.7 | 173.4 | 0 | 113.3 | L637 L643 N644 | L637-K640 PolarHBondContact O-N 3.13Å; K640-L643 PolarHBondContact O-N 2.79Å; K640-N644 PolarHBondContact O-N 3.01Å |
| 641 | A | 28.2 | Very low | 30.6 | Very low | 68 Ų | 68 | 116.6 Ų | 116.6 | 56% | 0.562 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.1 | -41.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L637 L643 N644 | L637-A641 PolarHBondContact O-N 2.7Å; A641-L643 VanDerWaalsContact C-N 3.28Å; A641-L643 PolarHBondContact O-N 2.84Å; A641-N644 PolarHBondContact O-N 2.82Å |
| 642 | A | 29.3 | Very low | 31.5 | Very low | 61 Ų | 61 | 120 Ų | 120 | 50% | 0.504 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -62.6 | -34.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I638 | I638-A642 PolarHBondContact O-N 3.07Å |
| 643 | L | 28.5 | Very low | 32.7 | Very low | 125 Ų | 125 | 121.4 Ų | 121.4 | 65% | 0.654 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -81.2 | -22 | 179.4 | -80.9 | 166.1 | 0 | 0 | 0 | 114.5 | K640 A641 A645 | K640-L643 PolarHBondContact O-N 2.79Å; A641-L643 VanDerWaalsContact C-N 3.28Å; A641-L643 PolarHBondContact O-N 2.84Å; L643-A645 VanDerWaalsContact C-N 3.29Å; L643-A645 PolarHBondContact O-N 3.44Å |
| 644 | N | 28 | Very low | 33.3 | Very low | 134 Ų | 134 | 115.5 Ų | 115.5 | 72% | 0.717 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -78.1 | -12.9 | 176.1 | -96.4 | -7.8 | 0 | 0 | 0 | 113.5 | K640 A641 F646 | K640-N644 PolarHBondContact O-N 3.01Å; A641-N644 PolarHBondContact O-N 2.82Å; N644-F646 VanDerWaalsContact C-N 3.26Å |
| 645 | A | 30.1 | Very low | 33.7 | Very low | 82 Ų | 82 | 114.2 Ų | 114.2 | 68% | 0.678 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -10.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L643 E647 | L643-A645 VanDerWaalsContact C-N 3.29Å; L643-A645 PolarHBondContact O-N 3.44Å; A645-E647 PolarHBondContact O-N 2.91Å |
| 646 | F | 32.3 | Very low | 34 | Very low | 128 Ų | 128 | 114.7 Ų | 114.7 | 56% | 0.561 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -85.5 | 94.3 | 172.6 | -68.7 | -80.9 | 0 | 0 | 0 | 109 | N644 R648 | N644-F646 VanDerWaalsContact C-N 3.26Å; F646-R648 PolarHBondContact O-N 3.28Å |
| 647 | E | 34.1 | Very low | 34.5 | Very low | 185 Ų | 185 | 113 Ų | 113 | 86% | 0.864 | 60% | 0.603 | S | S | * | * | | | trans | -49.5 | 113.6 | 166.5 | -82 | -173.1 | 148 | 0 | 0 | 108.7 | A645 S649 | A645-E647 PolarHBondContact O-N 2.91Å; E647-S649 PolarHBondContact O-N 3.39Å |
| 648 | R | 34.8 | Very low | 34.6 | Very low | 185 Ų | 185 | 114.8 Ų | 114.8 | 70% | 0.698 | 61% | 0.612 | S | S | * | * | | | trans | -69.4 | 94.7 | 178.9 | -64.9 | 179.3 | -176.9 | 178.5 | 0.4 | 108.5 | F646 Y650 | F646-R648 PolarHBondContact O-N 3.28Å; R648-Y650 HydrophobicContact CB-CE2 3.87Å; R648-Y650 WeakPolarHBondContact O-CD2 3.45Å |
| 649 | S | 33.8 | Very low | 34.7 | Very low | 53 Ų | 53 | 114.7 Ų | 114.7 | 37% | 0.371 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -76.4 | 124.2 | 167 | 33.4 | 0 | 0 | 0 | 0 | 109.3 | E647 T657 | E647-S649 PolarHBondContact O-N 3.39Å; S649-T657 PolarHBondContact O-N 2.85Å; S649-T657 PolarHBondContact O-OG1 2.94Å; S649-T657 PolarHBondContact OG-O 3.13Å |
| 650 | Y | 33.1 | Very low | 34.9 | Very low | 126 Ų | 126 | 117.6 Ų | 117.6 | 49% | 0.494 | 62% | 0.621 | S | S | . | * | B | Isolated β-bridge | trans | -102.4 | 139.1 | 171.6 | -64.9 | -93.3 | 0 | 0 | 0 | 108 | R648 Q656 | R648-Y650 HydrophobicContact CB-CE2 3.87Å; R648-Y650 WeakPolarHBondContact O-CD2 3.45Å; Y650-Q656 HydrophobicContact CD1-CG 4.3Å; Y650-Q656 HydrophobicContact CE1-CG 3.96Å |
| 651 | D | 46.6 | Very low | 34.9 | Very low | 58 Ų | 58 | 115.5 Ų | 115.5 | 31% | 0.31 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 173 | 167.3 | 74.6 | 9.7 | 0 | 0 | 0 | 111.2 | D653 G654 H655 T657 | D651-D653 PolarHBondContact O-N 3.1Å; D651-D653 VanDerWaalsContact OD1-C 3.27Å; D651-D653 WeakPolarHBondContact OD1-CA 3.39Å; D651-D653 PolarHBondContact OD1-N 3.31Å; D651-G654 PolarHBondContact O-N 3.45Å; D651-G654 VanDerWaalsContact O-N 3.13Å; D651-G654 PolarHBondContact OD1-N 3.22Å; D651-H655 PolarHBondContact N-O 2.76Å; D651-H655 PolarHBondContact OD1-N 3.26Å; D651-H655 WeakPolarHBondContact OD2-CB 3.35Å; D651-H655 IonicContact OD2-CD2 3.87Å; D651-T657 HydrophobicContact CB-CG2 4.24Å |
| 652 | Q | 49.5 | Very low | 34.8 | Very low | 202 Ų | 202 | 117.5 Ų | 117.5 | 94% | 0.944 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -15.9 | 179.6 | -69 | -171.6 | -1.9 | 0 | 0 | 113.6 | | |
| 653 | D | 56.8 | Low | 34.6 | Very low | 135 Ų | 135 | 118.9 Ų | 118.9 | 72% | 0.722 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 0.2 | 179.4 | -65.4 | -38.6 | 0 | 0 | 0 | 112 | D651 | D651-D653 PolarHBondContact O-N 3.1Å; D651-D653 VanDerWaalsContact OD1-C 3.27Å; D651-D653 WeakPolarHBondContact OD1-CA 3.39Å; D651-D653 PolarHBondContact OD1-N 3.31Å |
| 654 | G | 41.6 | Very low | 34.5 | Very low | 48 Ų | 48 | 120.3 Ų | 120.3 | 50% | 0.495 | 65% | 0.65 | S | S | . | * | S | Bend | trans | 83.2 | 11.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D651 | D651-G654 PolarHBondContact O-N 3.45Å; D651-G654 VanDerWaalsContact O-N 3.13Å; D651-G654 PolarHBondContact OD1-N 3.22Å |
| 655 | H | 38.3 | Very low | 34.3 | Very low | 123 Ų | 123 | 121.3 Ų | 121.3 | 57% | 0.569 | 65% | 0.654 | S | S | * | * | | | trans | -85.6 | 144.5 | 173.5 | -57.8 | -64.5 | 0 | 0 | 0 | 111.3 | D651 | D651-H655 PolarHBondContact N-O 2.76Å; D651-H655 PolarHBondContact OD1-N 3.26Å; D651-H655 WeakPolarHBondContact OD2-CB 3.35Å; D651-H655 IonicContact OD2-CD2 3.87Å |
| 656 | Q | 34 | Very low | 34.2 | Very low | 146 Ų | 146 | 122.8 Ų | 122.8 | 68% | 0.682 | 66% | 0.657 | S | S | * | * | B | Isolated β-bridge | trans | -76.1 | 124.3 | 179.9 | -72.5 | 176 | -1.9 | 0 | 0 | 110 | Y650 | Y650-Q656 HydrophobicContact CD1-CG 4.3Å; Y650-Q656 HydrophobicContact CE1-CG 3.96Å |
| 657 | T | 34.4 | Very low | 34 | Very low | 68 Ų | 68 | 125.2 Ų | 125.2 | 42% | 0.417 | 67% | 0.67 | S | S | . | * | | | trans | -110.5 | 119.1 | 171.4 | 50.5 | 0 | 0 | 0 | 0 | 109.1 | S649 D651 | S649-T657 PolarHBondContact O-N 2.85Å; S649-T657 PolarHBondContact O-OG1 2.94Å; S649-T657 PolarHBondContact OG-O 3.13Å; D651-T657 HydrophobicContact CB-CG2 4.24Å |
| 658 | L | 31.5 | Very low | 33.7 | Very low | 151 Ų | 151 | 125.7 Ų | 125.7 | 79% | 0.791 | 67% | 0.672 | S | S | * | * | | | trans | -84.7 | 109.2 | 172 | -89.7 | 154.9 | 0 | 0 | 0 | 108.8 | V660 | L658-V660 HydrophobicContact CB-CG2 4.41Å; L658-V660 PolarHBondContact O-N 2.92Å |
| 659 | D | 31.6 | Very low | 33.4 | Very low | 133 Ų | 133 | 120.7 Ų | 120.7 | 71% | 0.711 | 66% | 0.662 | S | S | * | * | | | trans | -90.1 | 91.6 | 175 | -140.3 | -6.8 | 0 | 0 | 0 | 108.8 | S661 | D659-S661 PolarHBondContact O-N 3.42Š|
| 660 | V | 29.2 | Very low | 33.3 | Very low | 106 Ų | 106 | 121.7 Ų | 121.7 | 64% | 0.642 | 67% | 0.669 | S | S | * | * | | | trans | -87.7 | 97.4 | -177.6 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | L658 V662 | L658-V660 HydrophobicContact CB-CG2 4.41Å; L658-V660 PolarHBondContact O-N 2.92Å; V660-V662 HydrophobicContact CG1-CG2 3.98Å; V660-V662 PolarHBondContact O-N 3.18Å |
| 661 | S | 27.5 | Very low | 33.4 | Very low | 108 Ų | 108 | 120.5 Ų | 120.5 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | | | trans | -85.5 | 96.1 | 172.4 | -58.5 | 0 | 0 | 0 | 0 | 110.2 | D659 A663 | D659-S661 PolarHBondContact O-N 3.42Å; S661-A663 PolarHBondContact O-N 3.32Å |
| 662 | V | 26.1 | Very low | 32.8 | Very low | 111 Ų | 111 | 122.7 Ų | 122.7 | 67% | 0.673 | 70% | 0.699 | S | S | * | * | | | trans | -80.5 | 100.3 | 171.4 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | V660 L664 | V660-V662 HydrophobicContact CG1-CG2 3.98Å; V660-V662 PolarHBondContact O-N 3.18Å; V662-L664 HydrophobicContact CG1-CD2 4.35Å; V662-L664 HydrophobicContact CG1-CG 4.42Å; V662-L664 PolarHBondContact O-N 2.85Å |
| 663 | A | 25.3 | Very low | 32.1 | Very low | 89 Ų | 89 | 118.4 Ų | 118.4 | 74% | 0.736 | 68% | 0.679 | S | S | * | * | | | trans | -72.3 | 96.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | S661 L665 | S661-A663 PolarHBondContact O-N 3.32Å; A663-L665 VanDerWaalsContact C-N 3.34Å; A663-L665 PolarHBondContact O-N 2.87Å |
| 664 | L | 25 | Very low | 30.9 | Very low | 156 Ų | 156 | 121.9 Ų | 121.9 | 82% | 0.817 | 68% | 0.682 | S | S | * | * | | | trans | -64.6 | 97.9 | 168.1 | -70.9 | 168.2 | 0 | 0 | 0 | 107.9 | V662 | V662-L664 HydrophobicContact CG1-CD2 4.35Å; V662-L664 HydrophobicContact CG1-CG 4.42Å; V662-L664 PolarHBondContact O-N 2.85Å |
| 665 | L | 25.2 | Very low | 30.9 | Very low | 154 Ų | 154 | 128.2 Ų | 128.2 | 81% | 0.806 | 70% | 0.699 | S | S | * | * | | | trans | -56.2 | 128.6 | 169.3 | -84.1 | 158.7 | 0 | 0 | 0 | 107.9 | A663 Q667 | A663-L665 VanDerWaalsContact C-N 3.34Å; A663-L665 PolarHBondContact O-N 2.87Å; L665-Q667 PolarHBondContact O-N 3.05Å |
| 666 | P | 27.7 | Very low | 30.9 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 74% | 0.74 | 71% | 0.709 | S | S | * | * | | | trans | -60.9 | 109.3 | 173.9 | 22.5 | -29.4 | 0 | 0 | 0 | 107.6 | Q668 | P666-Q668 PolarHBondContact O-N 3.45Å; P666-Q668 VanDerWaalsContact O-N 3.08Å |
| 667 | Q | 27.4 | Very low | 31.1 | Very low | 178 Ų | 178 | 128.2 Ų | 128.2 | 83% | 0.832 | 70% | 0.703 | S | S | * | * | | | trans | -48.1 | 121.7 | 170.7 | -83.6 | -178.1 | -22.2 | 0 | 0 | 107.4 | L665 V669 | L665-Q667 PolarHBondContact O-N 3.05Å; Q667-V669 WeakPolarHBondContact O-CG2 3.29Å; Q667-V669 PolarHBondContact O-N 2.96Å |
| 668 | Q | 29.3 | Very low | 31.2 | Very low | 196 Ų | 196 | 133.8 Ų | 133.8 | 92% | 0.916 | 73% | 0.725 | S | S | * | * | | | trans | -66.7 | 87.8 | 172.8 | -74 | -150.6 | -34.8 | 0 | 0 | 107.9 | P666 S670 | P666-Q668 PolarHBondContact O-N 3.45Å; P666-Q668 VanDerWaalsContact O-N 3.08Å; Q668-S670 PolarHBondContact O-N 3.43Å; Q668-S670 VanDerWaalsContact O-N 3.08Å |
| 669 | V | 28.7 | Very low | 31.4 | Very low | 80 Ų | 80 | 137.7 Ų | 137.7 | 49% | 0.485 | 73% | 0.729 | S | S | . | * | | | trans | -61.6 | 114.9 | 170.2 | -141.8 | 0 | 0 | 0 | 0 | 106.1 | Q667 S671 Q673 | Q667-V669 WeakPolarHBondContact O-CG2 3.29Å; Q667-V669 PolarHBondContact O-N 2.96Å; V669-S671 PolarHBondContact O-N 2.78Å; V669-Q673 HydrophobicContact CG1-CB 4.16Å |
| 670 | S | 30.2 | Very low | 31.7 | Very low | 74 Ų | 74 | 135.9 Ų | 135.9 | 52% | 0.517 | 73% | 0.733 | S | S | . | * | | | trans | -41.5 | 134.4 | 175.2 | 169 | 0 | 0 | 0 | 0 | 109.9 | Q668 S672 Q673 | Q668-S670 PolarHBondContact O-N 3.43Å; Q668-S670 VanDerWaalsContact O-N 3.08Å; S670-S672 PolarHBondContact O-N 3.42Å; S670-S672 PolarHBondContact OG-OG 2.96Å; S670-Q673 PolarHBondContact O-N 3.27Å |
| 671 | S | 34.8 | Very low | 31.7 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -55.8 | -15.8 | -175.7 | 48.3 | 0 | 0 | 0 | 0 | 114.2 | V669 Q673 | V669-S671 PolarHBondContact O-N 2.78Å; S671-Q673 VanDerWaalsContact C-N 3.25Å; S671-Q673 PolarHBondContact O-N 3.49Å |
| 672 | S | 35.5 | Very low | 32.2 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -68 | -20.4 | 173.1 | 69.2 | 0 | 0 | 0 | 0 | 114.1 | S670 | S670-S672 PolarHBondContact O-N 3.42Å; S670-S672 PolarHBondContact OG-OG 2.96Å |
| 673 | Q | 33.5 | Very low | 32.7 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 52% | 0.519 | 74% | 0.743 | S | S | . | * | G | 310 helix | trans | -102.4 | 12.4 | -175.4 | -148.2 | 160.8 | 3.2 | 0 | 0 | 113.4 | V669 S670 S671 Q675 | V669-Q673 HydrophobicContact CG1-CB 4.16Å; S670-Q673 PolarHBondContact O-N 3.27Å; S671-Q673 VanDerWaalsContact C-N 3.25Å; S671-Q673 PolarHBondContact O-N 3.49Å; Q673-Q675 PolarHBondContact O-N 3.05Å |
| 674 | R | 32.6 | Very low | 33.3 | Very low | 209 Ų | 209 | 143.9 Ų | 143.9 | 79% | 0.789 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -5 | 179.4 | -77.3 | -169 | 175.5 | -139.4 | 0.1 | 114.9 | | |
| 675 | Q | 41.2 | Very low | 33.7 | Very low | 181 Ų | 181 | 143.8 Ų | 143.8 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -11.5 | -177 | -67.9 | -152.6 | -5.7 | 0 | 0 | 115.9 | Q673 | Q673-Q675 PolarHBondContact O-N 3.05Š|
| 676 | N | 38.7 | Very low | 34.3 | Very low | 147 Ų | 147 | 142 Ų | 142 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -115.8 | 10.7 | -174.5 | -79.8 | -15.9 | 0 | 0 | 0 | 116.4 | Q678 | N676-Q678 PolarHBondContact O-N 3.09Š|
| 677 | H | 38.3 | Very low | 34.9 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 56% | 0.56 | 75% | 0.752 | S | S | * | * | | | trans | -101.6 | 59.4 | 169.5 | -59.3 | -56.2 | 0 | 0 | 0 | 110.4 | W679 | H677-W679 VanDerWaalsContact C-N 3.29Å; H677-W679 PolarHBondContact O-N 3.24Å |
| 678 | Q | 36 | Very low | 35.4 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | | | trans | -67.9 | 102 | 154.9 | -145.9 | 173.5 | 22.3 | 0 | 0 | 104.8 | N676 A680 | N676-Q678 PolarHBondContact O-N 3.09Å; Q678-A680 PolarHBondContact O-N 3.37Å |
| 679 | W | 36.5 | Very low | 36 | Very low | 233 Ų | 233 | 144.6 Ų | 144.6 | 88% | 0.883 | 74% | 0.744 | S | S | * | * | | | trans | -49.7 | 109.8 | 176.2 | -67.6 | 84.4 | 0 | 0 | 0 | 107.4 | H677 M681 | H677-W679 VanDerWaalsContact C-N 3.29Å; H677-W679 PolarHBondContact O-N 3.24Å; W679-M681 PolarHBondContact O-N 3.46Å |
| 680 | A | 36 | Very low | 36.4 | Very low | 95 Ų | 95 | 147.7 Ų | 147.7 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | -61.1 | 97.8 | 171 | 0 | 0 | 0 | 0 | 0 | 105.5 | Q678 | Q678-A680 PolarHBondContact O-N 3.37Š|
| 681 | M | 30 | Very low | 37 | Very low | 158 Ų | 158 | 150.1 Ų | 150.1 | 78% | 0.778 | 77% | 0.769 | S | S | * | * | | | trans | -53.7 | 126.3 | 167.3 | -72.5 | -82.8 | -76.4 | 0 | 0 | 105.2 | W679 T683 | W679-M681 PolarHBondContact O-N 3.46Å; M681-T683 PolarHBondContact O-N 3.27Å |
| 682 | P | 38.1 | Very low | 37.1 | Very low | 113 Ų | 113 | 148.4 Ų | 148.4 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | -54.1 | 113.3 | 178.8 | 19.4 | -29 | 0 | 0 | 0 | 106.7 | E684 | P682-E684 PolarHBondContact O-N 3.33Š|
| 683 | T | 37.2 | Very low | 37.3 | Very low | 128 Ų | 128 | 149.2 Ų | 149.2 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -62.7 | 108.9 | 173.2 | -52.7 | 0 | 0 | 0 | 0 | 104.1 | M681 M685 | M681-T683 PolarHBondContact O-N 3.27Å; T683-M685 VanDerWaalsContact C-N 3.26Å; T683-M685 PolarHBondContact O-N 3Å |
| 684 | E | 37.8 | Very low | 37.5 | Very low | 183 Ų | 183 | 156.8 Ų | 156.8 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | | | trans | -54.8 | 97.9 | 173.6 | -71.5 | -178.2 | 167.2 | 0 | 0 | 106.4 | P682 P686 | P682-E684 PolarHBondContact O-N 3.33Å; E684-P686 VanDerWaalsContact O-CD 3.27Å; E684-P686 WeakPolarHBondContact O-CD 3.35Å |
| 685 | M | 32.1 | Very low | 37.8 | Very low | 155 Ų | 155 | 154.2 Ų | 154.2 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | | | trans | -65.7 | 119.4 | 172.1 | -70.6 | -152 | -64.6 | 0 | 0 | 105.6 | T683 F687 | T683-M685 VanDerWaalsContact C-N 3.26Å; T683-M685 PolarHBondContact O-N 3Å; M685-F687 PolarHBondContact O-N 3.32Å |
| 686 | P | 39 | Very low | 37.6 | Very low | 116 Ų | 116 | 152.7 Ų | 152.7 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | trans | -60.5 | 110.5 | 174.4 | 24.4 | -30.6 | 0 | 0 | 0 | 106.5 | E684 E688 | E684-P686 VanDerWaalsContact O-CD 3.27Å; E684-P686 WeakPolarHBondContact O-CD 3.35Å; P686-E688 PolarHBondContact O-N 3.25Å |
| 687 | F | 39 | Very low | 37.5 | Very low | 206 Ų | 206 | 153.1 Ų | 153.1 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | | | trans | -61.8 | 98.4 | 164.2 | -81.2 | -90.8 | 0 | 0 | 0 | 105.7 | M685 Q689 | M685-F687 PolarHBondContact O-N 3.32Å; F687-Q689 PolarHBondContact O-N 2.72Å |
| 688 | E | 39.4 | Very low | 37.5 | Very low | 167 Ų | 167 | 154.9 Ų | 154.9 | 78% | 0.78 | 82% | 0.823 | S | S | * | * | | | trans | -61.5 | 87.6 | 158.7 | -73.9 | -164.7 | 156.3 | 0 | 0 | 106.2 | P686 N690 | P686-E688 PolarHBondContact O-N 3.25Å; E688-N690 PolarHBondContact O-N 3.02Å |
| 689 | Q | 40.8 | Very low | 37.6 | Very low | 170 Ų | 170 | 153.1 Ų | 153.1 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | | | trans | -66.2 | 92 | 166.5 | -158.1 | 172 | 26.4 | 0 | 0 | 104.5 | F687 V691 | F687-Q689 PolarHBondContact O-N 2.72Å; Q689-V691 WeakPolarHBondContact O-CG2 3.47Å; Q689-V691 PolarHBondContact O-N 3.29Å |
| 690 | N | 37.2 | Very low | 37.7 | Very low | 145 Ų | 145 | 147.7 Ų | 147.7 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | | | trans | -57.8 | 85.3 | 166.4 | -88.4 | -44.7 | 0 | 0 | 0 | 106.9 | E688 G692 | E688-N690 PolarHBondContact O-N 3.02Å; N690-G692 PolarHBondContact O-N 3.35Å |
| 691 | V | 43.1 | Very low | 37.8 | Very low | 125 Ų | 125 | 151.5 Ų | 151.5 | 76% | 0.758 | 82% | 0.818 | S | S | * | * | | | trans | -71.4 | 80.9 | 162.2 | -165.5 | 0 | 0 | 0 | 0 | 104.3 | Q689 S693 | Q689-V691 WeakPolarHBondContact O-CG2 3.47Å; Q689-V691 PolarHBondContact O-N 3.29Å; V691-S693 PolarHBondContact O-N 3.49Å |
| 692 | G | 37.6 | Very low | 38.4 | Very low | 65 Ų | 65 | 151 Ų | 151 | 67% | 0.67 | 82% | 0.821 | S | S | * | * | | | trans | -53.5 | 109.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | N690 Q694 | N690-G692 PolarHBondContact O-N 3.35Å; G692-Q694 PolarHBondContact O-N 3.4Å; G692-Q694 VanDerWaalsContact O-N 3.16Å |
| 693 | S | 39.1 | Very low | 38.4 | Very low | 120 Ų | 120 | 154.2 Ų | 154.2 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | | | trans | -57.6 | 108.9 | 162.4 | 50.4 | 0 | 0 | 0 | 0 | 108.6 | V691 | V691-S693 PolarHBondContact O-N 3.49Š|
| 694 | Q | 38.4 | Very low | 38.5 | Very low | 270 Ų | 270 | 156.5 Ų | 156.5 | 100% | 1.262 | 83% | 0.832 | S | S | * | * | | | trans | -124 | 0 | 153.4 | -82.1 | -163.3 | -5.5 | 0 | 0 | 109 | G692 | G692-Q694 PolarHBondContact O-N 3.4Å; G692-Q694 VanDerWaalsContact O-N 3.16Å |