| 1 | M | 39.2 | Very low | 44.5 | Very low | 244 Ų | 244 | 152.3 Ų | 152.3 | 100% | 1.202 | 86% | 0.855 | S | S | * | * | | | | 0 | 99.6 | 0 | -67.1 | 146.7 | 177.2 | 0 | 0 | 105 | | |
| 2 | A | 41.4 | Very low | 44.5 | Very low | 108 Ų | 108 | 155 Ų | 155 | 89% | 0.893 | 86% | 0.856 | S | S | * | * | | | | 79.3 | 86.4 | 68 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 3 | E | 44.1 | Very low | 46 | Very low | 204 Ų | 204 | 154.2 Ų | 154.2 | 95% | 0.953 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 134.7 | 174.7 | -166.5 | 166.4 | 111.9 | 0 | 0 | 108.6 | | |
| 4 | A | 45.4 | Very low | 47.5 | Very low | 86 Ų | 86 | 150.2 Ų | 150.2 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 135.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 5 | A | 46 | Very low | 48.8 | Very low | 99 Ų | 99 | 148.4 Ų | 148.4 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 131 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 6 | Q | 44.7 | Very low | 49.2 | Very low | 183 Ų | 183 | 148.4 Ų | 148.4 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 139.8 | 166.1 | -74.9 | 93.3 | 6.4 | 0 | 0 | 111.4 | | |
| 7 | Q | 42.1 | Very low | 49.8 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 152 | 167 | -64.1 | -179.3 | 2.7 | 0 | 0 | 110.2 | | |
| 8 | P | 46.9 | Very low | 50.9 | Low | 126 Ų | 126 | 150.1 Ų | 150.1 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 141.2 | 174.4 | 29.9 | -34.4 | 0 | 0 | 0 | 111.5 | L10 | P8-L10 PolarHBondContact O-N 3.14Š|
| 9 | H | 43.6 | Very low | 51.3 | Low | 174 Ų | 174 | 147.7 Ų | 147.7 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 117.7 | 177.6 | -166.9 | -55.6 | 0 | 0 | 0 | 110.5 | | |
| 10 | L | 46.1 | Very low | 51.7 | Low | 157 Ų | 157 | 148.4 Ų | 148.4 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -70 | 128.9 | 167.7 | -163.7 | 79.1 | 0 | 0 | 0 | 108.1 | P8 | P8-L10 PolarHBondContact O-N 3.14Š|
| 11 | V | 50 | Low | 51.7 | Low | 114 Ų | 114 | 147.1 Ų | 147.1 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | | | trans | -86.7 | 115.8 | 172 | 179.8 | 0 | 0 | 0 | 0 | 107.4 | I13 | V11-I13 PolarHBondContact O-N 2.97Š|
| 12 | E | 44.4 | Very low | 52.5 | Low | 185 Ų | 185 | 146.4 Ų | 146.4 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | | | trans | -69.4 | 125.8 | 173.8 | -168 | 161.3 | -154.1 | 0 | 0 | 108.8 | | |
| 13 | I | 64.1 | Low | 52.9 | Low | 145 Ų | 145 | 146.6 Ų | 146.6 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | | | trans | -105 | 123.7 | -178.3 | -62 | 173.7 | 0 | 0 | 0 | 107.2 | V11 | V11-I13 PolarHBondContact O-N 2.97Š|
| 14 | D | 67.1 | Low | 53.2 | Low | 98 Ų | 98 | 148.9 Ų | 148.9 | 52% | 0.524 | 79% | 0.785 | S | S | . | * | | | trans | -54.5 | 119.1 | 177.3 | -174.6 | -12.7 | 0 | 0 | 0 | 111 | D16 F17 | D14-D16 VanDerWaalsContact C-N 3.27Å; D14-D16 PolarHBondContact O-N 3.49Å; D14-D16 PolarHBondContact OD1-N 3.06Å; D14-F17 HydrophobicContact CB-CB 4.49Å |
| 15 | P | 66.4 | Low | 53.5 | Low | 123 Ų | 123 | 149.4 Ų | 149.4 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -19.5 | -177.7 | 29.6 | -35.7 | 0 | 0 | 0 | 113.7 | F17 | P15-F17 VanDerWaalsContact C-N 3.35Š|
| 16 | D | 56.3 | Low | 53.6 | Low | 148 Ų | 148 | 150.3 Ų | 150.3 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 7.3 | -178.1 | -73.3 | -26.7 | 0 | 0 | 0 | 113.1 | D14 E18 | D14-D16 VanDerWaalsContact C-N 3.27Å; D14-D16 PolarHBondContact O-N 3.49Å; D14-D16 PolarHBondContact OD1-N 3.06Å; D16-E18 PolarHBondContact O-N 2.98Å |
| 17 | F | 59.7 | Low | 53.7 | Low | 158 Ų | 158 | 147.5 Ų | 147.5 | 69% | 0.693 | 78% | 0.779 | S | S | * | * | | | trans | -76.3 | 80.2 | -178.9 | -158.5 | -86.9 | 0 | 0 | 0 | 113.1 | D14 P15 P19 | D14-F17 HydrophobicContact CB-CB 4.49Å; P15-F17 VanDerWaalsContact C-N 3.35Å; F17-P19 WeakPolarHBondContact O-CD 3.29Å |
| 18 | E | 68.8 | Low | 54.3 | Low | 169 Ų | 169 | 148.7 Ų | 148.7 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | trans | -63.4 | 120.3 | 177.9 | -169.1 | 179.3 | -154.7 | 0 | 0 | 112.1 | D16 L20 | D16-E18 PolarHBondContact O-N 2.98Å; E18-L20 PolarHBondContact O-N 3.41Å |
| 19 | P | 58.9 | Low | 54.6 | Low | 106 Ų | 106 | 148.1 Ų | 148.1 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | | | trans | -78.6 | 106.6 | -174.4 | 29.9 | -34.1 | 0 | 0 | 0 | 112.1 | F17 S21 | F17-P19 WeakPolarHBondContact O-CD 3.29Å; P19-S21 PolarHBondContact O-N 3.05Å; P19-S21 VanDerWaalsContact O-N 3.16Å |
| 20 | L | 59.8 | Low | 54.6 | Low | 160 Ų | 160 | 146.3 Ų | 146.3 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | | | trans | -49.9 | 120.2 | 179.9 | -83.8 | 77.6 | 0 | 0 | 0 | 112.9 | E18 R22 | E18-L20 PolarHBondContact O-N 3.41Å; L20-R22 PolarHBondContact O-N 3.04Å |
| 21 | S | 50.7 | Low | 54.6 | Low | 123 Ų | 123 | 144.5 Ų | 144.5 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | | | trans | -64.3 | 113.2 | 178.4 | -77.7 | 0 | 0 | 0 | 0 | 112 | P19 | P19-S21 PolarHBondContact O-N 3.05Å; P19-S21 VanDerWaalsContact O-N 3.16Å |
| 22 | R | 56.5 | Low | 54 | Low | 229 Ų | 229 | 148.8 Ų | 148.8 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | trans | -69.7 | 142.1 | 173.6 | -67 | -178.2 | 178.7 | -120.3 | -1.4 | 110.9 | L20 R24 | L20-R22 PolarHBondContact O-N 3.04Å; R22-R24 PolarHBondContact O-N 2.95Å |
| 23 | P | 49.1 | Very low | 54.1 | Low | 112 Ų | 112 | 145.5 Ų | 145.5 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -62.9 | 134.4 | -179 | 24.6 | -33.9 | 0 | 0 | 0 | 112.3 | S25 | P23-S25 VanDerWaalsContact C-N 3.31Å; P23-S25 PolarHBondContact O-N 2.86Å |
| 24 | R | 50 | Low | 53.3 | Low | 251 Ų | 251 | 145.9 Ų | 145.9 | 95% | 0.947 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -79.5 | 65.3 | -176.5 | -70 | -174.7 | 168.9 | -151 | 0 | 113 | R22 | R22-R24 PolarHBondContact O-N 2.95Š|
| 25 | S | 51.6 | Low | 51.9 | Low | 98 Ų | 98 | 151 Ų | 151 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | | | trans | -122.2 | -0.9 | 177.1 | 55.4 | 0 | 0 | 0 | 0 | 115.2 | P23 | P23-S25 VanDerWaalsContact C-N 3.31Å; P23-S25 PolarHBondContact O-N 2.86Å |
| 26 | C | 49.5 | Very low | 50.5 | Low | 118 Ų | 118 | 152.6 Ų | 152.6 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -117.1 | 31.5 | -176.4 | -67.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 27 | T | 46.7 | Very low | 49.4 | Very low | 124 Ų | 124 | 152.9 Ų | 152.9 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | | | trans | -124.5 | 91.9 | 178 | -50.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 28 | W | 53.7 | Low | 48.7 | Very low | 205 Ų | 205 | 151.2 Ų | 151.2 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | | | trans | -71 | 149.5 | 153.2 | -65.1 | 92.9 | 0 | 0 | 0 | 107.9 | L30 | W28-L30 HydrophobicContact CE3-CD2 4.5Å; W28-L30 HydrophobicContact CE3-CG 4.12Å; W28-L30 HydrophobicContact CZ3-CD2 3.82Å; W28-L30 HydrophobicContact CZ3-CG 3.85Å |
| 29 | P | 53.7 | Low | 46.9 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | | | cis | -105.4 | 173.5 | 41.8 | 38.5 | -37.2 | 0 | 0 | 0 | 116 | | |
| 30 | L | 44.8 | Very low | 45.6 | Very low | 135 Ų | 135 | 148.5 Ų | 148.5 | 71% | 0.707 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 141.9 | 168.1 | -74.5 | 157 | 0 | 0 | 0 | 111.2 | W28 | W28-L30 HydrophobicContact CE3-CD2 4.5Å; W28-L30 HydrophobicContact CE3-CG 4.12Å; W28-L30 HydrophobicContact CZ3-CD2 3.82Å; W28-L30 HydrophobicContact CZ3-CG 3.85Å |
| 31 | P | 44.3 | Very low | 44.3 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 141 | 167.1 | 29.9 | -33.4 | 0 | 0 | 0 | 110.9 | | |
| 32 | R | 38.5 | Very low | 43.5 | Very low | 204 Ų | 204 | 146.2 Ų | 146.2 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -74 | 142.5 | 168.2 | 172.7 | -179.6 | -80.7 | 179.5 | -7.7 | 109 | E34 | R32-E34 PolarHBondContact O-N 2.96Š|
| 33 | P | 46.6 | Very low | 42.4 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 116.6 | 168.7 | 28.2 | -33.3 | 0 | 0 | 0 | 109.9 | | |
| 34 | E | 46 | Very low | 41.5 | Very low | 153 Ų | 153 | 141 Ų | 141 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 143.4 | 172.1 | -68.4 | -57.9 | 140.8 | 0 | 0 | 110.7 | R32 | R32-E34 PolarHBondContact O-N 2.96Š|
| 35 | F | 37.4 | Very low | 40.5 | Very low | 205 Ų | 205 | 134.4 Ų | 134.4 | 90% | 0.899 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 137.2 | 178.6 | -80.2 | -99.4 | 0 | 0 | 0 | 111.1 | | |
| 36 | I | 39 | Very low | 40.4 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 127 | 172.4 | -61.3 | 172.6 | 0 | 0 | 0 | 109.1 | | |
| 37 | N | 33.1 | Very low | 39.5 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | | | trans | -144.9 | 155.7 | 152.5 | -101.5 | -48.7 | 0 | 0 | 0 | 109.8 | | |
| 38 | P | 44 | Very low | 39.6 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | | | trans | -96.5 | 154.7 | -149.9 | 36.4 | -37.4 | 0 | 0 | 0 | 115 | | |
| 39 | G | 31.6 | Very low | 38.7 | Very low | 65 Ų | 65 | 131.1 Ų | 131.1 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | | | trans | -175.1 | 99.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 40 | D | 31.6 | Very low | 37.5 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | | | trans | 39.3 | 146.7 | 150.4 | -62.1 | -48.8 | 0 | 0 | 0 | 123.1 | | |
| 41 | S | 32.3 | Very low | 37.1 | Very low | 83 Ų | 83 | 134.3 Ų | 134.3 | 58% | 0.58 | 77% | 0.773 | S | S | * | * | | | cis | 159.1 | 98.9 | -18.1 | -95 | 0 | 0 | 0 | 0 | 106.2 | | |
| 42 | N | 33.3 | Very low | 36.2 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | trans | 69.6 | 171.2 | 162.3 | -39.7 | -60.8 | 0 | 0 | 0 | 116 | | |
| 43 | T | 32.8 | Very low | 35.7 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | cis | -146 | 149 | 13.1 | 58.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 44 | S | 31 | Very low | 35.9 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | | | trans | 46.8 | 118.1 | 136.7 | -52.2 | 0 | 0 | 0 | 0 | 125.4 | | |
| 45 | S | 29.8 | Very low | 35.2 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | | 9 | 164.9 | 117.8 | -57.5 | 0 | 0 | 0 | 0 | 122.4 | | |
| 46 | P | 48.2 | Very low | 34.9 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | cis | -146.2 | -178.9 | -29.1 | 41.9 | -22.4 | 0 | 0 | 0 | 116.9 | | |
| 47 | V | 32.1 | Very low | 34.4 | Very low | 132 Ų | 132 | 122.5 Ų | 122.5 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | | | trans | 23.5 | 140.9 | 136.3 | 170.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 48 | P | 47.7 | Very low | 34.3 | Very low | 114 Ų | 114 | 123 Ų | 123 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | | | cis | -148.5 | 160.2 | 37.5 | 29.6 | -4 | 0 | 0 | 0 | 122.5 | | |
| 49 | S | 34.4 | Very low | 33.8 | Very low | 118 Ų | 118 | 121.7 Ų | 121.7 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | | | | 35.8 | 142 | 128 | -154.6 | 0 | 0 | 0 | 0 | 126 | | |
| 50 | V | 28.4 | Very low | 33.8 | Very low | 145 Ų | 145 | 127 Ų | 127 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | | | trans | -149.9 | 164.5 | 154.4 | 74.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 51 | K | 35.9 | Very low | 33.8 | Very low | 171 Ų | 171 | 128 Ų | 128 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | trans | -150.3 | 144.7 | -176.6 | -177.9 | -166.6 | 172.8 | -170 | 0 | 113.8 | | |
| 52 | Q | 27.1 | Very low | 33.9 | Very low | 195 Ų | 195 | 129.3 Ų | 129.3 | 91% | 0.911 | 76% | 0.761 | S | S | * | * | | | trans | -147.8 | 173.3 | 149.5 | -122.9 | 170.3 | 6.7 | 0 | 0 | 113.5 | | |
| 53 | E | 27.9 | Very low | 33.6 | Very low | 141 Ų | 141 | 128.3 Ų | 128.3 | 66% | 0.659 | 76% | 0.756 | S | S | * | * | | | trans | -143.7 | 179 | -166.8 | -112.7 | -105.5 | 116.7 | 0 | 0 | 107.4 | G55 | E53-G55 PolarHBondContact OE1-N 3.12Š|
| 54 | P | 50.5 | Low | 33.2 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | | | cis | -146 | 165.6 | 24 | 42.5 | -22.3 | 0 | 0 | 0 | 120.6 | | |
| 55 | G | 31.2 | Very low | 33.1 | Very low | 52 Ų | 52 | 129.9 Ų | 129.9 | 54% | 0.536 | 75% | 0.75 | S | S | . | * | | | | 98.6 | 126.9 | 115.1 | 0 | 0 | 0 | 0 | 0 | 123.3 | E53 | E53-G55 PolarHBondContact OE1-N 3.12Š|
| 56 | V | 31.1 | Very low | 32.8 | Very low | 146 Ų | 146 | 128.9 Ų | 128.9 | 89% | 0.885 | 74% | 0.743 | S | S | * | * | | | trans | 58.3 | 135.3 | 145.7 | -165.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 57 | G | 28.8 | Very low | 31.8 | Very low | 56 Ų | 56 | 130.8 Ų | 130.8 | 58% | 0.577 | 75% | 0.746 | S | S | * | * | | | cis | 148.3 | 152.9 | -2.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 58 | N | 30.5 | Very low | 31.8 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 88% | 0.877 | 74% | 0.744 | S | S | * | * | | | trans | 71.7 | 156.9 | -175.7 | -38.5 | -80.2 | 0 | 0 | 0 | 114.6 | | |
| 59 | A | 34.3 | Very low | 31 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 79% | 0.793 | 75% | 0.748 | S | S | * | * | | | cis | -140.6 | 165 | 3.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 60 | E | 31.5 | Very low | 30.7 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | trans | -92.7 | -170.2 | 174.9 | -53.7 | -176 | 128.1 | 0 | 0 | 112.6 | | |
| 61 | F | 31 | Very low | 30.9 | Very low | 176 Ų | 176 | 134.8 Ų | 134.8 | 77% | 0.772 | 73% | 0.731 | S | S | * | * | | | trans | 80.1 | 142.1 | 151.7 | -115.8 | -113.4 | 0 | 0 | 0 | 117.8 | | |
| 62 | I | 34.3 | Very low | 30.7 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 56% | 0.564 | 74% | 0.736 | S | S | * | * | | | cis | -166.4 | 172.6 | -33.2 | -149.9 | 169.6 | 0 | 0 | 0 | 107.6 | | |
| 63 | N | 27.3 | Very low | 30.8 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | | | trans | 65.8 | 162.1 | 165.5 | -83.9 | -14 | 0 | 0 | 0 | 116.9 | | |
| 64 | N | 24.8 | Very low | 30.9 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | | | cis | -161.4 | 168.3 | -42.4 | -142.1 | -45 | 0 | 0 | 0 | 108.5 | | |
| 65 | L | 27.6 | Very low | 30 | Very low | 140 Ų | 140 | 132 Ų | 132 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | | | trans | 40 | 114.9 | 153.9 | -110.7 | 70.5 | 0 | 0 | 0 | 120.5 | | |
| 66 | S | 24.7 | Very low | 30.1 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | | | | 68.1 | 146.2 | 117.1 | -76.4 | 0 | 0 | 0 | 0 | 124.2 | | |
| 67 | L | 27.7 | Very low | 30 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 80% | 0.796 | 72% | 0.721 | S | S | * | * | | | trans | 69.2 | 149.2 | 153.7 | -89.7 | 75.7 | 0 | 0 | 0 | 116.4 | | |
| 68 | L | 31 | Very low | 29.9 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | | | cis | -156.1 | -151.7 | -17.9 | -137.4 | -179.8 | 0 | 0 | 0 | 108.8 | | |
| 69 | E | 30.9 | Very low | 30.1 | Very low | 176 Ų | 176 | 141.5 Ų | 141.5 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | | | trans | 80.4 | 121.6 | -178.1 | -54.3 | 175.4 | 159.8 | 0 | 0 | 112.5 | | |
| 70 | E | 28.8 | Very low | 30 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 77% | 0.766 | 72% | 0.719 | S | S | * | * | | | cis | -144.2 | 164.5 | 5.9 | -72.2 | -161 | 114.2 | 0 | 0 | 109.7 | | |
| 71 | N | 30.9 | Very low | 29.8 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 58% | 0.583 | 72% | 0.72 | S | S | * | * | | | cis | -163.6 | -179.8 | -17 | -95.8 | -6.5 | 0 | 0 | 0 | 109.7 | | |
| 72 | E | 32.9 | Very low | 29.6 | Very low | 181 Ų | 181 | 139.3 Ų | 139.3 | 85% | 0.846 | 72% | 0.717 | S | S | * | * | | | trans | 11.8 | 131.6 | 148.6 | -58.2 | 172.3 | 144 | 0 | 0 | 119.7 | | |
| 73 | D | 28.8 | Very low | 29.2 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | | | cis | -166 | -161.5 | -10.1 | -152.1 | -174.8 | 0 | 0 | 0 | 107.2 | | |
| 74 | F | 29.8 | Very low | 29.2 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | | | cis | -158.9 | -170.2 | 8.3 | -165.6 | -147.4 | 0 | 0 | 0 | 111.7 | | |
| 75 | T | 32.3 | Very low | 29.3 | Very low | 79 Ų | 79 | 141 Ų | 141 | 49% | 0.485 | 73% | 0.729 | S | S | . | * | | | trans | -62.7 | 164.2 | 176.2 | 58.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 76 | E | 32.5 | Very low | 29.2 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | cis | -166.4 | 175.1 | -11.7 | -106.7 | -179.7 | 84.6 | 0 | 0 | 106.2 | | |
| 77 | Q | 29.8 | Very low | 29.5 | Very low | 166 Ų | 166 | 145.8 Ų | 145.8 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | | | cis | -157.3 | 163.2 | 26.5 | -148.5 | 150.2 | 62.6 | 0 | 0 | 111.6 | | |
| 78 | K | 26.1 | Very low | 29.5 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | | | trans | -91.4 | 169.9 | 180 | -130.9 | -175.2 | 179.1 | 173.1 | 0 | 111.5 | | |
| 79 | P | 35.6 | Very low | 29.5 | Very low | 130 Ų | 130 | 146.9 Ų | 146.9 | 84% | 0.844 | 75% | 0.746 | S | S | * | * | | | | -138.7 | -176.6 | 59.8 | 31.2 | -8.4 | 0 | 0 | 0 | 116.1 | | |
| 80 | V | 30.7 | Very low | 29.6 | Very low | 99 Ų | 99 | 147.2 Ų | 147.2 | 60% | 0.6 | 75% | 0.748 | S | S | * | * | | | trans | -124.8 | 137.4 | -173.8 | 161.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 81 | I | 27.9 | Very low | 29.9 | Very low | 165 Ų | 165 | 146.7 Ų | 146.7 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | | | trans | -146.8 | 125 | 155.7 | -67.6 | -170.1 | 0 | 0 | 0 | 104.9 | | |
| 82 | L | 27.3 | Very low | 30.1 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 71% | 0.712 | 77% | 0.766 | S | S | * | * | | | cis | 88.2 | 129.9 | 27.1 | -133.4 | 176.6 | 0 | 0 | 0 | 113.6 | | |
| 83 | C | 25.3 | Very low | 30.5 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 72% | 0.716 | 76% | 0.764 | S | S | * | * | | | trans | 72.4 | 152.4 | -178.7 | -59.3 | 0 | 0 | 0 | 0 | 116 | | |
| 84 | N | 26.9 | Very low | 31.2 | Very low | 133 Ų | 133 | 147.6 Ų | 147.6 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | cis | -147.2 | 157.9 | -3.4 | -140.4 | 53.4 | 0 | 0 | 0 | 114.5 | | |
| 85 | E | 27.5 | Very low | 31.8 | Very low | 164 Ų | 164 | 149 Ų | 149 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | trans | -66.2 | 147.7 | 161.1 | 178.5 | -173.5 | 146.7 | 0 | 0 | 111.9 | | |
| 86 | F | 25.8 | Very low | 32.1 | Very low | 184 Ų | 184 | 153.9 Ų | 153.9 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | | | trans | -151.5 | 150.9 | 159.7 | -117.5 | -77.7 | 0 | 0 | 0 | 113.8 | | |
| 87 | Q | 31 | Very low | 32.5 | Very low | 147 Ų | 147 | 150.5 Ų | 150.5 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | | | trans | -77 | 158.1 | -169.1 | -60.5 | 162.3 | -37 | 0 | 0 | 114.8 | | |
| 88 | C | 28.1 | Very low | 33.2 | Very low | 140 Ų | 140 | 151.2 Ų | 151.2 | 95% | 0.946 | 80% | 0.795 | S | S | * | * | | | trans | -138.9 | 90.9 | 150.6 | -94.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 89 | Q | 30.9 | Very low | 34 | Very low | 179 Ų | 179 | 151.1 Ų | 151.1 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | | | trans | -115.6 | 86.2 | 174.6 | -178.6 | -176.9 | -24.8 | 0 | 0 | 110.2 | | |
| 90 | E | 33.6 | Very low | 34.3 | Very low | 184 Ų | 184 | 152.8 Ų | 152.8 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -162.8 | 155.1 | 159.3 | -119 | -175 | 151.6 | 0 | 0 | 111.9 | | |
| 91 | N | 34.4 | Very low | 34.8 | Very low | 152 Ų | 152 | 155.8 Ų | 155.8 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | trans | 106.3 | 51.2 | -178.7 | -62.2 | -68.9 | 0 | 0 | 0 | 118 | | |
| 92 | C | 35.4 | Very low | 35.5 | Very low | 135 Ų | 135 | 156 Ų | 156 | 91% | 0.912 | 80% | 0.799 | S | S | * | * | | | trans | -118.1 | 28.6 | 164.4 | -89.3 | 0 | 0 | 0 | 0 | 114 | | |
| 93 | V | 40 | Very low | 36.3 | Very low | 133 Ų | 133 | 157.8 Ų | 157.8 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | | | trans | -134.2 | 71 | 179.9 | -168 | 0 | 0 | 0 | 0 | 111.2 | | |
| 94 | H | 44.4 | Very low | 37 | Very low | 183 Ų | 183 | 161 Ų | 161 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -151.5 | -6.6 | 170.2 | -109.9 | 82.1 | 0 | 0 | 0 | 116.4 | | |
| 95 | Q | 42.1 | Very low | 37.7 | Very low | 192 Ų | 192 | 163.5 Ų | 163.5 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -92.9 | -12.7 | -174.2 | -164.6 | 159.5 | 92.9 | 0 | 0 | 114.7 | | |
| 96 | Q | 39.8 | Very low | 38.4 | Very low | 182 Ų | 182 | 164.4 Ų | 164.4 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | G | 310 helix | trans | -88 | -13.8 | -170.6 | -157.3 | 167.1 | 8.2 | 0 | 0 | 114.7 | Q98 | Q96-Q98 PolarHBondContact O-N 3.31Š|
| 97 | A | 40.4 | Very low | 39.3 | Very low | 80 Ų | 80 | 164.4 Ų | 164.4 | 66% | 0.661 | 82% | 0.821 | S | S | * | * | G | 310 helix | trans | -75 | -15.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 98 | Q | 44 | Very low | 39.6 | Very low | 180 Ų | 180 | 166.5 Ų | 166.5 | 84% | 0.841 | 83% | 0.831 | S | S | * | * | G | 310 helix | trans | -85.7 | -14.6 | -168.5 | -113.9 | 178.6 | -3.8 | 0 | 0 | 115.7 | Q96 | Q96-Q98 PolarHBondContact O-N 3.31Š|
| 99 | Q | 43.8 | Very low | 40.2 | Very low | 170 Ų | 170 | 169.3 Ų | 169.3 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -86.5 | -28.8 | -175 | -69.7 | -174.6 | -4.1 | 0 | 0 | 114.3 | H101 | Q99-H101 VanDerWaalsContact C-N 3.29Å; Q99-H101 PolarHBondContact O-N 3.32Å |
| 100 | Q | 41 | Very low | 40.3 | Very low | 165 Ų | 165 | 169 Ų | 169 | 77% | 0.771 | 83% | 0.828 | S | S | * | * | G | 310 helix | trans | -67 | -27.8 | -173.9 | -71 | -176.2 | -16.1 | 0 | 0 | 113.5 | H102 H103 | Q100-H102 PolarHBondContact O-N 3.22Å; Q100-H102 VanDerWaalsContact O-N 3.16Å; Q100-H103 PolarHBondContact O-N 3.4Å |
| 101 | H | 40.5 | Very low | 40.6 | Very low | 161 Ų | 161 | 168.2 Ų | 168.2 | 75% | 0.745 | 83% | 0.825 | S | S | * | * | G | 310 helix | trans | -68.9 | -14.5 | -172.6 | -118.6 | -60.5 | 0 | 0 | 0 | 115.3 | Q99 | Q99-H101 VanDerWaalsContact C-N 3.29Å; Q99-H101 PolarHBondContact O-N 3.32Å |
| 102 | H | 44 | Very low | 41.2 | Very low | 171 Ų | 171 | 166.7 Ų | 166.7 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | G | 310 helix | trans | -85.8 | -24.3 | 179.4 | -103.9 | 64.2 | 0 | 0 | 0 | 114.3 | Q100 | Q100-H102 PolarHBondContact O-N 3.22Å; Q100-H102 VanDerWaalsContact O-N 3.16Å |
| 103 | H | 43.3 | Very low | 41 | Very low | 172 Ų | 172 | 167.6 Ų | 167.6 | 80% | 0.796 | 82% | 0.819 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -20 | -172.3 | -98.8 | 87 | 0 | 0 | 0 | 114.7 | Q100 | Q100-H103 PolarHBondContact O-N 3.4Š|
| 104 | Q | 39.5 | Very low | 41.1 | Very low | 175 Ų | 175 | 166.4 Ų | 166.4 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | G | 310 helix | trans | -82.7 | -16.3 | -172 | -153.1 | -176.7 | 48.4 | 0 | 0 | 114.3 | Q106 | Q104-Q106 VanDerWaalsContact C-N 3.32Å; Q104-Q106 PolarHBondContact O-N 2.9Å |
| 105 | H | 42.7 | Very low | 40.6 | Very low | 185 Ų | 185 | 167 Ų | 167 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | G | 310 helix | trans | -88.3 | 14 | -169.7 | -147.3 | 78.4 | 0 | 0 | 0 | 115.1 | | |
| 106 | Q | 42.2 | Very low | 40.3 | Very low | 183 Ų | 183 | 165.7 Ų | 165.7 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | G | 310 helix | trans | -120.8 | 7.9 | -174.3 | -151.7 | 172.9 | 79.3 | 0 | 0 | 114.7 | Q104 | Q104-Q106 VanDerWaalsContact C-N 3.32Å; Q104-Q106 PolarHBondContact O-N 2.9Å |
| 107 | Q | 43.8 | Very low | 40.5 | Very low | 183 Ų | 183 | 162.1 Ų | 162.1 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -128.7 | 61.1 | 176.5 | -68.8 | -165.2 | 18.5 | 0 | 0 | 114 | | |
| 108 | Q | 39 | Very low | 40.1 | Very low | 192 Ų | 192 | 166.6 Ų | 166.6 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | | | trans | -158.7 | 96 | 152.9 | -125.3 | 170.5 | 48.9 | 0 | 0 | 112.7 | | |
| 109 | Q | 39 | Very low | 39.5 | Very low | 198 Ų | 198 | 165.3 Ų | 165.3 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | | | trans | -163.8 | 76.1 | 164.8 | -132.4 | 173 | 108.4 | 0 | 0 | 112.3 | | |
| 110 | Q | 34.6 | Very low | 38.8 | Very low | 172 Ų | 172 | 164.8 Ų | 164.8 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -144.1 | 132 | 165.2 | -78.6 | -159.2 | 8.5 | 0 | 0 | 112.6 | | |
| 111 | H | 38.7 | Very low | 38.4 | Very low | 168 Ų | 168 | 165.3 Ų | 165.3 | 78% | 0.778 | 81% | 0.809 | S | S | * | * | | | trans | 71.9 | 153.1 | 162.6 | -65.8 | -58.4 | 0 | 0 | 0 | 120.4 | | |
| 112 | P | 46.4 | Very low | 38 | Very low | 120 Ų | 120 | 164.8 Ų | 164.8 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | | | trans | -123.2 | 175.8 | -142.3 | 42.9 | -30.3 | 0 | 0 | 0 | 115.8 | | |
| 113 | N | 31.5 | Very low | 37.4 | Very low | 155 Ų | 155 | 165 Ų | 165 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | | | trans | -110.5 | 131.8 | -177.8 | -176.5 | 55 | 0 | 0 | 0 | 113.4 | | |
| 114 | P | 43.5 | Very low | 36.7 | Very low | 107 Ų | 107 | 165 Ų | 165 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | | | trans | -78.3 | -178.6 | 167.7 | -16.5 | 33 | 0 | 0 | 0 | 114.7 | | |
| 115 | Q | 33.3 | Very low | 36.5 | Very low | 197 Ų | 197 | 162.4 Ų | 162.4 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | -96.8 | 161.4 | -167.7 | -64.6 | -178.1 | -91.4 | 0 | 0 | 116.5 | | |
| 116 | L | 35.7 | Very low | 36.4 | Very low | 163 Ų | 163 | 159.5 Ų | 159.5 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | -61.5 | 159.6 | 169.5 | -82.8 | 158.2 | 0 | 0 | 0 | 114.1 | | |
| 117 | P | 43.8 | Very low | 35.9 | Very low | 108 Ų | 108 | 158 Ų | 158 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | | | | -148.6 | 142.7 | 100.6 | 36.4 | -19.2 | 0 | 0 | 0 | 118.5 | | |
| 118 | H | 32.3 | Very low | 35.4 | Very low | 173 Ų | 173 | 156 Ų | 156 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | | | trans | 48.4 | 124.7 | 137 | -64.3 | 80.3 | 0 | 0 | 0 | 124.4 | | |
| 119 | Q | 30.4 | Very low | 35.2 | Very low | 153 Ų | 153 | 152.4 Ų | 152.4 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | | | trans | 173.5 | 121.9 | 131.2 | -90.8 | -68.2 | 83.4 | 0 | 0 | 106.5 | | |
| 120 | Q | 30.6 | Very low | 35.2 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | | | | 73.2 | 104.9 | 60.3 | -169.3 | -170.7 | 94.6 | 0 | 0 | 115.4 | | |
| 121 | Q | 32.4 | Very low | 35.9 | Very low | 177 Ų | 177 | 146.3 Ų | 146.3 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | | | | -164.2 | -177 | 129.6 | -158.4 | 135.8 | 31.6 | 0 | 0 | 111.1 | | |
| 122 | Q | 30.5 | Very low | 35.8 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | -126.6 | 147.5 | -160.5 | -49.5 | 144.5 | -44.7 | 0 | 0 | 112.7 | | |
| 123 | Q | 31.5 | Very low | 35.2 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | 169.6 | 161.4 | 133.2 | -99.7 | 128.1 | 38.5 | 0 | 0 | 108.7 | | |
| 124 | Q | 30.5 | Very low | 35.9 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | | | cis | 174.2 | 142.8 | -31.2 | 177.8 | 162.1 | -8 | 0 | 0 | 103.6 | | |
| 125 | V | 33.3 | Very low | 36 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | | | trans | -79.1 | 164 | -172.2 | -62.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 126 | P | 42.2 | Very low | 36.9 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | | -131.4 | 166.3 | 99.7 | 11.7 | 9.7 | 0 | 0 | 0 | 115.8 | | |
| 127 | L | 32.1 | Very low | 37.8 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | trans | -83.1 | 178.5 | 171.7 | -52.4 | 167.8 | 0 | 0 | 0 | 109.4 | | |
| 128 | L | 32.3 | Very low | 38.4 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | | | cis | -165.6 | 144.6 | 20 | -176.8 | 66.4 | 0 | 0 | 0 | 110 | | |
| 129 | S | 33.8 | Very low | 39.5 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | | | trans | 175 | 140.1 | 132.9 | -79.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 130 | T | 39.3 | Very low | 40.7 | Very low | 129 Ų | 129 | 123.4 Ų | 123.4 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | | | trans | -98.1 | 173.3 | 179.8 | 40.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 131 | P | 49.3 | Very low | 41.9 | Very low | 112 Ų | 112 | 118.6 Ų | 118.6 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | cis | -150.9 | 168.5 | 31.7 | 45.5 | -24.1 | 0 | 0 | 0 | 121.2 | | |
| 132 | V | 36.6 | Very low | 43.1 | Very low | 139 Ų | 139 | 113.1 Ų | 113.1 | 84% | 0.842 | 72% | 0.72 | S | S | * | * | | | trans | 22.8 | 134.3 | 164.3 | -113.4 | 0 | 0 | 0 | 0 | 122.8 | | |
| 133 | G | 34.3 | Very low | 44.4 | Very low | 78 Ų | 78 | 109 Ų | 109 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | | | trans | -172.7 | 77.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 134 | S | 46.2 | Very low | 45.6 | Very low | 107 Ų | 107 | 103.3 Ų | 103.3 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | | | trans | -75.9 | 133.1 | -172.2 | -52 | 0 | 0 | 0 | 0 | 114.2 | | |
| 135 | S | 44.8 | Very low | 46.9 | Very low | 110 Ų | 110 | 97.5 Ų | 97.5 | 77% | 0.769 | 68% | 0.676 | S | S | * | * | | | trans | -162.5 | 102.8 | 167.1 | -88.4 | 0 | 0 | 0 | 0 | 114.7 | S137 | S135-S137 VanDerWaalsContact C-N 3.32Å; S135-S137 PolarHBondContact O-N 3.28Å |
| 136 | P | 52.3 | Low | 47.9 | Very low | 125 Ų | 125 | 94.6 Ų | 94.6 | 81% | 0.812 | 66% | 0.664 | S | S | * | * | | | trans | -89.1 | 16.4 | 175.7 | 36 | -35.3 | 0 | 0 | 0 | 114.2 | | |
| 137 | S | 55.6 | Low | 48.4 | Very low | 82 Ų | 82 | 91.7 Ų | 91.7 | 57% | 0.573 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -83.2 | -34 | -167.5 | -166.4 | 0 | 0 | 0 | 0 | 114.8 | S135 A139 A140 A141 | S135-S137 VanDerWaalsContact C-N 3.32Å; S135-S137 PolarHBondContact O-N 3.28Å; S137-A139 PolarHBondContact O-N 3.26Å; S137-A140 PolarHBondContact O-N 3.01Å; S137-A141 PolarHBondContact O-N 2.7Å |
| 138 | A | 55.3 | Low | 49.2 | Very low | 81 Ų | 81 | 91.5 Ų | 91.5 | 67% | 0.669 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -60.9 | -41.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A141 A142 | A138-A141 PolarHBondContact O-N 3.21Å; A138-A142 WeakPolarHBondContact O-CB 3.38Å; A138-A142 PolarHBondContact O-N 3.46Å |
| 139 | A | 56.6 | Low | 50 | Low | 77 Ų | 77 | 94.6 Ų | 94.6 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.6 | -38.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S137 A142 A143 | S137-A139 PolarHBondContact O-N 3.26Å; A139-A142 PolarHBondContact O-N 2.8Å; A139-A143 WeakPolarHBondContact O-CB 3.14Å; A139-A143 PolarHBondContact O-N 3.23Å |
| 140 | A | 55.2 | Low | 50.5 | Low | 65 Ų | 65 | 98.1 Ų | 98.1 | 54% | 0.537 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -68.2 | -41 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S137 A143 A144 | S137-A140 PolarHBondContact O-N 3.01Å; A140-A143 PolarHBondContact O-N 2.89Å; A140-A144 WeakPolarHBondContact O-CB 3.3Å; A140-A144 PolarHBondContact O-N 3.33Å |
| 141 | A | 56.8 | Low | 50.8 | Low | 58 Ų | 58 | 96.6 Ų | 96.6 | 48% | 0.479 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -63.1 | -42.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S137 A138 A144 A145 | S137-A141 PolarHBondContact O-N 2.7Å; A138-A141 PolarHBondContact O-N 3.21Å; A141-A144 PolarHBondContact O-N 3.5Å; A141-A145 WeakPolarHBondContact O-CB 3.44Å; A141-A145 PolarHBondContact O-N 3.46Å |
| 142 | A | 57.6 | Low | 50.8 | Low | 62 Ų | 62 | 93.9 Ų | 93.9 | 51% | 0.512 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.5 | -42.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A138 A139 A145 A146 | A138-A142 WeakPolarHBondContact O-CB 3.38Å; A138-A142 PolarHBondContact O-N 3.46Å; A139-A142 PolarHBondContact O-N 2.8Å; A142-A145 PolarHBondContact O-N 3.32Å; A142-A146 WeakPolarHBondContact O-CB 3.49Å; A142-A146 PolarHBondContact O-N 3.48Å |
| 143 | A | 57.8 | Low | 51.5 | Low | 62 Ų | 62 | 92.5 Ų | 92.5 | 51% | 0.512 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.3 | -41.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A139 A140 A146 A147 | A139-A143 WeakPolarHBondContact O-CB 3.14Å; A139-A143 PolarHBondContact O-N 3.23Å; A140-A143 PolarHBondContact O-N 2.89Å; A143-A146 PolarHBondContact O-N 3.12Å; A143-A147 WeakPolarHBondContact O-CB 3.38Å; A143-A147 PolarHBondContact O-N 3Å |
| 144 | A | 56.8 | Low | 52.6 | Low | 56 Ų | 56 | 93.7 Ų | 93.7 | 46% | 0.463 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64 | -42.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A140 A141 A146 A147 Q148 | A140-A144 WeakPolarHBondContact O-CB 3.3Å; A140-A144 PolarHBondContact O-N 3.33Å; A141-A144 PolarHBondContact O-N 3.5Å; A144-A146 VanDerWaalsContact C-N 3.33Å; A144-A146 PolarHBondContact O-N 3.17Å; A144-A147 PolarHBondContact O-N 3.15Å; A144-Q148 WeakPolarHBondContact O-CG 3.35Å; A144-Q148 PolarHBondContact O-N 3.18Å |
| 145 | A | 56.2 | Low | 53.1 | Low | 52 Ų | 52 | 100 Ų | 100 | 43% | 0.43 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.1 | -35.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A141 A142 R149 | A141-A145 WeakPolarHBondContact O-CB 3.44Å; A141-A145 PolarHBondContact O-N 3.46Å; A142-A145 PolarHBondContact O-N 3.32Å; A145-R149 WeakPolarHBondContact O-CG 3.46Å; A145-R149 PolarHBondContact O-N 3.33Å |
| 146 | A | 54.8 | Low | 54.5 | Low | 57 Ų | 57 | 102.5 Ų | 102.5 | 47% | 0.471 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.5 | -41.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A142 A143 A144 Q148 R149 K150 | A142-A146 WeakPolarHBondContact O-CB 3.49Å; A142-A146 PolarHBondContact O-N 3.48Å; A143-A146 PolarHBondContact O-N 3.12Å; A144-A146 VanDerWaalsContact C-N 3.33Å; A144-A146 PolarHBondContact O-N 3.17Å; A146-Q148 VanDerWaalsContact C-N 3.35Å; A146-Q148 PolarHBondContact O-N 2.97Å; A146-R149 PolarHBondContact O-N 3.16Å; A146-K150 PolarHBondContact O-N 3.41Å; A146-K150 VanDerWaalsContact O-N 3.09Å |
| 147 | A | 51.8 | Low | 56.1 | Low | 64 Ų | 64 | 99.7 Ų | 99.7 | 53% | 0.529 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.5 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | A143 A144 R149 K150 | A143-A147 WeakPolarHBondContact O-CB 3.38Å; A143-A147 PolarHBondContact O-N 3Å; A144-A147 PolarHBondContact O-N 3.15Å; A147-R149 PolarHBondContact O-N 3.12Å; A147-K150 PolarHBondContact O-N 2.9Å |
| 148 | Q | 49 | Very low | 57.5 | Low | 148 Ų | 148 | 99.2 Ų | 99.2 | 69% | 0.692 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.7 | -29.5 | 173.3 | -72.4 | -63.4 | -48.5 | 0 | 0 | 113.2 | A144 A146 | A144-Q148 WeakPolarHBondContact O-CG 3.35Å; A144-Q148 PolarHBondContact O-N 3.18Å; A146-Q148 VanDerWaalsContact C-N 3.35Å; A146-Q148 PolarHBondContact O-N 2.97Å |
| 149 | R | 49.7 | Very low | 59.1 | Low | 205 Ų | 205 | 97.7 Ų | 97.7 | 77% | 0.774 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -79.1 | -28.8 | 176.3 | -70.3 | 176.5 | -176.6 | -156.7 | 0.1 | 113.1 | A145 A146 A147 S151 S152 | A145-R149 WeakPolarHBondContact O-CG 3.46Å; A145-R149 PolarHBondContact O-N 3.33Å; A146-R149 PolarHBondContact O-N 3.16Å; A147-R149 PolarHBondContact O-N 3.12Å; R149-S151 VanDerWaalsContact C-N 3.35Å; R149-S151 PolarHBondContact O-N 3.3Å; R149-S152 PolarHBondContact O-N 3.37Å |
| 150 | K | 44.1 | Very low | 60.7 | Low | 191 Ų | 191 | 95.4 Ų | 95.4 | 83% | 0.83 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -75.4 | -18.8 | -179 | -159.2 | 62.5 | 171.6 | -179.1 | 0 | 114.3 | A146 A147 | A146-K150 PolarHBondContact O-N 3.41Å; A146-K150 VanDerWaalsContact O-N 3.09Å; A147-K150 PolarHBondContact O-N 2.9Å |
| 151 | S | 46.5 | Very low | 62.4 | Low | 98 Ų | 98 | 99 Ų | 99 | 69% | 0.685 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -6.5 | 171.4 | -165.8 | 0 | 0 | 0 | 0 | 113.6 | R149 S153 | R149-S151 VanDerWaalsContact C-N 3.35Å; R149-S151 PolarHBondContact O-N 3.3Å; S151-S153 PolarHBondContact O-N 3.13Å |
| 152 | S | 48.5 | Very low | 64 | Low | 54 Ų | 54 | 98.7 Ų | 98.7 | 38% | 0.378 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.9 | 30.9 | -173 | -166.2 | 0 | 0 | 0 | 0 | 114.8 | R149 R156 | R149-S152 PolarHBondContact O-N 3.37Å; S152-R156 PolarHBondContact OG-NH1 3.18Å; S152-R156 VanDerWaalsContact OG-NH1 3.15Å; S152-R156 PolarHBondContact OG-NH2 2.89Å |
| 153 | S | 50.8 | Low | 65.8 | Low | 110 Ų | 110 | 97.7 Ų | 97.7 | 77% | 0.769 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | 5 | 179.9 | -162.6 | 0 | 0 | 0 | 0 | 114.3 | S151 R155 | S151-S153 PolarHBondContact O-N 3.13Å; S153-R155 PolarHBondContact O-N 3.01Å |
| 154 | S | 57.8 | Low | 67.6 | Low | 104 Ų | 104 | 96.6 Ų | 96.6 | 73% | 0.727 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -69.3 | 124.3 | 152.7 | -172.4 | 0 | 0 | 0 | 0 | 108 | R156 | S154-R156 PolarHBondContact O-N 3.35Š|
| 155 | R | 57.2 | Low | 69.4 | Low | 238 Ų | 238 | 94 Ų | 94 | 90% | 0.898 | 51% | 0.508 | S | S | * | . | | | trans | -61.5 | 101.9 | -170.6 | -76.7 | -174.8 | -86.7 | -140.5 | -2.7 | 110.7 | S153 | S153-R155 PolarHBondContact O-N 3.01Š|
| 156 | R | 74.9 | Confident | 71.3 | Confident | 164 Ų | 164 | 94.2 Ų | 94.2 | 62% | 0.619 | 50% | 0.502 | S | S | * | . | | | trans | -65.6 | 132 | 170.8 | -65.3 | 177.4 | -178.8 | 151.8 | 4.3 | 108.1 | S152 S154 | S152-R156 PolarHBondContact OG-NH1 3.18Å; S152-R156 VanDerWaalsContact OG-NH1 3.15Å; S152-R156 PolarHBondContact OG-NH2 2.89Å; S154-R156 PolarHBondContact O-N 3.35Å |
| 157 | N | 85.6 | Confident | 73.2 | Confident | 66 Ų | 66 | 91.6 Ų | 91.6 | 35% | 0.353 | 48% | 0.481 | S | S | . | . | B | Isolated β-bridge | trans | -67.3 | 161.5 | 174.5 | -60.7 | -51 | 0 | 0 | 0 | 109.5 | W159 G160 M162 | N157-W159 HydrophobicContact CB-CD2 3.57Å; N157-W159 HydrophobicContact CB-CE3 3.95Å; N157-W159 HydrophobicContact CB-CG 4.1Å; N157-W159 HydrophobicContact CB-CH2 3.87Å; N157-W159 HydrophobicContact CB-CZ2 3.49Å; N157-W159 VanDerWaalsContact CB-CZ2 3.49Å; N157-W159 HydrophobicContact CB-CZ3 4.09Å; N157-W159 VanDerWaalsContact CG-CZ2 3.4Å; N157-W159 PolarHBondContact O-N 3.18Å; N157-G160 PolarHBondContact N-O 3.01Å; N157-G160 PolarHBondContact O-N 3.36Å; N157-M162 PolarHBondContact ND2-O 3.28Å; N157-M162 VanDerWaalsContact ND2-O 3.09Å |
| 158 | A | 85.4 | Confident | 75.4 | Confident | 71 Ų | 71 | 88.6 Ų | 88.6 | 59% | 0.587 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -15.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y195 | A158-Y195 HydrophobicContact CB-CD1 4.49Å; A158-Y195 HydrophobicContact CB-CD2 3.54Å; A158-Y195 HydrophobicContact CB-CE1 4.29Å; A158-Y195 HydrophobicContact CB-CE2 3.29Å; A158-Y195 HydrophobicContact CB-CG 4.15Å |
| 159 | W | 87.3 | Confident | 77.6 | Confident | 50 Ų | 50 | 82.4 Ų | 82.4 | 19% | 0.189 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 9.7 | 172.1 | 59.4 | 83.9 | 0 | 0 | 0 | 114.4 | N157 M162 Y164 L167 V193 Y195 F196 | N157-W159 HydrophobicContact CB-CD2 3.57Å; N157-W159 HydrophobicContact CB-CE3 3.95Å; N157-W159 HydrophobicContact CB-CG 4.1Å; N157-W159 HydrophobicContact CB-CH2 3.87Å; N157-W159 HydrophobicContact CB-CZ2 3.49Å; N157-W159 VanDerWaalsContact CB-CZ2 3.49Å; N157-W159 HydrophobicContact CB-CZ3 4.09Å; N157-W159 VanDerWaalsContact CG-CZ2 3.4Å; N157-W159 PolarHBondContact O-N 3.18Å; W159-M162 PolarHBondContact NE1-O 2.82Å; W159-Y164 HydrophobicContact CH2-CD2 4.39Å; W159-Y164 AromaticContact CH2-CE1 3.96Å; W159-Y164 HydrophobicContact CH2-CE1 3.96Å; W159-Y164 AromaticContact CH2-CE2 3.61Å; W159-Y164 HydrophobicContact CH2-CE2 3.61Å; W159-Y164 AromaticContact CH2-CZ 3.37Å; W159-Y164 WeakPolarHBondContact CH2-OH 3.38Å; W159-Y164 HydrophobicContact CZ2-CD1 4.26Å; W159-Y164 HydrophobicContact CZ2-CD2 4.14Å; W159-Y164 AromaticContact CZ2-CE1 3.95Å; W159-Y164 HydrophobicContact CZ2-CE1 3.95Å; W159-Y164 AromaticContact CZ2-CE2 3.8Å; W159-Y164 HydrophobicContact CZ2-CE2 3.8Å; W159-Y164 HydrophobicContact CZ2-CG 4.37Å; W159-Y164 AromaticContact CZ2-CZ 3.72Å; W159-L167 HydrophobicContact CG-CD1 4.31Å; W159-V193 HydrophobicContact CB-CG1 3.49Å; W159-V193 VanDerWaalsContact CB-CG1 3.49Å; W159-V193 HydrophobicContact CG-CG1 4.29Å; W159-Y195 HydrophobicContact CB-CG 4.42Å; W159-Y195 AromaticContact CE3-CD1 3.73Å; W159-Y195 HydrophobicContact CE3-CD1 3.73Å; W159-Y195 AromaticContact CE3-CE1 3.91Å; W159-Y195 HydrophobicContact CE3-CE1 3.91Å; W159-Y195 HydrophobicContact CE3-CG 4.48Å; W159-Y195 HydrophobicContact CZ3-CD1 4.44Å; W159-Y195 HydrophobicContact CZ3-CE1 4.19Å; W159-F196 HydrophobicContact CB-CE2 4.49Å; W159-F196 AromaticContact CD2-CE2 3.99Å; W159-F196 HydrophobicContact CD2-CE2 3.99Å; W159-F196 HydrophobicContact CD2-CZ 4.05Å; W159-F196 AromaticContact CE3-CE2 3.95Å; W159-F196 HydrophobicContact CE3-CE2 3.95Å; W159-F196 AromaticContact CE3-CZ 3.58Å; W159-F196 HydrophobicContact CE3-CZ 3.58Å; W159-F196 HydrophobicContact CG-CE2 4.26Å; W159-F196 HydrophobicContact CH2-CZ 4.44Å; W159-F196 AromaticContact CZ3-CZ 3.8Å; W159-F196 HydrophobicContact CZ3-CZ 3.8Å |
| 160 | G | 90.4 | Very high | 79.8 | Confident | 28 Ų | 28 | 77.1 Ų | 77.1 | 29% | 0.289 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | 109.2 | -147.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | N157 | N157-G160 PolarHBondContact N-O 3.01Å; N157-G160 PolarHBondContact O-N 3.36Å |
| 161 | N | 91.4 | Very high | 82.3 | Confident | 140 Ų | 140 | 68 Ų | 68 | 75% | 0.749 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -95.5 | -10.5 | -172 | 64.4 | -29.3 | 0 | 0 | 0 | 115.1 | | |
| 162 | M | 91.2 | Very high | 84.7 | Confident | 52 Ų | 52 | 63.3 Ų | 63.3 | 26% | 0.256 | 34% | 0.338 | S | S | . | . | | | trans | -69.9 | 140.3 | 173.1 | -101.8 | 100.4 | 66.4 | 0 | 0 | 111.5 | N157 W159 D166 L167 K170 | N157-M162 PolarHBondContact ND2-O 3.28Å; N157-M162 VanDerWaalsContact ND2-O 3.09Å; W159-M162 PolarHBondContact NE1-O 2.82Å; M162-D166 HydrophobicContact CB-CB 4.15Å; M162-D166 HydrophobicContact CG-CB 3.56Å; M162-L167 HydrophobicContact CB-CD2 3.86Å; M162-L167 HydrophobicContact CB-CG 4.04Å; M162-L167 HydrophobicContact CE-CD2 3.7Å; M162-L167 HydrophobicContact CG-CD2 4.2Å; M162-K170 HydrophobicContact CE-CD 4.19Å; M162-K170 HydrophobicContact SD-CD 4.48Å; M162-K170 PolarHBondContact SD-NZ 2.89Å |
| 163 | S | 94.4 | Very high | 86.9 | Confident | 42 Ų | 42 | 65.9 Ų | 65.9 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | | | trans | -75.1 | 167 | 163.3 | 74.6 | 0 | 0 | 0 | 0 | 111.2 | A165 D166 L167 | S163-A165 PolarHBondContact O-N 2.83Å; S163-A165 PolarHBondContact OG-N 3.14Å; S163-D166 VanDerWaalsContact CB-OD2 3.28Å; S163-D166 WeakPolarHBondContact CB-OD2 3.47Å; S163-D166 PolarHBondContact N-OD2 2.89Å; S163-D166 PolarHBondContact O-N 3.26Å; S163-D166 VanDerWaalsContact O-N 3.16Å; S163-D166 PolarHBondContact OG-N 3.24Å; S163-D166 PolarHBondContact OG-OD2 2.94Å; S163-L167 PolarHBondContact O-N 2.92Å; S163-L167 VanDerWaalsContact O-N 3.09Å |
| 164 | Y | 95.4 | Very high | 89.1 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 15% | 0.153 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.3 | -39.6 | 171.8 | -79.7 | -63 | 0 | 0 | 0 | 112.1 | W159 D166 L167 I168 F196 I212 | W159-Y164 HydrophobicContact CH2-CD2 4.39Å; W159-Y164 AromaticContact CH2-CE1 3.96Å; W159-Y164 HydrophobicContact CH2-CE1 3.96Å; W159-Y164 AromaticContact CH2-CE2 3.61Å; W159-Y164 HydrophobicContact CH2-CE2 3.61Å; W159-Y164 AromaticContact CH2-CZ 3.37Å; W159-Y164 WeakPolarHBondContact CH2-OH 3.38Å; W159-Y164 HydrophobicContact CZ2-CD1 4.26Å; W159-Y164 HydrophobicContact CZ2-CD2 4.14Å; W159-Y164 AromaticContact CZ2-CE1 3.95Å; W159-Y164 HydrophobicContact CZ2-CE1 3.95Å; W159-Y164 AromaticContact CZ2-CE2 3.8Å; W159-Y164 HydrophobicContact CZ2-CE2 3.8Å; W159-Y164 HydrophobicContact CZ2-CG 4.37Å; W159-Y164 AromaticContact CZ2-CZ 3.72Å; Y164-D166 VanDerWaalsContact C-N 3.33Å; Y164-D166 PolarHBondContact O-N 2.9Å; Y164-L167 PolarHBondContact O-N 2.91Å; Y164-I168 WeakPolarHBondContact O-CD1 3.42Å; Y164-I168 WeakPolarHBondContact O-CG1 3.19Å; Y164-I168 PolarHBondContact O-N 2.97Å; Y164-F196 HydrophobicContact CE1-CE2 4.34Å; Y164-F196 AromaticContact CE1-CZ 3.81Å; Y164-F196 HydrophobicContact CE1-CZ 3.81Å; Y164-I212 HydrophobicContact CD1-CD1 3.59Å; Y164-I212 HydrophobicContact CD1-CG1 4.47Å; Y164-I212 HydrophobicContact CE1-CD1 4.21Å; Y164-I212 HydrophobicContact CG-CD1 4.35Å |
| 165 | A | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | S163 L167 I168 T169 N215 F222 | S163-A165 PolarHBondContact O-N 2.83Å; S163-A165 PolarHBondContact OG-N 3.14Å; A165-L167 VanDerWaalsContact C-N 3.35Å; A165-L167 PolarHBondContact O-N 3.24Å; A165-I168 PolarHBondContact O-N 3.45Å; A165-T169 PolarHBondContact O-N 3.47Å; A165-T169 PolarHBondContact O-OG1 2.84Å; A165-T169 VanDerWaalsContact O-OG1 3.05Å; A165-N215 PolarHBondContact N-OD1 3.09Å; A165-F222 HydrophobicContact CB-CE2 4.15Å; A165-F222 HydrophobicContact CB-CZ 4.2Å; A165-F222 WeakPolarHBondContact O-CZ 3.14Å |
| 166 | D | 95.4 | Very high | 92.5 | Very high | 57 Ų | 57 | 54.5 Ų | 54.5 | 31% | 0.305 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -72.3 | -30.5 | -179.8 | -47.7 | -46 | 0 | 0 | 0 | 112.2 | M162 S163 Y164 K170 R221 | M162-D166 HydrophobicContact CB-CB 4.15Å; M162-D166 HydrophobicContact CG-CB 3.56Å; S163-D166 VanDerWaalsContact CB-OD2 3.28Å; S163-D166 WeakPolarHBondContact CB-OD2 3.47Å; S163-D166 PolarHBondContact N-OD2 2.89Å; S163-D166 PolarHBondContact O-N 3.26Å; S163-D166 VanDerWaalsContact O-N 3.16Å; S163-D166 PolarHBondContact OG-N 3.24Å; S163-D166 PolarHBondContact OG-OD2 2.94Å; Y164-D166 VanDerWaalsContact C-N 3.33Å; Y164-D166 PolarHBondContact O-N 2.9Å; D166-K170 WeakPolarHBondContact O-CG 3.4Å; D166-K170 PolarHBondContact O-N 3.45Å; D166-K170 VanDerWaalsContact O-N 3.13Å; D166-R221 IonicContact OD1-NH1 3.96Å; D166-R221 IonicContact OD1-NH2 3.79Å |
| 167 | L | 95.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68 | -42.8 | 169.5 | -65.9 | -179.8 | 0 | 0 | 0 | 111.6 | W159 M162 S163 Y164 A165 T169 K170 A171 W188 M189 V193 F196 | W159-L167 HydrophobicContact CG-CD1 4.31Å; M162-L167 HydrophobicContact CB-CD2 3.86Å; M162-L167 HydrophobicContact CB-CG 4.04Å; M162-L167 HydrophobicContact CE-CD2 3.7Å; M162-L167 HydrophobicContact CG-CD2 4.2Å; S163-L167 PolarHBondContact O-N 2.92Å; S163-L167 VanDerWaalsContact O-N 3.09Å; Y164-L167 PolarHBondContact O-N 2.91Å; A165-L167 VanDerWaalsContact C-N 3.35Å; A165-L167 PolarHBondContact O-N 3.24Å; L167-T169 VanDerWaalsContact C-N 3.35Å; L167-K170 PolarHBondContact O-N 2.87Å; L167-A171 WeakPolarHBondContact O-CB 3.17Å; L167-A171 PolarHBondContact O-N 3.39Å; L167-W188 HydrophobicContact CB-CZ3 4.28Å; L167-W188 HydrophobicContact CD2-CZ3 4.46Å; L167-W188 WeakPolarHBondContact O-CZ3 3.42Å; L167-M189 HydrophobicContact CB-CE 3.51Å; L167-M189 HydrophobicContact CB-SD 3.74Å; L167-M189 HydrophobicContact CD1-SD 3.91Å; L167-M189 HydrophobicContact CG-SD 4.44Å; L167-V193 HydrophobicContact CD1-CG2 4.2Å; L167-V193 HydrophobicContact CD2-CG2 3.88Å; L167-F196 HydrophobicContact CD1-CE2 4.45Å |
| 168 | I | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 176.2 | -67.4 | 159.6 | 0 | 0 | 0 | 110.6 | Y164 A165 A171 I172 I185 M189 I212 N215 L216 F222 | Y164-I168 WeakPolarHBondContact O-CD1 3.42Å; Y164-I168 WeakPolarHBondContact O-CG1 3.19Å; Y164-I168 PolarHBondContact O-N 2.97Å; A165-I168 PolarHBondContact O-N 3.45Å; I168-A171 WeakPolarHBondContact O-CB 3.48Å; I168-A171 PolarHBondContact O-N 3.36Å; I168-I172 HydrophobicContact CG2-CD1 3.93Å; I168-I172 WeakPolarHBondContact O-CG1 3.34Å; I168-I172 PolarHBondContact O-N 2.93Å; I168-I185 HydrophobicContact CG1-CG2 4.29Å; I168-M189 HydrophobicContact CB-CE 4.49Å; I168-M189 HydrophobicContact CG1-CE 3.77Å; I168-I212 HydrophobicContact CD1-CD1 3.93Å; I168-I212 HydrophobicContact CD1-CG2 4.23Å; I168-I212 HydrophobicContact CG1-CD1 3.88Å; I168-I212 HydrophobicContact CG1-CG2 4.4Å; I168-N215 HydrophobicContact CD1-CB 3.59Å; I168-L216 HydrophobicContact CD1-CD2 4.46Å; I168-L216 HydrophobicContact CD1-CG 4.2Å; I168-L216 HydrophobicContact CG2-CD2 3.58Å; I168-L216 HydrophobicContact CG2-CG 4.43Å; I168-F222 HydrophobicContact CB-CE1 4.1Å; I168-F222 HydrophobicContact CB-CE2 4.44Å; I168-F222 HydrophobicContact CB-CZ 3.83Å; I168-F222 HydrophobicContact CG2-CD1 3.9Å; I168-F222 HydrophobicContact CG2-CE1 3.46Å; I168-F222 VanDerWaalsContact CG2-CE1 3.46Å; I168-F222 HydrophobicContact CG2-CE2 4.14Å; I168-F222 HydrophobicContact CG2-CG 4.42Å; I168-F222 HydrophobicContact CG2-CZ 3.6Å |
| 169 | T | 96.3 | Very high | 94 | Very high | 18 Ų | 18 | 53.5 Ų | 53.5 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.1 | -53.2 | 173.3 | -65.4 | 0 | 0 | 0 | 0 | 110.6 | A165 L167 A171 I172 E173 L238 | A165-T169 PolarHBondContact O-N 3.47Å; A165-T169 PolarHBondContact O-OG1 2.84Å; A165-T169 VanDerWaalsContact O-OG1 3.05Å; L167-T169 VanDerWaalsContact C-N 3.35Å; T169-A171 VanDerWaalsContact C-N 3.31Å; T169-A171 PolarHBondContact O-N 3.29Å; T169-I172 PolarHBondContact O-N 3.21Å; T169-E173 HydrophobicContact CG2-CG 4.33Å; T169-E173 WeakPolarHBondContact CG2-OE1 3.41Å; T169-E173 WeakPolarHBondContact O-CB 3.48Å; T169-E173 WeakPolarHBondContact O-CG 3.41Å; T169-E173 PolarHBondContact O-N 2.98Å; T169-L238 HydrophobicContact CG2-CD1 4.06Å; T169-L238 HydrophobicContact CG2-CD2 4.04Å |
| 170 | K | 95.8 | Very high | 94.4 | Very high | 94 Ų | 94 | 51.9 Ų | 51.9 | 41% | 0.409 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.7 | -32.1 | 178 | -73.6 | 179.9 | 175 | -177.8 | 0 | 113.9 | M162 D166 L167 S174 W188 | M162-K170 HydrophobicContact CE-CD 4.19Å; M162-K170 HydrophobicContact SD-CD 4.48Å; M162-K170 PolarHBondContact SD-NZ 2.89Å; D166-K170 WeakPolarHBondContact O-CG 3.4Å; D166-K170 PolarHBondContact O-N 3.45Å; D166-K170 VanDerWaalsContact O-N 3.13Å; L167-K170 PolarHBondContact O-N 2.87Å; K170-S174 WeakPolarHBondContact O-CB 3.23Å; K170-S174 PolarHBondContact O-N 3.06Å; K170-S174 PolarHBondContact O-OG 3.47Å; K170-W188 HydrophobicContact CB-CH2 3.75Å; K170-W188 HydrophobicContact CB-CZ2 3.89Å |
| 171 | A | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.6 | -52.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L167 I168 T169 S174 L180 W188 | L167-A171 WeakPolarHBondContact O-CB 3.17Å; L167-A171 PolarHBondContact O-N 3.39Å; I168-A171 WeakPolarHBondContact O-CB 3.48Å; I168-A171 PolarHBondContact O-N 3.36Å; T169-A171 VanDerWaalsContact C-N 3.31Å; T169-A171 PolarHBondContact O-N 3.29Å; A171-S174 PolarHBondContact O-N 3.4Å; A171-S174 PolarHBondContact O-OG 3.3Å; A171-L180 HydrophobicContact CB-CD1 4Å; A171-L180 VanDerWaalsContact O-CD1 3.32Å; A171-L180 WeakPolarHBondContact O-CD1 3.44Å; A171-W188 VanDerWaalsContact CA-CE2 3.49Å; A171-W188 HydrophobicContact CB-CB 4.12Å; A171-W188 HydrophobicContact CB-CD2 3.46Å; A171-W188 VanDerWaalsContact CB-CD2 3.46Å; A171-W188 HydrophobicContact CB-CE3 3.61Å; A171-W188 HydrophobicContact CB-CG 3.68Å; A171-W188 HydrophobicContact CB-CZ3 4.21Å |
| 172 | I | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.5 | -44 | -178.8 | -63.1 | 170 | 0 | 0 | 0 | 111 | I168 T169 S174 S175 N178 F222 W236 L238 | I168-I172 HydrophobicContact CG2-CD1 3.93Å; I168-I172 WeakPolarHBondContact O-CG1 3.34Å; I168-I172 PolarHBondContact O-N 2.93Å; T169-I172 PolarHBondContact O-N 3.21Å; I172-S174 VanDerWaalsContact C-N 3.26Å; I172-S174 PolarHBondContact O-N 3.3Å; I172-S175 WeakPolarHBondContact O-CB 3.45Å; I172-S175 PolarHBondContact O-N 3.41Å; I172-S175 VanDerWaalsContact O-N 3.09Å; I172-S175 PolarHBondContact O-OG 3.29Å; I172-N178 VanDerWaalsContact CG2-C 3.48Å; I172-N178 WeakPolarHBondContact CG2-O 3.48Å; I172-F222 HydrophobicContact CD1-CD1 3.96Å; I172-F222 HydrophobicContact CD1-CE1 4.31Å; I172-W236 HydrophobicContact CD1-CB 4.46Å; I172-L238 HydrophobicContact CB-CD1 4Å; I172-L238 HydrophobicContact CB-CG 4.17Å; I172-L238 HydrophobicContact CD1-CG 4.35Å; I172-L238 HydrophobicContact CG2-CB 4.39Å; I172-L238 HydrophobicContact CG2-CD1 3.89Å; I172-L238 HydrophobicContact CG2-CG 3.92Å |
| 173 | E | 95.7 | Very high | 95.1 | Very high | 108 Ų | 108 | 47 Ų | 47 | 51% | 0.505 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.1 | -29.9 | 175.7 | -72.1 | 171.1 | 163.6 | 0 | 0 | 113.4 | T169 S175 L238 | T169-E173 HydrophobicContact CG2-CG 4.33Å; T169-E173 WeakPolarHBondContact CG2-OE1 3.41Å; T169-E173 WeakPolarHBondContact O-CB 3.48Å; T169-E173 WeakPolarHBondContact O-CG 3.41Å; T169-E173 PolarHBondContact O-N 2.98Å; E173-S175 VanDerWaalsContact C-N 3.26Å; E173-S175 PolarHBondContact O-N 3.18Å; E173-L238 HydrophobicContact CG-CD1 3.59Å |
| 174 | S | 95.5 | Very high | 95.1 | Very high | 72 Ų | 72 | 48.6 Ų | 48.6 | 50% | 0.503 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -10.2 | 177 | 75.6 | 0 | 0 | 0 | 0 | 114.2 | K170 A171 I172 W188 | K170-S174 WeakPolarHBondContact O-CB 3.23Å; K170-S174 PolarHBondContact O-N 3.06Å; K170-S174 PolarHBondContact O-OG 3.47Å; A171-S174 PolarHBondContact O-N 3.4Å; A171-S174 PolarHBondContact O-OG 3.3Å; I172-S174 VanDerWaalsContact C-N 3.26Å; I172-S174 PolarHBondContact O-N 3.3Å; S174-W188 VanDerWaalsContact OG-CD1 3.27Å; S174-W188 PolarHBondContact OG-NE1 2.82Å |
| 175 | S | 94.6 | Very high | 95.1 | Very high | 10 Ų | 10 | 46.7 Ų | 46.7 | 7% | 0.07 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -84.8 | 134.8 | 174.3 | 73.8 | 0 | 0 | 0 | 0 | 110.4 | I172 E173 E177 N178 R179 | I172-S175 WeakPolarHBondContact O-CB 3.45Å; I172-S175 PolarHBondContact O-N 3.41Å; I172-S175 VanDerWaalsContact O-N 3.09Å; I172-S175 PolarHBondContact O-OG 3.29Å; E173-S175 VanDerWaalsContact C-N 3.26Å; E173-S175 PolarHBondContact O-N 3.18Å; S175-E177 PolarHBondContact O-N 3.17Å; S175-E177 VanDerWaalsContact O-N 3.15Å; S175-N178 PolarHBondContact O-N 3.32Å; S175-N178 WeakPolarHBondContact OG-CA 3.45Å; S175-N178 PolarHBondContact OG-N 3.49Å; S175-N178 VanDerWaalsContact OG-N 3.16Å; S175-R179 PolarHBondContact OG-N 2.96Å; S175-R179 PolarHBondContact OG-O 3Å |
| 176 | P | 92 | Very high | 95.1 | Very high | 131 Ų | 131 | 48.3 Ų | 48.3 | 85% | 0.851 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -27.6 | -178.3 | 24.9 | -33.8 | 0 | 0 | 0 | 112.4 | | |
| 177 | E | 90.8 | Very high | 95.1 | Very high | 107 Ų | 107 | 48.9 Ų | 48.9 | 50% | 0.5 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -1 | 180 | -54.5 | -169.9 | 133.6 | 0 | 0 | 113.7 | S175 R179 | S175-E177 PolarHBondContact O-N 3.17Å; S175-E177 VanDerWaalsContact O-N 3.15Å; E177-R179 HydrophobicContact CB-CG 3.68Å; E177-R179 PolarHBondContact O-N 2.96Å; E177-R179 IonicContact OE1-CZ 3.72Å; E177-R179 IonicContact OE1-NE 3.91Å; E177-R179 IonicContact OE1-NH2 2.78Å; E177-R179 PolarHBondContact OE1-NH2 2.94Å; E177-R179 IonicContact OE2-CZ 3.3Å; E177-R179 VanDerWaalsContact OE2-CZ 3.3Å; E177-R179 IonicContact OE2-NE 2.75Å; E177-R179 PolarHBondContact OE2-NE 2.79Å; E177-R179 IonicContact OE2-NH2 3.03Å; E177-R179 PolarHBondContact OE2-NH2 3.03Å |
| 178 | N | 93.7 | Very high | 95.1 | Very high | 86 Ų | 86 | 50.8 Ų | 50.8 | 46% | 0.46 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 52.7 | 31.7 | -174.4 | -71.6 | -103.6 | 0 | 0 | 0 | 114 | I172 S175 | I172-N178 VanDerWaalsContact CG2-C 3.48Å; I172-N178 WeakPolarHBondContact CG2-O 3.48Å; S175-N178 PolarHBondContact O-N 3.32Å; S175-N178 WeakPolarHBondContact OG-CA 3.45Å; S175-N178 PolarHBondContact OG-N 3.49Å; S175-N178 VanDerWaalsContact OG-N 3.16Å |
| 179 | R | 94 | Very high | 95 | Very high | 86 Ų | 86 | 50.8 Ų | 50.8 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 138.3 | 179 | 65 | -172.2 | 178.4 | -164.3 | -3.6 | 110.3 | S175 E177 W235 W236 M237 | S175-R179 PolarHBondContact OG-N 2.96Å; S175-R179 PolarHBondContact OG-O 3Å; E177-R179 HydrophobicContact CB-CG 3.68Å; E177-R179 PolarHBondContact O-N 2.96Å; E177-R179 IonicContact OE1-CZ 3.72Å; E177-R179 IonicContact OE1-NE 3.91Å; E177-R179 IonicContact OE1-NH2 2.78Å; E177-R179 PolarHBondContact OE1-NH2 2.94Å; E177-R179 IonicContact OE2-CZ 3.3Å; E177-R179 VanDerWaalsContact OE2-CZ 3.3Å; E177-R179 IonicContact OE2-NE 2.75Å; E177-R179 PolarHBondContact OE2-NE 2.79Å; E177-R179 IonicContact OE2-NH2 3.03Å; E177-R179 PolarHBondContact OE2-NH2 3.03Å; R179-W235 HydrophobicContact CB-CB 4.44Å; R179-W235 HydrophobicContact CB-CE3 4.17Å; R179-W235 HydrophobicContact CG-CD2 4.23Å; R179-W235 HydrophobicContact CG-CE3 3.87Å; R179-W235 HydrophobicContact CG-CZ3 4.27Å; R179-W236 WeakPolarHBondContact CA-O 3.19Å; R179-M237 HydrophobicContact CB-CB 4.42Å; R179-M237 HydrophobicContact CB-CG 3.65Å; R179-M237 HydrophobicContact CB-SD 3.83Å |
| 180 | L | 96.1 | Very high | 94.9 | Very high | 16 Ų | 16 | 51.5 Ų | 51.5 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 144.3 | 174.9 | -71.8 | -177.2 | 0 | 0 | 0 | 111.1 | A171 Q184 I185 W236 | A171-L180 HydrophobicContact CB-CD1 4Å; A171-L180 VanDerWaalsContact O-CD1 3.32Å; A171-L180 WeakPolarHBondContact O-CD1 3.44Å; L180-Q184 HydrophobicContact CB-CB 4.26Å; L180-Q184 HydrophobicContact CD2-CB 3.9Å; L180-Q184 HydrophobicContact CG-CB 4.48Å; L180-I185 HydrophobicContact CB-CD1 4.34Å; L180-I185 HydrophobicContact CB-CG1 3.77Å; L180-I185 HydrophobicContact CD1-CG1 4.05Å; L180-W236 PolarHBondContact N-O 3.01Å; L180-W236 WeakPolarHBondContact O-CB 3.5Å; L180-W236 PolarHBondContact O-N 2.88Å |
| 181 | T | 96.1 | Very high | 94.8 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 7% | 0.067 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 159.7 | 165.3 | 62.4 | 0 | 0 | 0 | 0 | 110.9 | S183 Q184 I185 S233 W235 | T181-S183 PolarHBondContact O-N 3.04Å; T181-Q184 PolarHBondContact O-N 2.85Å; T181-Q184 VanDerWaalsContact O-N 3.11Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.39Å; T181-Q184 PolarHBondContact OG1-N 3.03Å; T181-Q184 PolarHBondContact OG1-OE1 2.78Å; T181-I185 PolarHBondContact O-N 3.41Å; T181-I185 VanDerWaalsContact O-N 3.1Å; T181-S233 WeakPolarHBondContact CB-OG 3.12Å; T181-S233 WeakPolarHBondContact CG2-OG 3.5Å; T181-W235 HydrophobicContact CG2-CD2 4.29Å; T181-W235 HydrophobicContact CG2-CE3 3.82Å; T181-W235 HydrophobicContact CG2-CH2 4.18Å; T181-W235 HydrophobicContact CG2-CZ3 3.78Å |
| 182 | L | 95.4 | Very high | 94.6 | Very high | 43 Ų | 43 | 57.8 Ų | 57.8 | 23% | 0.225 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.5 | -35.3 | 177.7 | -179.9 | 60.9 | 0 | 0 | 0 | 113.1 | I185 Y186 I212 R213 L216 | L182-I185 PolarHBondContact O-N 2.75Å; L182-Y186 HydrophobicContact CD1-CE1 3.85Å; L182-Y186 HydrophobicContact CD1-CE2 4.48Å; L182-Y186 HydrophobicContact CG-CE1 4.26Å; L182-Y186 HydrophobicContact CG-CE2 4Å; L182-Y186 WeakPolarHBondContact O-CD2 3.49Å; L182-Y186 PolarHBondContact O-N 3.27Å; L182-I212 HydrophobicContact CD1-CG2 4.26Å; L182-R213 HydrophobicContact CD1-CG 3.98Å; L182-R213 HydrophobicContact CD2-CG 3.94Å; L182-L216 HydrophobicContact CD1-CD1 3.64Å |
| 183 | S | 94.3 | Very high | 94.4 | Very high | 65 Ų | 65 | 58.3 Ų | 58.3 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.9 | -47.2 | 176.2 | -162.3 | 0 | 0 | 0 | 0 | 111.7 | T181 I185 Y186 D187 | T181-S183 PolarHBondContact O-N 3.04Å; S183-I185 PolarHBondContact O-N 3.17Å; S183-Y186 WeakPolarHBondContact O-CA 3.39Å; S183-Y186 WeakPolarHBondContact O-CB 3.41Å; S183-Y186 PolarHBondContact O-N 2.71Å; S183-D187 VanDerWaalsContact O-CG 3.28Å; S183-D187 PolarHBondContact O-N 3.11Å |
| 184 | Q | 95.5 | Very high | 94.2 | Very high | 74 Ų | 74 | 57.8 Ų | 57.8 | 35% | 0.346 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63 | -29.2 | 179.3 | -67.3 | 163.3 | -59.4 | 0 | 0 | 112.4 | L180 T181 D187 W188 | L180-Q184 HydrophobicContact CB-CB 4.26Å; L180-Q184 HydrophobicContact CD2-CB 3.9Å; L180-Q184 HydrophobicContact CG-CB 4.48Å; T181-Q184 PolarHBondContact O-N 2.85Å; T181-Q184 VanDerWaalsContact O-N 3.11Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.39Å; T181-Q184 PolarHBondContact OG1-N 3.03Å; T181-Q184 PolarHBondContact OG1-OE1 2.78Å; Q184-D187 PolarHBondContact O-N 3.04Å; Q184-W188 VanDerWaalsContact O-CB 3.31Å; Q184-W188 WeakPolarHBondContact O-CB 3.43Å; Q184-W188 PolarHBondContact O-N 3.47Å |
| 185 | I | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 171.4 | -63.4 | 171.3 | 0 | 0 | 0 | 110.5 | I168 L180 T181 L182 S183 W188 M189 I212 L216 W236 | I168-I185 HydrophobicContact CG1-CG2 4.29Å; L180-I185 HydrophobicContact CB-CD1 4.34Å; L180-I185 HydrophobicContact CB-CG1 3.77Å; L180-I185 HydrophobicContact CD1-CG1 4.05Å; T181-I185 PolarHBondContact O-N 3.41Å; T181-I185 VanDerWaalsContact O-N 3.1Å; L182-I185 PolarHBondContact O-N 2.75Å; S183-I185 PolarHBondContact O-N 3.17Å; I185-W188 PolarHBondContact O-N 3.3Å; I185-M189 HydrophobicContact CG2-CE 4.05Å; I185-M189 WeakPolarHBondContact O-CG 3.39Å; I185-M189 PolarHBondContact O-N 3.02Å; I185-I212 HydrophobicContact CG2-CG2 3.8Å; I185-L216 HydrophobicContact CD1-CD1 4.1Å; I185-L216 HydrophobicContact CD1-CD2 4.13Å; I185-W236 HydrophobicContact CD1-CB 4.03Å; I185-W236 HydrophobicContact CD1-CG 4.38Å |
| 186 | Y | 95 | Very high | 93.6 | Very high | 34 Ų | 34 | 58.5 Ų | 58.5 | 13% | 0.133 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 172.4 | -54.4 | -37.3 | 0 | 0 | 0 | 111.3 | L182 S183 W188 M189 V190 W208 K209 I212 R213 | L182-Y186 HydrophobicContact CD1-CE1 3.85Å; L182-Y186 HydrophobicContact CD1-CE2 4.48Å; L182-Y186 HydrophobicContact CG-CE1 4.26Å; L182-Y186 HydrophobicContact CG-CE2 4Å; L182-Y186 WeakPolarHBondContact O-CD2 3.49Å; L182-Y186 PolarHBondContact O-N 3.27Å; S183-Y186 WeakPolarHBondContact O-CA 3.39Å; S183-Y186 WeakPolarHBondContact O-CB 3.41Å; S183-Y186 PolarHBondContact O-N 2.71Å; Y186-W188 VanDerWaalsContact C-N 3.29Å; Y186-W188 PolarHBondContact O-N 3.47Å; Y186-M189 PolarHBondContact O-N 3.39Å; Y186-V190 WeakPolarHBondContact O-CG2 3.48Å; Y186-V190 PolarHBondContact O-N 2.58Å; Y186-V190 VanDerWaalsContact O-N 3.11Å; Y186-W208 HydrophobicContact CD1-CH2 4.39Å; Y186-W208 HydrophobicContact CD1-CZ3 4.03Å; Y186-K209 HydrophobicContact CD1-CB 4.14Å; Y186-K209 HydrophobicContact CD1-CD 4.26Å; Y186-K209 HydrophobicContact CD1-CG 3.74Å; Y186-K209 HydrophobicContact CD2-CD 4.15Å; Y186-K209 HydrophobicContact CE1-CB 3.64Å; Y186-K209 HydrophobicContact CE1-CD 4.39Å; Y186-K209 HydrophobicContact CE1-CG 3.79Å; Y186-K209 HydrophobicContact CE2-CD 4.29Å; Y186-K209 HydrophobicContact CG-CD 4.14Å; Y186-K209 HydrophobicContact CG-CG 4.12Å; Y186-I212 HydrophobicContact CD1-CG2 4.39Å; Y186-I212 HydrophobicContact CE1-CB 4.24Å; Y186-I212 HydrophobicContact CE1-CG2 4.13Å; Y186-R213 PolarHBondContact OH-NH1 3.11Å |
| 187 | D | 95.1 | Very high | 93.4 | Very high | 68 Ų | 68 | 58.2 Ų | 58.2 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 179.7 | -57.7 | -35 | 0 | 0 | 0 | 111.8 | S183 Q184 K191 | S183-D187 VanDerWaalsContact O-CG 3.28Å; S183-D187 PolarHBondContact O-N 3.11Å; Q184-D187 PolarHBondContact O-N 3.04Å; D187-K191 WeakPolarHBondContact O-CB 3.25Å; D187-K191 WeakPolarHBondContact O-CD 3.39Å; D187-K191 WeakPolarHBondContact O-CG 3.37Å; D187-K191 PolarHBondContact O-N 2.97Å |
| 188 | W | 95.9 | Very high | 93.1 | Very high | 43 Ų | 43 | 59.2 Ų | 59.2 | 16% | 0.163 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 175.5 | -173.5 | 97.8 | 0 | 0 | 0 | 111.9 | L167 K170 A171 S174 Q184 I185 Y186 V190 K191 S192 V193 | L167-W188 HydrophobicContact CB-CZ3 4.28Å; L167-W188 HydrophobicContact CD2-CZ3 4.46Å; L167-W188 WeakPolarHBondContact O-CZ3 3.42Å; K170-W188 HydrophobicContact CB-CH2 3.75Å; K170-W188 HydrophobicContact CB-CZ2 3.89Å; A171-W188 VanDerWaalsContact CA-CE2 3.49Å; A171-W188 HydrophobicContact CB-CB 4.12Å; A171-W188 HydrophobicContact CB-CD2 3.46Å; A171-W188 VanDerWaalsContact CB-CD2 3.46Å; A171-W188 HydrophobicContact CB-CE3 3.61Å; A171-W188 HydrophobicContact CB-CG 3.68Å; A171-W188 HydrophobicContact CB-CZ3 4.21Å; S174-W188 VanDerWaalsContact OG-CD1 3.27Å; S174-W188 PolarHBondContact OG-NE1 2.82Å; Q184-W188 VanDerWaalsContact O-CB 3.31Å; Q184-W188 WeakPolarHBondContact O-CB 3.43Å; Q184-W188 PolarHBondContact O-N 3.47Å; I185-W188 PolarHBondContact O-N 3.3Å; Y186-W188 VanDerWaalsContact C-N 3.29Å; Y186-W188 PolarHBondContact O-N 3.47Å; W188-V190 VanDerWaalsContact C-N 3.3Å; W188-V190 PolarHBondContact O-N 3.19Å; W188-K191 PolarHBondContact O-N 3.16Å; W188-S192 PolarHBondContact NE1-OG 2.91Å; W188-S192 WeakPolarHBondContact O-CB 3.28Å; W188-S192 PolarHBondContact O-N 3.18Å; W188-S192 PolarHBondContact O-OG 3.5Å; W188-V193 HydrophobicContact CZ3-CG2 4.08Å |
| 189 | M | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 177.9 | -65.2 | -81.2 | 163.3 | 0 | 0 | 110.9 | L167 I168 I185 Y186 V193 F196 W208 I212 | L167-M189 HydrophobicContact CB-CE 3.51Å; L167-M189 HydrophobicContact CB-SD 3.74Å; L167-M189 HydrophobicContact CD1-SD 3.91Å; L167-M189 HydrophobicContact CG-SD 4.44Å; I168-M189 HydrophobicContact CB-CE 4.49Å; I168-M189 HydrophobicContact CG1-CE 3.77Å; I185-M189 HydrophobicContact CG2-CE 4.05Å; I185-M189 WeakPolarHBondContact O-CG 3.39Å; I185-M189 PolarHBondContact O-N 3.02Å; Y186-M189 PolarHBondContact O-N 3.39Å; M189-V193 VanDerWaalsContact O-CB 3.31Å; M189-V193 WeakPolarHBondContact O-CB 3.4Å; M189-V193 PolarHBondContact O-N 2.97Å; M189-V193 VanDerWaalsContact O-N 3.1Å; M189-F196 HydrophobicContact CB-CD2 4.4Å; M189-W208 HydrophobicContact CB-CH2 4Å; M189-W208 HydrophobicContact CB-CZ3 3.76Å; M189-W208 HydrophobicContact CG-CZ3 4.06Å; M189-I212 HydrophobicContact CE-CD1 3.61Å; M189-I212 HydrophobicContact CG-CD1 4.34Å; M189-I212 HydrophobicContact SD-CD1 3.97Å |
| 190 | V | 94.4 | Very high | 91.8 | Very high | 34 Ų | 34 | 55.7 Ų | 55.7 | 21% | 0.206 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.2 | -41 | 177 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | Y186 W188 K197 G200 W208 | Y186-V190 WeakPolarHBondContact O-CG2 3.48Å; Y186-V190 PolarHBondContact O-N 2.58Å; Y186-V190 VanDerWaalsContact O-N 3.11Å; W188-V190 VanDerWaalsContact C-N 3.3Å; W188-V190 PolarHBondContact O-N 3.19Å; V190-K197 WeakPolarHBondContact O-CG 3.33Å; V190-G200 VanDerWaalsContact CG2-CA 3.42Å; V190-W208 HydrophobicContact CG2-CH2 4Å; V190-W208 HydrophobicContact CG2-CZ2 3.95Å |
| 191 | K | 93.6 | Very high | 90.8 | Very high | 161 Ų | 161 | 61.7 Ų | 61.7 | 70% | 0.7 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -77 | -39.2 | -177.2 | -71.6 | 164.2 | -172.5 | 169.3 | 0 | 113.8 | D187 W188 | D187-K191 WeakPolarHBondContact O-CB 3.25Å; D187-K191 WeakPolarHBondContact O-CD 3.39Å; D187-K191 WeakPolarHBondContact O-CG 3.37Å; D187-K191 PolarHBondContact O-N 2.97Å; W188-K191 PolarHBondContact O-N 3.16Å |
| 192 | S | 92.4 | Very high | 89.7 | Confident | 65 Ų | 65 | 63.6 Ų | 63.6 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -101.9 | -15.9 | -168.7 | -62 | 0 | 0 | 0 | 0 | 114.6 | W188 | W188-S192 PolarHBondContact NE1-OG 2.91Å; W188-S192 WeakPolarHBondContact O-CB 3.28Å; W188-S192 PolarHBondContact O-N 3.18Å; W188-S192 PolarHBondContact O-OG 3.5Å |
| 193 | V | 92.2 | Very high | 88.4 | Confident | 11 Ų | 11 | 68.8 Ų | 68.8 | 7% | 0.067 | 36% | 0.362 | C | S | . | . | | | trans | -119 | 108.7 | -178 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | W159 L167 W188 M189 Y195 F196 | W159-V193 HydrophobicContact CB-CG1 3.49Å; W159-V193 VanDerWaalsContact CB-CG1 3.49Å; W159-V193 HydrophobicContact CG-CG1 4.29Å; L167-V193 HydrophobicContact CD1-CG2 4.2Å; L167-V193 HydrophobicContact CD2-CG2 3.88Å; W188-V193 HydrophobicContact CZ3-CG2 4.08Å; M189-V193 VanDerWaalsContact O-CB 3.31Å; M189-V193 WeakPolarHBondContact O-CB 3.4Å; M189-V193 PolarHBondContact O-N 2.97Å; M189-V193 VanDerWaalsContact O-N 3.1Å; V193-Y195 PolarHBondContact O-N 3.24Å; V193-F196 HydrophobicContact CB-CD2 3.92Å; V193-F196 HydrophobicContact CG1-CD2 3.69Å; V193-F196 HydrophobicContact CG1-CE2 4.11Å; V193-F196 PolarHBondContact O-N 3.39Å |
| 194 | P | 90.9 | Very high | 87 | Confident | 96 Ų | 96 | 70.8 Ų | 70.8 | 62% | 0.623 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -51.3 | -36.5 | -172.6 | -31.7 | 36.4 | 0 | 0 | 0 | 115.2 | F196 K197 | P194-F196 VanDerWaalsContact C-N 3.26Å; P194-F196 PolarHBondContact O-N 3.05Å; P194-K197 WeakPolarHBondContact O-CB 3.21Å; P194-K197 PolarHBondContact O-N 2.9Å |
| 195 | Y | 88.9 | Confident | 85.7 | Confident | 96 Ų | 96 | 67.5 Ų | 67.5 | 38% | 0.376 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.5 | -25.6 | 179.2 | 179.4 | -99 | 0 | 0 | 0 | 114.8 | A158 W159 V193 K199 | A158-Y195 HydrophobicContact CB-CD1 4.49Å; A158-Y195 HydrophobicContact CB-CD2 3.54Å; A158-Y195 HydrophobicContact CB-CE1 4.29Å; A158-Y195 HydrophobicContact CB-CE2 3.29Å; A158-Y195 HydrophobicContact CB-CG 4.15Å; W159-Y195 HydrophobicContact CB-CG 4.42Å; W159-Y195 AromaticContact CE3-CD1 3.73Å; W159-Y195 HydrophobicContact CE3-CD1 3.73Å; W159-Y195 AromaticContact CE3-CE1 3.91Å; W159-Y195 HydrophobicContact CE3-CE1 3.91Å; W159-Y195 HydrophobicContact CE3-CG 4.48Å; W159-Y195 HydrophobicContact CZ3-CD1 4.44Å; W159-Y195 HydrophobicContact CZ3-CE1 4.19Å; V193-Y195 PolarHBondContact O-N 3.24Å; Y195-K199 HydrophobicContact CE1-CD 4.17Å; Y195-K199 WeakPolarHBondContact O-CD 3.4Å; Y195-K199 VanDerWaalsContact O-CE 3.27Å; Y195-K199 WeakPolarHBondContact O-CE 3.43Å |
| 196 | F | 89.1 | Confident | 84.7 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.009 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -99.3 | -6.7 | -178.6 | -65.1 | -63.2 | 0 | 0 | 0 | 113.7 | W159 Y164 L167 M189 V193 P194 D198 K199 G200 W208 | W159-F196 HydrophobicContact CB-CE2 4.49Å; W159-F196 AromaticContact CD2-CE2 3.99Å; W159-F196 HydrophobicContact CD2-CE2 3.99Å; W159-F196 HydrophobicContact CD2-CZ 4.05Å; W159-F196 AromaticContact CE3-CE2 3.95Å; W159-F196 HydrophobicContact CE3-CE2 3.95Å; W159-F196 AromaticContact CE3-CZ 3.58Å; W159-F196 HydrophobicContact CE3-CZ 3.58Å; W159-F196 HydrophobicContact CG-CE2 4.26Å; W159-F196 HydrophobicContact CH2-CZ 4.44Å; W159-F196 AromaticContact CZ3-CZ 3.8Å; W159-F196 HydrophobicContact CZ3-CZ 3.8Å; Y164-F196 HydrophobicContact CE1-CE2 4.34Å; Y164-F196 AromaticContact CE1-CZ 3.81Å; Y164-F196 HydrophobicContact CE1-CZ 3.81Å; L167-F196 HydrophobicContact CD1-CE2 4.45Å; M189-F196 HydrophobicContact CB-CD2 4.4Å; V193-F196 HydrophobicContact CB-CD2 3.92Å; V193-F196 HydrophobicContact CG1-CD2 3.69Å; V193-F196 HydrophobicContact CG1-CE2 4.11Å; V193-F196 PolarHBondContact O-N 3.39Å; P194-F196 VanDerWaalsContact C-N 3.26Å; P194-F196 PolarHBondContact O-N 3.05Å; F196-D198 PolarHBondContact O-N 3.43Å; F196-K199 CarbonylContact O-C 3.57Å; F196-K199 PolarHBondContact O-N 3.16Å; F196-K199 VanDerWaalsContact O-N 3.13Å; F196-G200 PolarHBondContact O-N 3.36Å; F196-W208 HydrophobicContact CD1-CB 4.36Å; F196-W208 AromaticContact CD1-CD1 3.96Å; F196-W208 AromaticContact CD1-CD2 3.82Å; F196-W208 HydrophobicContact CD1-CD2 3.82Å; F196-W208 AromaticContact CD1-CE2 3.95Å; F196-W208 HydrophobicContact CD1-CE3 4.36Å; F196-W208 AromaticContact CD1-CG 3.84Å; F196-W208 HydrophobicContact CD1-CG 3.84Å; F196-W208 HydrophobicContact CE1-CB 3.64Å; F196-W208 AromaticContact CE1-CD2 3.94Å; F196-W208 HydrophobicContact CE1-CD2 3.94Å; F196-W208 HydrophobicContact CE1-CE3 4.41Å; F196-W208 AromaticContact CE1-CG 3.62Å; F196-W208 HydrophobicContact CE1-CG 3.62Å; F196-W208 HydrophobicContact CZ-CB 4.34Å |
| 197 | K | 87.6 | Confident | 84.4 | Confident | 125 Ų | 125 | 71.1 Ų | 71.1 | 54% | 0.543 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -51.9 | -55.3 | 176.5 | -72.5 | 179.2 | 68.8 | -170.4 | 0 | 111.3 | V190 P194 K199 | V190-K197 WeakPolarHBondContact O-CG 3.33Å; P194-K197 WeakPolarHBondContact O-CB 3.21Å; P194-K197 PolarHBondContact O-N 2.9Å; K197-K199 PolarHBondContact O-N 3.3Å; K197-K199 VanDerWaalsContact O-N 3.09Å |
| 198 | D | 84.8 | Confident | 84.2 | Confident | 128 Ų | 128 | 68.7 Ų | 68.7 | 68% | 0.684 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 24.8 | -175.6 | -29.6 | -52.9 | 0 | 0 | 0 | 111.6 | F196 | F196-D198 PolarHBondContact O-N 3.43Š|
| 199 | K | 82.6 | Confident | 84.1 | Confident | 76 Ų | 76 | 68.7 Ų | 68.7 | 33% | 0.33 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145 | 19 | -175.2 | -51.2 | -170.5 | -169.5 | -48.5 | 0 | 112.6 | Y195 F196 K197 S205 W208 | Y195-K199 HydrophobicContact CE1-CD 4.17Å; Y195-K199 WeakPolarHBondContact O-CD 3.4Å; Y195-K199 VanDerWaalsContact O-CE 3.27Å; Y195-K199 WeakPolarHBondContact O-CE 3.43Å; F196-K199 CarbonylContact O-C 3.57Å; F196-K199 PolarHBondContact O-N 3.16Å; F196-K199 VanDerWaalsContact O-N 3.13Å; K197-K199 PolarHBondContact O-N 3.3Å; K197-K199 VanDerWaalsContact O-N 3.09Å; K199-S205 PolarHBondContact O-OG 3.03Å; K199-W208 PolarHBondContact O-NE1 3.31Å |
| 200 | G | 77.3 | Confident | 84.1 | Confident | 21 Ų | 21 | 73 Ų | 73 | 22% | 0.216 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -86.5 | -34.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V190 F196 K209 | V190-G200 VanDerWaalsContact CG2-CA 3.42Å; F196-G200 PolarHBondContact O-N 3.36Å; G200-K209 PolarHBondContact O-NZ 3.16Å |
| 201 | D | 73.9 | Confident | 84.2 | Confident | 142 Ų | 142 | 73.2 Ų | 73.2 | 76% | 0.759 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -97.1 | -45.5 | -170.5 | 60.9 | -29.6 | 0 | 0 | 0 | 113 | | |
| 202 | S | 75 | Confident | 84.3 | Confident | 51 Ų | 51 | 65.5 Ų | 65.5 | 36% | 0.357 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -57.8 | 140.1 | -175.3 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | S204 S205 | S202-S204 PolarHBondContact O-N 3.09Å; S202-S204 VanDerWaalsContact O-N 3.08Å; S202-S204 WeakPolarHBondContact OG-CB 3.33Å; S202-S204 PolarHBondContact OG-N 2.86Å; S202-S204 PolarHBondContact OG-OG 3.27Å; S202-S205 WeakPolarHBondContact O-CB 3.46Å; S202-S205 PolarHBondContact O-N 3.49Å; S202-S205 PolarHBondContact O-OG 3.33Å |
| 203 | N | 67.9 | Low | 84.5 | Confident | 152 Ų | 152 | 67 Ų | 67 | 81% | 0.813 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -55.6 | -27.9 | 174.4 | -166.8 | 26.6 | 0 | 0 | 0 | 112.3 | S205 A206 | N203-S205 PolarHBondContact O-N 3.2Å; N203-A206 PolarHBondContact O-N 3.13Å; N203-A206 VanDerWaalsContact O-N 3.13Å |
| 204 | S | 63.3 | Low | 84.7 | Confident | 107 Ų | 107 | 71.4 Ų | 71.4 | 75% | 0.748 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -56.2 | -12.1 | 170.2 | -54.1 | 0 | 0 | 0 | 0 | 114.5 | S202 A206 | S202-S204 PolarHBondContact O-N 3.09Å; S202-S204 VanDerWaalsContact O-N 3.08Å; S202-S204 WeakPolarHBondContact OG-CB 3.33Å; S202-S204 PolarHBondContact OG-N 2.86Å; S202-S204 PolarHBondContact OG-OG 3.27Å; S204-A206 PolarHBondContact O-N 3.35Å; S204-A206 VanDerWaalsContact O-N 3.12Å |
| 205 | S | 67.9 | Low | 85 | Confident | 6 Ų | 6 | 67.9 Ų | 67.9 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -53.9 | -23.6 | 168.7 | -61.9 | 0 | 0 | 0 | 0 | 114.2 | K199 S202 N203 G207 W208 K209 | K199-S205 PolarHBondContact O-OG 3.03Å; S202-S205 WeakPolarHBondContact O-CB 3.46Å; S202-S205 PolarHBondContact O-N 3.49Å; S202-S205 PolarHBondContact O-OG 3.33Å; N203-S205 PolarHBondContact O-N 3.2Å; S205-G207 PolarHBondContact O-N 2.9Å; S205-G207 VanDerWaalsContact O-N 3.11Å; S205-W208 PolarHBondContact O-N 3.09Å; S205-K209 VanDerWaalsContact CB-NZ 3.28Å; S205-K209 WeakPolarHBondContact O-CB 3.43Å; S205-K209 WeakPolarHBondContact O-CG 3.37Å; S205-K209 PolarHBondContact O-N 2.66Å; S205-K209 PolarHBondContact OG-NZ 3.15Å |
| 206 | A | 75.1 | Confident | 85.3 | Confident | 59 Ų | 59 | 63.4 Ų | 63.4 | 49% | 0.488 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -49.4 | -42 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N203 S204 N210 | N203-A206 PolarHBondContact O-N 3.13Å; N203-A206 VanDerWaalsContact O-N 3.13Å; S204-A206 PolarHBondContact O-N 3.35Å; S204-A206 VanDerWaalsContact O-N 3.12Å; A206-N210 VanDerWaalsContact O-CB 3.25Å; A206-N210 WeakPolarHBondContact O-CB 3.49Å; A206-N210 PolarHBondContact O-N 3.25Å |
| 207 | G | 89.1 | Confident | 85.6 | Confident | 50 Ų | 50 | 67.6 Ų | 67.6 | 52% | 0.515 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.3 | -57.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | S205 N210 S211 | S205-G207 PolarHBondContact O-N 2.9Å; S205-G207 VanDerWaalsContact O-N 3.11Å; G207-N210 WeakPolarHBondContact O-CB 3.32Å; G207-N210 PolarHBondContact O-N 3.25Å; G207-S211 PolarHBondContact O-N 3.26Å; G207-S211 PolarHBondContact O-OG 3.29Å |
| 208 | W | 92.1 | Very high | 85.9 | Confident | 18 Ų | 18 | 66.4 Ų | 66.4 | 7% | 0.068 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -69.5 | -38.5 | -177.7 | 75.4 | -103.3 | 0 | 0 | 0 | 112 | Y186 M189 V190 F196 K199 S205 N210 S211 I212 | Y186-W208 HydrophobicContact CD1-CH2 4.39Å; Y186-W208 HydrophobicContact CD1-CZ3 4.03Å; M189-W208 HydrophobicContact CB-CH2 4Å; M189-W208 HydrophobicContact CB-CZ3 3.76Å; M189-W208 HydrophobicContact CG-CZ3 4.06Å; V190-W208 HydrophobicContact CG2-CH2 4Å; V190-W208 HydrophobicContact CG2-CZ2 3.95Å; F196-W208 HydrophobicContact CD1-CB 4.36Å; F196-W208 AromaticContact CD1-CD1 3.96Å; F196-W208 AromaticContact CD1-CD2 3.82Å; F196-W208 HydrophobicContact CD1-CD2 3.82Å; F196-W208 AromaticContact CD1-CE2 3.95Å; F196-W208 HydrophobicContact CD1-CE3 4.36Å; F196-W208 AromaticContact CD1-CG 3.84Å; F196-W208 HydrophobicContact CD1-CG 3.84Å; F196-W208 HydrophobicContact CE1-CB 3.64Å; F196-W208 AromaticContact CE1-CD2 3.94Å; F196-W208 HydrophobicContact CE1-CD2 3.94Å; F196-W208 HydrophobicContact CE1-CE3 4.41Å; F196-W208 AromaticContact CE1-CG 3.62Å; F196-W208 HydrophobicContact CE1-CG 3.62Å; F196-W208 HydrophobicContact CZ-CB 4.34Å; K199-W208 PolarHBondContact O-NE1 3.31Å; S205-W208 PolarHBondContact O-N 3.09Å; W208-N210 PolarHBondContact O-N 3.05Å; W208-S211 WeakPolarHBondContact O-CB 3.45Å; W208-S211 PolarHBondContact O-N 3.17Å; W208-S211 VanDerWaalsContact O-N 3.11Å; W208-I212 HydrophobicContact CE3-CG1 4.07Å; W208-I212 HydrophobicContact CZ3-CG1 4.26Å; W208-I212 WeakPolarHBondContact O-CG1 3.43Å; W208-I212 PolarHBondContact O-N 2.95Å |
| 209 | K | 93.6 | Very high | 86.4 | Confident | 42 Ų | 42 | 63.1 Ų | 63.1 | 18% | 0.183 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.3 | -29.8 | 173.5 | -67.9 | -178 | -179.2 | 153.6 | 0 | 111.5 | Y186 G200 S205 R213 | Y186-K209 HydrophobicContact CD1-CB 4.14Å; Y186-K209 HydrophobicContact CD1-CD 4.26Å; Y186-K209 HydrophobicContact CD1-CG 3.74Å; Y186-K209 HydrophobicContact CD2-CD 4.15Å; Y186-K209 HydrophobicContact CE1-CB 3.64Å; Y186-K209 HydrophobicContact CE1-CD 4.39Å; Y186-K209 HydrophobicContact CE1-CG 3.79Å; Y186-K209 HydrophobicContact CE2-CD 4.29Å; Y186-K209 HydrophobicContact CG-CD 4.14Å; Y186-K209 HydrophobicContact CG-CG 4.12Å; G200-K209 PolarHBondContact O-NZ 3.16Å; S205-K209 VanDerWaalsContact CB-NZ 3.28Å; S205-K209 WeakPolarHBondContact O-CB 3.43Å; S205-K209 WeakPolarHBondContact O-CG 3.37Å; S205-K209 PolarHBondContact O-N 2.66Å; S205-K209 PolarHBondContact OG-NZ 3.15Å; K209-R213 PolarHBondContact O-N 2.95Å; K209-R213 PolarHBondContact O-NH1 3.03Å |
| 210 | N | 94.6 | Very high | 86.8 | Confident | 91 Ų | 91 | 64.3 Ų | 64.3 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -72.1 | -41.8 | 171.4 | -158.8 | 43.4 | 0 | 0 | 0 | 112.7 | A206 G207 W208 I212 R213 H214 | A206-N210 VanDerWaalsContact O-CB 3.25Å; A206-N210 WeakPolarHBondContact O-CB 3.49Å; A206-N210 PolarHBondContact O-N 3.25Å; G207-N210 WeakPolarHBondContact O-CB 3.32Å; G207-N210 PolarHBondContact O-N 3.25Å; W208-N210 PolarHBondContact O-N 3.05Å; N210-I212 PolarHBondContact O-N 3.01Å; N210-R213 PolarHBondContact O-N 3.49Å; N210-R213 PolarHBondContact OD1-NE 3.32Å; N210-R213 PolarHBondContact OD1-NH2 3.3Å; N210-H214 WeakPolarHBondContact O-CB 3.49Å; N210-H214 PolarHBondContact O-N 2.92Å |
| 211 | S | 95.4 | Very high | 87.6 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 27% | 0.266 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -56.9 | -39.1 | 174.1 | -53.5 | 0 | 0 | 0 | 0 | 112.1 | G207 W208 H214 N215 | G207-S211 PolarHBondContact O-N 3.26Å; G207-S211 PolarHBondContact O-OG 3.29Å; W208-S211 WeakPolarHBondContact O-CB 3.45Å; W208-S211 PolarHBondContact O-N 3.17Å; W208-S211 VanDerWaalsContact O-N 3.11Å; S211-H214 PolarHBondContact O-N 3.19Å; S211-N215 WeakPolarHBondContact O-CB 3.49Å; S211-N215 PolarHBondContact O-N 3.42Å; S211-N215 PolarHBondContact O-ND2 3.33Å |
| 212 | I | 96 | Very high | 88.7 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.1 | -52 | 173.4 | -64.5 | -59.8 | 0 | 0 | 0 | 111.6 | Y164 I168 L182 I185 Y186 M189 W208 N210 H214 N215 L216 | Y164-I212 HydrophobicContact CD1-CD1 3.59Å; Y164-I212 HydrophobicContact CD1-CG1 4.47Å; Y164-I212 HydrophobicContact CE1-CD1 4.21Å; Y164-I212 HydrophobicContact CG-CD1 4.35Å; I168-I212 HydrophobicContact CD1-CD1 3.93Å; I168-I212 HydrophobicContact CD1-CG2 4.23Å; I168-I212 HydrophobicContact CG1-CD1 3.88Å; I168-I212 HydrophobicContact CG1-CG2 4.4Å; L182-I212 HydrophobicContact CD1-CG2 4.26Å; I185-I212 HydrophobicContact CG2-CG2 3.8Å; Y186-I212 HydrophobicContact CD1-CG2 4.39Å; Y186-I212 HydrophobicContact CE1-CB 4.24Å; Y186-I212 HydrophobicContact CE1-CG2 4.13Å; M189-I212 HydrophobicContact CE-CD1 3.61Å; M189-I212 HydrophobicContact CG-CD1 4.34Å; M189-I212 HydrophobicContact SD-CD1 3.97Å; W208-I212 HydrophobicContact CE3-CG1 4.07Å; W208-I212 HydrophobicContact CZ3-CG1 4.26Å; W208-I212 WeakPolarHBondContact O-CG1 3.43Å; W208-I212 PolarHBondContact O-N 2.95Å; N210-I212 PolarHBondContact O-N 3.01Å; I212-H214 VanDerWaalsContact C-N 3.29Å; I212-H214 PolarHBondContact O-N 3.11Å; I212-N215 PolarHBondContact O-N 2.92Å; I212-N215 VanDerWaalsContact O-N 3.17Å; I212-L216 HydrophobicContact CG2-CD1 3.9Å; I212-L216 HydrophobicContact CG2-CG 4.5Å; I212-L216 WeakPolarHBondContact O-CG 3.34Å; I212-L216 PolarHBondContact O-N 3.29Å |
| 213 | R | 96.6 | Very high | 89.6 | Confident | 97 Ų | 97 | 61.1 Ų | 61.1 | 37% | 0.366 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57 | -41.8 | 178.3 | -70 | -174.9 | -59.4 | -96.4 | 11.2 | 112.5 | L182 Y186 K209 N210 L216 S217 | L182-R213 HydrophobicContact CD1-CG 3.98Å; L182-R213 HydrophobicContact CD2-CG 3.94Å; Y186-R213 PolarHBondContact OH-NH1 3.11Å; K209-R213 PolarHBondContact O-N 2.95Å; K209-R213 PolarHBondContact O-NH1 3.03Å; N210-R213 PolarHBondContact O-N 3.49Å; N210-R213 PolarHBondContact OD1-NE 3.32Å; N210-R213 PolarHBondContact OD1-NH2 3.3Å; R213-L216 PolarHBondContact O-N 3.24Å; R213-S217 PolarHBondContact O-N 3.1Å; R213-S217 PolarHBondContact O-OG 2.96Å |
| 214 | H | 96.4 | Very high | 90.9 | Very high | 102 Ų | 102 | 61 Ų | 61 | 47% | 0.472 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 176.9 | 173.6 | 67.6 | 0 | 0 | 0 | 112.7 | N210 S211 I212 L216 S217 L218 | N210-H214 WeakPolarHBondContact O-CB 3.49Å; N210-H214 PolarHBondContact O-N 2.92Å; S211-H214 PolarHBondContact O-N 3.19Å; I212-H214 VanDerWaalsContact C-N 3.29Å; I212-H214 PolarHBondContact O-N 3.11Å; H214-L216 VanDerWaalsContact C-N 3.32Å; H214-L216 PolarHBondContact O-N 3.12Å; H214-S217 PolarHBondContact O-N 3.13Å; H214-S217 PolarHBondContact O-OG 2.88Å; H214-L218 WeakPolarHBondContact NE2-CD1 3.5Å; H214-L218 WeakPolarHBondContact O-CB 3.38Å; H214-L218 PolarHBondContact O-N 3.38Å |
| 215 | N | 97.3 | Very high | 92.4 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 12% | 0.123 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66 | -35.2 | 177 | -85.6 | -110.3 | 0 | 0 | 0 | 112.1 | A165 I168 S211 I212 H219 F222 | A165-N215 PolarHBondContact N-OD1 3.09Å; I168-N215 HydrophobicContact CD1-CB 3.59Å; S211-N215 WeakPolarHBondContact O-CB 3.49Å; S211-N215 PolarHBondContact O-N 3.42Å; S211-N215 PolarHBondContact O-ND2 3.33Å; I212-N215 PolarHBondContact O-N 2.92Å; I212-N215 VanDerWaalsContact O-N 3.17Å; N215-H219 PolarHBondContact O-N 3.03Å; N215-F222 WeakPolarHBondContact O-CD2 3.47Å |
| 216 | L | 96.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.1 | -35.2 | 176.5 | -75.1 | 168 | 0 | 0 | 0 | 113.1 | I168 L182 I185 I212 R213 H214 F222 W236 | I168-L216 HydrophobicContact CD1-CD2 4.46Å; I168-L216 HydrophobicContact CD1-CG 4.2Å; I168-L216 HydrophobicContact CG2-CD2 3.58Å; I168-L216 HydrophobicContact CG2-CG 4.43Å; L182-L216 HydrophobicContact CD1-CD1 3.64Å; I185-L216 HydrophobicContact CD1-CD1 4.1Å; I185-L216 HydrophobicContact CD1-CD2 4.13Å; I212-L216 HydrophobicContact CG2-CD1 3.9Å; I212-L216 HydrophobicContact CG2-CG 4.5Å; I212-L216 WeakPolarHBondContact O-CG 3.34Å; I212-L216 PolarHBondContact O-N 3.29Å; R213-L216 PolarHBondContact O-N 3.24Å; H214-L216 VanDerWaalsContact C-N 3.32Å; H214-L216 PolarHBondContact O-N 3.12Å; L216-F222 HydrophobicContact CD2-CB 4.18Å; L216-F222 HydrophobicContact CD2-CD1 4.48Å; L216-F222 HydrophobicContact CD2-CD2 4.25Å; L216-F222 HydrophobicContact CD2-CG 4.03Å; L216-W236 HydrophobicContact CB-CD2 4.16Å; L216-W236 HydrophobicContact CB-CE3 4Å; L216-W236 HydrophobicContact CB-CH2 3.86Å; L216-W236 HydrophobicContact CB-CZ2 4.04Å; L216-W236 HydrophobicContact CB-CZ3 3.84Å; L216-W236 HydrophobicContact CD1-CD2 4.12Å; L216-W236 HydrophobicContact CD1-CG 4.2Å; L216-W236 HydrophobicContact CD1-CZ2 4.5Å; L216-W236 HydrophobicContact CD2-CB 4.08Å; L216-W236 HydrophobicContact CD2-CD2 3.8Å; L216-W236 HydrophobicContact CD2-CE3 3.84Å; L216-W236 HydrophobicContact CD2-CG 3.91Å; L216-W236 HydrophobicContact CG-CD2 4.25Å; L216-W236 HydrophobicContact CG-CE3 4.4Å; L216-W236 VanDerWaalsContact O-CZ3 3.23Å; L216-W236 WeakPolarHBondContact O-CZ3 3.31Å |
| 217 | S | 94.7 | Very high | 94.1 | Very high | 90 Ų | 90 | 60.9 Ų | 60.9 | 63% | 0.629 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -88.9 | -29.1 | 176.2 | 58.2 | 0 | 0 | 0 | 0 | 114.3 | R213 H214 | R213-S217 PolarHBondContact O-N 3.1Å; R213-S217 PolarHBondContact O-OG 2.96Å; H214-S217 PolarHBondContact O-N 3.13Å; H214-S217 PolarHBondContact O-OG 2.88Å |
| 218 | L | 95.1 | Very high | 94 | Very high | 100 Ų | 100 | 66.7 Ų | 66.7 | 52% | 0.524 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -75.4 | -33.9 | -178.1 | -177.9 | 148 | 0 | 0 | 0 | 113.3 | H214 | H214-L218 WeakPolarHBondContact NE2-CD1 3.5Å; H214-L218 WeakPolarHBondContact O-CB 3.38Å; H214-L218 PolarHBondContact O-N 3.38Å |
| 219 | H | 94.1 | Very high | 93.4 | Very high | 59 Ų | 59 | 67.3 Ų | 67.3 | 27% | 0.273 | 35% | 0.345 | S | S | . | . | | | trans | -101.2 | 114.8 | -176.5 | -69.8 | -58.2 | 0 | 0 | 0 | 112.7 | N215 R221 F222 | N215-H219 PolarHBondContact O-N 3.03Å; H219-R221 PolarHBondContact O-N 3.45Å; H219-F222 HydrophobicContact CB-CD2 3.82Å; H219-F222 HydrophobicContact CB-CE2 3.86Å; H219-F222 PolarHBondContact O-N 2.85Å |
| 220 | S | 92 | Very high | 91.7 | Very high | 101 Ų | 101 | 72.6 Ų | 72.6 | 71% | 0.706 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -1.8 | 171.5 | 57.1 | 0 | 0 | 0 | 0 | 115.7 | N239 | S220-N239 PolarHBondContact O-ND2 2.96Š|
| 221 | R | 94.1 | Very high | 90.6 | Very high | 82 Ų | 82 | 72.3 Ų | 72.3 | 31% | 0.309 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -19.9 | 165.1 | -66.4 | -168.7 | -68.2 | 160.8 | -5 | 112.4 | D166 H219 N239 | D166-R221 IonicContact OD1-NH1 3.96Å; D166-R221 IonicContact OD1-NH2 3.79Å; H219-R221 PolarHBondContact O-N 3.45Å; R221-N239 WeakPolarHBondContact O-CB 3.27Å; R221-N239 PolarHBondContact O-N 3.44Å |
| 222 | F | 96 | Very high | 89.9 | Confident | 10 Ų | 10 | 77.1 Ų | 77.1 | 4% | 0.044 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 138.5 | 174.1 | -49.9 | -58.5 | 0 | 0 | 0 | 109.7 | A165 I168 I172 N215 L216 H219 W236 M237 L238 | A165-F222 HydrophobicContact CB-CE2 4.15Å; A165-F222 HydrophobicContact CB-CZ 4.2Å; A165-F222 WeakPolarHBondContact O-CZ 3.14Å; I168-F222 HydrophobicContact CB-CE1 4.1Å; I168-F222 HydrophobicContact CB-CE2 4.44Å; I168-F222 HydrophobicContact CB-CZ 3.83Å; I168-F222 HydrophobicContact CG2-CD1 3.9Å; I168-F222 HydrophobicContact CG2-CE1 3.46Å; I168-F222 VanDerWaalsContact CG2-CE1 3.46Å; I168-F222 HydrophobicContact CG2-CE2 4.14Å; I168-F222 HydrophobicContact CG2-CG 4.42Å; I168-F222 HydrophobicContact CG2-CZ 3.6Å; I172-F222 HydrophobicContact CD1-CD1 3.96Å; I172-F222 HydrophobicContact CD1-CE1 4.31Å; N215-F222 WeakPolarHBondContact O-CD2 3.47Å; L216-F222 HydrophobicContact CD2-CB 4.18Å; L216-F222 HydrophobicContact CD2-CD1 4.48Å; L216-F222 HydrophobicContact CD2-CD2 4.25Å; L216-F222 HydrophobicContact CD2-CG 4.03Å; H219-F222 HydrophobicContact CB-CD2 3.82Å; H219-F222 HydrophobicContact CB-CE2 3.86Å; H219-F222 PolarHBondContact O-N 2.85Å; F222-W236 HydrophobicContact CB-CE3 4.26Å; F222-M237 WeakPolarHBondContact CA-O 3.32Å; F222-L238 HydrophobicContact CD1-CD2 4.05Å; F222-L238 HydrophobicContact CE1-CD2 3.81Å |
| 223 | I | 94.7 | Very high | 89.6 | Confident | 54 Ų | 54 | 79.9 Ų | 79.9 | 28% | 0.277 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 133.9 | 175.3 | 50.7 | 172.6 | 0 | 0 | 0 | 109.5 | V225 W236 M237 N239 | I223-V225 HydrophobicContact CD1-CG2 4.37Å; I223-V225 HydrophobicContact CG1-CG2 4.49Å; I223-W236 WeakPolarHBondContact O-CA 3.33Å; I223-M237 HydrophobicContact CD1-CB 4.39Å; I223-M237 HydrophobicContact CD1-CE 3.99Å; I223-M237 HydrophobicContact CG1-CB 4.01Å; I223-M237 WeakPolarHBondContact CG1-O 3.31Å; I223-M237 PolarHBondContact N-O 2.74Å; I223-M237 PolarHBondContact O-N 3.27Å; I223-N239 HydrophobicContact CG2-CB 4.08Å |
| 224 | R | 95.4 | Very high | 89.5 | Confident | 150 Ų | 150 | 76.2 Ų | 76.2 | 57% | 0.566 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 111.1 | 172.7 | -171.4 | -177.4 | 68.7 | 86.2 | 1.6 | 108.6 | S234 W235 W236 | R224-S234 PolarHBondContact NH1-OG 3.18Å; R224-W235 CarbonylContact C-O 3.46Å; R224-W235 WeakPolarHBondContact CA-O 3.39Å; R224-W236 HydrophobicContact CB-CD2 4.41Å; R224-W236 HydrophobicContact CB-CE3 4.02Å; R224-W236 HydrophobicContact CB-CH2 3.91Å; R224-W236 HydrophobicContact CB-CZ2 4.27Å; R224-W236 HydrophobicContact CB-CZ3 3.77Å; R224-W236 HydrophobicContact CG-CH2 4.34Å; R224-W236 HydrophobicContact CG-CZ2 4.21Å |
| 225 | V | 93.5 | Very high | 89.5 | Confident | 51 Ų | 51 | 73.2 Ų | 73.2 | 31% | 0.309 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 137.2 | 173.7 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | I223 S234 W235 M237 | I223-V225 HydrophobicContact CD1-CG2 4.37Å; I223-V225 HydrophobicContact CG1-CG2 4.49Å; V225-S234 WeakPolarHBondContact O-CB 3.38Å; V225-W235 HydrophobicContact CB-CB 4.31Å; V225-W235 PolarHBondContact N-O 3.11Å; V225-W235 PolarHBondContact O-N 2.92Å; V225-M237 HydrophobicContact CB-CG 4.4Å; V225-M237 HydrophobicContact CB-SD 4.34Å; V225-M237 HydrophobicContact CG2-CE 3.8Å; V225-M237 HydrophobicContact CG2-CG 3.9Å; V225-M237 HydrophobicContact CG2-SD 3.86Å |
| 226 | Q | 92.2 | Very high | 89.4 | Confident | 103 Ų | 103 | 74 Ų | 74 | 48% | 0.481 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 151.5 | 177.5 | -174.7 | 44.7 | 40.2 | 0 | 0 | 110.2 | S234 | Q226-S234 PolarHBondContact OE1-OG 3.06Š|
| 227 | N | 88 | Confident | 89.4 | Confident | 16 Ų | 16 | 76.4 Ų | 76.4 | 9% | 0.086 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -93.6 | 136.8 | 174.9 | -156.2 | -24.9 | 0 | 0 | 0 | 109.1 | G229 K232 S233 W235 | N227-G229 PolarHBondContact O-N 3.46Å; N227-K232 HydrophobicContact CB-CB 4.49Å; N227-S233 WeakPolarHBondContact CB-O 3.33Å; N227-S233 PolarHBondContact ND2-O 3.17Å; N227-W235 PolarHBondContact ND2-NE1 3.37Å; N227-W235 PolarHBondContact OD1-NE1 3.45Å |
| 228 | E | 85.4 | Confident | 89.4 | Confident | 171 Ų | 171 | 74 Ų | 74 | 80% | 0.799 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -58.5 | -27.8 | -178.2 | -46.3 | -51.1 | 119.9 | 0 | 0 | 112.8 | | |
| 229 | G | 79.5 | Confident | 89.2 | Confident | 32 Ų | 32 | 71.1 Ų | 71.1 | 33% | 0.33 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -84.3 | 112.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N227 G231 K232 | N227-G229 PolarHBondContact O-N 3.46Å; G229-G231 PolarHBondContact O-N 3.49Å; G229-K232 WeakPolarHBondContact O-CB 3.19Å; G229-K232 PolarHBondContact O-N 2.81Å |
| 230 | T | 58.4 | Low | 88.8 | Confident | 153 Ų | 153 | 71.4 Ų | 71.4 | 94% | 0.939 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | 120.8 | 172 | -51.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 231 | G | 71.5 | Confident | 87.8 | Confident | 84 Ų | 84 | 73.2 Ų | 73.2 | 87% | 0.866 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | -11.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116 | G229 | G229-G231 PolarHBondContact O-N 3.49Š|
| 232 | K | 81 | Confident | 86.3 | Confident | 140 Ų | 140 | 70.9 Ų | 70.9 | 61% | 0.609 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -82.3 | 143.3 | 175.6 | -158.1 | 169 | -173.9 | 172.9 | 0 | 110.9 | N227 G229 S234 | N227-K232 HydrophobicContact CB-CB 4.49Å; G229-K232 WeakPolarHBondContact O-CB 3.19Å; G229-K232 PolarHBondContact O-N 2.81Å; K232-S234 PolarHBondContact O-N 3.37Å |
| 233 | S | 90.2 | Very high | 84.6 | Confident | 58 Ų | 58 | 73.6 Ų | 73.6 | 41% | 0.406 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 135.6 | -176.9 | 60.7 | 0 | 0 | 0 | 0 | 112.6 | T181 N227 | T181-S233 WeakPolarHBondContact CB-OG 3.12Å; T181-S233 WeakPolarHBondContact CG2-OG 3.5Å; N227-S233 WeakPolarHBondContact CB-O 3.33Å; N227-S233 PolarHBondContact ND2-O 3.17Å |
| 234 | S | 94.4 | Very high | 82.9 | Confident | 20 Ų | 20 | 79.4 Ų | 79.4 | 14% | 0.14 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -52.6 | 150 | 175.6 | -54.3 | 0 | 0 | 0 | 0 | 113.1 | R224 V225 Q226 K232 | R224-S234 PolarHBondContact NH1-OG 3.18Å; V225-S234 WeakPolarHBondContact O-CB 3.38Å; Q226-S234 PolarHBondContact OE1-OG 3.06Å; K232-S234 PolarHBondContact O-N 3.37Å |
| 235 | W | 95.1 | Very high | 80.7 | Confident | 39 Ų | 39 | 75.3 Ų | 75.3 | 15% | 0.148 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 143.2 | 169.6 | -63.7 | 108.3 | 0 | 0 | 0 | 110.6 | R179 T181 R224 V225 N227 | R179-W235 HydrophobicContact CB-CB 4.44Å; R179-W235 HydrophobicContact CB-CE3 4.17Å; R179-W235 HydrophobicContact CG-CD2 4.23Å; R179-W235 HydrophobicContact CG-CE3 3.87Å; R179-W235 HydrophobicContact CG-CZ3 4.27Å; T181-W235 HydrophobicContact CG2-CD2 4.29Å; T181-W235 HydrophobicContact CG2-CE3 3.82Å; T181-W235 HydrophobicContact CG2-CH2 4.18Å; T181-W235 HydrophobicContact CG2-CZ3 3.78Å; R224-W235 CarbonylContact C-O 3.46Å; R224-W235 WeakPolarHBondContact CA-O 3.39Å; V225-W235 HydrophobicContact CB-CB 4.31Å; V225-W235 PolarHBondContact N-O 3.11Å; V225-W235 PolarHBondContact O-N 2.92Å; N227-W235 PolarHBondContact ND2-NE1 3.37Å; N227-W235 PolarHBondContact OD1-NE1 3.45Å |
| 236 | W | 96.5 | Very high | 78.7 | Confident | 39 Ų | 39 | 76.2 Ų | 76.2 | 15% | 0.148 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125 | 165 | -67.6 | 95.8 | 0 | 0 | 0 | 108.3 | I172 R179 L180 I185 L216 F222 I223 R224 | I172-W236 HydrophobicContact CD1-CB 4.46Å; R179-W236 WeakPolarHBondContact CA-O 3.19Å; L180-W236 PolarHBondContact N-O 3.01Å; L180-W236 WeakPolarHBondContact O-CB 3.5Å; L180-W236 PolarHBondContact O-N 2.88Å; I185-W236 HydrophobicContact CD1-CB 4.03Å; I185-W236 HydrophobicContact CD1-CG 4.38Å; L216-W236 HydrophobicContact CB-CD2 4.16Å; L216-W236 HydrophobicContact CB-CE3 4Å; L216-W236 HydrophobicContact CB-CH2 3.86Å; L216-W236 HydrophobicContact CB-CZ2 4.04Å; L216-W236 HydrophobicContact CB-CZ3 3.84Å; L216-W236 HydrophobicContact CD1-CD2 4.12Å; L216-W236 HydrophobicContact CD1-CG 4.2Å; L216-W236 HydrophobicContact CD1-CZ2 4.5Å; L216-W236 HydrophobicContact CD2-CB 4.08Å; L216-W236 HydrophobicContact CD2-CD2 3.8Å; L216-W236 HydrophobicContact CD2-CE3 3.84Å; L216-W236 HydrophobicContact CD2-CG 3.91Å; L216-W236 HydrophobicContact CG-CD2 4.25Å; L216-W236 HydrophobicContact CG-CE3 4.4Å; L216-W236 VanDerWaalsContact O-CZ3 3.23Å; L216-W236 WeakPolarHBondContact O-CZ3 3.31Å; F222-W236 HydrophobicContact CB-CE3 4.26Å; I223-W236 WeakPolarHBondContact O-CA 3.33Å; R224-W236 HydrophobicContact CB-CD2 4.41Å; R224-W236 HydrophobicContact CB-CE3 4.02Å; R224-W236 HydrophobicContact CB-CH2 3.91Å; R224-W236 HydrophobicContact CB-CZ2 4.27Å; R224-W236 HydrophobicContact CB-CZ3 3.77Å; R224-W236 HydrophobicContact CG-CH2 4.34Å; R224-W236 HydrophobicContact CG-CZ2 4.21Å |
| 237 | M | 95.3 | Very high | 76.7 | Confident | 53 Ų | 53 | 80.9 Ų | 80.9 | 26% | 0.261 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 160 | 178.8 | -35.9 | -161.6 | -42.4 | 0 | 0 | 109.9 | R179 F222 I223 V225 | R179-M237 HydrophobicContact CB-CB 4.42Å; R179-M237 HydrophobicContact CB-CG 3.65Å; R179-M237 HydrophobicContact CB-SD 3.83Å; F222-M237 WeakPolarHBondContact CA-O 3.32Å; I223-M237 HydrophobicContact CD1-CB 4.39Å; I223-M237 HydrophobicContact CD1-CE 3.99Å; I223-M237 HydrophobicContact CG1-CB 4.01Å; I223-M237 WeakPolarHBondContact CG1-O 3.31Å; I223-M237 PolarHBondContact N-O 2.74Å; I223-M237 PolarHBondContact O-N 3.27Å; V225-M237 HydrophobicContact CB-CG 4.4Å; V225-M237 HydrophobicContact CB-SD 4.34Å; V225-M237 HydrophobicContact CG2-CE 3.8Å; V225-M237 HydrophobicContact CG2-CG 3.9Å; V225-M237 HydrophobicContact CG2-SD 3.86Å |
| 238 | L | 95.1 | Very high | 74.6 | Confident | 38 Ų | 38 | 85.1 Ų | 85.1 | 20% | 0.199 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 133.2 | 166.2 | -78.8 | 158.2 | 0 | 0 | 0 | 109.3 | T169 I172 E173 F222 P240 | T169-L238 HydrophobicContact CG2-CD1 4.06Å; T169-L238 HydrophobicContact CG2-CD2 4.04Å; I172-L238 HydrophobicContact CB-CD1 4Å; I172-L238 HydrophobicContact CB-CG 4.17Å; I172-L238 HydrophobicContact CD1-CG 4.35Å; I172-L238 HydrophobicContact CG2-CB 4.39Å; I172-L238 HydrophobicContact CG2-CD1 3.89Å; I172-L238 HydrophobicContact CG2-CG 3.92Å; E173-L238 HydrophobicContact CG-CD1 3.59Å; F222-L238 HydrophobicContact CD1-CD2 4.05Å; F222-L238 HydrophobicContact CE1-CD2 3.81Å; L238-P240 WeakPolarHBondContact O-CD 3.4Å |
| 239 | N | 91.2 | Very high | 72.8 | Confident | 41 Ų | 41 | 82.4 Ų | 82.4 | 22% | 0.219 | 51% | 0.508 | C | S | . | . | | | trans | -65.4 | 116.3 | 175.1 | -174.7 | -12.1 | 0 | 0 | 0 | 109.1 | S220 R221 I223 E241 G242 G243 | S220-N239 PolarHBondContact O-ND2 2.96Å; R221-N239 WeakPolarHBondContact O-CB 3.27Å; R221-N239 PolarHBondContact O-N 3.44Å; I223-N239 HydrophobicContact CG2-CB 4.08Å; N239-E241 PolarHBondContact O-N 2.84Å; N239-E241 PolarHBondContact OD1-N 2.97Å; N239-E241 VanDerWaalsContact OD1-N 3.14Å; N239-G242 PolarHBondContact O-N 2.73Å; N239-G243 PolarHBondContact O-N 3.02Å |
| 240 | P | 84.6 | Confident | 71.7 | Confident | 65 Ų | 65 | 92.5 Ų | 92.5 | 42% | 0.422 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60 | -34 | -178.6 | 24.2 | -33.4 | 0 | 0 | 0 | 111.9 | L238 G242 | L238-P240 WeakPolarHBondContact O-CD 3.4Å; P240-G242 VanDerWaalsContact C-N 3.31Å |
| 241 | E | 71.6 | Confident | 71.5 | Confident | 138 Ų | 138 | 96.7 Ų | 96.7 | 65% | 0.645 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -80.2 | -9.6 | 176.6 | -56.2 | -50.7 | 116.5 | 0 | 0 | 113.5 | N239 S245 | N239-E241 PolarHBondContact O-N 2.84Å; N239-E241 PolarHBondContact OD1-N 2.97Å; N239-E241 VanDerWaalsContact OD1-N 3.14Å; E241-S245 PolarHBondContact O-OG 2.64Å |
| 242 | G | 62.4 | Low | 70.6 | Confident | 33 Ų | 33 | 104.3 Ų | 104.3 | 34% | 0.34 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -101.2 | -9.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N239 P240 | N239-G242 PolarHBondContact O-N 2.73Å; P240-G242 VanDerWaalsContact C-N 3.31Å |
| 243 | G | 61.5 | Low | 69.4 | Low | 68 Ų | 68 | 102.5 Ų | 102.5 | 70% | 0.701 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -114.4 | -24 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | N239 | N239-G243 PolarHBondContact O-N 3.02Å |
| 244 | K | 57.2 | Low | 67.3 | Low | 176 Ų | 176 | 104.3 Ų | 104.3 | 77% | 0.765 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -140.9 | -10.5 | -166.1 | 52.1 | -167.5 | 170.2 | -169.7 | 0 | 116.8 | G246 | K244-G246 VanDerWaalsContact C-N 3.32Å; K244-G246 PolarHBondContact O-N 3.35Å |
| 245 | S | 51 | Low | 65.2 | Low | 63 Ų | 63 | 108 Ų | 108 | 44% | 0.441 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -75.4 | 81.1 | 165.5 | 49.8 | 0 | 0 | 0 | 0 | 110.4 | E241 K247 | E241-S245 PolarHBondContact O-OG 2.64Å; S245-K247 PolarHBondContact O-N 3.44Å |
| 246 | G | 50.5 | Low | 63.1 | Low | 71 Ų | 71 | 114.4 Ų | 114.4 | 73% | 0.732 | 63% | 0.626 | S | S | * | * | | | trans | -56.1 | 130.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K244 | K244-G246 VanDerWaalsContact C-N 3.32Å; K244-G246 PolarHBondContact O-N 3.35Å |
| 247 | K | 50.8 | Low | 60.7 | Low | 200 Ų | 200 | 119.4 Ų | 119.4 | 87% | 0.87 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 56 | 66.5 | -179.5 | -53.6 | 173.7 | -176.8 | 174.5 | 0 | 113.7 | S245 P249 | S245-K247 PolarHBondContact O-N 3.44Å; K247-P249 WeakPolarHBondContact O-CD 3.18Å |
| 248 | S | 42.7 | Very low | 58.4 | Low | 106 Ų | 106 | 123.8 Ų | 123.8 | 74% | 0.741 | 68% | 0.68 | S | S | * | * | | | trans | -45.1 | 113.7 | 166.5 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | R250 | S248-R250 PolarHBondContact O-N 3.08Š|
| 249 | P | 49.2 | Very low | 56 | Low | 114 Ų | 114 | 128 Ų | 128 | 74% | 0.74 | 70% | 0.703 | S | S | * | * | | | trans | -65.5 | 120.8 | -171.4 | -24.8 | 35.5 | 0 | 0 | 0 | 110.5 | K247 R251 | K247-P249 WeakPolarHBondContact O-CD 3.18Å; P249-R251 PolarHBondContact O-N 3.46Å |
| 250 | R | 55.2 | Low | 53.5 | Low | 243 Ų | 243 | 129.6 Ų | 129.6 | 92% | 0.917 | 72% | 0.717 | S | S | * | * | | | trans | -53.6 | 116.8 | 174.3 | 177.7 | 176.5 | -73.9 | -173.8 | -3 | 108.2 | S248 R252 | S248-R250 PolarHBondContact O-N 3.08Å; R250-R252 PolarHBondContact O-N 2.92Å; R250-R252 VanDerWaalsContact O-N 3.13Å |
| 251 | R | 53.8 | Low | 51.3 | Low | 241 Ų | 241 | 135 Ų | 135 | 91% | 0.909 | 73% | 0.734 | S | S | * | * | | | trans | -38.9 | 114.7 | -173 | -73.2 | 177.7 | 165.2 | -161.8 | -4 | 112.2 | P249 | P249-R251 PolarHBondContact O-N 3.46Š|
| 252 | R | 52.6 | Low | 49.9 | Very low | 245 Ų | 245 | 136.9 Ų | 136.9 | 93% | 0.925 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 134.6 | 136.6 | -64.4 | -167.8 | -175.5 | 109.2 | -1.1 | 106.1 | R250 A254 | R250-R252 PolarHBondContact O-N 2.92Å; R250-R252 VanDerWaalsContact O-N 3.13Å; R252-A254 PolarHBondContact O-N 3.28Å |
| 253 | A | 55.7 | Low | 49.2 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 127.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 254 | A | 47.2 | Very low | 48.2 | Very low | 96 Ų | 96 | 147.4 Ų | 147.4 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 127.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | R252 | R252-A254 PolarHBondContact O-N 3.28Š|
| 255 | S | 49.9 | Very low | 47.4 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 149.6 | 165.1 | -179.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 256 | M | 52.1 | Low | 46.7 | Very low | 173 Ų | 173 | 153.9 Ų | 153.9 | 85% | 0.852 | 80% | 0.802 | S | S | * | * | | | trans | -94.7 | 92.4 | 171.9 | -78.9 | 172.5 | 50.5 | 0 | 0 | 110.2 | N258 | M256-N258 PolarHBondContact O-N 2.89Š|
| 257 | D | 46.5 | Very low | 46 | Very low | 145 Ų | 145 | 154 Ų | 154 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | | | trans | -80 | 97 | 170.9 | 2.4 | -70.9 | 0 | 0 | 0 | 110.2 | N259 | D257-N259 PolarHBondContact O-N 2.86Š|
| 258 | N | 46.7 | Very low | 45.4 | Very low | 145 Ų | 145 | 156.5 Ų | 156.5 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | | | trans | -89.3 | 100.9 | -176.1 | -165.5 | -18.8 | 0 | 0 | 0 | 111.5 | M256 | M256-N258 PolarHBondContact O-N 2.89Š|
| 259 | N | 44.8 | Very low | 45.1 | Very low | 125 Ų | 125 | 156.2 Ų | 156.2 | 67% | 0.668 | 81% | 0.81 | S | S | * | * | | | trans | -126.2 | 58.7 | -178.8 | -167.8 | -0.6 | 0 | 0 | 0 | 113.1 | D257 | D257-N259 PolarHBondContact O-N 2.86Š|
| 260 | S | 37.9 | Very low | 44.5 | Very low | 75 Ų | 75 | 155.7 Ų | 155.7 | 52% | 0.524 | 82% | 0.815 | S | S | . | * | | | trans | -99 | 81.1 | 165.8 | -166.6 | 0 | 0 | 0 | 0 | 111.3 | F262 | S260-F262 VanDerWaalsContact C-N 3.32Å; S260-F262 PolarHBondContact O-N 3.05Å; S260-F262 VanDerWaalsContact OG-CE2 3.29Å; S260-F262 WeakPolarHBondContact OG-CE2 3.47Å |
| 261 | K | 38.9 | Very low | 43.9 | Very low | 180 Ų | 180 | 154.3 Ų | 154.3 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | | | trans | -73.8 | 75.4 | 178.9 | 48.2 | -179.1 | 171.4 | -179.5 | 0 | 112.4 | S263 | K261-S263 PolarHBondContact O-N 2.95Å; K261-S263 VanDerWaalsContact O-N 3.14Å |
| 262 | F | 42.6 | Very low | 43.2 | Very low | 177 Ų | 177 | 152.7 Ų | 152.7 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | | | trans | -62.9 | 109.5 | 176.2 | -79 | -74 | 0 | 0 | 0 | 112.8 | S260 K264 | S260-F262 VanDerWaalsContact C-N 3.32Å; S260-F262 PolarHBondContact O-N 3.05Å; S260-F262 VanDerWaalsContact OG-CE2 3.29Å; S260-F262 WeakPolarHBondContact OG-CE2 3.47Å; F262-K264 VanDerWaalsContact C-N 3.35Å; F262-K264 PolarHBondContact O-N 3.02Å |
| 263 | S | 46.5 | Very low | 42.5 | Very low | 124 Ų | 124 | 150.5 Ų | 150.5 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | | | trans | -71.8 | 81.2 | 169.1 | 42.2 | 0 | 0 | 0 | 0 | 111.6 | K261 | K261-S263 PolarHBondContact O-N 2.95Å; K261-S263 VanDerWaalsContact O-N 3.14Å |
| 264 | K | 40.3 | Very low | 41.5 | Very low | 198 Ų | 198 | 152.6 Ų | 152.6 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | | | trans | -101.3 | 98.3 | 176 | -132.2 | 162 | -170.8 | 166.6 | 0 | 111 | F262 | F262-K264 VanDerWaalsContact C-N 3.35Å; F262-K264 PolarHBondContact O-N 3.02Å |
| 265 | S | 41.2 | Very low | 40.8 | Very low | 120 Ų | 120 | 153.6 Ų | 153.6 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | trans | -70.1 | 157.1 | -176.9 | 50 | 0 | 0 | 0 | 0 | 113.2 | | |
| 266 | R | 36.1 | Very low | 40.3 | Very low | 255 Ų | 255 | 157 Ų | 157 | 96% | 0.962 | 82% | 0.82 | S | S | * | * | | | trans | -88.2 | 121.1 | -168.8 | -179.9 | 177.7 | -179.3 | 161.2 | -2.2 | 111.2 | | |
| 267 | G | 36.4 | Very low | 39.7 | Very low | 72 Ų | 72 | 158.1 Ų | 158.1 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | | | trans | -153.2 | 101.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 268 | R | 38.1 | Very low | 38.8 | Very low | 254 Ų | 254 | 154.9 Ų | 154.9 | 96% | 0.958 | 82% | 0.824 | S | S | * | * | | | trans | -146.8 | 131.9 | 159.6 | -71.4 | -166.2 | -176.4 | -139.2 | 2.5 | 108.4 | | |
| 269 | A | 35.4 | Very low | 38.1 | Very low | 100 Ų | 100 | 151.4 Ų | 151.4 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | | | trans | -139 | 149.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 270 | A | 36 | Very low | 38.2 | Very low | 102 Ų | 102 | 150.6 Ų | 150.6 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | | | trans | 47.2 | 92.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 271 | K | 42.6 | Very low | 38 | Very low | 215 Ų | 215 | 154.5 Ų | 154.5 | 94% | 0.935 | 84% | 0.839 | S | S | * | * | | | trans | -57.6 | 121 | 152.8 | 159.9 | -164.1 | 172.5 | -178.1 | 0 | 112 | | |
| 272 | K | 40.3 | Very low | 37.7 | Very low | 207 Ų | 207 | 149.6 Ų | 149.6 | 90% | 0.9 | 84% | 0.84 | S | S | * | * | | | trans | -167.8 | 110.1 | 152.7 | -144.5 | 179.4 | -175.8 | -177.4 | 0 | 116.8 | | |
| 273 | K | 37.9 | Very low | 37.3 | Very low | 198 Ų | 198 | 147.3 Ų | 147.3 | 86% | 0.861 | 85% | 0.845 | S | S | * | * | | | trans | -176 | 106.5 | 140.6 | -144.7 | 174.3 | -179.9 | -176.2 | 0 | 105.7 | | |
| 274 | L | 34.6 | Very low | 36.9 | Very low | 146 Ų | 146 | 145.1 Ų | 145.1 | 76% | 0.764 | 84% | 0.835 | S | S | * | * | | | | 62.7 | 90.9 | 70.4 | -160.3 | 80.8 | 0 | 0 | 0 | 112.4 | | |
| 275 | S | 31.4 | Very low | 36.6 | Very low | 118 Ų | 118 | 143 Ų | 143 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | | | trans | -97.7 | 141.5 | 164.9 | 46.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 276 | L | 39.8 | Very low | 36.6 | Very low | 167 Ų | 167 | 142.2 Ų | 142.2 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | | | trans | -123.7 | 144.3 | 170.4 | -98.5 | 153.6 | 0 | 0 | 0 | 108 | | |
| 277 | Q | 39 | Very low | 37.2 | Very low | 197 Ų | 197 | 136.1 Ų | 136.1 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | | | trans | -130.7 | 142.5 | -173.5 | -176.6 | 91.7 | 69.5 | 0 | 0 | 108.7 | | |
| 278 | G | 29.2 | Very low | 36.9 | Very low | 77 Ų | 77 | 136.3 Ų | 136.3 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | | | trans | 114.4 | 144.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 279 | G | 30.8 | Very low | 36.5 | Very low | 72 Ų | 72 | 129 Ų | 129 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | | | cis | -143 | -162.4 | 7.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 280 | P | 47.3 | Very low | 36.2 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 71% | 0.708 | 81% | 0.809 | S | S | * | * | | | trans | -100.6 | -161 | -157.3 | 39.3 | -35.2 | 0 | 0 | 0 | 115.1 | | |
| 281 | D | 32.8 | Very low | 36.3 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | | | trans | 78.1 | 141.9 | 168.1 | -41.3 | -37 | 0 | 0 | 0 | 116.5 | | |
| 282 | G | 33.3 | Very low | 35.7 | Very low | 77 Ų | 77 | 133.5 Ų | 133.5 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | cis | 144.7 | 83.9 | -8.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 283 | S | 34.6 | Very low | 35.8 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | | | trans | -161.8 | 170.9 | 170 | -158 | 0 | 0 | 0 | 0 | 113.6 | | |
| 284 | A | 37.1 | Very low | 36.1 | Very low | 79 Ų | 79 | 131.6 Ų | 131.6 | 65% | 0.653 | 80% | 0.802 | S | S | * | * | | | trans | -70.6 | 168.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 285 | D | 33.8 | Very low | 35.9 | Very low | 153 Ų | 153 | 127.2 Ų | 127.2 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | cis | -162.6 | -169.1 | 47 | -130.4 | -53.3 | 0 | 0 | 0 | 114.5 | | |
| 286 | S | 42.6 | Very low | 36 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | trans | -149.9 | 174.8 | 176 | -71.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 287 | P | 47.1 | Very low | 36.3 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | | | cis | -130.5 | 176.8 | -5.8 | 40.5 | -24.5 | 0 | 0 | 0 | 115.3 | | |
| 288 | G | 30.4 | Very low | 35.9 | Very low | 76 Ų | 76 | 122.9 Ų | 122.9 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | | | trans | 78.7 | 177.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 289 | S | 29.4 | Very low | 36.1 | Very low | 100 Ų | 100 | 123.9 Ų | 123.9 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | | | cis | -158.6 | 147.9 | -18.6 | -159.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 290 | Y | 30 | Very low | 36.2 | Very low | 201 Ų | 201 | 129 Ų | 129 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | | | trans | 42.5 | 129.6 | 171.5 | 63.9 | -101.1 | 0 | 0 | 0 | 121.9 | | |
| 291 | S | 37.3 | Very low | 35.3 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | trans | 56.9 | 131.7 | 134 | -58.9 | 0 | 0 | 0 | 0 | 123.2 | | |
| 292 | K | 31.4 | Very low | 35.1 | Very low | 197 Ų | 197 | 127.6 Ų | 127.6 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | | | | 125.5 | 133.7 | 125.8 | -156.4 | 170.9 | -175.2 | 179.5 | 0 | 115.4 | | |
| 293 | W | 41.7 | Very low | 35 | Very low | 235 Ų | 235 | 130.4 Ų | 130.4 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | | | trans | -54.4 | 157.7 | -179 | -58 | 81.9 | 0 | 0 | 0 | 115.5 | | |
| 294 | P | 45 | Very low | 34.9 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | | | | -112.2 | 154.3 | 115.1 | 35 | -33.9 | 0 | 0 | 0 | 111.3 | | |
| 295 | G | 29.8 | Very low | 34.6 | Very low | 55 Ų | 55 | 137.6 Ų | 137.6 | 57% | 0.567 | 78% | 0.776 | S | S | * | * | | | trans | -140 | -173.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 296 | S | 33.9 | Very low | 34.7 | Very low | 122 Ų | 122 | 137 Ų | 137 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | 82.1 | 159.5 | -177 | -35.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 297 | P | 46.6 | Very low | 34.3 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | | | | -138.5 | 160.4 | -50.1 | 37.1 | -22.8 | 0 | 0 | 0 | 113.7 | | |
| 298 | N | 29.5 | Very low | 33.8 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | | | | -177.5 | 162.3 | 119.2 | -102.5 | 14 | 0 | 0 | 0 | 112.9 | | |
| 299 | S | 33.2 | Very low | 34 | Very low | 98 Ų | 98 | 144.7 Ų | 144.7 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | | | trans | -108.1 | 177.7 | -167.7 | -58.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 300 | H | 33.1 | Very low | 34.1 | Very low | 181 Ų | 181 | 143 Ų | 143 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | | | trans | 87.2 | 134.6 | 165.7 | -52.7 | -79.7 | 0 | 0 | 0 | 117.2 | | |
| 301 | S | 29.2 | Very low | 34.1 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | cis | -170.2 | 156 | -13.3 | 48.3 | 0 | 0 | 0 | 0 | 113 | | |
| 302 | N | 28.4 | Very low | 34.2 | Very low | 132 Ų | 132 | 147 Ų | 147 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | 85.5 | 104.8 | 148.6 | -158.9 | -129.2 | 0 | 0 | 0 | 118.4 | | |
| 303 | D | 31.6 | Very low | 34.9 | Very low | 135 Ų | 135 | 143.1 Ų | 143.1 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | trans | 66.3 | 84.6 | 140.2 | -53.7 | 4.1 | 0 | 0 | 0 | 120.3 | | |
| 304 | D | 31.3 | Very low | 34.5 | Very low | 148 Ų | 148 | 143 Ų | 143 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | -67.9 | 132.8 | 150.9 | -109.5 | -88.3 | 0 | 0 | 0 | 111 | | |
| 305 | Y | 32 | Very low | 34.1 | Very low | 210 Ų | 210 | 142.5 Ų | 142.5 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | trans | -144.9 | 143.7 | 161.1 | -118.3 | -90.6 | 0 | 0 | 0 | 110.4 | | |
| 306 | D | 36 | Very low | 34.4 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | | | trans | 60.3 | 59.4 | 172.1 | -66.9 | -52.2 | 0 | 0 | 0 | 118.8 | W308 | D306-W308 VanDerWaalsContact C-N 3.35Å; D306-W308 PolarHBondContact O-N 3.1Å; D306-W308 VanDerWaalsContact O-N 3.12Å |
| 307 | A | 33.6 | Very low | 34.4 | Very low | 86 Ų | 86 | 145 Ų | 145 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | trans | -79.4 | 69.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 308 | W | 36.3 | Very low | 34 | Very low | 226 Ų | 226 | 147.4 Ų | 147.4 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | -136 | 147.4 | 167.2 | -84.9 | 91.1 | 0 | 0 | 0 | 113.1 | D306 | D306-W308 VanDerWaalsContact C-N 3.35Å; D306-W308 PolarHBondContact O-N 3.1Å; D306-W308 VanDerWaalsContact O-N 3.12Å |
| 309 | N | 35.5 | Very low | 34.2 | Very low | 158 Ų | 158 | 144.7 Ų | 144.7 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | 85.2 | 60.1 | 177.6 | -53.9 | -77.5 | 0 | 0 | 0 | 118.6 | | |
| 310 | G | 31.4 | Very low | 34.3 | Very low | 63 Ų | 63 | 144.9 Ų | 144.9 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | | | trans | -108 | 157.9 | 132.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 311 | F | 29.9 | Very low | 34.3 | Very low | 184 Ų | 184 | 142.8 Ų | 142.8 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | | | cis | -138.5 | 135.9 | 11.7 | -85 | -114.1 | 0 | 0 | 0 | 109.8 | | |
| 312 | R | 38.1 | Very low | 34.6 | Very low | 216 Ų | 216 | 144.1 Ų | 144.1 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | | | | 70.8 | 167.8 | 91.5 | -50.7 | -167.3 | -177.8 | -96.9 | -0.1 | 115 | | |
| 313 | P | 46.5 | Very low | 34.9 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | | -138.6 | -173.5 | -92 | 40.6 | -20.2 | 0 | 0 | 0 | 114.8 | | |
| 314 | R | 34.3 | Very low | 34.8 | Very low | 233 Ų | 233 | 140.5 Ų | 140.5 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | | | trans | -156.6 | 144.1 | 152.4 | -123.1 | 168.2 | 162.9 | 96.2 | -1.8 | 114.8 | | |
| 315 | T | 35.5 | Very low | 35.2 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | | | trans | 6.5 | 129.2 | 168.5 | 54.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 316 | S | 37.3 | Very low | 35.2 | Very low | 105 Ų | 105 | 143.6 Ų | 143.6 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | cis | 89.5 | 81 | 24.3 | 87 | 0 | 0 | 0 | 0 | 118.2 | | |
| 317 | S | 32.4 | Very low | 35.1 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | | | trans | -175.8 | 130.1 | 141.7 | -77.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 318 | N | 38.2 | Very low | 35.2 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | | | cis | 96.6 | 76.6 | 22.9 | -166.9 | 65.2 | 0 | 0 | 0 | 115.8 | | |
| 319 | A | 33.8 | Very low | 34.8 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -162.5 | 157.4 | 152.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 320 | S | 35.2 | Very low | 34.7 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | | | trans | -135.3 | 146.4 | -176.4 | -57 | 0 | 0 | 0 | 0 | 111.3 | | |
| 321 | T | 34.8 | Very low | 35.6 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | trans | 58.2 | 147.3 | 153 | 56.4 | 0 | 0 | 0 | 0 | 117.7 | | |
| 322 | V | 35.5 | Very low | 35.6 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | | | cis | -159.5 | 172.4 | 26.2 | 79.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 323 | S | 34 | Very low | 35.5 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | 0.7 | 130.2 | 157.5 | -167.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 324 | G | 30.3 | Very low | 34.8 | Very low | 76 Ų | 76 | 140.2 Ų | 140.2 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | | | trans | -179 | 91.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 325 | R | 38 | Very low | 35 | Very low | 250 Ų | 250 | 136.2 Ų | 136.2 | 94% | 0.943 | 80% | 0.798 | S | S | * | * | | | trans | -78.5 | 135.7 | 158.4 | -82.6 | -179.7 | 167 | -120.3 | 2.1 | 108.7 | | |
| 326 | L | 32.2 | Very low | 34.9 | Very low | 173 Ų | 173 | 133.3 Ų | 133.3 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | | | trans | -171.8 | 160.5 | 136.5 | -102.2 | 167.6 | 0 | 0 | 0 | 110.1 | | |
| 327 | S | 35.4 | Very low | 34.5 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | | | trans | -94.1 | 158.9 | -165.3 | -46.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 328 | P | 34.8 | Very low | 34.5 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | | | trans | -102.8 | 112.6 | 163.7 | 34.9 | -25.9 | 0 | 0 | 0 | 112.6 | | |
| 329 | F | 27.2 | Very low | 34.1 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | | | trans | -157.1 | 155.3 | 161.1 | -75.3 | -67 | 0 | 0 | 0 | 105 | | |
| 330 | V | 33.5 | Very low | 34.1 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | | | cis | -143 | -164.8 | 11.8 | -123.3 | 0 | 0 | 0 | 0 | 106.2 | | |
| 331 | P | 50.3 | Low | 33.8 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | | | cis | -128.1 | 157.2 | 3.5 | 41.1 | -25.1 | 0 | 0 | 0 | 116.4 | | |
| 332 | E | 31.2 | Very low | 33.7 | Very low | 194 Ų | 194 | 140.1 Ų | 140.1 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | | | | -153.1 | 150.3 | 124.1 | -114.9 | 169.3 | 135.3 | 0 | 0 | 108 | | |
| 333 | D | 34.3 | Very low | 33.3 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | -115.4 | 168.9 | -169.1 | -78.3 | -81.2 | 0 | 0 | 0 | 111.8 | | |
| 334 | D | 33.4 | Very low | 33.2 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | | | trans | 87.9 | 111.7 | 152.4 | -124.4 | 33.8 | 0 | 0 | 0 | 121.1 | | |
| 335 | L | 38.2 | Very low | 33.9 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | 72.1 | 144.3 | 145.8 | -58.1 | 172.3 | 0 | 0 | 0 | 123.4 | | |
| 336 | G | 32.6 | Very low | 33.5 | Very low | 57 Ų | 57 | 135.5 Ų | 135.5 | 59% | 0.588 | 77% | 0.767 | S | S | * | * | | | trans | 80.7 | 120.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 337 | E | 30.2 | Very low | 33.7 | Very low | 176 Ų | 176 | 132 Ų | 132 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | cis | 80.4 | 141.2 | 33.3 | 103 | -163.9 | 101.2 | 0 | 0 | 115.1 | | |
| 338 | S | 31.7 | Very low | 34.4 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | | | trans | 62.3 | 133.1 | -158.7 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 339 | D | 30.1 | Very low | 34.3 | Very low | 137 Ų | 137 | 131.2 Ų | 131.2 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | | | cis | 89.1 | 123.8 | 41.6 | -164.7 | -126 | 0 | 0 | 0 | 113.9 | | |
| 340 | V | 33.1 | Very low | 34.8 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | 50.4 | 151.8 | 173.1 | -64.3 | 0 | 0 | 0 | 0 | 122.5 | | |
| 341 | H | 29.1 | Very low | 34.7 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 75% | 0.745 | 76% | 0.761 | S | S | * | * | | | trans | 103.9 | 114.9 | 135.1 | -146 | 67.1 | 0 | 0 | 0 | 120.4 | | |
| 342 | M | 33 | Very low | 34 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 80% | 0.803 | 77% | 0.769 | S | S | * | * | | | trans | 66.3 | 156 | 152.3 | -70 | -71.2 | -117.9 | 0 | 0 | 119.2 | | |
| 343 | G | 26.8 | Very low | 33.9 | Very low | 61 Ų | 61 | 128.9 Ų | 128.9 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | | | cis | 167.5 | 176.3 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 344 | Y | 31.6 | Very low | 33.7 | Very low | 221 Ų | 221 | 126.1 Ų | 126.1 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | | | trans | -131.4 | 138.1 | 173.1 | -132.3 | -99.7 | 0 | 0 | 0 | 110.3 | | |
| 345 | P | 45.7 | Very low | 33.8 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | | | trans | -76.4 | 161.1 | 176.9 | 33 | -36.1 | 0 | 0 | 0 | 111.5 | | |
| 346 | G | 28.9 | Very low | 33.6 | Very low | 75 Ų | 75 | 127.3 Ų | 127.3 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | cis | -175.2 | 158.5 | -2.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 347 | A | 35.8 | Very low | 33.9 | Very low | 101 Ų | 101 | 131 Ų | 131 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | trans | -87.8 | -167.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 348 | P | 50.3 | Low | 33.8 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | | | cis | -114.3 | 179.3 | 20.4 | 42.1 | -30.7 | 0 | 0 | 0 | 113.8 | | |
| 349 | G | 33.4 | Very low | 33.9 | Very low | 70 Ų | 70 | 129.6 Ų | 129.6 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | cis | 171.6 | 178.4 | 0.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 350 | S | 37.2 | Very low | 34 | Very low | 99 Ų | 99 | 128 Ų | 128 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | | | cis | -159.5 | 128.2 | 0.6 | -91.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 351 | K | 32.4 | Very low | 33.9 | Very low | 180 Ų | 180 | 130.8 Ų | 130.8 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | | | trans | 17.3 | 142.3 | 139.6 | 51.8 | 179.8 | 173.3 | -172.7 | 0 | 121.4 | | |
| 352 | M | 34.1 | Very low | 34.2 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | | -174.3 | 109 | 123.8 | -89.6 | -67.6 | -173 | 0 | 0 | 113.8 | | |
| 353 | T | 29.5 | Very low | 34 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | trans | 46.1 | 112 | 139.1 | 65.4 | 0 | 0 | 0 | 0 | 125.8 | | |
| 354 | A | 30.8 | Very low | 34.1 | Very low | 90 Ų | 90 | 132.3 Ų | 132.3 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | | | | 87.1 | 151.1 | 109.3 | 0 | 0 | 0 | 0 | 0 | 125.3 | | |
| 355 | T | 34.9 | Very low | 34.2 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | 80.6 | 143.8 | 166 | 60.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 356 | L | 33.8 | Very low | 33.6 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | | | trans | -109.4 | 159 | -179.5 | -58.5 | 170.7 | 0 | 0 | 0 | 109.8 | | |
| 357 | P | 39.6 | Very low | 33.8 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | | | | -143.1 | -179.6 | 89.3 | 38.6 | -22.7 | 0 | 0 | 0 | 115.2 | | |
| 358 | S | 28.7 | Very low | 33.6 | Very low | 106 Ų | 106 | 134 Ų | 134 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | | | trans | -84 | 145.6 | -176.6 | -179.8 | 0 | 0 | 0 | 0 | 114 | | |
| 359 | L | 33.2 | Very low | 32.7 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | | -171.1 | 125.8 | 120.1 | -100.3 | 169.3 | 0 | 0 | 0 | 113.1 | | |
| 360 | T | 31.9 | Very low | 32.6 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 63% | 0.626 | 80% | 0.801 | S | S | * | * | | | trans | 35.8 | 124.3 | 139.9 | -52.2 | 0 | 0 | 0 | 0 | 122.6 | | |
| 361 | E | 30.5 | Very low | 32.3 | Very low | 180 Ų | 180 | 138 Ų | 138 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | | | trans | 75.4 | 159.6 | 153.3 | -74.7 | 170.7 | 141.4 | 0 | 0 | 121.5 | | |
| 362 | M | 36.4 | Very low | 32.5 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 96% | 0.961 | 81% | 0.805 | S | S | * | * | | | trans | 56.6 | 92.6 | -179.4 | 70.7 | 172.5 | -168.8 | 0 | 0 | 120 | | |
| 363 | T | 28.2 | Very low | 32.9 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 93% | 0.933 | 81% | 0.809 | S | S | * | * | | | trans | -150.3 | 149.1 | 145.1 | -166.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 364 | G | 29.8 | Very low | 33.4 | Very low | 69 Ų | 69 | 137.9 Ų | 137.9 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | | | cis | -138.4 | -175.8 | 3.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 365 | S | 33.8 | Very low | 34.3 | Very low | 122 Ų | 122 | 142 Ų | 142 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | | | trans | -97.3 | 161.9 | -169.5 | -167.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 366 | L | 31.9 | Very low | 34.4 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | | | trans | 70.7 | 73.6 | 156.6 | -159.4 | 65.4 | 0 | 0 | 0 | 117.4 | | |
| 367 | G | 32.9 | Very low | 35 | Very low | 58 Ų | 58 | 141.6 Ų | 141.6 | 60% | 0.598 | 81% | 0.81 | S | S | * | * | | | trans | -152.7 | 158.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 368 | H | 33.2 | Very low | 35.4 | Very low | 198 Ų | 198 | 143.5 Ų | 143.5 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | | | trans | 73.7 | 116.6 | 173.5 | -53.1 | -74.3 | 0 | 0 | 0 | 117.8 | | |
| 369 | S | 29.8 | Very low | 36.1 | Very low | 114 Ų | 114 | 145 Ų | 145 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | | | trans | -74.8 | 143 | 169.9 | 163.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 370 | S | 32 | Very low | 36.2 | Very low | 98 Ų | 98 | 144.8 Ų | 144.8 | 69% | 0.685 | 81% | 0.811 | S | S | * | * | | | trans | 19.8 | 117.8 | 155 | -166.9 | 0 | 0 | 0 | 0 | 118.5 | | |
| 371 | E | 30.9 | Very low | 36.8 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | | | trans | -68.8 | -164.5 | 160.2 | -62.5 | 149.8 | 125.7 | 0 | 0 | 111.6 | | |
| 372 | N | 35.9 | Very low | 37 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | | | trans | 97.8 | 29.7 | 165.7 | -48.8 | -36.4 | 0 | 0 | 0 | 119.9 | | |
| 373 | V | 44.4 | Very low | 37.1 | Very low | 149 Ų | 149 | 143.8 Ų | 143.8 | 90% | 0.903 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -134.7 | 46.8 | 166.7 | -155.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 374 | M | 39.7 | Very low | 37.3 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -141.3 | 9.2 | 166.8 | -149.2 | 170.3 | -70.1 | 0 | 0 | 114.7 | | |
| 375 | E | 48.8 | Very low | 37.4 | Very low | 177 Ų | 177 | 145.6 Ų | 145.6 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -109.1 | 43.2 | -178 | -78.8 | -69.9 | 157.9 | 0 | 0 | 111.8 | | |
| 376 | N | 37.3 | Very low | 37.5 | Very low | 141 Ų | 141 | 146 Ų | 146 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | | | trans | -155.9 | 46.2 | 175.6 | -137.1 | -73.9 | 0 | 0 | 0 | 114.4 | | |
| 377 | L | 46.7 | Very low | 37.3 | Very low | 163 Ų | 163 | 145 Ų | 145 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -129.1 | 18.7 | 173.9 | -77.8 | 173.7 | 0 | 0 | 0 | 113.1 | | |
| 378 | L | 48.2 | Very low | 37.2 | Very low | 174 Ų | 174 | 149.1 Ų | 149.1 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -118.1 | 7.2 | -180 | -70.4 | 177.3 | 0 | 0 | 0 | 114.2 | | |
| 379 | D | 41.9 | Very low | 37 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -107.4 | 146.4 | 173.4 | -120.4 | -45.6 | 0 | 0 | 0 | 111.5 | | |
| 380 | N | 36 | Very low | 37.3 | Very low | 153 Ų | 153 | 147.5 Ų | 147.5 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | 72 | 47.4 | -172.7 | -55.2 | -84.6 | 0 | 0 | 0 | 117 | | |
| 381 | L | 44.4 | Very low | 37.3 | Very low | 173 Ų | 173 | 149.6 Ų | 149.6 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | | | trans | -96.3 | 76.5 | 150.1 | -142.8 | 84.9 | 0 | 0 | 0 | 110.6 | | |
| 382 | N | 35.6 | Very low | 37.4 | Very low | 145 Ų | 145 | 144.9 Ų | 144.9 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | | | trans | -156.6 | 145.8 | 169.6 | -123.7 | -43.1 | 0 | 0 | 0 | 114.9 | | |
| 383 | L | 37.4 | Very low | 37.1 | Very low | 139 Ų | 139 | 142 Ų | 142 | 73% | 0.728 | 81% | 0.811 | S | S | * | * | | | trans | 65.1 | 84.8 | 165.2 | -52.5 | -176.9 | 0 | 0 | 0 | 120.1 | | |
| 384 | L | 32.9 | Very low | 36.5 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | | 53.4 | 112.7 | 116.6 | -66 | 167.7 | 0 | 0 | 0 | 121.7 | | |
| 385 | S | 32.2 | Very low | 36.3 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | 68.6 | 143.9 | 132.5 | -62 | 0 | 0 | 0 | 0 | 121.2 | | |
| 386 | P | 35.1 | Very low | 35.7 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | | | trans | -80.5 | 148.6 | 179.7 | 34.2 | -35.4 | 0 | 0 | 0 | 112.1 | | |
| 387 | N | 27.3 | Very low | 35.6 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | | | trans | -114.9 | 138 | 164.6 | -160.8 | 11.6 | 0 | 0 | 0 | 110.3 | | |
| 388 | N | 31.2 | Very low | 35.7 | Very low | 145 Ų | 145 | 131 Ų | 131 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | | | trans | -85.1 | 140.5 | 176.4 | -175 | 14.6 | 0 | 0 | 0 | 109.2 | | |
| 389 | S | 30.2 | Very low | 34.8 | Very low | 108 Ų | 108 | 126 Ų | 126 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -154.5 | 119.4 | 177.6 | -72.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 390 | Q | 34.6 | Very low | 34.3 | Very low | 171 Ų | 171 | 125 Ų | 125 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | | | trans | -127.4 | 129.2 | 179.5 | 177.5 | -178.2 | 26.9 | 0 | 0 | 108.9 | | |
| 391 | V | 33.6 | Very low | 34.1 | Very low | 141 Ų | 141 | 122 Ų | 122 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | | | trans | 66 | 148.5 | 162.7 | 166.6 | 0 | 0 | 0 | 0 | 117.8 | | |
| 392 | G | 31.3 | Very low | 33.5 | Very low | 71 Ų | 71 | 123 Ų | 123 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | | | trans | 106.5 | 97.9 | 148.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 393 | G | 31.5 | Very low | 33.3 | Very low | 85 Ų | 85 | 121.3 Ų | 121.3 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | | | trans | -89.6 | -167.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 394 | G | 31.3 | Very low | 33.1 | Very low | 76 Ų | 76 | 120 Ų | 120 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | | | trans | 121.6 | 36.3 | 150.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 395 | A | 35.6 | Very low | 34.1 | Very low | 92 Ų | 92 | 118.7 Ų | 118.7 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | | | trans | 59.4 | 165.8 | 145.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 396 | T | 36 | Very low | 34.3 | Very low | 143 Ų | 143 | 118.7 Ų | 118.7 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | | | trans | 81.9 | 151.7 | 170.2 | 74.3 | 0 | 0 | 0 | 0 | 119 | | |
| 397 | T | 34.6 | Very low | 35.4 | Very low | 134 Ų | 134 | 118.1 Ų | 118.1 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | trans | -126 | -174.7 | -170.7 | 57.6 | 0 | 0 | 0 | 0 | 108 | | |
| 398 | P | 49.2 | Very low | 35.8 | Very low | 125 Ų | 125 | 118.2 Ų | 118.2 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | cis | -140.6 | -176 | 5.4 | 43.5 | -24.5 | 0 | 0 | 0 | 116.7 | | |
| 399 | G | 28.8 | Very low | 36 | Very low | 69 Ų | 69 | 119.2 Ų | 119.2 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | 123.5 | 115.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 400 | S | 31.9 | Very low | 36.6 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | | 73.4 | 123.7 | 71.1 | 170.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 401 | S | 31.1 | Very low | 37 | Very low | 91 Ų | 91 | 119.9 Ų | 119.9 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | | | cis | -167 | 169.9 | -3.3 | -74.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 402 | Q | 32.3 | Very low | 37 | Very low | 192 Ų | 192 | 118.4 Ų | 118.4 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | | | trans | 73.7 | 148.6 | 165.4 | -57 | 179.7 | 99.7 | 0 | 0 | 116.7 | | |
| 403 | S | 31.7 | Very low | 38.1 | Very low | 111 Ų | 111 | 121.2 Ų | 121.2 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | cis | -160.2 | 156.6 | -9.7 | 43.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 404 | S | 33.1 | Very low | 37.9 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | | | trans | -78.4 | -173.7 | 171 | -42.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 405 | P | 53.4 | Low | 38.1 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | | | cis | -141.1 | -176.4 | 5 | 44.5 | -25.7 | 0 | 0 | 0 | 117.4 | | |
| 406 | S | 37.6 | Very low | 38.7 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | | | trans | -86.2 | 171.2 | 159.7 | -45 | 0 | 0 | 0 | 0 | 111.6 | | |
| 407 | P | 56.9 | Low | 38.3 | Very low | 119 Ų | 119 | 126.4 Ų | 126.4 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | | -151.9 | 141.6 | 99.5 | 35.6 | -16.1 | 0 | 0 | 0 | 118.8 | | |
| 408 | M | 35.8 | Very low | 38 | Very low | 153 Ų | 153 | 130.4 Ų | 130.4 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | | | trans | -13.3 | 142.8 | 148.8 | 57.5 | -178.3 | 78.9 | 0 | 0 | 122.6 | | |
| 409 | M | 36.3 | Very low | 37.1 | Very low | 166 Ų | 166 | 129 Ų | 129 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | | 170 | 170.8 | 109.9 | -92.1 | -62.2 | 151.5 | 0 | 0 | 115.8 | | |
| 410 | Q | 41.4 | Very low | 37.4 | Very low | 177 Ų | 177 | 131.2 Ų | 131.2 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | | | trans | -87 | -173.2 | -178.6 | -64.1 | -165.4 | -6.5 | 0 | 0 | 113.4 | | |
| 411 | P | 44.1 | Very low | 38.1 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | | | cis | -139.6 | -169.4 | 3.5 | 43.4 | -22.6 | 0 | 0 | 0 | 117.6 | | |
| 412 | S | 33.1 | Very low | 38.3 | Very low | 110 Ų | 110 | 132.9 Ų | 132.9 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -84.5 | -173.3 | 168.5 | -41.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 413 | P | 53.4 | Low | 38.3 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | cis | -136.8 | -177.3 | -0.6 | 43.5 | -26.1 | 0 | 0 | 0 | 116.1 | | |
| 414 | G | 28.6 | Very low | 38.2 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | | | trans | 176.5 | 130.5 | 166 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 415 | Y | 35.6 | Very low | 38.1 | Very low | 234 Ų | 234 | 131.4 Ų | 131.4 | 92% | 0.918 | 79% | 0.793 | S | S | * | * | | | trans | -119.1 | 168.2 | 162.1 | -95.5 | -73.1 | 0 | 0 | 0 | 106.8 | | |
| 416 | P | 46.8 | Very low | 36.8 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | | | cis | -153.3 | -172.7 | 37 | 44.4 | -22.3 | 0 | 0 | 0 | 119.1 | | |
| 417 | A | 28.7 | Very low | 36.3 | Very low | 83 Ų | 83 | 134.6 Ų | 134.6 | 69% | 0.686 | 80% | 0.798 | S | S | * | * | | | trans | 90.1 | 125.6 | 136.3 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 418 | Y | 29 | Very low | 34.8 | Very low | 218 Ų | 218 | 136.7 Ų | 136.7 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | trans | 84.8 | 100.9 | 133.4 | -95 | -116.9 | 0 | 0 | 0 | 123.8 | | |
| 419 | S | 29.4 | Very low | 34.5 | Very low | 95 Ų | 95 | 137.1 Ų | 137.1 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | | | | 74.5 | 130.4 | 114.5 | -57.5 | 0 | 0 | 0 | 0 | 123.1 | | |
| 420 | S | 34.9 | Very low | 34 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -67.1 | 164.7 | 159.2 | -38.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 421 | P | 46.4 | Very low | 33.4 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | | | | -145 | 175.5 | 94.9 | 39.7 | -25.5 | 0 | 0 | 0 | 114.9 | | |
| 422 | S | 35.8 | Very low | 32.7 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | trans | -116.2 | 125.5 | -178.8 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 423 | M | 33 | Very low | 32.5 | Very low | 197 Ų | 197 | 143.3 Ų | 143.3 | 97% | 0.97 | 80% | 0.796 | S | S | * | * | | | trans | -153.8 | 154.1 | 163.6 | -84.8 | -65.4 | -168.6 | 0 | 0 | 107.4 | | |
| 424 | G | 29 | Very low | 31.4 | Very low | 73 Ų | 73 | 142.6 Ų | 142.6 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | cis | -163.3 | -162.4 | 3.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 425 | S | 30.4 | Very low | 31.5 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -105.2 | 151.1 | -162.5 | 57.6 | 0 | 0 | 0 | 0 | 116.6 | | |
| 426 | Q | 27 | Very low | 31.2 | Very low | 188 Ų | 188 | 143.3 Ų | 143.3 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | trans | 178.1 | 162.7 | 149.6 | -103.2 | 170 | -2.1 | 0 | 0 | 109.1 | | |
| 427 | S | 26.8 | Very low | 30.5 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | cis | -168.1 | 174.1 | -33.8 | 45.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 428 | Q | 25.5 | Very low | 30.9 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | trans | -69.4 | 170.5 | -168.1 | -68.1 | -173.6 | -36.6 | 0 | 0 | 118 | | |
| 429 | Q | 28.2 | Very low | 31.1 | Very low | 162 Ų | 162 | 139.3 Ų | 139.3 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | | | trans | 83 | 90.7 | 144.4 | -83.2 | 158.7 | -4.2 | 0 | 0 | 121.3 | | |
| 430 | E | 26.5 | Very low | 31.5 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | | 30 | 124.3 | 113 | -178.7 | 166.8 | -150.4 | 0 | 0 | 120.9 | | |
| 431 | F | 28.8 | Very low | 31.7 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | | | | -173 | 150.2 | 126.1 | -116.4 | -63.7 | 0 | 0 | 0 | 115.4 | | |
| 432 | H | 30.1 | Very low | 31 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | | | trans | 70.8 | 146.4 | 164.3 | -45.1 | -51.3 | 0 | 0 | 0 | 117.1 | | |
| 433 | K | 28.5 | Very low | 30.8 | Very low | 194 Ų | 194 | 141 Ų | 141 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | | | cis | -156.6 | 156.4 | 12.5 | -142.9 | 169.1 | -175.8 | 176.8 | 0 | 111.9 | | |
| 434 | C | 29.6 | Very low | 30.9 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | | | trans | -24.6 | 148 | 177 | -41.9 | 0 | 0 | 0 | 0 | 117.9 | | |
| 435 | V | 30.9 | Very low | 32.3 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | | | cis | -162 | 163.5 | 48.9 | 173.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 436 | Y | 30.2 | Very low | 32.2 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 73% | 0.729 | 78% | 0.777 | S | S | * | * | | | cis | 150.6 | 136.6 | -29 | -173.2 | -86.5 | 0 | 0 | 0 | 107 | Q438 | Y436-Q438 HydrophobicContact CE1-CB 4.13Å; Y436-Q438 HydrophobicContact CE1-CG 4.25Å |
| 437 | G | 32.4 | Very low | 32.5 | Very low | 68 Ų | 68 | 140.3 Ų | 140.3 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | cis | -150.6 | -128.5 | -3 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 438 | Q | 36.2 | Very low | 33.9 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 71% | 0.71 | 77% | 0.772 | S | S | * | * | | | cis | -165.2 | 98.8 | -10.4 | -176.9 | -172.2 | -33.7 | 0 | 0 | 110.8 | Y436 | Y436-Q438 HydrophobicContact CE1-CB 4.13Å; Y436-Q438 HydrophobicContact CE1-CG 4.25Å |
| 439 | A | 34.3 | Very low | 34 | Very low | 111 Ų | 111 | 140 Ų | 140 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | | | trans | 64.5 | 147.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 440 | G | 36.3 | Very low | 34.5 | Very low | 63 Ų | 63 | 139.8 Ų | 139.8 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | | | cis | 162.8 | 161.6 | -13.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 441 | M | 39.3 | Very low | 34.6 | Very low | 175 Ų | 175 | 137.9 Ų | 137.9 | 86% | 0.862 | 77% | 0.773 | S | S | * | * | | | trans | 68.1 | 156.4 | 161.5 | 91.9 | 170.4 | 72.8 | 0 | 0 | 118.8 | | |
| 442 | N | 31.6 | Very low | 34.6 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | | | cis | -161.3 | 156 | -2 | -132.6 | -8.5 | 0 | 0 | 0 | 114.4 | | |
| 443 | T | 32 | Very low | 34.6 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | | | trans | 55.1 | 144.8 | 149.1 | 50.9 | 0 | 0 | 0 | 0 | 125.8 | | |
| 444 | L | 36.5 | Very low | 34.4 | Very low | 165 Ų | 165 | 132.7 Ų | 132.7 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | trans | -94.4 | -171.5 | 162.9 | -57.9 | 163.3 | 0 | 0 | 0 | 110.4 | | |
| 445 | P | 56.7 | Low | 34.4 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | cis | -139.8 | -165.6 | -4.6 | 43.1 | -23.5 | 0 | 0 | 0 | 116.2 | | |
| 446 | S | 29.4 | Very low | 34.8 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | trans | 100.9 | 151.2 | 149.6 | -158.3 | 0 | 0 | 0 | 0 | 122.1 | | |
| 447 | M | 33.4 | Very low | 35.7 | Very low | 165 Ų | 165 | 133 Ų | 133 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | trans | -88.2 | -176.2 | 167.9 | -50.2 | -89.8 | 98.1 | 0 | 0 | 110.3 | | |
| 448 | P | 54.8 | Low | 35.5 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | | | cis | -143.4 | -169.5 | 2.5 | 43.7 | -23.8 | 0 | 0 | 0 | 117.6 | | |
| 449 | L | 28.1 | Very low | 35.4 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | | | trans | 82.6 | 159.8 | 148.3 | -88.1 | 166.6 | 0 | 0 | 0 | 123.8 | | |
| 450 | Q | 39.7 | Very low | 35.5 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | | | trans | -64.9 | 157.4 | -176.1 | -105.2 | 98.8 | -12.4 | 0 | 0 | 116.5 | | |
| 451 | T | 28.3 | Very low | 36.3 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | | -178.2 | 161.8 | 107.9 | 34 | 0 | 0 | 0 | 0 | 115.7 | | |
| 452 | L | 27.6 | Very low | 36.1 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | | | trans | -16.1 | 164.3 | 142.3 | -64.4 | 161.9 | 0 | 0 | 0 | 118 | | |
| 453 | S | 30.2 | Very low | 36.4 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | | | cis | -174.1 | 163.5 | -18.4 | -171.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 454 | E | 25.7 | Very low | 36.3 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | | | trans | 54.4 | 117.5 | 148.7 | -170 | 174.4 | 116 | 0 | 0 | 122.5 | | |
| 455 | N | 29.9 | Very low | 36.1 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | | | | -166.4 | 167 | 115.8 | -115.7 | -75.4 | 0 | 0 | 0 | 115.8 | | |
| 456 | K | 37.3 | Very low | 34.8 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | | | trans | -146.7 | 159.4 | -176.6 | -146.6 | -169.7 | 176.4 | 175.8 | 0 | 109.2 | | |
| 457 | P | 49.8 | Very low | 35 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | | | | -152 | 176.2 | 86.3 | 37.3 | -16.9 | 0 | 0 | 0 | 116.1 | | |
| 458 | G | 28.4 | Very low | 35.5 | Very low | 52 Ų | 52 | 136.8 Ų | 136.8 | 54% | 0.536 | 78% | 0.775 | S | S | . | * | | | trans | 88.6 | 111.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 459 | F | 34 | Very low | 35 | Very low | 190 Ų | 190 | 137.8 Ų | 137.8 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | | | | 79.1 | 134 | 55.6 | -75.7 | -145.6 | 0 | 0 | 0 | 112.4 | | |
| 460 | V | 36.3 | Very low | 35.5 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | | | cis | -164.6 | 170.8 | -18.8 | -83.2 | 0 | 0 | 0 | 0 | 106.3 | | |
| 461 | P | 53.2 | Low | 35.3 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | | | cis | -108.2 | -173.6 | -11.8 | 41.1 | -29.2 | 0 | 0 | 0 | 111 | | |
| 462 | G | 34.9 | Very low | 35.8 | Very low | 68 Ų | 68 | 133.1 Ų | 133.1 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | cis | 131.2 | 149.4 | 6.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 463 | M | 37.3 | Very low | 36.2 | Very low | 190 Ų | 190 | 132.7 Ų | 132.7 | 94% | 0.936 | 79% | 0.787 | S | S | * | * | | | cis | -152.3 | 153.5 | -5.4 | -56.5 | 176.2 | 69.5 | 0 | 0 | 106.9 | | |
| 464 | G | 29.9 | Very low | 36.7 | Very low | 64 Ų | 64 | 135.7 Ų | 135.7 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | | | cis | -175.6 | 147.6 | -8.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 465 | Q | 33.2 | Very low | 37.2 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -107.9 | 139.9 | 176.4 | -73.1 | -175.3 | -13.5 | 0 | 0 | 110.8 | | |
| 466 | Y | 29.1 | Very low | 37.6 | Very low | 223 Ų | 223 | 138.1 Ų | 138.1 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | | | trans | -141 | 135.9 | 163.4 | -60.1 | -69.9 | 0 | 0 | 0 | 110 | | |
| 467 | S | 33.2 | Very low | 37.5 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | | | trans | -131.4 | 109.6 | 169.2 | -169.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 468 | C | 45.5 | Very low | 36.7 | Very low | 120 Ų | 120 | 137 Ų | 137 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | | | trans | 56.5 | 129 | 176.5 | -56.9 | 0 | 0 | 0 | 0 | 117.4 | | |
| 469 | P | 43 | Very low | 36.9 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | | -128 | 179.4 | 108.7 | 38.1 | -33.2 | 0 | 0 | 0 | 112.8 | | |
| 470 | A | 39.4 | Very low | 36.6 | Very low | 111 Ų | 111 | 138 Ų | 138 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | | | trans | -71.1 | 139.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 471 | G | 36 | Very low | 36.5 | Very low | 74 Ų | 74 | 137.6 Ų | 137.6 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | | | trans | -128 | 157.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 472 | L | 38.8 | Very low | 35.5 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | | | trans | -57.1 | 134.5 | -173.9 | -65.9 | 156 | 0 | 0 | 0 | 111.6 | | |
| 473 | L | 35.3 | Very low | 35.3 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | | | | 55 | 108.7 | 73.9 | -107.3 | 172.7 | 0 | 0 | 0 | 114.3 | | |
| 474 | K | 40.4 | Very low | 34.9 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 70% | 0.7 | 79% | 0.79 | S | S | * | * | | | trans | 66.5 | 57.5 | 142.4 | -157 | -162.2 | 176 | -162.6 | 0 | 118.1 | | |
| 475 | E | 36.7 | Very low | 34.8 | Very low | 190 Ų | 190 | 140.8 Ų | 140.8 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -133.5 | 28.3 | 164.7 | -147.2 | 175.2 | 176.8 | 0 | 0 | 114.3 | | |
| 476 | L | 39 | Very low | 34.6 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -121 | 8.7 | 168.7 | -94.9 | 172.6 | 0 | 0 | 0 | 113.7 | | |
| 477 | L | 33.9 | Very low | 34.7 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 71% | 0.712 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -138.7 | 94.6 | 170.8 | -73.6 | 176.6 | 0 | 0 | 0 | 109.6 | | |
| 478 | T | 34 | Very low | 34.5 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | | | trans | 34.5 | 108.3 | 149 | 57.9 | 0 | 0 | 0 | 0 | 117.4 | | |
| 479 | S | 32.5 | Very low | 35 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | | | trans | -122.2 | 125.7 | 152.1 | -61.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 480 | D | 26.9 | Very low | 34.3 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | | | trans | -138.4 | 137.2 | 164.1 | -174.4 | -107.3 | 0 | 0 | 0 | 106.1 | | |
| 481 | T | 35 | Very low | 34.1 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 69% | 0.693 | 76% | 0.757 | S | S | * | * | | | trans | -148.9 | 116.5 | -167.3 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 482 | D | 31 | Very low | 33.9 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 63% | 0.631 | 75% | 0.753 | S | S | * | * | | | trans | 34.7 | 124.9 | 153.2 | -73.4 | -94.1 | 0 | 0 | 0 | 122.9 | | |
| 483 | Q | 32 | Very low | 33.8 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | | | trans | 59.6 | 125.9 | 134.4 | -55.5 | 177.3 | 55.4 | 0 | 0 | 118 | | |
| 484 | H | 29 | Very low | 33.9 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 75% | 0.745 | 75% | 0.748 | S | S | * | * | | | | 170.9 | 166.6 | 67 | -174.2 | -98.9 | 0 | 0 | 0 | 110.4 | | |
| 485 | S | 27.6 | Very low | 33.6 | Very low | 76 Ų | 76 | 136.8 Ų | 136.8 | 53% | 0.531 | 76% | 0.755 | S | S | . | * | | | trans | 59.9 | 113.5 | 160.6 | 38.7 | 0 | 0 | 0 | 0 | 122.2 | | |
| 486 | E | 27.8 | Very low | 33.6 | Very low | 167 Ų | 167 | 131.9 Ų | 131.9 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | | | | 82.3 | 153.2 | 126 | -63.3 | -173.8 | 94.6 | 0 | 0 | 123.4 | | |
| 487 | M | 31.3 | Very low | 33.3 | Very low | 167 Ų | 167 | 132 Ų | 132 | 82% | 0.823 | 74% | 0.737 | S | S | * | * | | | trans | 83.4 | 102.4 | 159.1 | -43.3 | -151.9 | -178.2 | 0 | 0 | 119.9 | | |
| 488 | M | 30.5 | Very low | 33.4 | Very low | 176 Ų | 176 | 131.6 Ų | 131.6 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | | | trans | -65.3 | 175.9 | 152.5 | -73.2 | -102.1 | -73.5 | 0 | 0 | 111.7 | | |
| 489 | P | 54.4 | Low | 33.3 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | | | cis | -133.4 | -168.6 | -0.4 | 29.1 | -5.7 | 0 | 0 | 0 | 114.7 | | |
| 490 | S | 29.8 | Very low | 33.4 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | | | | 116.8 | 104.7 | 125.4 | -142 | 0 | 0 | 0 | 0 | 119.4 | | |
| 491 | V | 35.1 | Very low | 33.7 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 75% | 0.745 | 75% | 0.75 | S | S | * | * | | | trans | 57.4 | 156.3 | 133.3 | -49.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 492 | D | 30.4 | Very low | 33.6 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 67% | 0.674 | 75% | 0.751 | S | S | * | * | | | cis | -148.7 | 170.2 | 3.8 | -140.9 | -52.4 | 0 | 0 | 0 | 113.1 | | |
| 493 | T | 37.4 | Very low | 33.7 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | | | trans | 7.9 | 139.2 | 158.3 | 31.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 494 | V | 36.4 | Very low | 33.7 | Very low | 135 Ų | 135 | 130 Ų | 130 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | cis | -132 | -170.1 | 40.4 | -73.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 495 | V | 35.8 | Very low | 34.5 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | | | cis | -156.5 | -175.6 | 19.3 | 75.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 496 | S | 35 | Very low | 35.1 | Very low | 86 Ų | 86 | 129.7 Ų | 129.7 | 60% | 0.601 | 78% | 0.776 | S | S | * | * | | | trans | -109.2 | 163.7 | 179.5 | -81.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 497 | Q | 34.6 | Very low | 35.1 | Very low | 176 Ų | 176 | 132.5 Ų | 132.5 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | cis | -165.3 | 148.2 | -5.9 | -117.3 | 168.5 | 76.3 | 0 | 0 | 110.7 | | |
| 498 | S | 34.1 | Very low | 35 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 88% | 0.881 | 77% | 0.771 | S | S | * | * | | | trans | -169.1 | 152.8 | 132.7 | 49.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 499 | S | 32.8 | Very low | 35 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | | | trans | -116 | 140.9 | -162.3 | 44.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 500 | G | 34 | Very low | 33.9 | Very low | 79 Ų | 79 | 125.1 Ų | 125.1 | 81% | 0.814 | 77% | 0.765 | S | S | * | * | | | trans | -173.1 | 72.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 501 | S | 33.3 | Very low | 34 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | | | trans | -54.4 | 153.8 | 173.1 | -63.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 502 | C | 33 | Very low | 33.9 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | | | cis | -157.6 | 142.1 | 13.8 | -127.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 503 | M | 33 | Very low | 33.9 | Very low | 177 Ų | 177 | 128.8 Ų | 128.8 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | | | trans | 52.1 | 129.5 | 146.8 | -52.8 | -50.5 | 169 | 0 | 0 | 124.4 | | |
| 504 | L | 33.1 | Very low | 33.8 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | -83.1 | -170.5 | 157.4 | -63.1 | 172.2 | 0 | 0 | 0 | 109.8 | | |
| 505 | P | 44.6 | Very low | 33.7 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | cis | -134.9 | 176 | 0.5 | 43.2 | -26.3 | 0 | 0 | 0 | 116.1 | | |
| 506 | P | 40.8 | Very low | 33.6 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | trans | -83.4 | 148.5 | 164.8 | 34.3 | -34 | 0 | 0 | 0 | 112.5 | | |
| 507 | Y | 28.7 | Very low | 33.6 | Very low | 226 Ų | 226 | 136.7 Ų | 136.7 | 89% | 0.886 | 79% | 0.787 | S | S | * | * | | | trans | -141.9 | 173.5 | 160.2 | -151.1 | -102.3 | 0 | 0 | 0 | 111.5 | | |
| 508 | S | 29 | Very low | 33.5 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 62% | 0.622 | 79% | 0.789 | S | S | * | * | | | trans | -94.8 | 175.1 | -159.2 | 65.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 509 | S | 30.7 | Very low | 33.3 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | trans | 116.7 | 115.7 | 141.7 | -155.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 510 | S | 31.1 | Very low | 33.3 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | | | trans | 32.6 | 110.2 | 136.1 | -137.1 | 0 | 0 | 0 | 0 | 122.4 | | |
| 511 | Q | 31.8 | Very low | 33.2 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | | 43.7 | 137.9 | 122.4 | -56.8 | -174.6 | -6.3 | 0 | 0 | 122.9 | | |
| 512 | H | 32 | Very low | 33.1 | Very low | 176 Ų | 176 | 130.3 Ų | 130.3 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | | | trans | 70.3 | 150.6 | 163 | -63.6 | -65.8 | 0 | 0 | 0 | 117 | | |
| 513 | A | 31.7 | Very low | 33.2 | Very low | 83 Ų | 83 | 134.2 Ų | 134.2 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | | | cis | -134.8 | -176.8 | -0.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 514 | V | 35.3 | Very low | 34.4 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 79% | 0.788 | 78% | 0.778 | S | S | * | * | | | cis | -153.6 | -165.7 | 35.8 | -73.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 515 | K | 32.6 | Very low | 34.4 | Very low | 183 Ų | 183 | 131.2 Ų | 131.2 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | | | cis | -160.9 | -173.2 | 8.1 | -147.1 | 168.5 | -175.5 | 175.4 | 0 | 110 | | |
| 516 | L | 33.9 | Very low | 33.7 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | | | trans | 76.8 | 136 | 171.2 | -55.8 | 180 | 0 | 0 | 0 | 117 | | |
| 517 | M | 35.1 | Very low | 33.4 | Very low | 175 Ų | 175 | 132.2 Ų | 132.2 | 86% | 0.862 | 79% | 0.788 | S | S | * | * | | | cis | -177.3 | 110.5 | -30.3 | -114.3 | -77.6 | -78.2 | 0 | 0 | 108.5 | | |
| 518 | A | 32.8 | Very low | 33.4 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | -175.8 | 152.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 519 | G | 30.9 | Very low | 33.6 | Very low | 85 Ų | 85 | 129.1 Ų | 129.1 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | | | trans | -85.9 | -172.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 520 | G | 31.8 | Very low | 34.9 | Very low | 70 Ų | 70 | 129.5 Ų | 129.5 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | cis | 166.7 | 159.5 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 521 | S | 32.3 | Very low | 35.2 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 92% | 0.923 | 79% | 0.787 | S | S | * | * | | | trans | 64.6 | 144.3 | 179.2 | -69.8 | 0 | 0 | 0 | 0 | 116.7 | | |
| 522 | A | 31.7 | Very low | 35 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | cis | -152.8 | -179.7 | -9.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 523 | H | 34.4 | Very low | 35.2 | Very low | 186 Ų | 186 | 130.1 Ų | 130.1 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | | | trans | -119 | -174.8 | -167.5 | -98.3 | -49.9 | 0 | 0 | 0 | 111 | | |
| 524 | P | 58.1 | Low | 35.4 | Very low | 85 Ų | 85 | 134.7 Ų | 134.7 | 55% | 0.552 | 79% | 0.793 | S | S | * | * | | | cis | -143.3 | -176.5 | -25.1 | 33.5 | -11.6 | 0 | 0 | 0 | 116.3 | | |
| 525 | H | 34.2 | Very low | 35.4 | Very low | 189 Ų | 189 | 132.5 Ų | 132.5 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | | | trans | 63.5 | 152.8 | 156.6 | -49.8 | -45.9 | 0 | 0 | 0 | 119.8 | | |
| 526 | G | 29.8 | Very low | 35.3 | Very low | 69 Ų | 69 | 133.2 Ų | 133.2 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | cis | 146.6 | 142.3 | -9.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 527 | L | 32.8 | Very low | 35.2 | Very low | 181 Ų | 181 | 129.3 Ų | 129.3 | 95% | 0.948 | 79% | 0.787 | S | S | * | * | | | trans | -179.6 | 171.5 | 159.7 | -103.7 | 163.4 | 0 | 0 | 0 | 112.1 | | |
| 528 | S | 29.7 | Very low | 35.2 | Very low | 86 Ų | 86 | 130.6 Ų | 130.6 | 60% | 0.601 | 79% | 0.791 | S | S | * | * | | | trans | -161.7 | 162.6 | -163.5 | 68.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 529 | H | 33.6 | Very low | 35.2 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | | | trans | 69.9 | 168.8 | 156.1 | -71 | 113.6 | 0 | 0 | 0 | 118.9 | | |
| 530 | P | 57.1 | Low | 35.3 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | | | cis | -133.9 | -173.4 | -15.6 | 23.8 | 1.5 | 0 | 0 | 0 | 116.7 | | |
| 531 | H | 36.7 | Very low | 35.5 | Very low | 169 Ų | 169 | 133.3 Ų | 133.3 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | | | trans | -53.3 | 166.8 | 174.8 | -56.8 | -100.8 | 0 | 0 | 0 | 119.9 | | |
| 532 | N | 28.4 | Very low | 36.4 | Very low | 161 Ų | 161 | 133.3 Ų | 133.3 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | | | | -152.2 | 169.9 | 128.4 | -150.6 | -8.9 | 0 | 0 | 0 | 113.1 | | |
| 533 | V | 36.7 | Very low | 36.6 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 68% | 0.679 | 79% | 0.785 | S | S | * | * | | | trans | -149.9 | 138.6 | -166.1 | -173.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 534 | H | 35.3 | Very low | 36.7 | Very low | 180 Ų | 180 | 131.7 Ų | 131.7 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | | | trans | 175.9 | 160.5 | 156 | -104.4 | 58.8 | 0 | 0 | 0 | 110 | | |
| 535 | S | 34.6 | Very low | 35.7 | Very low | 83 Ų | 83 | 134.8 Ų | 134.8 | 58% | 0.58 | 79% | 0.793 | S | S | * | * | | | cis | -179.8 | 161.2 | -21.5 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 536 | Q | 32.2 | Very low | 35.4 | Very low | 198 Ų | 198 | 129.5 Ų | 129.5 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | | | trans | 67.9 | 152.3 | 165.1 | -98 | 167.6 | -2.3 | 0 | 0 | 118.2 | | |
| 537 | G | 31.7 | Very low | 35.6 | Very low | 73 Ų | 73 | 137.7 Ų | 137.7 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | cis | -161.3 | -175.5 | 1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 538 | Q | 33.5 | Very low | 36.3 | Very low | 201 Ų | 201 | 136.9 Ų | 136.9 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | | | trans | -94.5 | 159.4 | -165.2 | -58.7 | 169.7 | -30.2 | 0 | 0 | 116.4 | | |
| 539 | A | 33.5 | Very low | 36.5 | Very low | 100 Ų | 100 | 140.6 Ų | 140.6 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | | | | -179.6 | 135.5 | 124.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 540 | A | 34 | Very low | 36.3 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | | | trans | 36.9 | 141.7 | 146.6 | 0 | 0 | 0 | 0 | 0 | 125.4 | | |
| 541 | S | 34.2 | Very low | 34.9 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | | | trans | -87.3 | 172.4 | 167 | -41.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 542 | P | 52.9 | Low | 34.9 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | | | | -144.4 | -174 | 95.9 | 39.6 | -24.2 | 0 | 0 | 0 | 115.3 | | |
| 543 | A | 35.8 | Very low | 34.9 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -94.5 | -168 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 544 | M | 36.3 | Very low | 34.6 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | | | cis | -163.8 | 165.7 | 9.4 | -149.2 | -176.7 | -163 | 0 | 0 | 110.6 | | |
| 545 | N | 36.6 | Very low | 34.4 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | | | trans | 34.1 | 134.5 | 150.2 | -74.9 | -30 | 0 | 0 | 0 | 122.8 | | |
| 546 | G | 27.8 | Very low | 34.3 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -165.1 | 150.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 547 | R | 33.8 | Very low | 34.3 | Very low | 242 Ų | 242 | 132.5 Ų | 132.5 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | | | trans | -126 | 150.5 | -179.1 | -79.7 | -175.3 | 173.1 | -175.4 | -1.1 | 113.1 | | |
| 548 | L | 47.5 | Very low | 34.3 | Very low | 163 Ų | 163 | 132.8 Ų | 132.8 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | | | trans | -4.7 | 127.8 | 153.5 | -59.4 | 166.2 | 0 | 0 | 0 | 117.9 | | |
| 549 | L | 33.8 | Very low | 34.3 | Very low | 165 Ų | 165 | 127.9 Ų | 127.9 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | -152.6 | 166.1 | 146.9 | -89.3 | -165.5 | 0 | 0 | 0 | 112.9 | | |
| 550 | M | 29.1 | Very low | 34.3 | Very low | 157 Ų | 157 | 134.7 Ų | 134.7 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | | | trans | -16.2 | 147.3 | 170.5 | -64.2 | -61.9 | 102.6 | 0 | 0 | 119.2 | | |
| 551 | S | 28.5 | Very low | 34.4 | Very low | 92 Ų | 92 | 137.8 Ų | 137.8 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | | | cis | 105.1 | 127.6 | 27 | -170.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 552 | L | 35.6 | Very low | 34.9 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | | | trans | 76.2 | 138.4 | 159.2 | -113.7 | 73.8 | 0 | 0 | 0 | 122.6 | | |
| 553 | S | 29 | Very low | 34 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | | | trans | 79 | 113.7 | 151.6 | -53.9 | 0 | 0 | 0 | 0 | 120.4 | | |
| 554 | Y | 31.5 | Very low | 33.7 | Very low | 215 Ų | 215 | 140 Ų | 140 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | | | | -156.7 | 141.8 | 103.3 | -157.6 | -117 | 0 | 0 | 0 | 114.6 | | |
| 555 | N | 31.4 | Very low | 33.5 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 69% | 0.69 | 81% | 0.809 | S | S | * | * | | | trans | -9 | 152.7 | 159.2 | -157.2 | 12.4 | 0 | 0 | 0 | 121.6 | | |
| 556 | G | 31.1 | Very low | 33.6 | Very low | 73 Ų | 73 | 139.7 Ų | 139.7 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | | | trans | 147.5 | 98.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 557 | G | 32.2 | Very low | 34.8 | Very low | 86 Ų | 86 | 141.9 Ų | 141.9 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | | | trans | -97.3 | 150.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 558 | G | 32 | Very low | 34.8 | Very low | 79 Ų | 79 | 138 Ų | 138 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | | | trans | -162.6 | -6.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 559 | A | 33 | Very low | 34.2 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | | | trans | 66.7 | 163.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 560 | R | 34.5 | Very low | 34.4 | Very low | 244 Ų | 244 | 137.2 Ų | 137.2 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | | | trans | 77.1 | 102.6 | 163.9 | -54.5 | -161.6 | -179.1 | -112.4 | -2.5 | 119.7 | | |
| 561 | L | 35 | Very low | 36.1 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | | | trans | -84.8 | 149.9 | 159 | -64.1 | 165.2 | 0 | 0 | 0 | 111.3 | | |
| 562 | P | 45.7 | Very low | 36.4 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | | | trans | -98.3 | 168.3 | 158.6 | 36.4 | -30.8 | 0 | 0 | 0 | 112.8 | | |
| 563 | V | 32.9 | Very low | 36.1 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | | | trans | -129.5 | 135.2 | -176.3 | 167.4 | 0 | 0 | 0 | 0 | 111 | K565 | V563-K565 HydrophobicContact CG1-CG 4.44Š|
| 564 | T | 30.6 | Very low | 36.7 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | | | trans | -169.6 | 135.1 | 145.8 | 32.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 565 | K | 32 | Very low | 37.8 | Very low | 191 Ų | 191 | 134.9 Ų | 134.9 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | | | cis | 86.7 | 126.3 | 37.4 | -72.5 | -166.9 | 172.2 | -174.6 | 0 | 115.7 | V563 | V563-K565 HydrophobicContact CG1-CG 4.44Š|
| 566 | S | 38 | Very low | 38 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | -158.7 | 175.3 | 169 | 58.2 | 0 | 0 | 0 | 0 | 106.5 | | |
| 567 | P | 53.3 | Low | 38.4 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | | | cis | -127.6 | -115.4 | 4.6 | 40.2 | -19.5 | 0 | 0 | 0 | 113 | | |
| 568 | M | 33.8 | Very low | 38.7 | Very low | 159 Ų | 159 | 140 Ų | 140 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | | | trans | -155.7 | 162.2 | -155.6 | -86.5 | -175.4 | 162.8 | 0 | 0 | 111.3 | | |
| 569 | Q | 35.4 | Very low | 38.6 | Very low | 148 Ų | 148 | 140 Ų | 140 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | | | cis | -174.8 | 121.6 | -13.6 | 170.4 | 178.3 | -96.5 | 0 | 0 | 112 | | |
| 570 | M | 37.4 | Very low | 38.6 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | trans | 68.7 | 166.7 | 152.1 | -65.4 | -70.7 | -93.9 | 0 | 0 | 120.4 | | |
| 571 | P | 65.7 | Low | 38.5 | Very low | 82 Ų | 82 | 132.1 Ų | 132.1 | 53% | 0.532 | 80% | 0.801 | S | S | . | * | | | cis | -134.4 | 177.9 | -18.8 | 21.8 | 2.7 | 0 | 0 | 0 | 116.9 | | |
| 572 | Y | 34.5 | Very low | 38.3 | Very low | 229 Ų | 229 | 127.4 Ų | 127.4 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | | | trans | 74.9 | 139.3 | 167.9 | -50 | -71.3 | 0 | 0 | 0 | 117.4 | | |
| 573 | G | 30.1 | Very low | 37.8 | Very low | 77 Ų | 77 | 130.4 Ų | 130.4 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | cis | -161.6 | 177.9 | -0.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 574 | L | 40.4 | Very low | 38.5 | Very low | 170 Ų | 170 | 130.8 Ų | 130.8 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | | | trans | -84 | -179.4 | -171.2 | -82.8 | 163.7 | 0 | 0 | 0 | 115.2 | | |
| 575 | P | 55.3 | Low | 38.4 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | | | cis | -139.3 | 163.9 | -1.5 | 33.1 | -11.6 | 0 | 0 | 0 | 119.5 | | |
| 576 | G | 36.1 | Very low | 38.8 | Very low | 78 Ų | 78 | 124.1 Ų | 124.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | 78.2 | 158.7 | 147.7 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 577 | H | 38.2 | Very low | 38.4 | Very low | 174 Ų | 174 | 128.4 Ų | 128.4 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | | | cis | -159.9 | 165.3 | -11.5 | -179.7 | -95.8 | 0 | 0 | 0 | 110.8 | | |
| 578 | L | 38.6 | Very low | 37.6 | Very low | 144 Ų | 144 | 128.2 Ų | 128.2 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | | | trans | -41.5 | 152.7 | -178.4 | -49.1 | 173.8 | 0 | 0 | 0 | 116.8 | | |
| 579 | G | 30.2 | Very low | 38.3 | Very low | 79 Ų | 79 | 126.4 Ų | 126.4 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | | | cis | 99.8 | 125.2 | -4.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 580 | G | 33.3 | Very low | 38.1 | Very low | 88 Ų | 88 | 127.6 Ų | 127.6 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | | | cis | 164.8 | 135 | -10.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 581 | G | 32.5 | Very low | 37.7 | Very low | 87 Ų | 87 | 125.9 Ų | 125.9 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | | | trans | 151.4 | 159.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 582 | G | 31 | Very low | 36 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | | | cis | 178.8 | 172.7 | -6.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 583 | M | 35.4 | Very low | 35.9 | Very low | 187 Ų | 187 | 125.2 Ų | 125.2 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | | | trans | 72.6 | 134.3 | 173.4 | -54.7 | -57.7 | 163.1 | 0 | 0 | 119.9 | | |
| 584 | P | 46.2 | Very low | 35.8 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | -102.7 | 157.4 | 175.5 | 39 | -33.4 | 0 | 0 | 0 | 114.3 | | |
| 585 | G | 30.1 | Very low | 35.4 | Very low | 80 Ų | 80 | 128.3 Ų | 128.3 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | | | trans | -113 | 155.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 586 | S | 38.5 | Very low | 34.3 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | | | trans | -81.1 | 149.7 | 177.6 | 179.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 587 | F | 30.7 | Very low | 34.1 | Very low | 203 Ų | 203 | 134.5 Ų | 134.5 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | | | trans | -166.2 | 146.1 | 143.7 | -94.9 | -60.4 | 0 | 0 | 0 | 112.6 | | |
| 588 | C | 36.2 | Very low | 33.8 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | | | trans | -135.8 | 141.1 | 165 | -65.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 589 | P | 49.2 | Very low | 33.5 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | | | | -139.7 | 175.3 | 127.8 | 41 | -29.1 | 0 | 0 | 0 | 111.3 | | |
| 590 | L | 31.2 | Very low | 33.6 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | | | cis | -135.7 | -141.2 | -1.2 | -161.2 | 55.3 | 0 | 0 | 0 | 109.2 | | |
| 591 | N | 28.8 | Very low | 33.5 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 70% | 0.695 | 82% | 0.822 | S | S | * | * | | | trans | -159.8 | 142.7 | 179 | -178.7 | 24.6 | 0 | 0 | 0 | 111.8 | | |
| 592 | T | 29.2 | Very low | 33.7 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 85% | 0.847 | 82% | 0.816 | S | S | * | * | | | trans | -157.3 | 145.9 | 159 | 6.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 593 | N | 32.5 | Very low | 34 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | | | trans | -68.2 | 162.5 | 177.6 | -65.8 | -14.3 | 0 | 0 | 0 | 112.6 | | |
| 594 | G | 28.7 | Very low | 33.8 | Very low | 60 Ų | 60 | 136.6 Ų | 136.6 | 62% | 0.619 | 82% | 0.815 | S | S | * | * | | | cis | 168.7 | -172.7 | -1.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 595 | Y | 31.9 | Very low | 33 | Very low | 253 Ų | 253 | 138.3 Ų | 138.3 | 99% | 0.992 | 81% | 0.812 | S | S | * | * | | | trans | 71.5 | 106.4 | -174.7 | -58.3 | -82.2 | 0 | 0 | 0 | 116.8 | | |
| 596 | G | 31 | Very low | 33.1 | Very low | 79 Ų | 79 | 142.8 Ų | 142.8 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | | | trans | 168.3 | 130.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 597 | R | 33.5 | Very low | 32.8 | Very low | 247 Ų | 247 | 145.4 Ų | 145.4 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | | | trans | -67 | 142.8 | -171.6 | -79.7 | -176.4 | 177.7 | -92.3 | 4.9 | 114.8 | | |
| 598 | V | 31.7 | Very low | 33.2 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | | | trans | -71.8 | 139.7 | 145.9 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 599 | G | 31.6 | Very low | 33.3 | Very low | 59 Ų | 59 | 146.7 Ų | 146.7 | 61% | 0.608 | 81% | 0.811 | S | S | * | * | | | cis | 123.8 | 119.4 | 4.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 600 | M | 32.8 | Very low | 32.9 | Very low | 192 Ų | 192 | 146.3 Ų | 146.3 | 95% | 0.946 | 81% | 0.809 | S | S | * | * | | | trans | -153.9 | 122.2 | 166 | -84.1 | -130.8 | 74.2 | 0 | 0 | 109.8 | | |
| 601 | S | 31.3 | Very low | 33.6 | Very low | 113 Ų | 113 | 143 Ų | 143 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | -103.3 | 157.1 | -178.5 | 46.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 602 | V | 36.5 | Very low | 34.5 | Very low | 130 Ų | 130 | 144 Ų | 144 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | | | trans | -77.4 | 142.3 | -178.5 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | S604 | V602-S604 PolarHBondContact O-N 3.32Š|
| 603 | P | 37.8 | Very low | 35.5 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -72.6 | 114.3 | 173.6 | -11.8 | 27.6 | 0 | 0 | 0 | 111.2 | | |
| 604 | S | 31.4 | Very low | 36.1 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | trans | -90.9 | 130.5 | 173.1 | 48.4 | 0 | 0 | 0 | 0 | 111.4 | V602 | V602-S604 PolarHBondContact O-N 3.32Š|
| 605 | H | 29.4 | Very low | 37.1 | Very low | 162 Ų | 162 | 148.8 Ų | 148.8 | 75% | 0.75 | 81% | 0.811 | S | S | * | * | | | trans | -113 | 113.3 | 168.8 | -177.2 | -87.2 | 0 | 0 | 0 | 108.7 | | |
| 606 | M | 31.5 | Very low | 37.6 | Very low | 174 Ų | 174 | 143.9 Ų | 143.9 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | | | trans | -90.9 | 106.6 | -178.1 | -61.3 | -149.7 | 82.8 | 0 | 0 | 111.4 | | |
| 607 | E | 31.9 | Very low | 38 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | | | trans | -95.4 | 144 | 154.7 | -64.4 | -160.9 | 123.2 | 0 | 0 | 109.6 | L609 | E607-L609 PolarHBondContact O-N 3.44Š|
| 608 | K | 38.6 | Very low | 38.8 | Very low | 205 Ų | 205 | 139.8 Ų | 139.8 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | | | trans | -81.4 | 110.1 | -166.8 | -162.8 | 79.7 | 172.2 | 177.5 | 0 | 110.8 | | |
| 609 | L | 38.1 | Very low | 39.7 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | -88.9 | 161.1 | 170.3 | -67 | 176.8 | 0 | 0 | 0 | 111.7 | E607 | E607-L609 PolarHBondContact O-N 3.44Š|
| 610 | P | 40.8 | Very low | 40.7 | Very low | 114 Ų | 114 | 147.2 Ų | 147.2 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | | | trans | -69.5 | 141.6 | 175.5 | -16.5 | 31.9 | 0 | 0 | 0 | 112.5 | D612 | P610-D612 PolarHBondContact O-N 3.38Å; P610-D612 VanDerWaalsContact O-N 3.15Å |
| 611 | S | 46.2 | Very low | 41.4 | Very low | 103 Ų | 103 | 145.7 Ų | 145.7 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -85.9 | 74.3 | -174.6 | -58.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 612 | D | 47.4 | Very low | 42.2 | Very low | 150 Ų | 150 | 149 Ų | 149 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -147.6 | 26.4 | -178.8 | -159.7 | 32.9 | 0 | 0 | 0 | 113 | P610 | P610-D612 PolarHBondContact O-N 3.38Å; P610-D612 VanDerWaalsContact O-N 3.15Å |
| 613 | L | 51.8 | Low | 43 | Very low | 143 Ų | 143 | 148.9 Ų | 148.9 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | | | trans | -142.9 | 8.6 | -178.6 | -78.1 | 179 | 0 | 0 | 0 | 114.6 | D615 | L613-D615 VanDerWaalsContact C-N 3.29Å; L613-D615 PolarHBondContact O-N 3.13Å |
| 614 | D | 44.8 | Very low | 43.7 | Very low | 143 Ų | 143 | 146.9 Ų | 146.9 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -12.1 | -172.3 | -63.1 | -67.5 | 0 | 0 | 0 | 114.2 | | |
| 615 | D | 48.7 | Very low | 45 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 91% | 0.914 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 21.2 | -178.4 | -79.8 | -41.8 | 0 | 0 | 0 | 114.9 | L613 | L613-D615 VanDerWaalsContact C-N 3.29Å; L613-D615 PolarHBondContact O-N 3.13Å |
| 616 | M | 43.4 | Very low | 46.3 | Very low | 151 Ų | 151 | 145.6 Ų | 145.6 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | | | trans | -102.5 | 90.1 | 171.9 | -78.4 | -91 | -75.9 | 0 | 0 | 110.5 | | |
| 617 | S | 39.9 | Very low | 47.7 | Very low | 83 Ų | 83 | 144.5 Ų | 144.5 | 58% | 0.58 | 73% | 0.731 | S | S | * | * | | | trans | -62.3 | 142.6 | 179.4 | 60.3 | 0 | 0 | 0 | 0 | 112.5 | E619 | S617-E619 PolarHBondContact O-N 3.27Å; S617-E619 VanDerWaalsContact O-N 3.12Å |
| 618 | I | 50.2 | Low | 49 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 80% | 0.8 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -77.2 | 2.2 | -168.2 | -157.6 | 159.9 | 0 | 0 | 0 | 114.4 | K620 | I618-K620 VanDerWaalsContact C-N 3.26Å; I618-K620 PolarHBondContact O-N 3.09Å |
| 619 | E | 49.8 | Very low | 50 | Low | 166 Ų | 166 | 135.7 Ų | 135.7 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -77.6 | -7.6 | 178.6 | -64.8 | 173.5 | 138.3 | 0 | 0 | 113.1 | S617 | S617-E619 PolarHBondContact O-N 3.27Å; S617-E619 VanDerWaalsContact O-N 3.12Å |
| 620 | K | 52 | Low | 50.7 | Low | 187 Ų | 187 | 134.9 Ų | 134.9 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -99.7 | 31.2 | -179.4 | -149.8 | 176.2 | -177.7 | 174.4 | 0 | 114.8 | I618 | I618-K620 VanDerWaalsContact C-N 3.26Å; I618-K620 PolarHBondContact O-N 3.09Å |
| 621 | F | 47.6 | Very low | 51.3 | Low | 161 Ų | 161 | 135.3 Ų | 135.3 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -125.8 | 14.8 | 171.9 | -89.6 | -71 | 0 | 0 | 0 | 114.5 | I623 | F621-I623 PolarHBondContact O-N 2.89Š|
| 622 | E | 49 | Very low | 51.8 | Low | 182 Ų | 182 | 136 Ų | 136 | 85% | 0.85 | 69% | 0.685 | S | S | * | * | | | trans | -68.3 | 87.1 | 154.4 | -67.4 | -169.2 | 149 | 0 | 0 | 108.5 | D624 | E622-D624 PolarHBondContact O-N 3.32Š|
| 623 | I | 52.1 | Low | 52.2 | Low | 127 Ų | 127 | 135.5 Ų | 135.5 | 65% | 0.651 | 68% | 0.682 | S | S | * | * | | | trans | -67.5 | 113.4 | 163.7 | -70.4 | 176.7 | 0 | 0 | 0 | 106.3 | F621 V625 | F621-I623 PolarHBondContact O-N 2.89Å; I623-V625 WeakPolarHBondContact O-CG2 3.44Å; I623-V625 PolarHBondContact O-N 3.27Å |
| 624 | D | 53.6 | Low | 52.5 | Low | 85 Ų | 85 | 135.2 Ų | 135.2 | 46% | 0.455 | 68% | 0.678 | S | S | . | * | | | trans | -65 | 89.1 | -172.6 | -171 | -6.7 | 0 | 0 | 0 | 111.4 | E622 E626 R627 V628 | E622-D624 PolarHBondContact O-N 3.32Å; D624-E626 VanDerWaalsContact C-N 3.27Å; D624-E626 PolarHBondContact O-N 3.46Å; D624-E626 WeakPolarHBondContact OD1-CB 3.45Å; D624-E626 PolarHBondContact OD1-N 3.09Å; D624-R627 HydrophobicContact CB-CB 3.92Å; D624-R627 VanDerWaalsContact CG-CB 3.42Å; D624-R627 WeakPolarHBondContact O-CB 3.41Å; D624-R627 PolarHBondContact O-N 3.05Å; D624-R627 PolarHBondContact OD1-N 3.18Å; D624-R627 VanDerWaalsContact OD1-N 3.12Å; D624-R627 WeakPolarHBondContact OD2-CB 3.38Å; D624-V628 PolarHBondContact O-N 3.29Å |
| 625 | V | 59.1 | Low | 52.6 | Low | 98 Ų | 98 | 135.1 Ų | 135.1 | 59% | 0.594 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -65.7 | -32.7 | -178.9 | -179.8 | 0 | 0 | 0 | 0 | 111 | I623 R627 V628 L629 | I623-V625 WeakPolarHBondContact O-CG2 3.44Å; I623-V625 PolarHBondContact O-N 3.27Å; V625-R627 VanDerWaalsContact C-N 3.32Å; V625-R627 PolarHBondContact O-N 3.15Å; V625-V628 PolarHBondContact O-N 3.16Å; V625-L629 HydrophobicContact CG1-CD1 4.1Å; V625-L629 HydrophobicContact CG1-CG 4.48Å; V625-L629 WeakPolarHBondContact O-CG 3.43Å; V625-L629 PolarHBondContact O-N 3.04Å |
| 626 | E | 56.5 | Low | 52.7 | Low | 152 Ų | 152 | 130.6 Ų | 130.6 | 71% | 0.71 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -56.5 | -48.1 | 171.3 | -68.7 | -77.9 | 130.9 | 0 | 0 | 109.9 | D624 V628 L629 H630 | D624-E626 VanDerWaalsContact C-N 3.27Å; D624-E626 PolarHBondContact O-N 3.46Å; D624-E626 WeakPolarHBondContact OD1-CB 3.45Å; D624-E626 PolarHBondContact OD1-N 3.09Å; E626-V628 PolarHBondContact O-N 3.45Å; E626-L629 PolarHBondContact O-N 3.28Å; E626-H630 VanDerWaalsContact O-CB 3.3Å; E626-H630 WeakPolarHBondContact O-CB 3.41Å; E626-H630 PolarHBondContact O-N 3.33Å |
| 627 | R | 60.8 | Low | 52.7 | Low | 151 Ų | 151 | 130.9 Ų | 130.9 | 57% | 0.57 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -64.3 | -38.5 | 178.3 | -171.5 | 177.3 | -168.4 | 131.6 | 6.4 | 113.9 | D624 V625 L629 H630 E631 | D624-R627 HydrophobicContact CB-CB 3.92Å; D624-R627 VanDerWaalsContact CG-CB 3.42Å; D624-R627 WeakPolarHBondContact O-CB 3.41Å; D624-R627 PolarHBondContact O-N 3.05Å; D624-R627 PolarHBondContact OD1-N 3.18Å; D624-R627 VanDerWaalsContact OD1-N 3.12Å; D624-R627 WeakPolarHBondContact OD2-CB 3.38Å; V625-R627 VanDerWaalsContact C-N 3.32Å; V625-R627 PolarHBondContact O-N 3.15Å; R627-L629 VanDerWaalsContact C-N 3.35Å; R627-H630 PolarHBondContact O-N 3.31Å; R627-E631 IonicContact NE-OE1 3.56Å; R627-E631 PolarHBondContact O-N 3.39Å |
| 628 | V | 59.3 | Low | 53 | Low | 85 Ų | 85 | 132.2 Ų | 132.2 | 52% | 0.515 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -65.3 | -40.1 | 175.4 | 176.8 | 0 | 0 | 0 | 0 | 111 | D624 V625 E626 T632 | D624-V628 PolarHBondContact O-N 3.29Å; V625-V628 PolarHBondContact O-N 3.16Å; E626-V628 PolarHBondContact O-N 3.45Å; V628-T632 WeakPolarHBondContact O-CB 3.4Å; V628-T632 PolarHBondContact O-N 2.91Å; V628-T632 PolarHBondContact O-OG1 3.46Å |
| 629 | L | 58 | Low | 52.9 | Low | 97 Ų | 97 | 131.8 Ų | 131.8 | 51% | 0.508 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -65.1 | -42.1 | 172.8 | -72.2 | 166.2 | 0 | 0 | 0 | 111.2 | V625 E626 R627 T632 L633 | V625-L629 HydrophobicContact CG1-CD1 4.1Å; V625-L629 HydrophobicContact CG1-CG 4.48Å; V625-L629 WeakPolarHBondContact O-CG 3.43Å; V625-L629 PolarHBondContact O-N 3.04Å; E626-L629 PolarHBondContact O-N 3.28Å; R627-L629 VanDerWaalsContact C-N 3.35Å; L629-T632 PolarHBondContact O-N 3.36Å; L629-L633 WeakPolarHBondContact O-CB 3.4Å; L629-L633 PolarHBondContact O-N 2.93Å |
| 630 | H | 54.5 | Low | 52.3 | Low | 127 Ų | 127 | 130.3 Ų | 130.3 | 59% | 0.588 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -74.1 | -30.8 | -175.8 | -156.4 | -49.8 | 0 | 0 | 0 | 113.8 | E626 R627 | E626-H630 VanDerWaalsContact O-CB 3.3Å; E626-H630 WeakPolarHBondContact O-CB 3.41Å; E626-H630 PolarHBondContact O-N 3.33Å; R627-H630 PolarHBondContact O-N 3.31Å |
| 631 | E | 53.6 | Low | 51.7 | Low | 123 Ų | 123 | 129.3 Ų | 129.3 | 58% | 0.575 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -77.5 | -27 | 170.2 | -77.3 | -179.1 | -171.1 | 0 | 0 | 112.4 | R627 | R627-E631 IonicContact NE-OE1 3.56Å; R627-E631 PolarHBondContact O-N 3.39Å |
| 632 | T | 56.5 | Low | 51.1 | Low | 117 Ų | 117 | 127.5 Ų | 127.5 | 72% | 0.718 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -93.2 | -15.1 | -176.1 | -42.2 | 0 | 0 | 0 | 0 | 114 | V628 L629 | V628-T632 WeakPolarHBondContact O-CB 3.4Å; V628-T632 PolarHBondContact O-N 2.91Å; V628-T632 PolarHBondContact O-OG1 3.46Å; L629-T632 PolarHBondContact O-N 3.36Å |
| 633 | L | 55 | Low | 50.5 | Low | 141 Ų | 141 | 127.7 Ų | 127.7 | 74% | 0.738 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -122.4 | -8.9 | -169.2 | -165.7 | 57.3 | 0 | 0 | 0 | 115.4 | L629 | L629-L633 WeakPolarHBondContact O-CB 3.4Å; L629-L633 PolarHBondContact O-N 2.93Å |
| 634 | M | 58.5 | Low | 49.6 | Very low | 136 Ų | 136 | 129 Ų | 129 | 67% | 0.67 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -109.2 | -13.8 | -179.4 | -92.2 | -77.2 | 158 | 0 | 0 | 115.3 | G636 | M634-G636 PolarHBondContact O-N 2.9Š|
| 635 | D | 47.2 | Very low | 48.9 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 76% | 0.759 | 69% | 0.69 | S | S | * | * | | | trans | -78.2 | 69 | 173.5 | -75.3 | -12.9 | 0 | 0 | 0 | 110.8 | D637 | D635-D637 VanDerWaalsContact C-N 3.26Å; D635-D637 PolarHBondContact O-N 3.37Å |
| 636 | G | 51 | Low | 47.9 | Very low | 76 Ų | 76 | 131.4 Ų | 131.4 | 78% | 0.784 | 70% | 0.696 | S | S | * | * | | | trans | -76.6 | 62.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | M634 S638 | M634-G636 PolarHBondContact O-N 2.9Å; G636-S638 PolarHBondContact O-N 2.95Å |
| 637 | D | 42.6 | Very low | 46.9 | Very low | 157 Ų | 157 | 130 Ų | 130 | 84% | 0.84 | 70% | 0.698 | S | S | * | * | | | trans | -75.2 | 121.9 | 174.7 | -116.2 | -28.3 | 0 | 0 | 0 | 111.5 | D635 L639 | D635-D637 VanDerWaalsContact C-N 3.26Å; D635-D637 PolarHBondContact O-N 3.37Å; D637-L639 PolarHBondContact O-N 3.41Å |
| 638 | S | 45.5 | Very low | 45.6 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | | | trans | -79.1 | 90.4 | -168.8 | 177.9 | 0 | 0 | 0 | 0 | 112.8 | G636 D640 | G636-S638 PolarHBondContact O-N 2.95Å; S638-D640 PolarHBondContact O-N 3.37Å |
| 639 | L | 48.2 | Very low | 44.3 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | | | trans | -72 | 89.4 | 170.1 | -67.8 | 179.8 | 0 | 0 | 0 | 111.9 | D637 F641 | D637-L639 PolarHBondContact O-N 3.41Å; L639-F641 HydrophobicContact CB-CD2 4.48Å; L639-F641 HydrophobicContact CB-CE2 4.27Å; L639-F641 PolarHBondContact O-N 3.29Å |
| 640 | D | 36.6 | Very low | 43.1 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | | | trans | -66.4 | 111.6 | 174.2 | -177.2 | 11.5 | 0 | 0 | 0 | 111.7 | S638 N642 | S638-D640 PolarHBondContact O-N 3.37Å; D640-N642 PolarHBondContact OD1-N 3.45Å |
| 641 | F | 40.4 | Very low | 41.8 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | | | trans | -101.4 | 61.9 | 176.5 | -89 | -81.9 | 0 | 0 | 0 | 111.7 | L639 F643 | L639-F641 HydrophobicContact CB-CD2 4.48Å; L639-F641 HydrophobicContact CB-CE2 4.27Å; L639-F641 PolarHBondContact O-N 3.29Å; F641-F643 PolarHBondContact O-N 3.48Å |
| 642 | N | 34.8 | Very low | 40.9 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 66% | 0.658 | 76% | 0.764 | S | S | * | * | | | trans | -63.1 | 121.4 | 170.5 | -175.9 | 7.9 | 0 | 0 | 0 | 111.5 | D640 | D640-N642 PolarHBondContact OD1-N 3.45Š|
| 643 | F | 37 | Very low | 40.3 | Very low | 186 Ų | 186 | 137.9 Ų | 137.9 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | | | trans | -119.8 | 82.4 | 174.2 | -104.9 | -80.9 | 0 | 0 | 0 | 110.4 | F641 | F641-F643 PolarHBondContact O-N 3.48Š|
| 644 | E | 32.8 | Very low | 39.4 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | trans | -81.5 | 130 | 172.2 | -161.6 | 178.9 | -129.6 | 0 | 0 | 110.8 | V646 | E644-V646 PolarHBondContact O-N 2.99Š|
| 645 | P | 40 | Very low | 38.1 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | | | trans | -81.2 | 87.8 | -174.7 | 31.9 | -35.6 | 0 | 0 | 0 | 112.2 | V647 | P645-V647 PolarHBondContact O-N 3.2Š|
| 646 | V | 36.1 | Very low | 37.5 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | -67.9 | 103.9 | 176.5 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | E644 T648 | E644-V646 PolarHBondContact O-N 2.99Å; V646-T648 HydrophobicContact CG1-CG2 4.29Å |
| 647 | V | 36.8 | Very low | 36.9 | Very low | 122 Ų | 122 | 142 Ų | 142 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | | | trans | -85.2 | 120.6 | 171.2 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | P645 | P645-V647 PolarHBondContact O-N 3.2Š|
| 648 | T | 32.6 | Very low | 36.7 | Very low | 127 Ų | 127 | 141 Ų | 141 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | | | trans | -124.9 | 116.8 | 165 | 52.7 | 0 | 0 | 0 | 0 | 110.7 | V646 | V646-T648 HydrophobicContact CG1-CG2 4.29Š|
| 649 | Q | 33.3 | Very low | 36.1 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | trans | -87.8 | 173.9 | 171.3 | -67.9 | -170.4 | -2 | 0 | 0 | 111.9 | | |
| 650 | Q | 31.8 | Very low | 35.7 | Very low | 192 Ų | 192 | 140 Ų | 140 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | | | trans | 77.3 | 129.8 | 173.5 | -48 | 179.2 | 1.8 | 0 | 0 | 114.7 | | |
| 651 | G | 28.7 | Very low | 35.9 | Very low | 77 Ų | 77 | 140.4 Ų | 140.4 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | cis | -168.9 | 156.5 | -4.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 652 | F | 34.5 | Very low | 35.9 | Very low | 205 Ų | 205 | 137.2 Ų | 137.2 | 90% | 0.899 | 77% | 0.765 | S | S | * | * | | | trans | -68.7 | 172.9 | -179.8 | -80.1 | -84.7 | 0 | 0 | 0 | 113.9 | | |
| 653 | P | 43.9 | Very low | 36 | Very low | 100 Ų | 100 | 142.6 Ų | 142.6 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | | | cis | -128.7 | 172.2 | 17.9 | 29.1 | -5 | 0 | 0 | 0 | 115.1 | | |
| 654 | H | 34.6 | Very low | 36.3 | Very low | 178 Ų | 178 | 139 Ų | 139 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | | | cis | -149.9 | 168.7 | 38.4 | -60.7 | 67.5 | 0 | 0 | 0 | 109.4 | | |
| 655 | G | 32 | Very low | 36.8 | Very low | 69 Ų | 69 | 137.7 Ų | 137.7 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | cis | 153.7 | 56.4 | 0.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 656 | V | 34.9 | Very low | 36.6 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 87% | 0.873 | 81% | 0.81 | S | S | * | * | | | trans | -84.4 | 122.6 | -179.9 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 657 | K | 37.6 | Very low | 36.7 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | | | trans | -87.3 | 110.9 | 176.5 | -65.5 | 179.7 | 179.3 | -179.6 | 0 | 110.8 | T659 | K657-T659 PolarHBondContact O-N 3.32Å; K657-T659 VanDerWaalsContact O-N 3.16Å |
| 658 | T | 38.5 | Very low | 36.7 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | | | trans | -73.1 | 96.9 | 159.3 | 49.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 659 | T | 33.6 | Very low | 36.9 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 61% | 0.613 | 82% | 0.82 | S | S | * | * | | | trans | -94.8 | 110.1 | -178.4 | -156.9 | 0 | 0 | 0 | 0 | 110.7 | K657 H661 | K657-T659 PolarHBondContact O-N 3.32Å; K657-T659 VanDerWaalsContact O-N 3.16Å; T659-H661 PolarHBondContact OG1-NE2 2.98Å |
| 660 | T | 40 | Very low | 37.1 | Very low | 136 Ų | 136 | 140 Ų | 140 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | | | trans | -76.3 | 120 | 170.5 | 19.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 661 | H | 41 | Very low | 37.4 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 66% | 0.662 | 82% | 0.818 | S | S | * | * | | | trans | -128.6 | 118.4 | 166 | -71.1 | -61.3 | 0 | 0 | 0 | 110.3 | T659 | T659-H661 PolarHBondContact OG1-NE2 2.98Š|
| 662 | S | 38.8 | Very low | 38 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 69% | 0.692 | 82% | 0.819 | S | S | * | * | | | trans | -74.6 | 146.7 | 168.2 | 179.1 | 0 | 0 | 0 | 0 | 110 | | |
| 663 | W | 38.1 | Very low | 38.3 | Very low | 237 Ų | 237 | 136.1 Ų | 136.1 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | | | trans | -132.6 | 102.6 | 156.5 | -74.6 | 104 | 0 | 0 | 0 | 108.9 | | |
| 664 | V | 43.8 | Very low | 37.8 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 66% | 0.661 | 83% | 0.826 | S | S | * | * | | | trans | -118.2 | 133.9 | 160.8 | 168.9 | 0 | 0 | 0 | 0 | 107 | | |
| 665 | S | 42.7 | Very low | 38.1 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | | | trans | -121.8 | 113.4 | 156.5 | -69.3 | 0 | 0 | 0 | 0 | 105.9 | | |
| 666 | G | 36.5 | Very low | 38.7 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 100% | 1.423 | 84% | 0.837 | S | S | * | * | | | trans | 146.8 | 0 | -165.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |