| 1 | M | 30 | Very low | 31.7 | Very low | 240 Ų | 240 | 127.7 Ų | 127.7 | 100% | 1.182 | 68% | 0.676 | S | S | * | * | | | | 0 | 133.9 | 0 | -76.7 | 172.7 | 166.2 | 0 | 0 | 108.3 | | |
| 2 | N | 32.9 | Very low | 31.6 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 75% | 0.749 | 69% | 0.686 | S | S | * | * | | | trans | 26.8 | 111.8 | 159 | -60.9 | 0.8 | 0 | 0 | 0 | 119 | | |
| 3 | L | 32.2 | Very low | 31.8 | Very low | 143 Ų | 143 | 131.1 Ų | 131.1 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | | | | 67.8 | 135.5 | 84.3 | -67.8 | 165.9 | 0 | 0 | 0 | 113 | | |
| 4 | N | 33.5 | Very low | 31.4 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 66% | 0.663 | 71% | 0.706 | S | S | * | * | | | cis | -168.9 | 151.1 | -21.1 | -119.1 | 6.1 | 0 | 0 | 0 | 107.4 | | |
| 5 | N | 31.8 | Very low | 31.7 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | | | trans | 20.1 | 152.3 | 148.5 | -53.9 | -17.3 | 0 | 0 | 0 | 122.4 | | |
| 6 | S | 30.8 | Very low | 31.9 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | | | cis | 175.5 | 132 | -26.8 | 53.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 7 | N | 30.3 | Very low | 31.7 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 71% | 0.713 | S | S | * | * | | | trans | 66.1 | 115.5 | 145.3 | -72 | -19.1 | 0 | 0 | 0 | 126 | | |
| 8 | I | 33.3 | Very low | 31.6 | Very low | 135 Ų | 135 | 141 Ų | 141 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | | | | 94.8 | 106 | 114.3 | -70.6 | 173.1 | 0 | 0 | 0 | 123.6 | | |
| 9 | N | 32.7 | Very low | 31.3 | Very low | 86 Ų | 86 | 141.2 Ų | 141.2 | 46% | 0.46 | 72% | 0.719 | S | S | . | * | | | | 98.2 | 124 | 123.4 | -95.4 | -10.5 | 0 | 0 | 0 | 128.7 | | |
| 10 | R | 30.4 | Very low | 31.3 | Very low | 58 Ų | 58 | 143.2 Ų | 143.2 | 22% | 0.219 | 72% | 0.723 | C | S | . | * | | | trans | 96.1 | 123.9 | 130.9 | -57.8 | 147.8 | 174 | -173.8 | -18.5 | 125.7 | M32 N33 Y34 T35 | R10-M32 HydrophobicContact CG-CB 4.37Å; R10-N33 PolarHBondContact NE-O 3.4Å; R10-N33 PolarHBondContact NH2-O 3.01Å; R10-Y34 HydrophobicContact CB-CD2 3.77Å; R10-Y34 HydrophobicContact CB-CE2 3.21Å; R10-Y34 VanDerWaalsContact CD-CE2 3.42Å; R10-Y34 HydrophobicContact CG-CD2 3.85Å; R10-Y34 HydrophobicContact CG-CE2 3.74Å; R10-Y34 HydrophobicContact CG-CG 4.31Å; R10-T35 PolarHBondContact NH2-O 2.97Å |
| 11 | N | 31.2 | Very low | 31.4 | Very low | 97 Ų | 97 | 145.3 Ų | 145.3 | 52% | 0.519 | 73% | 0.73 | S | S | . | * | | | trans | 24.7 | 133 | 145.9 | -64.9 | -3 | 0 | 0 | 0 | 125.7 | | |
| 12 | L | 29.7 | Very low | 31.4 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 80% | 0.801 | 71% | 0.708 | S | S | * | * | | | | 167.1 | 149.7 | 113.5 | -91.6 | 165.2 | 0 | 0 | 0 | 116.1 | | |
| 13 | N | 34.7 | Very low | 30.9 | Very low | 146 Ų | 146 | 144.2 Ų | 144.2 | 78% | 0.781 | 71% | 0.708 | S | S | * | * | | | trans | 88.5 | 129.2 | 154.3 | -61.3 | -19.6 | 0 | 0 | 0 | 124.6 | | |
| 14 | Y | 25.9 | Very low | 31.1 | Very low | 223 Ų | 223 | 142.1 Ų | 142.1 | 88% | 0.875 | 70% | 0.703 | S | S | * | * | | | trans | -84.7 | -162.5 | 180 | -62.7 | -96.8 | 0 | 0 | 0 | 114.3 | | |
| 15 | P | 36.4 | Very low | 30.7 | Very low | 101 Ų | 101 | 142 Ų | 142 | 66% | 0.656 | 70% | 0.703 | S | S | * | * | | | cis | -135.4 | -174.7 | -19.7 | 23.4 | 1.6 | 0 | 0 | 0 | 114.8 | | |
| 16 | I | 34.5 | Very low | 30.3 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 77% | 0.774 | 71% | 0.705 | S | S | * | * | | | | 175.5 | 115.7 | 116.5 | -84.6 | 156.4 | 0 | 0 | 0 | 113.6 | | |
| 17 | W | 29.2 | Very low | 30.2 | Very low | 211 Ų | 211 | 148.4 Ų | 148.4 | 80% | 0.799 | 71% | 0.713 | S | S | * | * | | | trans | 23.5 | 135.5 | 150.3 | -60.3 | 84.2 | 0 | 0 | 0 | 126.3 | | |
| 18 | L | 29.7 | Very low | 30 | Very low | 148 Ų | 148 | 147.6 Ų | 147.6 | 78% | 0.775 | 71% | 0.714 | S | S | * | * | | | trans | 62.8 | 130.3 | 144.5 | -61.6 | 163 | 0 | 0 | 0 | 118.5 | | |
| 19 | D | 25.4 | Very low | 29.8 | Very low | 144 Ų | 144 | 148.1 Ų | 148.1 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | | | cis | -162 | -173.6 | 44.7 | -169.5 | 10.5 | 0 | 0 | 0 | 111 | | |
| 20 | K | 30.8 | Very low | 29.6 | Very low | 182 Ų | 182 | 148.6 Ų | 148.6 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | | | trans | 102.2 | 107.8 | 163.3 | -57.6 | 175.7 | -177.3 | 177.1 | 0 | 119.1 | | |
| 21 | Q | 33.4 | Very low | 29.4 | Very low | 188 Ų | 188 | 154.3 Ų | 154.3 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | | | trans | 30.1 | 109.9 | 130.6 | -58.4 | -171.2 | 4.6 | 0 | 0 | 120.7 | | |
| 22 | K | 29.6 | Very low | 29.2 | Very low | 166 Ų | 166 | 154.5 Ų | 154.5 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | | | trans | 58.3 | 115 | 130.6 | -92.6 | 179.8 | 167.8 | -172.6 | 0 | 121.2 | | |
| 23 | Y | 24.2 | Very low | 29 | Very low | 190 Ų | 190 | 151.9 Ų | 151.9 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | | | trans | 84.2 | 161.7 | 152.3 | -53.1 | -59.1 | 0 | 0 | 0 | 117.3 | | |
| 24 | P | 34.8 | Very low | 28.5 | Very low | 99 Ų | 99 | 152.3 Ų | 152.3 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | | | | -132.9 | -161.9 | -85.9 | 35.7 | -14.3 | 0 | 0 | 0 | 112.9 | | |
| 25 | N | 26.3 | Very low | 28.5 | Very low | 122 Ų | 122 | 147 Ų | 147 | 65% | 0.652 | 73% | 0.729 | S | S | * | * | | | trans | 79.2 | 93.3 | 157.7 | -66.4 | -5.4 | 0 | 0 | 0 | 120.2 | | |
| 26 | Y | 23.9 | Very low | 28.2 | Very low | 209 Ų | 209 | 153 Ų | 153 | 82% | 0.82 | 74% | 0.738 | S | S | * | * | | | trans | 69.4 | 158.2 | 131.2 | -56.2 | -66.7 | 0 | 0 | 0 | 123 | | |
| 27 | I | 28.6 | Very low | 27.8 | Very low | 164 Ų | 164 | 156.5 Ų | 156.5 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | | | trans | 99.8 | 100.9 | 161.2 | -48.7 | -177.2 | 0 | 0 | 0 | 117.3 | | |
| 28 | T | 24.6 | Very low | 28.2 | Very low | 127 Ų | 127 | 151.1 Ų | 151.1 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | | | trans | -61.5 | 145.1 | 170.1 | 48.5 | 0 | 0 | 0 | 0 | 116.8 | | |
| 29 | T | 30.7 | Very low | 28 | Very low | 146 Ų | 146 | 151.3 Ų | 151.3 | 90% | 0.896 | 74% | 0.737 | S | S | * | * | | | trans | -164.5 | 160.9 | 134.3 | 46.7 | 0 | 0 | 0 | 0 | 109 | | |
| 30 | S | 26.9 | Very low | 28.1 | Very low | 95 Ų | 95 | 156.3 Ų | 156.3 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | | | | 176.1 | 110.3 | -51.8 | 162.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 31 | K | 27.6 | Very low | 27.9 | Very low | 178 Ų | 178 | 157.4 Ų | 157.4 | 77% | 0.774 | 75% | 0.75 | S | S | * | * | | | trans | 64.8 | 132.7 | 153.3 | -62 | 175.8 | 179.4 | 174.5 | 0 | 121.5 | | |
| 32 | M | 25.6 | Very low | 27.7 | Very low | 102 Ų | 102 | 156.1 Ų | 156.1 | 50% | 0.502 | 75% | 0.748 | S | S | . | * | | | | -132.8 | 144.6 | 129.4 | -81.6 | -151.7 | 173.7 | 0 | 0 | 111.1 | R10 | R10-M32 HydrophobicContact CG-CB 4.37Š|
| 33 | N | 26.3 | Very low | 27.7 | Very low | 98 Ų | 98 | 154.8 Ų | 154.8 | 52% | 0.524 | 75% | 0.754 | S | S | . | * | | | trans | -98 | 116.8 | -163.1 | -68.2 | -47.6 | 0 | 0 | 0 | 114.5 | R10 T35 | R10-N33 PolarHBondContact NE-O 3.4Å; R10-N33 PolarHBondContact NH2-O 3.01Å; N33-T35 VanDerWaalsContact C-N 3.32Å; N33-T35 PolarHBondContact O-N 3.39Å; N33-T35 VanDerWaalsContact O-N 3.17Å |
| 34 | Y | 24.5 | Very low | 28.2 | Very low | 155 Ų | 155 | 151.4 Ų | 151.4 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | | | trans | -45.6 | -8.1 | 160.4 | -75.3 | -78.1 | 0 | 0 | 0 | 122.3 | R10 R36 | R10-Y34 HydrophobicContact CB-CD2 3.77Å; R10-Y34 HydrophobicContact CB-CE2 3.21Å; R10-Y34 VanDerWaalsContact CD-CE2 3.42Å; R10-Y34 HydrophobicContact CG-CD2 3.85Å; R10-Y34 HydrophobicContact CG-CE2 3.74Å; R10-Y34 HydrophobicContact CG-CG 4.31Å; Y34-R36 PolarHBondContact O-N 2.77Å |
| 35 | T | 25.2 | Very low | 27.9 | Very low | 112 Ų | 112 | 151.1 Ų | 151.1 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | | | trans | -62.7 | 123.6 | -163.5 | 41.3 | 0 | 0 | 0 | 0 | 113.7 | R10 N33 | R10-T35 PolarHBondContact NH2-O 2.97Å; N33-T35 VanDerWaalsContact C-N 3.32Å; N33-T35 PolarHBondContact O-N 3.39Å; N33-T35 VanDerWaalsContact O-N 3.17Å |
| 36 | R | 29.5 | Very low | 28 | Very low | 225 Ų | 225 | 149.8 Ų | 149.8 | 85% | 0.849 | 77% | 0.767 | S | S | * | * | | | trans | -145.5 | 125.2 | 154 | -140.7 | -171.8 | -85.7 | -150.4 | 1.3 | 108.7 | Y34 | Y34-R36 PolarHBondContact O-N 2.77Š|
| 37 | Y | 26.5 | Very low | 28.2 | Very low | 226 Ų | 226 | 145.8 Ų | 145.8 | 89% | 0.886 | 77% | 0.765 | S | S | * | * | | | trans | -29.7 | 163.9 | -171.6 | -81.2 | -97.8 | 0 | 0 | 0 | 122.2 | | |
| 38 | P | 38.6 | Very low | 28.3 | Very low | 97 Ų | 97 | 142.2 Ų | 142.2 | 63% | 0.63 | 76% | 0.755 | S | S | * | * | | | trans | -96.7 | -178.2 | -164.2 | 40 | -35.3 | 0 | 0 | 0 | 114.8 | | |
| 39 | N | 24.2 | Very low | 28.5 | Very low | 153 Ų | 153 | 144 Ų | 144 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | 69.1 | 102.7 | 166.6 | -66 | -23 | 0 | 0 | 0 | 118.1 | | |
| 40 | R | 28.2 | Very low | 28.6 | Very low | 248 Ų | 248 | 146 Ų | 146 | 94% | 0.936 | 75% | 0.748 | S | S | * | * | | | | -160 | 127.4 | 123.8 | -108.8 | 165 | -175.3 | -177.6 | 0.6 | 111.2 | | |
| 41 | K | 25.9 | Very low | 28.9 | Very low | 205 Ų | 205 | 147.7 Ų | 147.7 | 89% | 0.891 | 75% | 0.75 | S | S | * | * | | | trans | -67.1 | 131.1 | 165.1 | -66.9 | 177.4 | 176.4 | -179.4 | 0 | 108.6 | | |
| 42 | L | 30.7 | Very low | 29 | Very low | 162 Ų | 162 | 149.5 Ų | 149.5 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | | | trans | -149 | 107.2 | 148.5 | -78.8 | -174.9 | 0 | 0 | 0 | 109 | P44 | L42-P44 WeakPolarHBondContact O-CD 3.41Š|
| 43 | T | 29.2 | Very low | 29.3 | Very low | 137 Ų | 137 | 155.4 Ų | 155.4 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | | | trans | -87.7 | 113.5 | 149.2 | 43.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 44 | P | 35.4 | Very low | 29.6 | Very low | 120 Ų | 120 | 158.4 Ų | 158.4 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | | | trans | -76.3 | 122.8 | 153.2 | 1.9 | 16.7 | 0 | 0 | 0 | 107.2 | L42 | L42-P44 WeakPolarHBondContact O-CD 3.41Š|
| 45 | A | 27.7 | Very low | 29.8 | Very low | 92 Ų | 92 | 159 Ų | 159 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | | | trans | -67.2 | 156.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 46 | A | 28.1 | Very low | 30.2 | Very low | 94 Ų | 94 | 161.8 Ų | 161.8 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | | | trans | -45.6 | 147.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 47 | T | 28 | Very low | 30.1 | Very low | 126 Ų | 126 | 157.3 Ų | 157.3 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | -176.2 | 148.4 | 137.1 | 20.2 | 0 | 0 | 0 | 0 | 106.7 | | |
| 48 | S | 30.8 | Very low | 30.4 | Very low | 89 Ų | 89 | 152.9 Ų | 152.9 | 62% | 0.622 | 80% | 0.797 | S | S | * | * | | | cis | -149.4 | 160.8 | 28.6 | 54.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 49 | I | 29.8 | Very low | 29.7 | Very low | 163 Ų | 163 | 158.7 Ų | 158.7 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | S | Bend | | -131.2 | 109.3 | 58.5 | -69.5 | 161.2 | 0 | 0 | 0 | 108.1 | | |
| 50 | R | 32.5 | Very low | 30 | Very low | 188 Ų | 188 | 155.9 Ų | 155.9 | 71% | 0.709 | 81% | 0.806 | S | S | * | * | | | | 54.1 | 122.5 | 72.1 | -89.7 | -170.8 | 176.9 | 178.6 | 0.8 | 113 | | |
| 51 | L | 31.9 | Very low | 30 | Very low | 132 Ų | 132 | 149 Ų | 149 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | | | cis | -139.3 | -165.6 | 5.2 | -73.9 | 161 | 0 | 0 | 0 | 107.7 | | |
| 52 | R | 31.1 | Very low | 30.2 | Very low | 216 Ų | 216 | 149.5 Ų | 149.5 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | | | cis | -161.4 | 178 | 7.7 | -145.3 | 161.1 | -167.5 | 169.5 | 2.8 | 109.4 | | |
| 53 | R | 31.6 | Very low | 30.3 | Very low | 226 Ų | 226 | 147.1 Ų | 147.1 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 65.1 | 76.4 | 165.6 | -66.3 | -171.8 | 176.8 | 179.3 | -0.2 | 117.9 | | |
| 54 | N | 31.6 | Very low | 30.4 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | | | | 177.8 | 109.1 | 92.1 | -92 | 1.6 | 0 | 0 | 0 | 109.6 | | |
| 55 | E | 30.1 | Very low | 30 | Very low | 168 Ų | 168 | 148.6 Ų | 148.6 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | -95.5 | 136.6 | 171 | -67 | 167.8 | -162.5 | 0 | 0 | 108.6 | | |
| 56 | N | 33.5 | Very low | 30.1 | Very low | 171 Ų | 171 | 154.9 Ų | 154.9 | 91% | 0.914 | 77% | 0.772 | S | S | * | * | | | trans | -139.3 | 105.4 | 156.4 | -95.1 | -20.2 | 0 | 0 | 0 | 107 | | |
| 57 | N | 27.1 | Very low | 29.8 | Very low | 130 Ų | 130 | 155.6 Ų | 155.6 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | | | trans | -85.4 | 148.1 | 175.5 | -73.7 | -52.5 | 0 | 0 | 0 | 110.7 | | |
| 58 | C | 31.7 | Very low | 30.3 | Very low | 133 Ų | 133 | 155.1 Ų | 155.1 | 90% | 0.899 | 77% | 0.771 | S | S | * | * | | | trans | -157.2 | 135 | 144.7 | -105 | 0 | 0 | 0 | 0 | 110.9 | | |
| 59 | Y | 24.7 | Very low | 30.2 | Very low | 220 Ų | 220 | 157 Ų | 157 | 86% | 0.863 | 78% | 0.783 | S | S | * | * | | | trans | -85.4 | -178.5 | 170.6 | -82.2 | -105 | 0 | 0 | 0 | 109.3 | | |
| 60 | A | 31.6 | Very low | 30 | Very low | 94 Ų | 94 | 153.6 Ų | 153.6 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | cis | -157.5 | -175.6 | 23.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 61 | S | 26.8 | Very low | 30.3 | Very low | 103 Ų | 103 | 149.8 Ų | 149.8 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | trans | -95 | -163.3 | -174.5 | -32.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 62 | Y | 30.6 | Very low | 30.2 | Very low | 216 Ų | 216 | 150.3 Ų | 150.3 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | | | trans | 86.8 | 138.2 | -174.4 | -61.6 | -89.2 | 0 | 0 | 0 | 113 | | |
| 63 | D | 32.9 | Very low | 30 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 59% | 0.594 | 78% | 0.777 | S | S | * | * | | | cis | -157 | 163.7 | 8.9 | -130.7 | -20.2 | 0 | 0 | 0 | 117.7 | | |
| 64 | H | 30.3 | Very low | 29.7 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 68% | 0.676 | 78% | 0.777 | S | S | * | * | | | trans | 31.3 | 127.6 | 149.9 | -68.7 | -25.6 | 0 | 0 | 0 | 127.3 | | |
| 65 | Q | 28.4 | Very low | 29.4 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 67% | 0.668 | 77% | 0.77 | S | S | * | * | | | | 95.3 | 135.8 | 123.6 | -81.1 | -171.6 | 52.5 | 0 | 0 | 125 | | |
| 66 | R | 28.9 | Very low | 29.5 | Very low | 224 Ų | 224 | 143.3 Ų | 143.3 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | | | trans | 77.1 | 112.9 | 149.3 | -73.2 | 172.3 | -176.7 | -115.8 | 1.2 | 121.9 | | |
| 67 | S | 22.8 | Very low | 29 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | -92 | -178.7 | 146.6 | 53.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 68 | P | 37.7 | Very low | 29.6 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | | | cis | -134.7 | 158.9 | -49.1 | 36.1 | -21.5 | 0 | 0 | 0 | 113.3 | | |
| 69 | S | 28 | Very low | 29.6 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | | | trans | -162.4 | 153.7 | 154.4 | 53.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 70 | A | 25.3 | Very low | 29.7 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | | | trans | -126.7 | -173.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 71 | P | 39.7 | Very low | 29.7 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | | | | -126.1 | 168.6 | -63.8 | 37.2 | -25 | 0 | 0 | 0 | 112.1 | | |
| 72 | N | 28.7 | Very low | 29.7 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | | | trans | 178.1 | 130.6 | 135.5 | -97.4 | -38.1 | 0 | 0 | 0 | 116.3 | | |
| 73 | L | 28.4 | Very low | 29.7 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | | | trans | 29.3 | 127.7 | 136.2 | -67.5 | 163.4 | 0 | 0 | 0 | 123.6 | | |
| 74 | R | 24.5 | Very low | 29.7 | Very low | 226 Ų | 226 | 140 Ų | 140 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | | | trans | 69.4 | 143.8 | 141.7 | -67.5 | 178.2 | 179.8 | 179.5 | -0.6 | 117.7 | | |
| 75 | C | 25.2 | Very low | 29.8 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 71% | 0.709 | 75% | 0.754 | S | S | * | * | | | cis | -123.3 | -178.1 | -2.3 | -68.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 76 | D | 32.4 | Very low | 29.8 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | | | | -166.8 | 169.7 | 56.7 | -77.1 | -46.7 | 0 | 0 | 0 | 112.8 | | |
| 77 | M | 23.3 | Very low | 29.9 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 86% | 0.862 | 76% | 0.761 | S | S | * | * | | | trans | -147 | 169.2 | 175.3 | -108.6 | -173.6 | 82.8 | 0 | 0 | 108 | | |
| 78 | P | 40 | Very low | 30.2 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 63% | 0.63 | 76% | 0.757 | S | S | * | * | | | cis | -141.5 | -144.8 | -18 | 37.3 | -14.3 | 0 | 0 | 0 | 113.4 | | |
| 79 | V | 31.5 | Very low | 29.8 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | trans | 84.8 | 105.5 | 166.9 | -167.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 80 | N | 27.2 | Very low | 30.1 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 67% | 0.668 | 75% | 0.751 | S | S | * | * | | | | 95.1 | 109.8 | 52.5 | -168.4 | 35.4 | 0 | 0 | 0 | 113 | | |
| 81 | C | 31.8 | Very low | 30.5 | Very low | 130 Ų | 130 | 150.4 Ų | 150.4 | 88% | 0.878 | 76% | 0.759 | S | S | * | * | | | trans | -127.2 | 132.5 | 170.6 | -67 | 0 | 0 | 0 | 0 | 109.7 | | |
| 82 | Q | 26.8 | Very low | 30 | Very low | 143 Ų | 143 | 153.9 Ų | 153.9 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | | | trans | -112.6 | -176.4 | -176.6 | -68.5 | -179.6 | -86 | 0 | 0 | 112.2 | | |
| 83 | Y | 30.2 | Very low | 30 | Very low | 203 Ų | 203 | 157 Ų | 157 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | | | trans | 84.6 | 138.1 | 169.1 | -58.2 | -75 | 0 | 0 | 0 | 116.1 | | |
| 84 | D | 32.2 | Very low | 30 | Very low | 110 Ų | 110 | 161.3 Ų | 161.3 | 59% | 0.588 | 77% | 0.773 | S | S | * | * | | | cis | -157.5 | 162 | -10.7 | -143.8 | 4.5 | 0 | 0 | 0 | 112.6 | | |
| 85 | R | 32.2 | Very low | 30.2 | Very low | 193 Ų | 193 | 161 Ų | 161 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | | | trans | 61.5 | 120.6 | 154.5 | -69.7 | 168.5 | -156.2 | -151.9 | -2.5 | 123.6 | | |
| 86 | Q | 28.7 | Very low | 30.7 | Very low | 168 Ų | 168 | 161.8 Ų | 161.8 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | | 49.2 | 108.8 | 126.7 | -62.6 | 170.5 | -51.2 | 0 | 0 | 119.9 | | |
| 87 | E | 31 | Very low | 30.6 | Very low | 184 Ų | 184 | 164.8 Ų | 164.8 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | | -169.9 | 132.7 | 102.1 | -100.3 | 173.8 | -160.5 | 0 | 0 | 112.5 | | |
| 88 | D | 29.6 | Very low | 31.1 | Very low | 126 Ų | 126 | 165.2 Ų | 165.2 | 67% | 0.674 | 78% | 0.775 | S | S | * | * | | | trans | 54.1 | 114.8 | 144.6 | -73.4 | 19.9 | 0 | 0 | 0 | 125.3 | | |
| 89 | N | 28.1 | Very low | 30.7 | Very low | 137 Ų | 137 | 168.9 Ų | 168.9 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | | | | 59.1 | 68.3 | 124.7 | -63.4 | -48.5 | 0 | 0 | 0 | 120.4 | | |
| 90 | L | 34.7 | Very low | 30.8 | Very low | 153 Ų | 153 | 170.3 Ų | 170.3 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | | | trans | -146.3 | 13 | 164.1 | -116.2 | 130.9 | 0 | 0 | 0 | 119.7 | | |
| 91 | F | 33.4 | Very low | 31 | Very low | 214 Ų | 214 | 175.6 Ų | 175.6 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -124.6 | 21.6 | 175.9 | -77.5 | -78.9 | 0 | 0 | 0 | 116.1 | | |
| 92 | K | 29.3 | Very low | 31 | Very low | 180 Ų | 180 | 178.6 Ų | 178.6 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -96 | 138 | 152.3 | -71.7 | 177.4 | 179.3 | 173.1 | 0 | 108 | | |
| 93 | Y | 28.4 | Very low | 31.7 | Very low | 208 Ų | 208 | 181.1 Ų | 181.1 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | | | trans | 74.2 | 73.6 | 179.2 | -44.5 | -70.7 | 0 | 0 | 0 | 118.5 | | |
| 94 | R | 30.2 | Very low | 32 | Very low | 226 Ų | 226 | 177.7 Ų | 177.7 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | trans | -127.8 | 85 | 137.6 | -77.1 | -163.2 | 178.6 | -174.2 | 4.2 | 111.1 | | |
| 95 | R | 28.2 | Very low | 32.2 | Very low | 218 Ų | 218 | 177 Ų | 177 | 82% | 0.823 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -55 | 144.3 | 155.5 | -69 | 179.2 | 175.9 | 171.5 | -2 | 107.9 | R97 | R95-R97 PolarHBondContact O-N 3.44Š|
| 96 | P | 34.5 | Very low | 32.5 | Very low | 123 Ų | 123 | 174.3 Ų | 174.3 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 131.5 | 172.5 | 23.9 | -32.9 | 0 | 0 | 0 | 108.9 | Q98 | P96-Q98 PolarHBondContact O-N 3.38Å; P96-Q98 VanDerWaalsContact O-N 3.1Å |
| 97 | R | 31.1 | Very low | 33.3 | Very low | 220 Ų | 220 | 175 Ų | 175 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 118.8 | -179 | -77.9 | 175.6 | 167.4 | 155.3 | -7.1 | 108.5 | R95 L99 | R95-R97 PolarHBondContact O-N 3.44Å; R97-L99 PolarHBondContact O-N 3.41Å |
| 98 | Q | 33 | Very low | 33.7 | Very low | 185 Ų | 185 | 170.8 Ų | 170.8 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 131.5 | 164.6 | -75.4 | 175.5 | -34.8 | 0 | 0 | 108 | P96 L100 | P96-Q98 PolarHBondContact O-N 3.38Å; P96-Q98 VanDerWaalsContact O-N 3.1Å; Q98-L100 VanDerWaalsContact C-N 3.25Å; Q98-L100 PolarHBondContact O-N 3.08Å |
| 99 | L | 32.1 | Very low | 34.3 | Very low | 173 Ų | 173 | 168.7 Ų | 168.7 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | | | trans | -66.6 | 91.3 | 173 | -71 | 170.1 | 0 | 0 | 0 | 108 | R97 R101 | R97-L99 PolarHBondContact O-N 3.41Å; L99-R101 PolarHBondContact O-N 3.12Å |
| 100 | L | 34.7 | Very low | 34.8 | Very low | 157 Ų | 157 | 166.6 Ų | 166.6 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -60.3 | 98.4 | 173.9 | -173.1 | 73.5 | 0 | 0 | 0 | 107.6 | Q98 R102 | Q98-L100 VanDerWaalsContact C-N 3.25Å; Q98-L100 PolarHBondContact O-N 3.08Å; L100-R102 PolarHBondContact O-N 3.05Å |
| 101 | R | 30.9 | Very low | 35.3 | Very low | 236 Ų | 236 | 165.5 Ų | 165.5 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | | | trans | -55 | 105.1 | 170.2 | -79.1 | -178.2 | 169.5 | 175.3 | -3.9 | 107.3 | L99 K103 | L99-R101 PolarHBondContact O-N 3.12Å; R101-K103 PolarHBondContact O-N 3.34Å |
| 102 | R | 32.6 | Very low | 35.9 | Very low | 193 Ų | 193 | 162.6 Ų | 162.6 | 73% | 0.728 | 79% | 0.792 | S | S | * | * | | | trans | -55.3 | 125.2 | 170.6 | -85 | 179.6 | 158.7 | 165.7 | -7.3 | 107.7 | L100 D104 S105 | L100-R102 PolarHBondContact O-N 3.05Å; R102-D104 PolarHBondContact O-N 3.41Å; R102-D104 VanDerWaalsContact O-N 3.15Å; R102-S105 PolarHBondContact O-OG 3.49Å |
| 103 | K | 39.6 | Very low | 36.2 | Very low | 196 Ų | 196 | 158.2 Ų | 158.2 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -2.2 | 175.3 | -79.6 | -167.7 | 167.9 | -169.5 | 0 | 112.5 | R101 | R101-K103 PolarHBondContact O-N 3.34Š|
| 104 | D | 36.6 | Very low | 36.5 | Very low | 132 Ų | 132 | 155.4 Ų | 155.4 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | 10.1 | -162.7 | -12.1 | -58.9 | 0 | 0 | 0 | 111.5 | R102 | R102-D104 PolarHBondContact O-N 3.41Å; R102-D104 VanDerWaalsContact O-N 3.15Å |
| 105 | S | 36.4 | Very low | 37.2 | Very low | 94 Ų | 94 | 149.1 Ų | 149.1 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | | | trans | -105.6 | 6.9 | -179 | 62.1 | 0 | 0 | 0 | 0 | 114.6 | R102 Q107 | R102-S105 PolarHBondContact O-OG 3.49Å; S105-Q107 PolarHBondContact O-N 3.18Å |
| 106 | I | 40.4 | Very low | 37.6 | Very low | 138 Ų | 138 | 147 Ų | 147 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | | | trans | -86.2 | 93.6 | 167.8 | -55.3 | 176.8 | 0 | 0 | 0 | 107.1 | | |
| 107 | Q | 44.9 | Very low | 37.6 | Very low | 181 Ų | 181 | 147.7 Ų | 147.7 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -69 | 136.6 | 168.3 | -68.2 | -177.9 | -10.4 | 0 | 0 | 109 | S105 | S105-Q107 PolarHBondContact O-N 3.18Š|
| 108 | A | 40 | Very low | 37.7 | Very low | 96 Ų | 96 | 145.6 Ų | 145.6 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 138 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 109 | A | 40.8 | Very low | 37.9 | Very low | 83 Ų | 83 | 142 Ų | 142 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 140 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 110 | P | 39.3 | Very low | 38 | Very low | 93 Ų | 93 | 141 Ų | 141 | 60% | 0.604 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 150 | 176.7 | -21.9 | 32.9 | 0 | 0 | 0 | 111.9 | N112 V113 | P110-N112 PolarHBondContact O-N 3.36Å; P110-V113 PolarHBondContact O-N 3.29Å |
| 111 | P | 45.1 | Very low | 37.7 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -1.7 | -173.8 | 27.7 | -36.2 | 0 | 0 | 0 | 115.3 | | |
| 112 | N | 45.4 | Very low | 37.7 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | 15.7 | -175.3 | -64.2 | 4.7 | 0 | 0 | 0 | 113.4 | P110 | P110-N112 PolarHBondContact O-N 3.36Š|
| 113 | V | 36.6 | Very low | 37.7 | Very low | 89 Ų | 89 | 136.5 Ų | 136.5 | 54% | 0.539 | 74% | 0.742 | S | S | . | * | S | Bend | trans | -96.2 | 126.1 | 177 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | P110 | P110-V113 PolarHBondContact O-N 3.29Š|
| 114 | L | 35.3 | Very low | 37.3 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | | | trans | -67.8 | 150.6 | -179.2 | -69.2 | 169.4 | 0 | 0 | 0 | 112 | E116 | L114-E116 PolarHBondContact O-N 2.86Š|
| 115 | S | 43 | Very low | 36.9 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 15.4 | -160.7 | -61 | 0 | 0 | 0 | 0 | 116.6 | | |
| 116 | E | 36.8 | Very low | 36.9 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -21.9 | -165.3 | -69.4 | 172.2 | 175.5 | 0 | 0 | 113.8 | L114 R118 | L114-E116 PolarHBondContact O-N 2.86Å; E116-R118 PolarHBondContact O-N 3.27Å |
| 117 | D | 34.6 | Very low | 36.5 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -80.5 | 24.3 | 176.7 | -72.9 | -33.1 | 0 | 0 | 0 | 114.5 | S119 | D117-S119 PolarHBondContact O-N 3.19Š|
| 118 | R | 33.1 | Very low | 36 | Very low | 177 Ų | 177 | 134 Ų | 134 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -84.2 | 1.1 | -176.4 | -84.4 | -177.7 | 168.3 | 177.6 | -2 | 115.5 | E116 L120 Y121 | E116-R118 PolarHBondContact O-N 3.27Å; R118-L120 PolarHBondContact O-N 3.3Å; R118-Y121 PolarHBondContact O-N 3.08Å |
| 119 | S | 38.5 | Very low | 35.5 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -68.1 | -18.7 | 179 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | D117 | D117-S119 PolarHBondContact O-N 3.19Š|
| 120 | L | 33.8 | Very low | 35.3 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -92.3 | -0.8 | 175.6 | -73.2 | 165.1 | 0 | 0 | 0 | 114.4 | R118 | R118-L120 PolarHBondContact O-N 3.3Š|
| 121 | Y | 28.1 | Very low | 35 | Very low | 193 Ų | 193 | 139.3 Ų | 139.3 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | | | trans | -136.5 | 60.9 | 177.1 | -84.2 | -86 | 0 | 0 | 0 | 111.9 | R118 | R118-Y121 PolarHBondContact O-N 3.08Š|
| 122 | K | 32 | Very low | 34.3 | Very low | 193 Ų | 193 | 144.6 Ų | 144.6 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | | | trans | -126.6 | 68.6 | 165.3 | -92.3 | -170 | 173.3 | -177.6 | 0 | 111.8 | | |
| 123 | S | 32.3 | Very low | 34.1 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | trans | -85.5 | 113.7 | 152.6 | 62.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 124 | T | 29.4 | Very low | 34.1 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | | | trans | 43.3 | 92.6 | 151.1 | 60.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 125 | F | 30.3 | Very low | 34 | Very low | 201 Ų | 201 | 148.3 Ų | 148.3 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | | | trans | -133 | 56 | 154 | -155 | -92.6 | 0 | 0 | 0 | 110.8 | | |
| 126 | T | 36.1 | Very low | 33.8 | Very low | 116 Ų | 116 | 150.7 Ų | 150.7 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | | | trans | -71.6 | 117.7 | 152.5 | 41.3 | 0 | 0 | 0 | 0 | 106.7 | Q128 | T126-Q128 PolarHBondContact O-N 3.43Š|
| 127 | G | 32.2 | Very low | 33.9 | Very low | 75 Ų | 75 | 149.5 Ų | 149.5 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -72.3 | 33.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 128 | Q | 32.9 | Very low | 34.2 | Very low | 172 Ų | 172 | 149 Ų | 149 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -103.4 | 132.5 | 176.7 | -69.8 | -175.8 | -9.2 | 0 | 0 | 110.1 | T126 G130 | T126-Q128 PolarHBondContact O-N 3.43Å; Q128-G130 PolarHBondContact O-N 3.48Å |
| 129 | M | 29.5 | Very low | 34.6 | Very low | 195 Ų | 195 | 151.6 Ų | 151.6 | 96% | 0.961 | 80% | 0.796 | S | S | * | * | | | trans | -74.1 | 89.6 | 174.8 | -66.4 | -164.4 | 77 | 0 | 0 | 110.4 | | |
| 130 | G | 36.2 | Very low | 34.7 | Very low | 59 Ų | 59 | 154.6 Ų | 154.6 | 61% | 0.608 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 148.2 | 167 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q128 | Q128-G130 PolarHBondContact O-N 3.48Š|
| 131 | P | 33.9 | Very low | 35 | Very low | 128 Ų | 128 | 155.3 Ų | 155.3 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61 | 140.8 | -179.2 | 25.2 | -33.8 | 0 | 0 | 0 | 111.3 | | |
| 132 | R | 31.1 | Very low | 35.5 | Very low | 241 Ų | 241 | 148 Ų | 148 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 125.2 | 176.5 | -104.4 | -179.5 | 175.6 | 162.4 | -0.4 | 109.6 | S134 | R132-S134 PolarHBondContact O-N 3.41Š|
| 133 | P | 41.4 | Very low | 36.2 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 128.3 | 174.6 | 23.8 | -32.4 | 0 | 0 | 0 | 109.7 | | |
| 134 | S | 36.4 | Very low | 36.8 | Very low | 109 Ų | 109 | 146.6 Ų | 146.6 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 147.1 | 179.7 | 51.3 | 0 | 0 | 0 | 0 | 110.7 | R132 I136 | R132-S134 PolarHBondContact O-N 3.41Å; S134-I136 PolarHBondContact O-N 3.4Å |
| 135 | R | 32.4 | Very low | 37.4 | Very low | 237 Ų | 237 | 144.1 Ų | 144.1 | 89% | 0.894 | 77% | 0.771 | S | S | * | * | | | trans | -69.9 | 101.4 | -176 | 179.3 | 178.6 | 173.3 | 174.5 | -3.1 | 110.2 | Q137 | R135-Q137 PolarHBondContact O-N 3.39Š|
| 136 | I | 39.1 | Very low | 38.1 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | | | trans | -52.2 | 123.3 | 171 | -57.9 | 171.4 | 0 | 0 | 0 | 108.7 | S134 | S134-I136 PolarHBondContact O-N 3.4Š|
| 137 | Q | 38.7 | Very low | 38.5 | Very low | 151 Ų | 151 | 141 Ų | 141 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | trans | -79.1 | 133.4 | 177.2 | -62.6 | -169.2 | 37.1 | 0 | 0 | 109.4 | R135 R139 | R135-Q137 PolarHBondContact O-N 3.39Å; Q137-R139 PolarHBondContact O-N 3.47Å |
| 138 | P | 41.4 | Very low | 39.3 | Very low | 126 Ų | 126 | 141 Ų | 141 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | 47.2 | -172.8 | 35.8 | -38.3 | 0 | 0 | 0 | 112.3 | | |
| 139 | R | 40.7 | Very low | 40 | Very low | 230 Ų | 230 | 135.6 Ų | 135.6 | 87% | 0.868 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | -7.8 | -176.8 | -124.5 | 177.9 | -176.9 | 169 | -0.1 | 114.7 | Q137 | Q137-R139 PolarHBondContact O-N 3.47Š|
| 140 | E | 41.1 | Very low | 40.8 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -118.1 | -5.7 | -177.6 | -61 | -169.7 | 164 | 0 | 0 | 114.3 | G142 | E140-G142 PolarHBondContact O-N 3.14Š|
| 141 | Q | 39.2 | Very low | 41.4 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | | | trans | -90.9 | 89 | 169.5 | -69.4 | -172.1 | -5.9 | 0 | 0 | 109.8 | | |
| 142 | G | 39.4 | Very low | 42.3 | Very low | 38 Ų | 38 | 139 Ų | 139 | 39% | 0.392 | 71% | 0.709 | S | S | . | * | | | trans | -56.9 | 156.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | E140 N144 | E140-G142 PolarHBondContact O-N 3.14Å; G142-N144 CarbonylContact O-C 3.58Å; G142-N144 PolarHBondContact O-N 3.15Å |
| 143 | I | 46.4 | Very low | 43.2 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 86% | 0.856 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -61.2 | -22.9 | -166.5 | -68 | 172.9 | 0 | 0 | 0 | 112.9 | | |
| 144 | N | 44.9 | Very low | 43.8 | Very low | 103 Ų | 103 | 130 Ų | 130 | 55% | 0.551 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -128.1 | 130.5 | 161.6 | -64.5 | -57.6 | 0 | 0 | 0 | 109.4 | G142 L146 E147 | G142-N144 CarbonylContact O-C 3.58Å; G142-N144 PolarHBondContact O-N 3.15Å; N144-L146 PolarHBondContact O-N 3.14Å; N144-E147 PolarHBondContact O-N 2.91Å |
| 145 | G | 41.7 | Very low | 44.8 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 74% | 0.742 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 25.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 146 | L | 44.9 | Very low | 45.8 | Very low | 134 Ų | 134 | 120.4 Ų | 120.4 | 70% | 0.702 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | -29.5 | 178 | -71.3 | 165 | 0 | 0 | 0 | 112.2 | N144 A149 | N144-L146 PolarHBondContact O-N 3.14Å; L146-A149 PolarHBondContact O-N 3.14Å |
| 147 | E | 45.4 | Very low | 46.5 | Very low | 119 Ų | 119 | 117 Ų | 117 | 56% | 0.556 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.2 | -36.9 | -174.9 | -69.1 | -179 | 139.7 | 0 | 0 | 112.8 | N144 A149 Q150 Q151 | N144-E147 PolarHBondContact O-N 2.91Å; E147-A149 VanDerWaalsContact C-N 3.28Å; E147-A149 PolarHBondContact O-N 3.45Å; E147-Q150 PolarHBondContact O-N 3.21Å; E147-Q151 PolarHBondContact O-N 3.01Å |
| 148 | T | 48.2 | Very low | 47.3 | Very low | 74 Ų | 74 | 116.8 Ų | 116.8 | 45% | 0.454 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.6 | -21.7 | 178.6 | 15.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 149 | A | 47.4 | Very low | 48 | Very low | 59 Ų | 59 | 114.7 Ų | 114.7 | 49% | 0.488 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -73.1 | -46.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L146 E147 Q151 K152 V153 | L146-A149 PolarHBondContact O-N 3.14Å; E147-A149 VanDerWaalsContact C-N 3.28Å; E147-A149 PolarHBondContact O-N 3.45Å; A149-Q151 PolarHBondContact O-N 3.36Å; A149-K152 PolarHBondContact O-N 2.81Å; A149-V153 WeakPolarHBondContact O-CG2 3.44Å; A149-V153 PolarHBondContact O-N 2.8Å |
| 150 | Q | 46.5 | Very low | 48.6 | Very low | 149 Ų | 149 | 109.3 Ų | 109.3 | 70% | 0.696 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.1 | -35.2 | -176.3 | -67.9 | -173.5 | -17.4 | 0 | 0 | 113.2 | E147 V153 K154 | E147-Q150 PolarHBondContact O-N 3.21Å; Q150-V153 PolarHBondContact O-N 3.25Å; Q150-K154 PolarHBondContact O-N 3.41Å; Q150-K154 VanDerWaalsContact O-N 3.13Å |
| 151 | Q | 48.7 | Very low | 48.9 | Very low | 151 Ų | 151 | 108.5 Ų | 108.5 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.5 | -35.7 | 178.3 | -72.5 | -172.7 | -9.9 | 0 | 0 | 113.5 | E147 A149 S155 | E147-Q151 PolarHBondContact O-N 3.01Å; A149-Q151 PolarHBondContact O-N 3.36Å; Q151-S155 PolarHBondContact O-N 3.17Å; Q151-S155 PolarHBondContact O-OG 2.91Å |
| 152 | K | 52.9 | Low | 49.4 | Very low | 154 Ų | 154 | 106 Ų | 106 | 67% | 0.67 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.7 | -38.5 | 174.8 | -80.5 | -173.5 | 175.2 | -179.4 | 0 | 112.6 | A149 K154 S155 L156 | A149-K152 PolarHBondContact O-N 2.81Å; K152-K154 VanDerWaalsContact C-N 3.34Å; K152-S155 PolarHBondContact O-OG 2.91Å; K152-L156 PolarHBondContact O-N 3.32Å |
| 153 | V | 51.1 | Low | 50 | Low | 41 Ų | 41 | 109.9 Ų | 109.9 | 25% | 0.248 | 59% | 0.592 | C | S | . | * | H | α-helix | trans | -62.2 | -43.6 | 176.3 | 172 | 0 | 0 | 0 | 0 | 110.4 | A149 Q150 S155 L156 L157 I173 | A149-V153 WeakPolarHBondContact O-CG2 3.44Å; A149-V153 PolarHBondContact O-N 2.8Å; Q150-V153 PolarHBondContact O-N 3.25Å; V153-S155 PolarHBondContact O-N 3.2Å; V153-L156 PolarHBondContact O-N 2.89Å; V153-L157 HydrophobicContact CG1-CD1 3.51Å; V153-L157 WeakPolarHBondContact O-CD1 2.87Å; V153-L157 PolarHBondContact O-N 2.98Å; V153-I173 HydrophobicContact CG1-CG2 4.34Å |
| 154 | K | 54.2 | Low | 50 | Low | 134 Ų | 134 | 110 Ų | 110 | 58% | 0.583 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.4 | -43.6 | -178.3 | -163.3 | 176.8 | 179.9 | -164.8 | 0 | 113.4 | Q150 K152 L156 L157 E158 | Q150-K154 PolarHBondContact O-N 3.41Å; Q150-K154 VanDerWaalsContact O-N 3.13Å; K152-K154 VanDerWaalsContact C-N 3.34Å; K154-L156 VanDerWaalsContact C-N 3.34Å; K154-L156 PolarHBondContact O-N 3.06Å; K154-L157 PolarHBondContact O-N 2.89Å; K154-E158 WeakPolarHBondContact CE-OE1 3.4Å; K154-E158 IonicContact NZ-OE1 2.67Å; K154-E158 WeakPolarHBondContact O-CG 3.23Å; K154-E158 PolarHBondContact O-N 3.23Å |
| 155 | S | 56.2 | Low | 50.4 | Low | 69 Ų | 69 | 108.5 Ų | 108.5 | 48% | 0.483 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -71.7 | -25.3 | 177.9 | 59.2 | 0 | 0 | 0 | 0 | 113.9 | Q151 K152 V153 S159 | Q151-S155 PolarHBondContact O-N 3.17Å; Q151-S155 PolarHBondContact O-OG 2.91Å; K152-S155 PolarHBondContact O-OG 2.91Å; V153-S155 PolarHBondContact O-N 3.2Å; S155-S159 WeakPolarHBondContact O-CB 3.37Å; S155-S159 PolarHBondContact O-OG 2.9Å |
| 156 | L | 53.4 | Low | 51.2 | Low | 74 Ų | 74 | 110.8 Ų | 110.8 | 39% | 0.387 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -74.9 | -33.4 | 171.7 | -92.6 | 156.7 | 0 | 0 | 0 | 113.1 | K152 V153 K154 S159 | K152-L156 PolarHBondContact O-N 3.32Å; V153-L156 PolarHBondContact O-N 2.89Å; K154-L156 VanDerWaalsContact C-N 3.34Å; K154-L156 PolarHBondContact O-N 3.06Å; L156-S159 PolarHBondContact O-OG 3.06Å |
| 157 | L | 53.9 | Low | 51.7 | Low | 72 Ų | 72 | 111.5 Ų | 111.5 | 38% | 0.377 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -76 | -31.4 | 174 | -92.4 | 131.9 | 0 | 0 | 0 | 113.2 | V153 K154 S159 L162 I173 | V153-L157 HydrophobicContact CG1-CD1 3.51Å; V153-L157 WeakPolarHBondContact O-CD1 2.87Å; V153-L157 PolarHBondContact O-N 2.98Å; K154-L157 PolarHBondContact O-N 2.89Å; L157-S159 VanDerWaalsContact C-N 3.26Å; L157-S159 PolarHBondContact O-N 3.12Å; L157-L162 HydrophobicContact CD2-CD2 4.32Å; L157-I173 HydrophobicContact CD1-CG2 4.31Å |
| 158 | E | 55.5 | Low | 52.3 | Low | 146 Ų | 146 | 110.6 Ų | 110.6 | 68% | 0.682 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -4.6 | 176.1 | -73.1 | 174.2 | 173.9 | 0 | 0 | 113.7 | K154 | K154-E158 WeakPolarHBondContact CE-OE1 3.4Å; K154-E158 IonicContact NZ-OE1 2.67Å; K154-E158 WeakPolarHBondContact O-CG 3.23Å; K154-E158 PolarHBondContact O-N 3.23Å |
| 159 | S | 56.7 | Low | 52.7 | Low | 82 Ų | 82 | 109 Ų | 109 | 57% | 0.573 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | 5.2 | -173 | 56.3 | 0 | 0 | 0 | 0 | 116.2 | S155 L156 L157 | S155-S159 WeakPolarHBondContact O-CB 3.37Å; S155-S159 PolarHBondContact O-OG 2.9Å; L156-S159 PolarHBondContact O-OG 3.06Å; L157-S159 VanDerWaalsContact C-N 3.26Å; L157-S159 PolarHBondContact O-N 3.12Å |
| 160 | K | 52 | Low | 52.8 | Low | 116 Ų | 116 | 112.7 Ų | 112.7 | 50% | 0.504 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -138.8 | 124.3 | 178.3 | -67.3 | -174.4 | 179.1 | -178.8 | 0 | 111.9 | L162 | K160-L162 PolarHBondContact O-N 3.24Š|
| 161 | D | 47.4 | Very low | 53.2 | Low | 154 Ų | 154 | 111.5 Ų | 111.5 | 82% | 0.824 | 56% | 0.559 | S | S | * | * | | | trans | -59.2 | 124.7 | 173.1 | -75 | -46.1 | 0 | 0 | 0 | 110.9 | T163 | D161-T163 PolarHBondContact O-N 3.08Š|
| 162 | L | 51.2 | Low | 53.5 | Low | 118 Ų | 118 | 111.1 Ų | 111.1 | 62% | 0.618 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 18 | -163.7 | -89.7 | 143.2 | 0 | 0 | 0 | 115.6 | L157 K160 I165 | L157-L162 HydrophobicContact CD2-CD2 4.32Å; K160-L162 PolarHBondContact O-N 3.24Å; L162-I165 HydrophobicContact CD2-CD1 3.78Å |
| 163 | T | 50.9 | Low | 53.5 | Low | 119 Ų | 119 | 104.8 Ų | 104.8 | 73% | 0.73 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -11.9 | -172 | 51.5 | 0 | 0 | 0 | 0 | 114.9 | D161 | D161-T163 PolarHBondContact O-N 3.08Š|
| 164 | H | 47.3 | Very low | 53.3 | Low | 171 Ų | 171 | 108.9 Ų | 108.9 | 79% | 0.792 | 54% | 0.542 | S | S | * | . | | | trans | -137.9 | 79.7 | 174.1 | -78.9 | -56.5 | 0 | 0 | 0 | 112.7 | | |
| 165 | I | 53.8 | Low | 53 | Low | 71 Ų | 71 | 107.5 Ų | 107.5 | 36% | 0.364 | 55% | 0.546 | S | S | . | . | | | trans | -101.3 | 98.2 | 167.7 | -59 | -178.6 | 0 | 0 | 0 | 108.6 | L162 V169 Y170 I173 | L162-I165 HydrophobicContact CD2-CD1 3.78Å; I165-V169 HydrophobicContact CG2-CB 4.08Å; I165-V169 HydrophobicContact CG2-CG1 4.27Å; I165-Y170 HydrophobicContact CG2-CD2 4.08Å; I165-I173 HydrophobicContact CD1-CD1 4.46Å |
| 166 | N | 57.7 | Low | 52.6 | Low | 119 Ų | 119 | 110.1 Ų | 110.1 | 64% | 0.636 | 56% | 0.555 | S | S | * | * | | | trans | -67.8 | 154.4 | 162.9 | -78.9 | -7.3 | 0 | 0 | 0 | 109.9 | D168 V169 Y170 | N166-D168 PolarHBondContact O-N 3.29Å; N166-D168 VanDerWaalsContact O-N 3.07Å; N166-V169 WeakPolarHBondContact O-CB 3.29Å; N166-V169 PolarHBondContact O-N 3.42Å; N166-Y170 PolarHBondContact O-N 3.04Å |
| 167 | E | 55.7 | Low | 52.3 | Low | 149 Ų | 149 | 112.2 Ų | 112.2 | 70% | 0.696 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -53.1 | -34.4 | -176.4 | -65.3 | -170.9 | 155.4 | 0 | 0 | 113.8 | V169 Y170 K171 | E167-V169 VanDerWaalsContact C-N 3.29Å; E167-V169 PolarHBondContact O-N 3.33Å; E167-Y170 WeakPolarHBondContact O-CA 3.33Å; E167-Y170 WeakPolarHBondContact O-CB 3.49Å; E167-Y170 PolarHBondContact O-N 3.22Å; E167-Y170 VanDerWaalsContact O-N 3.09Å; E167-K171 WeakPolarHBondContact O-CG 3.36Å; E167-K171 PolarHBondContact O-N 3.42Å |
| 168 | D | 58.1 | Low | 51.9 | Low | 100 Ų | 100 | 114.1 Ų | 114.1 | 54% | 0.535 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.3 | -27.3 | 178.8 | -59.2 | -36 | 0 | 0 | 0 | 113.2 | N166 K171 Q172 | N166-D168 PolarHBondContact O-N 3.29Å; N166-D168 VanDerWaalsContact O-N 3.07Å; D168-K171 IonicContact OD1-NZ 3.77Å; D168-K171 PolarHBondContact OD1-NZ 3.24Å; D168-Q172 WeakPolarHBondContact O-CG 3.39Å; D168-Q172 PolarHBondContact O-N 3.11Å |
| 169 | V | 55.8 | Low | 51.3 | Low | 40 Ų | 40 | 113.4 Ų | 113.4 | 24% | 0.242 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -75.6 | -35 | 170.9 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | I165 N166 E167 Q172 I173 | I165-V169 HydrophobicContact CG2-CB 4.08Å; I165-V169 HydrophobicContact CG2-CG1 4.27Å; N166-V169 WeakPolarHBondContact O-CB 3.29Å; N166-V169 PolarHBondContact O-N 3.42Å; E167-V169 VanDerWaalsContact C-N 3.29Å; E167-V169 PolarHBondContact O-N 3.33Å; V169-Q172 PolarHBondContact O-N 2.96Å; V169-I173 HydrophobicContact CG1-CD1 3.95Å; V169-I173 WeakPolarHBondContact O-CG1 3.42Å; V169-I173 PolarHBondContact O-N 2.82Å |
| 170 | Y | 49.7 | Very low | 50.6 | Low | 137 Ų | 137 | 112.3 Ų | 112.3 | 54% | 0.537 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64 | -42.2 | 175.1 | -154.6 | -84.8 | 0 | 0 | 0 | 111.7 | I165 N166 E167 Q172 I173 Y174 | I165-Y170 HydrophobicContact CG2-CD2 4.08Å; N166-Y170 PolarHBondContact O-N 3.04Å; E167-Y170 WeakPolarHBondContact O-CA 3.33Å; E167-Y170 WeakPolarHBondContact O-CB 3.49Å; E167-Y170 PolarHBondContact O-N 3.22Å; E167-Y170 VanDerWaalsContact O-N 3.09Å; Y170-Q172 VanDerWaalsContact C-N 3.26Å; Y170-Q172 PolarHBondContact O-N 3.11Å; Y170-I173 PolarHBondContact O-N 2.78Å; Y170-Y174 HydrophobicContact CD1-CD2 4.19Å; Y170-Y174 AromaticContact CE1-CD2 3.76Å; Y170-Y174 HydrophobicContact CE1-CD2 3.76Å; Y170-Y174 HydrophobicContact CE1-CE2 4.3Å; Y170-Y174 PolarHBondContact O-N 3.34Å |
| 171 | K | 55 | Low | 50.5 | Low | 125 Ų | 125 | 111.9 Ų | 111.9 | 54% | 0.543 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.5 | -29.7 | 172.9 | -66.9 | 169.4 | -163.9 | 155.7 | 0 | 113.2 | E167 D168 Y174 | E167-K171 WeakPolarHBondContact O-CG 3.36Å; E167-K171 PolarHBondContact O-N 3.42Å; D168-K171 IonicContact OD1-NZ 3.77Å; D168-K171 PolarHBondContact OD1-NZ 3.24Å; K171-Y174 CarbonylContact O-C 3.56Å |
| 172 | Q | 56.1 | Low | 50.3 | Low | 142 Ų | 142 | 112.4 Ų | 112.4 | 66% | 0.664 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -78.4 | -32.9 | 174.6 | -72.2 | 176.6 | 15.6 | 0 | 0 | 113.3 | D168 V169 Y170 | D168-Q172 WeakPolarHBondContact O-CG 3.39Å; D168-Q172 PolarHBondContact O-N 3.11Å; V169-Q172 PolarHBondContact O-N 2.96Å; Y170-Q172 VanDerWaalsContact C-N 3.26Å; Y170-Q172 PolarHBondContact O-N 3.11Å |
| 173 | I | 51 | Low | 50.1 | Low | 22 Ų | 22 | 110.5 Ų | 110.5 | 11% | 0.113 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -76.9 | -38 | 179 | -65.9 | 165.3 | 0 | 0 | 0 | 110.8 | V153 L157 I165 V169 Y170 P175 | V153-I173 HydrophobicContact CG1-CG2 4.34Å; L157-I173 HydrophobicContact CD1-CG2 4.31Å; I165-I173 HydrophobicContact CD1-CD1 4.46Å; V169-I173 HydrophobicContact CG1-CD1 3.95Å; V169-I173 WeakPolarHBondContact O-CG1 3.42Å; V169-I173 PolarHBondContact O-N 2.82Å; Y170-I173 PolarHBondContact O-N 2.78Å; I173-P175 WeakPolarHBondContact O-CD 3.47Å |
| 174 | Y | 47.1 | Very low | 50.2 | Low | 127 Ų | 127 | 108.6 Ų | 108.6 | 50% | 0.498 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -115.9 | 84.2 | 173.7 | -67.5 | -81.8 | 0 | 0 | 0 | 110.5 | Y170 K171 L176 | Y170-Y174 HydrophobicContact CD1-CD2 4.19Å; Y170-Y174 AromaticContact CE1-CD2 3.76Å; Y170-Y174 HydrophobicContact CE1-CD2 3.76Å; Y170-Y174 HydrophobicContact CE1-CE2 4.3Å; Y170-Y174 PolarHBondContact O-N 3.34Å; K171-Y174 CarbonylContact O-C 3.56Å; Y174-L176 PolarHBondContact O-N 2.87Å |
| 175 | P | 49.1 | Very low | 50.3 | Low | 104 Ų | 104 | 106 Ų | 106 | 68% | 0.675 | 55% | 0.546 | S | S | * | . | | | trans | -68.4 | 85.4 | 165.4 | 30.3 | -33.7 | 0 | 0 | 0 | 108.6 | I173 | I173-P175 WeakPolarHBondContact O-CD 3.47Š|
| 176 | L | 47 | Very low | 50.1 | Low | 125 Ų | 125 | 107.7 Ų | 107.7 | 65% | 0.654 | 55% | 0.551 | S | S | * | * | | | trans | -53.9 | 132.5 | 159.4 | -77.7 | 161.4 | 0 | 0 | 0 | 107.4 | Y174 N178 | Y174-L176 PolarHBondContact O-N 2.87Å; L176-N178 PolarHBondContact O-N 2.67Å |
| 177 | P | 47.9 | Very low | 49.8 | Very low | 117 Ų | 117 | 107.3 Ų | 107.3 | 76% | 0.76 | 55% | 0.549 | S | S | * | . | | | trans | -76.6 | 61.6 | 177.8 | 33.8 | -36 | 0 | 0 | 0 | 110.2 | | |
| 178 | N | 45.9 | Very low | 49.2 | Very low | 112 Ų | 112 | 107 Ų | 107 | 60% | 0.599 | 55% | 0.547 | S | S | * | . | | | trans | -70.6 | -27.3 | 176.5 | -71.4 | -4.9 | 0 | 0 | 0 | 111 | L176 S180 N183 | L176-N178 PolarHBondContact O-N 2.67Å; N178-S180 PolarHBondContact O-N 3.38Å; N178-N183 PolarHBondContact O-ND2 3.5Å |
| 179 | D | 41.3 | Very low | 48.5 | Very low | 131 Ų | 131 | 109.4 Ų | 109.4 | 70% | 0.701 | 56% | 0.555 | S | S | * | * | | | trans | -94.6 | 74.6 | 171.1 | -56 | -34.7 | 0 | 0 | 0 | 109.8 | | |
| 180 | S | 41.9 | Very low | 48 | Very low | 59 Ų | 59 | 112 Ų | 112 | 41% | 0.413 | 57% | 0.567 | S | S | . | * | | | trans | -60.6 | 139.3 | 150.6 | 77 | 0 | 0 | 0 | 0 | 107.7 | N178 Y182 N183 | N178-S180 PolarHBondContact O-N 3.38Å; S180-Y182 PolarHBondContact O-N 2.95Å; S180-N183 PolarHBondContact O-N 3.14Å |
| 181 | T | 50.1 | Low | 47.6 | Very low | 108 Ų | 108 | 111.3 Ų | 111.3 | 66% | 0.663 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -53.6 | -20.7 | 178.3 | 38.5 | 0 | 0 | 0 | 0 | 113.3 | N183 T184 D185 | T181-N183 VanDerWaalsContact C-N 3.31Å; T181-N183 PolarHBondContact O-N 3.34Å; T181-T184 PolarHBondContact O-N 3.31Å; T181-T184 PolarHBondContact O-OG1 3.49Å; T181-D185 WeakPolarHBondContact O-CB 3.32Å; T181-D185 PolarHBondContact O-N 2.95Å; T181-D185 VanDerWaalsContact O-N 3.11Å |
| 182 | Y | 43.1 | Very low | 47 | Very low | 165 Ų | 165 | 111.5 Ų | 111.5 | 65% | 0.647 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62 | -30.6 | 173.8 | -155.7 | -98.2 | 0 | 0 | 0 | 114.3 | S180 F186 | S180-Y182 PolarHBondContact O-N 2.95Å; Y182-F186 HydrophobicContact CD2-CE2 4.38Å; Y182-F186 HydrophobicContact CE2-CE2 4.03Å; Y182-F186 WeakPolarHBondContact O-CD2 3.38Å |
| 183 | N | 47.2 | Very low | 46.3 | Very low | 77 Ų | 77 | 111.8 Ų | 111.8 | 41% | 0.412 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -80.2 | -35 | 179 | -82 | -14.6 | 0 | 0 | 0 | 112.6 | N178 S180 T181 N187 | N178-N183 PolarHBondContact O-ND2 3.5Å; S180-N183 PolarHBondContact O-N 3.14Å; T181-N183 VanDerWaalsContact C-N 3.31Å; T181-N183 PolarHBondContact O-N 3.34Å; N183-N187 WeakPolarHBondContact O-CB 3.5Å; N183-N187 PolarHBondContact O-ND2 3.21Å; N183-N187 VanDerWaalsContact O-ND2 3.08Å |
| 184 | T | 54.1 | Low | 46 | Very low | 80 Ų | 80 | 115.5 Ų | 115.5 | 49% | 0.491 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -74.7 | -36 | 177.6 | 46.8 | 0 | 0 | 0 | 0 | 112.3 | T181 F186 | T181-T184 PolarHBondContact O-N 3.31Å; T181-T184 PolarHBondContact O-OG1 3.49Å; T184-F186 VanDerWaalsContact C-N 3.26Å; T184-F186 PolarHBondContact O-N 3.3Å |
| 185 | D | 50 | Low | 45.5 | Very low | 116 Ų | 116 | 117.8 Ų | 117.8 | 62% | 0.62 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73 | -14.8 | -174.6 | -70.5 | -3.9 | 0 | 0 | 0 | 113.8 | T181 | T181-D185 WeakPolarHBondContact O-CB 3.32Å; T181-D185 PolarHBondContact O-N 2.95Å; T181-D185 VanDerWaalsContact O-N 3.11Å |
| 186 | F | 49 | Very low | 45.1 | Very low | 107 Ų | 107 | 117.1 Ų | 117.1 | 47% | 0.469 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -120.3 | -19.9 | -172.8 | -79 | -81.7 | 0 | 0 | 0 | 116.3 | Y182 T184 I190 | Y182-F186 HydrophobicContact CD2-CE2 4.38Å; Y182-F186 HydrophobicContact CE2-CE2 4.03Å; Y182-F186 WeakPolarHBondContact O-CD2 3.38Å; T184-F186 VanDerWaalsContact C-N 3.26Å; T184-F186 PolarHBondContact O-N 3.3Å; F186-I190 HydrophobicContact CD1-CD1 4.09Å |
| 187 | N | 50.2 | Low | 44.7 | Very low | 110 Ų | 110 | 118.9 Ų | 118.9 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -96.2 | -26.4 | -166.2 | -75 | -31.2 | 0 | 0 | 0 | 116.6 | N183 | N183-N187 WeakPolarHBondContact O-CB 3.5Å; N183-N187 PolarHBondContact O-ND2 3.21Å; N183-N187 VanDerWaalsContact O-ND2 3.08Å |
| 188 | E | 43.2 | Very low | 44.3 | Very low | 142 Ų | 142 | 121.1 Ų | 121.1 | 66% | 0.664 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -100.6 | -21.4 | -165.1 | -62.9 | -161.6 | 147.3 | 0 | 0 | 116.6 | Q192 | E188-Q192 PolarHBondContact O-OE1 3.05Š|
| 189 | H | 43.7 | Very low | 44.2 | Very low | 151 Ų | 151 | 120.7 Ų | 120.7 | 70% | 0.699 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -131.1 | 4.1 | -172.2 | -65.5 | -37 | 0 | 0 | 0 | 117.1 | Q192 | H189-Q192 PolarHBondContact ND1-OE1 2.81Š|
| 190 | I | 46.4 | Very low | 44.3 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 49% | 0.492 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -87.8 | -20.6 | 179.3 | -62.5 | 177.7 | 0 | 0 | 0 | 112.4 | F186 | F186-I190 HydrophobicContact CD1-CD1 4.09Š|
| 191 | F | 40 | Very low | 44.1 | Very low | 121 Ų | 121 | 124.4 Ų | 124.4 | 53% | 0.531 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -115.7 | -10.4 | -172.8 | -62.9 | -71.2 | 0 | 0 | 0 | 115.5 | D193 V194 Y195 | F191-D193 VanDerWaalsContact C-N 3.28Å; F191-D193 PolarHBondContact O-N 3.25Å; F191-V194 PolarHBondContact O-N 3.38Å; F191-V194 VanDerWaalsContact O-N 3.09Å; F191-Y195 HydrophobicContact CB-CD2 4.36Å; F191-Y195 HydrophobicContact CB-CE2 4.24Å; F191-Y195 WeakPolarHBondContact O-CD2 3.47Å |
| 192 | Q | 44 | Very low | 43.6 | Very low | 130 Ų | 130 | 126 Ų | 126 | 61% | 0.607 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -27.6 | -179.9 | -83.4 | 176.1 | -20.9 | 0 | 0 | 113.4 | E188 H189 V194 S196 | E188-Q192 PolarHBondContact O-OE1 3.05Å; H189-Q192 PolarHBondContact ND1-OE1 2.81Å; Q192-V194 PolarHBondContact O-N 3.44Å; Q192-S196 PolarHBondContact O-OG 3.29Å |
| 193 | D | 40.1 | Very low | 43.5 | Very low | 148 Ų | 148 | 124.8 Ų | 124.8 | 79% | 0.791 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -1.6 | 174.6 | -67.9 | -15.8 | 0 | 0 | 0 | 113.7 | F191 | F191-D193 VanDerWaalsContact C-N 3.28Å; F191-D193 PolarHBondContact O-N 3.25Å |
| 194 | V | 44.9 | Very low | 43 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 61% | 0.606 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | -17.9 | -176.6 | -175 | 0 | 0 | 0 | 0 | 112.6 | F191 Q192 | F191-V194 PolarHBondContact O-N 3.38Å; F191-V194 VanDerWaalsContact O-N 3.09Å; Q192-V194 PolarHBondContact O-N 3.44Å |
| 195 | Y | 37.7 | Very low | 42.4 | Very low | 174 Ų | 174 | 128.6 Ų | 128.6 | 68% | 0.682 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -118.6 | 15.7 | -174.6 | -66.4 | -71.8 | 0 | 0 | 0 | 114.2 | F191 | F191-Y195 HydrophobicContact CB-CD2 4.36Å; F191-Y195 HydrophobicContact CB-CE2 4.24Å; F191-Y195 WeakPolarHBondContact O-CD2 3.47Å |
| 196 | S | 40.7 | Very low | 42 | Very low | 90 Ų | 90 | 132.2 Ų | 132.2 | 63% | 0.629 | 68% | 0.682 | S | S | * | * | | | trans | -92.8 | 6.8 | -172.2 | 45.1 | 0 | 0 | 0 | 0 | 115.9 | Q192 | Q192-S196 PolarHBondContact O-OG 3.29Š|
| 197 | E | 38.2 | Very low | 41.5 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 76% | 0.757 | 70% | 0.695 | S | S | * | * | | | trans | -128 | 88.8 | 168.3 | -72 | -168.3 | 164.4 | 0 | 0 | 111.8 | T199 | E197-T199 PolarHBondContact O-N 3.02Š|
| 198 | N | 39.6 | Very low | 41.2 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 88% | 0.877 | 70% | 0.701 | S | S | * | * | | | trans | -73.2 | 33.2 | 170.1 | -83 | -27.2 | 0 | 0 | 0 | 113.3 | | |
| 199 | T | 42.6 | Very low | 41.3 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 64% | 0.638 | 70% | 0.702 | S | S | * | * | | | trans | -109.7 | 84.7 | 167 | 36.2 | 0 | 0 | 0 | 0 | 108.4 | E197 P201 | E197-T199 PolarHBondContact O-N 3.02Å; T199-P201 WeakPolarHBondContact O-CD 3.24Å; T199-P201 VanDerWaalsContact O-N 3.12Å |
| 200 | L | 43.6 | Very low | 41.3 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 87% | 0.874 | 70% | 0.696 | S | S | * | * | | | trans | -50.3 | 120.5 | 165.2 | -74.6 | 168.6 | 0 | 0 | 0 | 108.1 | N202 | L200-N202 PolarHBondContact O-N 3.42Š|
| 201 | P | 38.9 | Very low | 41.3 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 66% | 0.656 | 70% | 0.704 | S | S | * | * | | | trans | -62.1 | 127.3 | 176.1 | 25.3 | -32.4 | 0 | 0 | 0 | 107.5 | T199 I203 | T199-P201 WeakPolarHBondContact O-CD 3.24Å; T199-P201 VanDerWaalsContact O-N 3.12Å; P201-I203 VanDerWaalsContact C-N 3.26Å; P201-I203 PolarHBondContact O-N 2.91Å |
| 202 | N | 38.5 | Very low | 41.6 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 75% | 0.749 | 70% | 0.704 | S | S | * | * | | | trans | -69.6 | 89 | 177 | -171.9 | 5.1 | 0 | 0 | 0 | 108.7 | L200 N204 | L200-N202 PolarHBondContact O-N 3.42Å; N202-N204 VanDerWaalsContact C-N 3.25Å; N202-N204 PolarHBondContact O-N 3.23Å |
| 203 | I | 40.8 | Very low | 42 | Very low | 140 Ų | 140 | 131.4 Ų | 131.4 | 72% | 0.718 | 71% | 0.705 | S | S | * | * | | | trans | -69.2 | 89.1 | 176.7 | -61.6 | 167.1 | 0 | 0 | 0 | 106.9 | P201 S205 | P201-I203 VanDerWaalsContact C-N 3.26Å; P201-I203 PolarHBondContact O-N 2.91Å; I203-S205 PolarHBondContact O-N 3.46Å |
| 204 | N | 38 | Very low | 42.3 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 68% | 0.679 | 69% | 0.693 | S | S | * | * | | | trans | -55.7 | 102.4 | 169.1 | -78.5 | -48.2 | 0 | 0 | 0 | 108.6 | N202 K206 | N202-N204 VanDerWaalsContact C-N 3.25Å; N202-N204 PolarHBondContact O-N 3.23Å; N204-K206 PolarHBondContact O-N 2.92Å |
| 205 | S | 40.3 | Very low | 42.6 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | | | trans | -73.9 | 54.7 | 178.3 | 52.3 | 0 | 0 | 0 | 0 | 111.9 | I203 M207 | I203-S205 PolarHBondContact O-N 3.46Å; S205-M207 PolarHBondContact O-N 3.08Å |
| 206 | K | 41.2 | Very low | 43.4 | Very low | 191 Ų | 191 | 134 Ų | 134 | 83% | 0.83 | 70% | 0.7 | S | S | * | * | | | trans | -70.9 | 90.5 | 157.6 | -73.7 | -169.7 | 175.4 | -177.1 | 0 | 107.2 | N204 Q208 | N204-K206 PolarHBondContact O-N 2.92Å; K206-Q208 VanDerWaalsContact C-N 3.33Å; K206-Q208 PolarHBondContact O-N 3.37Å |
| 207 | M | 38.9 | Very low | 44.1 | Very low | 153 Ų | 153 | 135 Ų | 135 | 75% | 0.754 | 70% | 0.698 | S | S | * | * | | | trans | -53.6 | 103.6 | 161.4 | -71.2 | -173.5 | 73.7 | 0 | 0 | 107.7 | S205 | S205-M207 PolarHBondContact O-N 3.08Š|
| 208 | Q | 44.4 | Very low | 44.6 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | | | trans | -112.5 | 103.2 | 157.7 | -135.6 | 174.2 | 6.1 | 0 | 0 | 104.1 | K206 N210 | K206-Q208 VanDerWaalsContact C-N 3.33Å; K206-Q208 PolarHBondContact O-N 3.37Å; Q208-N210 PolarHBondContact O-N 3.05Å |
| 209 | D | 45.3 | Very low | 44.8 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 69% | 0.69 | 67% | 0.67 | S | S | * | * | | | trans | -70.3 | 57.7 | 174.7 | -67.2 | -40.8 | 0 | 0 | 0 | 110 | S211 | D209-S211 PolarHBondContact O-N 2.98Å; D209-S211 VanDerWaalsContact O-N 3.09Å |
| 210 | N | 43.3 | Very low | 45 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 58% | 0.583 | 67% | 0.673 | S | S | * | * | | | trans | -84.3 | 60.6 | 164.2 | -68.2 | -17.7 | 0 | 0 | 0 | 107.2 | Q208 T212 | Q208-N210 PolarHBondContact O-N 3.05Å; N210-T212 PolarHBondContact O-N 2.85Å |
| 211 | S | 47 | Very low | 45.3 | Very low | 93 Ų | 93 | 133.6 Ų | 133.6 | 65% | 0.65 | 67% | 0.67 | S | S | * | * | | | trans | -61.8 | 78.3 | 159.5 | 53.6 | 0 | 0 | 0 | 0 | 107.5 | D209 D213 | D209-S211 PolarHBondContact O-N 2.98Å; D209-S211 VanDerWaalsContact O-N 3.09Å; S211-D213 PolarHBondContact O-N 3.31Å |
| 212 | T | 45.9 | Very low | 45.9 | Very low | 85 Ų | 85 | 136.3 Ų | 136.3 | 52% | 0.521 | 68% | 0.678 | S | S | . | * | | | trans | -64.9 | 122.3 | 175.4 | 45.1 | 0 | 0 | 0 | 0 | 107.3 | N210 Y214 R215 | N210-T212 PolarHBondContact O-N 2.85Å; T212-Y214 PolarHBondContact O-N 3.24Å; T212-R215 PolarHBondContact O-N 2.9Å |
| 213 | D | 52.5 | Low | 46.7 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 64% | 0.642 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -46.9 | -25.6 | 176 | -65.4 | -58.8 | 0 | 0 | 0 | 112.3 | S211 R215 E216 N217 | S211-D213 PolarHBondContact O-N 3.31Å; D213-R215 VanDerWaalsContact C-N 3.31Å; D213-R215 PolarHBondContact O-N 2.69Å; D213-E216 PolarHBondContact O-N 3.45Å; D213-N217 VanDerWaalsContact O-CB 3.26Å; D213-N217 WeakPolarHBondContact O-CB 3.5Å; D213-N217 PolarHBondContact O-N 3.47Å; D213-N217 PolarHBondContact O-ND2 2.88Å |
| 214 | Y | 46.3 | Very low | 47.4 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 54% | 0.541 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -55.3 | -40 | 174.2 | -162.9 | -94.6 | 0 | 0 | 0 | 113.9 | T212 Y218 | T212-Y214 PolarHBondContact O-N 3.24Å; Y214-Y218 AromaticContact CD2-CD2 3.48Å; Y214-Y218 HydrophobicContact CD2-CD2 3.48Å; Y214-Y218 VanDerWaalsContact CD2-CD2 3.48Å; Y214-Y218 AromaticContact CD2-CE2 3.87Å; Y214-Y218 HydrophobicContact CD2-CE2 3.87Å; Y214-Y218 HydrophobicContact CD2-CG 4.21Å; Y214-Y218 AromaticContact CE2-CD2 3.69Å; Y214-Y218 HydrophobicContact CE2-CD2 3.69Å; Y214-Y218 HydrophobicContact CE2-CE2 4.14Å; Y214-Y218 AromaticContact CE2-CG 3.99Å; Y214-Y218 HydrophobicContact CE2-CG 3.99Å; Y214-Y218 AromaticContact CG-CD2 3.98Å; Y214-Y218 HydrophobicContact CG-CD2 3.98Å; Y214-Y218 WeakPolarHBondContact O-CB 3.44Å; Y214-Y218 PolarHBondContact O-N 2.98Å |
| 215 | R | 51.6 | Low | 48.3 | Very low | 184 Ų | 184 | 134.8 Ų | 134.8 | 69% | 0.694 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -76.8 | -30.5 | -175.2 | -149.2 | 177.2 | -171.6 | -177.9 | 2.1 | 112.5 | T212 D213 H219 | T212-R215 PolarHBondContact O-N 2.9Å; D213-R215 VanDerWaalsContact C-N 3.31Å; D213-R215 PolarHBondContact O-N 2.69Å; R215-H219 WeakPolarHBondContact O-CB 3.45Å |
| 216 | E | 54.9 | Low | 49 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 73% | 0.729 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -80.8 | -38.2 | 173.7 | -61.7 | -164.3 | 156.5 | 0 | 0 | 112.1 | D213 | D213-E216 PolarHBondContact O-N 3.45Å |
| 217 | N | 54.6 | Low | 49.7 | Very low | 110 Ų | 110 | 136 Ų | 136 | 59% | 0.588 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -84.7 | -30.4 | -176 | -70.7 | -64 | 0 | 0 | 0 | 115.1 | D213 | D213-N217 VanDerWaalsContact O-CB 3.26Å; D213-N217 WeakPolarHBondContact O-CB 3.5Å; D213-N217 PolarHBondContact O-N 3.47Å; D213-N217 PolarHBondContact O-ND2 2.88Å |
| 218 | Y | 48.3 | Very low | 50.9 | Low | 158 Ų | 158 | 134 Ų | 134 | 62% | 0.62 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -116.9 | -7.1 | -174.1 | -59.3 | -86.2 | 0 | 0 | 0 | 114.5 | Y214 | Y214-Y218 AromaticContact CD2-CD2 3.48Å; Y214-Y218 HydrophobicContact CD2-CD2 3.48Å; Y214-Y218 VanDerWaalsContact CD2-CD2 3.48Å; Y214-Y218 AromaticContact CD2-CE2 3.87Å; Y214-Y218 HydrophobicContact CD2-CE2 3.87Å; Y214-Y218 HydrophobicContact CD2-CG 4.21Å; Y214-Y218 AromaticContact CE2-CD2 3.69Å; Y214-Y218 HydrophobicContact CE2-CD2 3.69Å; Y214-Y218 HydrophobicContact CE2-CE2 4.14Å; Y214-Y218 AromaticContact CE2-CG 3.99Å; Y214-Y218 HydrophobicContact CE2-CG 3.99Å; Y214-Y218 AromaticContact CG-CD2 3.98Å; Y214-Y218 HydrophobicContact CG-CD2 3.98Å; Y214-Y218 WeakPolarHBondContact O-CB 3.44Å; Y214-Y218 PolarHBondContact O-N 2.98Å |
| 219 | H | 44.2 | Very low | 51.6 | Low | 94 Ų | 94 | 131 Ų | 131 | 44% | 0.435 | 65% | 0.649 | S | S | . | * | | | trans | -123 | 57 | 175.8 | -67.3 | -20.5 | 0 | 0 | 0 | 111.6 | R215 W221 | R215-H219 WeakPolarHBondContact O-CB 3.45Å; H219-W221 PolarHBondContact O-N 2.95Å |
| 220 | S | 46.3 | Very low | 52.3 | Low | 101 Ų | 101 | 128.3 Ų | 128.3 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | | | trans | -66.6 | 75.9 | 153.8 | 53.7 | 0 | 0 | 0 | 0 | 109.6 | I222 | S220-I222 PolarHBondContact O-N 3.31Š|
| 221 | W | 49.6 | Very low | 52.8 | Low | 214 Ų | 214 | 126.9 Ų | 126.9 | 81% | 0.811 | 63% | 0.625 | S | S | * | * | | | trans | -52 | 114.3 | 161.2 | -69.3 | 78.8 | 0 | 0 | 0 | 106.3 | H219 K223 | H219-W221 PolarHBondContact O-N 2.95Å; W221-K223 PolarHBondContact O-N 3.42Å |
| 222 | I | 52 | Low | 53.3 | Low | 159 Ų | 159 | 127.9 Ų | 127.9 | 82% | 0.815 | 62% | 0.619 | S | S | * | * | | | trans | -56.7 | 105.8 | 179.6 | -63.6 | 172.5 | 0 | 0 | 0 | 105.8 | S220 P224 | S220-I222 PolarHBondContact O-N 3.31Å; I222-P224 WeakPolarHBondContact O-CD 3.46Å; I222-P224 VanDerWaalsContact O-N 3.07Å |
| 223 | K | 55.5 | Low | 53.3 | Low | 188 Ų | 188 | 131.3 Ų | 131.3 | 82% | 0.817 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 119.7 | 180 | -71.3 | -178.9 | 179.3 | 176.3 | 0 | 105.9 | W221 | W221-K223 PolarHBondContact O-N 3.42Š|
| 224 | P | 54.6 | Low | 53.5 | Low | 114 Ų | 114 | 130 Ų | 130 | 74% | 0.74 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 130.8 | -177.7 | 21.3 | -31.9 | 0 | 0 | 0 | 107.9 | I222 R226 | I222-P224 WeakPolarHBondContact O-CD 3.46Å; I222-P224 VanDerWaalsContact O-N 3.07Å; P224-R226 PolarHBondContact O-N 3.11Å |
| 225 | P | 56.6 | Low | 54.3 | Low | 73 Ų | 73 | 126.1 Ų | 126.1 | 47% | 0.474 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -57 | 135.6 | -178.3 | 17.6 | -26 | 0 | 0 | 0 | 108.9 | V229 I230 | P225-V229 HydrophobicContact CB-CB 4.26Å; P225-V229 HydrophobicContact CB-CG1 4.29Å; P225-I230 HydrophobicContact CB-CD1 4.34Å; P225-I230 HydrophobicContact CB-CG1 4.07Å; P225-I230 HydrophobicContact CG-CD1 4.03Å; P225-I230 HydrophobicContact CG-CG1 3.96Å; P225-I230 WeakPolarHBondContact O-CD1 3.35Å |
| 226 | R | 56.9 | Low | 54.3 | Low | 194 Ų | 194 | 127.5 Ų | 127.5 | 73% | 0.732 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 151.8 | 179.5 | -71 | 178.8 | 167.1 | -177.7 | -4.6 | 109.7 | P224 D228 V229 I230 | P224-R226 PolarHBondContact O-N 3.11Å; R226-D228 WeakPolarHBondContact CB-OD1 3.45Å; R226-D228 PolarHBondContact O-N 3.04Å; R226-D228 VanDerWaalsContact O-N 3.11Å; R226-V229 HydrophobicContact CB-CG2 4.47Å; R226-V229 WeakPolarHBondContact O-CA 3.33Å; R226-V229 WeakPolarHBondContact O-CB 3.49Å; R226-V229 PolarHBondContact O-N 2.89Å; R226-I230 PolarHBondContact O-N 3.48Å |
| 227 | N | 54 | Low | 53.6 | Low | 132 Ų | 132 | 125.4 Ų | 125.4 | 71% | 0.706 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -59.1 | -27.9 | -172.7 | -71.6 | -12.3 | 0 | 0 | 0 | 113.8 | V229 I230 M231 | N227-V229 VanDerWaalsContact C-N 3.31Å; N227-I230 PolarHBondContact O-N 3.01Å; N227-M231 WeakPolarHBondContact O-CB 2.89Å; N227-M231 PolarHBondContact O-N 2.81Å |
| 228 | D | 64 | Low | 53.5 | Low | 111 Ų | 111 | 127.3 Ų | 127.3 | 59% | 0.594 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.9 | -26.6 | 172.8 | 57.7 | -24.2 | 0 | 0 | 0 | 113.7 | R226 | R226-D228 WeakPolarHBondContact CB-OD1 3.45Å; R226-D228 PolarHBondContact O-N 3.04Å; R226-D228 VanDerWaalsContact O-N 3.11Å |
| 229 | V | 60.6 | Low | 54.2 | Low | 89 Ų | 89 | 125.5 Ų | 125.5 | 54% | 0.539 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -78.2 | -33.2 | 172.8 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | P225 R226 N227 T241 | P225-V229 HydrophobicContact CB-CB 4.26Å; P225-V229 HydrophobicContact CB-CG1 4.29Å; R226-V229 HydrophobicContact CB-CG2 4.47Å; R226-V229 WeakPolarHBondContact O-CA 3.33Å; R226-V229 WeakPolarHBondContact O-CB 3.49Å; R226-V229 PolarHBondContact O-N 2.89Å; N227-V229 VanDerWaalsContact C-N 3.31Å; V229-T241 PolarHBondContact O-OG1 3Å |
| 230 | I | 58.5 | Low | 54.9 | Low | 73 Ų | 73 | 125.7 Ų | 125.7 | 37% | 0.374 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -88.4 | -30.2 | -176.5 | -53.7 | 158.8 | 0 | 0 | 0 | 112.6 | P225 R226 N227 P240 T241 | P225-I230 HydrophobicContact CB-CD1 4.34Å; P225-I230 HydrophobicContact CB-CG1 4.07Å; P225-I230 HydrophobicContact CG-CD1 4.03Å; P225-I230 HydrophobicContact CG-CG1 3.96Å; P225-I230 WeakPolarHBondContact O-CD1 3.35Å; R226-I230 PolarHBondContact O-N 3.48Å; N227-I230 PolarHBondContact O-N 3.01Å; I230-P240 CarbonylContact O-C 3.52Å; I230-P240 WeakPolarHBondContact O-CA 3.42Å; I230-T241 VanDerWaalsContact C-OG1 3.26Å; I230-T241 WeakPolarHBondContact CA-OG1 3.35Å; I230-T241 PolarHBondContact O-N 3.03Å; I230-T241 PolarHBondContact O-OG1 3.07Å |
| 231 | M | 54.8 | Low | 55.5 | Low | 78 Ų | 78 | 123.2 Ų | 123.2 | 38% | 0.384 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.6 | 114 | -171.2 | -71.7 | -108.5 | -77.5 | 0 | 0 | 111.2 | N227 W238 | N227-M231 WeakPolarHBondContact O-CB 2.89Å; N227-M231 PolarHBondContact O-N 2.81Å; M231-W238 HydrophobicContact CB-CE3 4.19Å; M231-W238 HydrophobicContact CE-CB 3.8Å; M231-W238 HydrophobicContact CE-CG 4.26Å; M231-W238 HydrophobicContact SD-CB 4.35Å |
| 232 | Q | 56.7 | Low | 56.2 | Low | 114 Ų | 114 | 117.4 Ų | 117.4 | 53% | 0.533 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.8 | 130.5 | 175.1 | -163.3 | 173.9 | 19.8 | 0 | 0 | 110.2 | I234 K239 T241 | Q232-I234 HydrophobicContact CG-CG1 4.35Å; Q232-I234 PolarHBondContact O-N 3.19Å; Q232-K239 PolarHBondContact N-O 2.97Å; Q232-K239 PolarHBondContact O-N 3.15Å; Q232-T241 HydrophobicContact CB-CG2 3.89Å |
| 233 | R | 47.2 | Very low | 56.7 | Low | 158 Ų | 158 | 115.1 Ų | 115.1 | 60% | 0.596 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80 | 116 | 173.4 | -163.1 | 178.2 | -173.1 | -144.5 | 2.5 | 109.5 | G235 W238 | R233-G235 WeakPolarHBondContact CG-O 3.42Å; R233-W238 HydrophobicContact CB-CD2 4.39Å; R233-W238 HydrophobicContact CB-CE3 3.91Å; R233-W238 HydrophobicContact CB-CH2 4.1Å; R233-W238 HydrophobicContact CB-CZ3 3.76Å; R233-W238 HydrophobicContact CG-CD2 4.31Å; R233-W238 HydrophobicContact CG-CE3 4.33Å; R233-W238 HydrophobicContact CG-CH2 4.3Å; R233-W238 HydrophobicContact CG-CZ2 4.26Å; R233-W238 HydrophobicContact CG-CZ3 4.33Å |
| 234 | I | 56.8 | Low | 56.7 | Low | 91 Ų | 91 | 111.2 Ų | 111.2 | 47% | 0.467 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.8 | 92.6 | 179 | -60 | 177.3 | 0 | 0 | 0 | 107.7 | Q232 N237 K239 | Q232-I234 HydrophobicContact CG-CG1 4.35Å; Q232-I234 PolarHBondContact O-N 3.19Å; I234-N237 PolarHBondContact N-O 3.11Å; I234-N237 PolarHBondContact O-N 3.43Å; I234-K239 HydrophobicContact CD1-CB 4.48Å; I234-K239 HydrophobicContact CD1-CD 4.29Å |
| 235 | G | 63.4 | Low | 56.8 | Low | 57 Ų | 57 | 116 Ų | 116 | 59% | 0.588 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.8 | -128.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R233 N237 | R233-G235 WeakPolarHBondContact CG-O 3.42Å; G235-N237 VanDerWaalsContact C-N 3.33Å |
| 236 | Y | 49.8 | Very low | 57.1 | Low | 213 Ų | 213 | 119.1 Ų | 119.1 | 84% | 0.835 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -10.1 | 177.9 | -63.5 | -75.3 | 0 | 0 | 0 | 114 | | |
| 237 | N | 40.9 | Very low | 57.5 | Low | 112 Ų | 112 | 115.1 Ų | 115.1 | 60% | 0.599 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108 | 139.1 | -174 | -65.1 | -30.9 | 0 | 0 | 0 | 111.5 | I234 G235 | I234-N237 PolarHBondContact N-O 3.11Å; I234-N237 PolarHBondContact O-N 3.43Å; G235-N237 VanDerWaalsContact C-N 3.33Å |
| 238 | W | 52.7 | Low | 58.1 | Low | 150 Ų | 150 | 115.4 Ų | 115.4 | 57% | 0.568 | 60% | 0.601 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86 | 135.8 | 168.8 | -62.8 | 94.3 | 0 | 0 | 0 | 109.7 | M231 R233 | M231-W238 HydrophobicContact CB-CE3 4.19Å; M231-W238 HydrophobicContact CE-CB 3.8Å; M231-W238 HydrophobicContact CE-CG 4.26Å; M231-W238 HydrophobicContact SD-CB 4.35Å; R233-W238 HydrophobicContact CB-CD2 4.39Å; R233-W238 HydrophobicContact CB-CE3 3.91Å; R233-W238 HydrophobicContact CB-CH2 4.1Å; R233-W238 HydrophobicContact CB-CZ3 3.76Å; R233-W238 HydrophobicContact CG-CD2 4.31Å; R233-W238 HydrophobicContact CG-CE3 4.33Å; R233-W238 HydrophobicContact CG-CH2 4.3Å; R233-W238 HydrophobicContact CG-CZ2 4.26Å; R233-W238 HydrophobicContact CG-CZ3 4.33Å |
| 239 | K | 63.2 | Low | 58.2 | Low | 120 Ų | 120 | 113.8 Ų | 113.8 | 52% | 0.522 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.2 | 141.8 | 170.3 | -70.5 | -172.5 | 179 | 177.6 | 0 | 109.6 | Q232 I234 | Q232-K239 PolarHBondContact N-O 2.97Å; Q232-K239 PolarHBondContact O-N 3.15Å; I234-K239 HydrophobicContact CD1-CB 4.48Å; I234-K239 HydrophobicContact CD1-CD 4.29Å |
| 240 | P | 59.2 | Low | 58.4 | Low | 99 Ų | 99 | 114.2 Ų | 114.2 | 64% | 0.643 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -62.5 | 140.5 | 172.7 | 27.8 | -34.2 | 0 | 0 | 0 | 109.7 | I230 | I230-P240 CarbonylContact O-C 3.52Å; I230-P240 WeakPolarHBondContact O-CA 3.42Å |
| 241 | T | 59.4 | Low | 58.7 | Low | 48 Ų | 48 | 113.4 Ų | 113.4 | 29% | 0.294 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -67.4 | 129.5 | 168.1 | 47.6 | 0 | 0 | 0 | 0 | 108.4 | V229 I230 Q232 A243 | V229-T241 PolarHBondContact O-OG1 3Å; I230-T241 VanDerWaalsContact C-OG1 3.26Å; I230-T241 WeakPolarHBondContact CA-OG1 3.35Å; I230-T241 PolarHBondContact O-N 3.03Å; I230-T241 PolarHBondContact O-OG1 3.07Å; Q232-T241 HydrophobicContact CB-CG2 3.89Å; T241-A243 PolarHBondContact O-N 3.39Å |
| 242 | P | 63.1 | Low | 59.1 | Low | 93 Ų | 93 | 117 Ų | 117 | 60% | 0.604 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 126.9 | 176.1 | 28 | -33.1 | 0 | 0 | 0 | 109.1 | V244 | P242-V244 PolarHBondContact O-N 3.09Š|
| 243 | A | 62.3 | Low | 59.2 | Low | 111 Ų | 111 | 118 Ų | 118 | 92% | 0.917 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -60.7 | -18.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | T241 | T241-A243 PolarHBondContact O-N 3.39Š|
| 244 | V | 55.5 | Low | 59.6 | Low | 105 Ų | 105 | 116.6 Ų | 116.6 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -125.9 | 126.8 | 171.6 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | P242 L246 | P242-V244 PolarHBondContact O-N 3.09Å; V244-L246 VanDerWaalsContact C-N 3.34Å; V244-L246 PolarHBondContact O-N 2.94Å |
| 245 | Y | 58 | Low | 59.6 | Low | 216 Ų | 216 | 117.8 Ų | 117.8 | 85% | 0.847 | 63% | 0.63 | S | S | * | * | | | trans | -73.4 | 87.8 | 178.2 | -152.6 | -82.4 | 0 | 0 | 0 | 110 | | |
| 246 | L | 63.3 | Low | 59.4 | Low | 137 Ų | 137 | 122.1 Ų | 122.1 | 72% | 0.717 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 127 | 169.7 | -66.7 | 175.7 | 0 | 0 | 0 | 108.5 | V244 | V244-L246 VanDerWaalsContact C-N 3.34Å; V244-L246 PolarHBondContact O-N 2.94Å |
| 247 | P | 64.2 | Low | 59.6 | Low | 110 Ų | 110 | 121.1 Ų | 121.1 | 71% | 0.714 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 144.4 | 170.8 | -24.1 | 33.7 | 0 | 0 | 0 | 110.4 | D249 | P247-D249 PolarHBondContact O-N 2.81Š|
| 248 | E | 65.9 | Low | 60 | Low | 138 Ų | 138 | 119 Ų | 119 | 65% | 0.645 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 116.1 | 170.5 | -71.7 | -163.1 | 165.3 | 0 | 0 | 109 | P250 H253 | E248-P250 WeakPolarHBondContact O-CD 3.33Å; E248-P250 VanDerWaalsContact O-N 3.13Å; E248-H253 IonicContact OE2-CD2 3Å; E248-H253 IonicContact OE2-CE1 3.93Å; E248-H253 IonicContact OE2-NE2 3.59Å; E248-H253 PolarHBondContact OE2-NE2 2.89Å |
| 249 | D | 66.4 | Low | 59.9 | Low | 78 Ų | 78 | 116 Ų | 116 | 42% | 0.417 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -53.5 | 116.7 | 175.6 | -176.8 | -19.8 | 0 | 0 | 0 | 109.2 | P247 S251 K252 | P247-D249 PolarHBondContact O-N 2.81Å; D249-S251 PolarHBondContact O-N 3.25Å; D249-S251 VanDerWaalsContact O-N 3.11Å; D249-S251 WeakPolarHBondContact OD1-CB 3.44Å; D249-S251 PolarHBondContact OD1-N 3.35Å; D249-S251 PolarHBondContact OD1-OG 3.21Å; D249-S251 PolarHBondContact OD2-OG 3.05Å; D249-K252 HydrophobicContact CB-CD 4.21Å; D249-K252 HydrophobicContact CB-CG 4.21Å; D249-K252 WeakPolarHBondContact O-CB 3.44Å; D249-K252 PolarHBondContact O-N 2.95Å |
| 250 | P | 64.5 | Low | 59.6 | Low | 97 Ų | 97 | 114 Ų | 114 | 63% | 0.63 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -60.6 | -25.1 | -174.5 | 24.1 | -33.7 | 0 | 0 | 0 | 112.2 | E248 K252 H253 E254 | E248-P250 WeakPolarHBondContact O-CD 3.33Å; E248-P250 VanDerWaalsContact O-N 3.13Å; P250-K252 PolarHBondContact O-N 3.2Å; P250-H253 PolarHBondContact O-N 3.29Å; P250-E254 PolarHBondContact O-N 3.48Å; P250-E254 VanDerWaalsContact O-N 3.15Å |
| 251 | S | 64.7 | Low | 59.4 | Low | 57 Ų | 57 | 114.6 Ų | 114.6 | 40% | 0.399 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -64.5 | -17.4 | 175.8 | 70.2 | 0 | 0 | 0 | 0 | 113.9 | D249 H253 E254 | D249-S251 PolarHBondContact O-N 3.25Å; D249-S251 VanDerWaalsContact O-N 3.11Å; D249-S251 WeakPolarHBondContact OD1-CB 3.44Å; D249-S251 PolarHBondContact OD1-N 3.35Å; D249-S251 PolarHBondContact OD1-OG 3.21Å; D249-S251 PolarHBondContact OD2-OG 3.05Å; S251-H253 VanDerWaalsContact C-N 3.27Å; S251-H253 PolarHBondContact O-N 3.01Å; S251-E254 PolarHBondContact O-N 3.47Å |
| 252 | K | 63.9 | Low | 59 | Low | 154 Ų | 154 | 119.2 Ų | 119.2 | 67% | 0.67 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -69.5 | -26.3 | 171.6 | -66.5 | 174.6 | -179.9 | 174 | 0 | 112.9 | D249 P250 | D249-K252 HydrophobicContact CB-CD 4.21Å; D249-K252 HydrophobicContact CB-CG 4.21Å; D249-K252 WeakPolarHBondContact O-CB 3.44Å; D249-K252 PolarHBondContact O-N 2.95Å; P250-K252 PolarHBondContact O-N 3.2Å |
| 253 | H | 58.4 | Low | 58.6 | Low | 134 Ų | 134 | 122 Ų | 122 | 62% | 0.62 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -10.7 | 177.3 | -61 | -64.8 | 0 | 0 | 0 | 112.1 | E248 P250 S251 | E248-H253 IonicContact OE2-CD2 3Å; E248-H253 IonicContact OE2-CE1 3.93Å; E248-H253 IonicContact OE2-NE2 3.59Å; E248-H253 PolarHBondContact OE2-NE2 2.89Å; P250-H253 PolarHBondContact O-N 3.29Å; S251-H253 VanDerWaalsContact C-N 3.27Å; S251-H253 PolarHBondContact O-N 3.01Å |
| 254 | E | 55.7 | Low | 58.4 | Low | 128 Ų | 128 | 119.2 Ų | 119.2 | 60% | 0.598 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -64.8 | 129 | 167.4 | -71.8 | -177.9 | 166.4 | 0 | 0 | 109.5 | P250 S251 I256 | P250-E254 PolarHBondContact O-N 3.48Å; P250-E254 VanDerWaalsContact O-N 3.15Å; S251-E254 PolarHBondContact O-N 3.47Å; E254-I256 PolarHBondContact O-N 3.37Å |
| 255 | P | 56.9 | Low | 58.4 | Low | 117 Ų | 117 | 119.6 Ų | 119.6 | 76% | 0.76 | 62% | 0.619 | S | S | * | * | | | trans | -65.3 | 109.9 | 177 | 26.9 | -32.8 | 0 | 0 | 0 | 108.4 | E257 | P255-E257 PolarHBondContact O-N 3.13Š|
| 256 | I | 60.7 | Low | 58.1 | Low | 147 Ų | 147 | 114.8 Ų | 114.8 | 75% | 0.754 | 60% | 0.603 | S | S | * | * | | | trans | -45.1 | 119.7 | 176.1 | -58.7 | 172 | 0 | 0 | 0 | 108.4 | E254 S258 | E254-I256 PolarHBondContact O-N 3.37Å; I256-S258 PolarHBondContact O-N 3.02Å; I256-S258 PolarHBondContact O-OG 3.35Å |
| 257 | E | 52.2 | Low | 57.6 | Low | 192 Ų | 192 | 112.5 Ų | 112.5 | 90% | 0.897 | 60% | 0.595 | S | S | * | * | | | trans | -68.8 | 43.1 | -179.6 | -64.8 | -165.6 | 147.7 | 0 | 0 | 113 | P255 C259 | P255-E257 PolarHBondContact O-N 3.13Å; E257-C259 PolarHBondContact O-N 3.38Å |
| 258 | S | 50.6 | Low | 56.7 | Low | 67 Ų | 67 | 112 Ų | 112 | 47% | 0.469 | 59% | 0.586 | S | S | . | * | | | trans | -72.5 | 36.1 | 167.4 | 61.7 | 0 | 0 | 0 | 0 | 112.3 | I256 T260 | I256-S258 PolarHBondContact O-N 3.02Å; I256-S258 PolarHBondContact O-OG 3.35Å; S258-T260 PolarHBondContact O-N 3.47Å |
| 259 | C | 50.2 | Low | 55.8 | Low | 89 Ų | 89 | 112.5 Ų | 112.5 | 60% | 0.601 | 59% | 0.586 | S | S | * | * | | | trans | -69.3 | 81.1 | 160.8 | -90.3 | 0 | 0 | 0 | 0 | 108.4 | E257 | E257-C259 PolarHBondContact O-N 3.38Š|
| 260 | T | 56.3 | Low | 55 | Low | 78 Ų | 78 | 111.1 Ų | 111.1 | 48% | 0.479 | 58% | 0.583 | S | S | . | * | | | trans | -53.1 | 145.2 | 162 | 61.9 | 0 | 0 | 0 | 0 | 108.7 | S258 Y262 R263 S264 | S258-T260 PolarHBondContact O-N 3.47Å; T260-Y262 CarbonylContact O-C 3.46Å; T260-Y262 PolarHBondContact O-N 3.17Å; T260-R263 WeakPolarHBondContact O-CA 3.48Å; T260-R263 PolarHBondContact O-N 2.88Å; T260-R263 PolarHBondContact OG1-N 3.31Å; T260-S264 PolarHBondContact O-N 3.37Å |
| 261 | V | 55 | Low | 54.4 | Low | 110 Ų | 110 | 112.1 Ų | 112.1 | 67% | 0.667 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -54.1 | -27.2 | 178.8 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | S264 N265 | V261-S264 WeakPolarHBondContact CA-OG 3.44Å; V261-S264 PolarHBondContact O-OG 2.71Å; V261-N265 WeakPolarHBondContact O-CB 3.1Å; V261-N265 PolarHBondContact O-N 2.85Å; V261-N265 PolarHBondContact O-ND2 2.74Å; V261-N265 PolarHBondContact O-OD1 3.32Å |
| 262 | Y | 52.4 | Low | 53.8 | Low | 145 Ų | 145 | 116.9 Ų | 116.9 | 57% | 0.569 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.9 | -55.1 | 169.2 | -171.5 | -94.2 | 0 | 0 | 0 | 112.2 | T260 S264 N265 F266 | T260-Y262 CarbonylContact O-C 3.46Å; T260-Y262 PolarHBondContact O-N 3.17Å; Y262-S264 PolarHBondContact O-N 2.87Å; Y262-N265 PolarHBondContact O-N 2.69Å; Y262-F266 HydrophobicContact CD1-CD2 4.21Å; Y262-F266 HydrophobicContact CD2-CD2 4.11Å; Y262-F266 AromaticContact CD2-CE2 3.82Å; Y262-F266 HydrophobicContact CD2-CE2 3.82Å; Y262-F266 HydrophobicContact CE1-CD2 4.04Å; Y262-F266 HydrophobicContact CE1-CE2 4.43Å; Y262-F266 AromaticContact CE2-CD2 3.94Å; Y262-F266 HydrophobicContact CE2-CD2 3.94Å; Y262-F266 AromaticContact CE2-CE2 3.5Å; Y262-F266 HydrophobicContact CE2-CE2 3.5Å; Y262-F266 HydrophobicContact CE2-CZ 4.48Å; Y262-F266 HydrophobicContact CG-CD2 4.24Å; Y262-F266 HydrophobicContact CG-CE2 4.41Å; Y262-F266 AromaticContact CZ-CD2 3.9Å; Y262-F266 AromaticContact CZ-CE2 3.84Å; Y262-F266 VanDerWaalsContact O-CD2 3.24Å; Y262-F266 WeakPolarHBondContact O-CD2 3.33Å; Y262-F266 PolarHBondContact O-N 3.02Å |
| 263 | R | 52.9 | Low | 53.2 | Low | 151 Ų | 151 | 115.9 Ų | 115.9 | 57% | 0.57 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -59.7 | -45.1 | 179 | -85.5 | -177.9 | 166.6 | 162.1 | -3.9 | 112.4 | T260 N265 F266 T267 | T260-R263 WeakPolarHBondContact O-CA 3.48Å; T260-R263 PolarHBondContact O-N 2.88Å; T260-R263 PolarHBondContact OG1-N 3.31Å; R263-N265 PolarHBondContact O-N 3.02Å; R263-F266 PolarHBondContact O-N 2.84Å; R263-F266 VanDerWaalsContact O-N 3.14Å; R263-T267 WeakPolarHBondContact O-CB 3.43Å; R263-T267 VanDerWaalsContact O-CG2 3.32Å; R263-T267 WeakPolarHBondContact O-CG2 3.33Å; R263-T267 PolarHBondContact O-N 3.26Å; R263-T267 PolarHBondContact O-OG1 2.64Å |
| 264 | S | 58.6 | Low | 52.9 | Low | 54 Ų | 54 | 112.3 Ų | 112.3 | 38% | 0.378 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58.8 | -33.3 | 179.5 | 59.6 | 0 | 0 | 0 | 0 | 113.4 | T260 V261 Y262 T267 | T260-S264 PolarHBondContact O-N 3.37Å; V261-S264 WeakPolarHBondContact CA-OG 3.44Å; V261-S264 PolarHBondContact O-OG 2.71Å; Y262-S264 PolarHBondContact O-N 2.87Å; S264-T267 PolarHBondContact O-OG1 3.38Å |
| 265 | N | 55.5 | Low | 52.8 | Low | 112 Ų | 112 | 111.4 Ų | 111.4 | 60% | 0.599 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -82.4 | -16.5 | -177.8 | -66.9 | -4.5 | 0 | 0 | 0 | 113.6 | V261 Y262 R263 | V261-N265 WeakPolarHBondContact O-CB 3.1Å; V261-N265 PolarHBondContact O-N 2.85Å; V261-N265 PolarHBondContact O-ND2 2.74Å; V261-N265 PolarHBondContact O-OD1 3.32Å; Y262-N265 PolarHBondContact O-N 2.69Å; R263-N265 PolarHBondContact O-N 3.02Å |
| 266 | F | 52.4 | Low | 52.9 | Low | 116 Ų | 116 | 109.5 Ų | 109.5 | 51% | 0.509 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -112.5 | -10 | -179.9 | -69.6 | -69.7 | 0 | 0 | 0 | 114.1 | Y262 R263 D268 | Y262-F266 HydrophobicContact CD1-CD2 4.21Å; Y262-F266 HydrophobicContact CD2-CD2 4.11Å; Y262-F266 AromaticContact CD2-CE2 3.82Å; Y262-F266 HydrophobicContact CD2-CE2 3.82Å; Y262-F266 HydrophobicContact CE1-CD2 4.04Å; Y262-F266 HydrophobicContact CE1-CE2 4.43Å; Y262-F266 AromaticContact CE2-CD2 3.94Å; Y262-F266 HydrophobicContact CE2-CD2 3.94Å; Y262-F266 AromaticContact CE2-CE2 3.5Å; Y262-F266 HydrophobicContact CE2-CE2 3.5Å; Y262-F266 HydrophobicContact CE2-CZ 4.48Å; Y262-F266 HydrophobicContact CG-CD2 4.24Å; Y262-F266 HydrophobicContact CG-CE2 4.41Å; Y262-F266 AromaticContact CZ-CD2 3.9Å; Y262-F266 AromaticContact CZ-CE2 3.84Å; Y262-F266 VanDerWaalsContact O-CD2 3.24Å; Y262-F266 WeakPolarHBondContact O-CD2 3.33Å; Y262-F266 PolarHBondContact O-N 3.02Å; R263-F266 PolarHBondContact O-N 2.84Å; R263-F266 VanDerWaalsContact O-N 3.14Å; F266-D268 VanDerWaalsContact C-N 3.3Å; F266-D268 PolarHBondContact O-N 3.34Å |
| 267 | T | 52.8 | Low | 52.6 | Low | 89 Ų | 89 | 113 Ų | 113 | 55% | 0.546 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.9 | -12.9 | 177.3 | 39 | 0 | 0 | 0 | 0 | 115.2 | R263 S264 F269 S270 | R263-T267 WeakPolarHBondContact O-CB 3.43Å; R263-T267 VanDerWaalsContact O-CG2 3.32Å; R263-T267 WeakPolarHBondContact O-CG2 3.33Å; R263-T267 PolarHBondContact O-N 3.26Å; R263-T267 PolarHBondContact O-OG1 2.64Å; S264-T267 PolarHBondContact O-OG1 3.38Å; T267-F269 PolarHBondContact O-N 2.78Å; T267-F269 VanDerWaalsContact O-N 3.11Å; T267-S270 PolarHBondContact O-N 3.34Å |
| 268 | D | 44.3 | Very low | 52.8 | Low | 100 Ų | 100 | 106.3 Ų | 106.3 | 54% | 0.535 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 0.7 | 179.3 | -147.9 | 1.8 | 0 | 0 | 0 | 113.5 | F266 S270 R273 | F266-D268 VanDerWaalsContact C-N 3.3Å; F266-D268 PolarHBondContact O-N 3.34Å; D268-S270 PolarHBondContact O-N 3.45Å; D268-R273 IonicContact OD1-CZ 2.8Å; D268-R273 IonicContact OD1-NE 3.57Å; D268-R273 IonicContact OD1-NH1 2.87Å; D268-R273 PolarHBondContact OD1-NH1 3.43Å; D268-R273 IonicContact OD2-NH1 3.94Å; D268-R273 PolarHBondContact OD2-NH1 3.37Å |
| 269 | F | 47.5 | Very low | 52.9 | Low | 147 Ų | 147 | 110.2 Ų | 110.2 | 65% | 0.645 | 54% | 0.54 | S | S | * | . | | | trans | -85.2 | 47.2 | 161.9 | -69.2 | -70 | 0 | 0 | 0 | 112.2 | T267 K271 I274 | T267-F269 PolarHBondContact O-N 2.78Å; T267-F269 VanDerWaalsContact O-N 3.11Å; F269-K271 PolarHBondContact O-N 2.79Å; F269-I274 HydrophobicContact CB-CD1 4.29Å; F269-I274 HydrophobicContact CD1-CD1 3.98Å; F269-I274 HydrophobicContact CD1-CG1 4.26Å |
| 270 | S | 49.1 | Very low | 53.2 | Low | 49 Ų | 49 | 111.3 Ų | 111.3 | 34% | 0.343 | 55% | 0.546 | S | S | . | . | | | trans | -55.9 | 135 | 167.3 | 75.9 | 0 | 0 | 0 | 0 | 109 | T267 D268 E272 R273 | T267-S270 PolarHBondContact O-N 3.34Å; D268-S270 PolarHBondContact O-N 3.45Å; S270-E272 PolarHBondContact O-N 3.41Å; S270-R273 PolarHBondContact O-N 3.27Å; S270-R273 PolarHBondContact OG-N 3.4Å |
| 271 | K | 52.2 | Low | 53.2 | Low | 118 Ų | 118 | 111.6 Ų | 111.6 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -54.9 | -21.3 | -177.8 | -71.4 | -177.3 | 174 | -177.6 | 0 | 111.4 | F269 K275 D292 | F269-K271 PolarHBondContact O-N 2.79Å; K271-K275 WeakPolarHBondContact O-CB 3.39Å; K271-K275 VanDerWaalsContact O-CG 3.23Å; K271-K275 WeakPolarHBondContact O-CG 3.41Å; K271-K275 PolarHBondContact O-N 3.4Å; K271-D292 IonicContact NZ-OD1 2.81Å; K271-D292 PolarHBondContact NZ-OD1 3.34Å |
| 272 | E | 51.9 | Low | 53.2 | Low | 157 Ų | 157 | 111.2 Ų | 111.2 | 73% | 0.734 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -73.8 | -46.3 | 174.5 | -59.2 | -172.8 | 145.5 | 0 | 0 | 114.6 | S270 I274 K275 A276 | S270-E272 PolarHBondContact O-N 3.41Å; E272-I274 VanDerWaalsContact C-N 3.29Å; E272-I274 PolarHBondContact O-N 3.23Å; E272-K275 PolarHBondContact O-N 3.37Å; E272-A276 WeakPolarHBondContact O-CB 3.35Å; E272-A276 PolarHBondContact O-N 3.26Å |
| 273 | R | 51.1 | Low | 53.4 | Low | 133 Ų | 133 | 109.6 Ų | 109.6 | 50% | 0.502 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.9 | -34.5 | 179.6 | -98.1 | -177 | 168.3 | -170.9 | -3.4 | 112.3 | D268 S270 R277 | D268-R273 IonicContact OD1-CZ 2.8Å; D268-R273 IonicContact OD1-NE 3.57Å; D268-R273 IonicContact OD1-NH1 2.87Å; D268-R273 PolarHBondContact OD1-NH1 3.43Å; D268-R273 IonicContact OD2-NH1 3.94Å; D268-R273 PolarHBondContact OD2-NH1 3.37Å; S270-R273 PolarHBondContact O-N 3.27Å; S270-R273 PolarHBondContact OG-N 3.4Å; R273-R277 PolarHBondContact O-N 3.48Å |
| 274 | I | 53.2 | Low | 53.3 | Low | 60 Ų | 60 | 106.7 Ų | 106.7 | 31% | 0.308 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.3 | -49.4 | 173.1 | -59.6 | 171.4 | 0 | 0 | 0 | 110.2 | F269 E272 A276 R277 M278 | F269-I274 HydrophobicContact CB-CD1 4.29Å; F269-I274 HydrophobicContact CD1-CD1 3.98Å; F269-I274 HydrophobicContact CD1-CG1 4.26Å; E272-I274 VanDerWaalsContact C-N 3.29Å; E272-I274 PolarHBondContact O-N 3.23Å; I274-A276 VanDerWaalsContact C-N 3.28Å; I274-A276 PolarHBondContact O-N 2.7Å; I274-R277 PolarHBondContact O-N 3.19Å; I274-R277 VanDerWaalsContact O-N 3.14Å; I274-M278 HydrophobicContact CG2-CE 4.47Å; I274-M278 PolarHBondContact O-N 3.33Å |
| 275 | K | 54.1 | Low | 52.8 | Low | 108 Ų | 108 | 109.4 Ų | 109.4 | 47% | 0.47 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59 | -36.4 | 176.7 | -79.6 | 177.4 | 177.2 | -174.4 | 0 | 112.5 | K271 E272 R277 M278 K283 | K271-K275 WeakPolarHBondContact O-CB 3.39Å; K271-K275 VanDerWaalsContact O-CG 3.23Å; K271-K275 WeakPolarHBondContact O-CG 3.41Å; K271-K275 PolarHBondContact O-N 3.4Å; E272-K275 PolarHBondContact O-N 3.37Å; K275-R277 VanDerWaalsContact C-N 3.29Å; K275-R277 PolarHBondContact O-N 3.04Å; K275-M278 PolarHBondContact O-N 2.91Å; K275-K283 WeakPolarHBondContact O-CE 3.43Å; K275-K283 PolarHBondContact O-NZ 2.95Å |
| 276 | A | 57.5 | Low | 52.2 | Low | 78 Ų | 78 | 108.3 Ų | 108.3 | 65% | 0.645 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.8 | -30.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E272 I274 | E272-A276 WeakPolarHBondContact O-CB 3.35Å; E272-A276 PolarHBondContact O-N 3.26Å; I274-A276 VanDerWaalsContact C-N 3.28Å; I274-A276 PolarHBondContact O-N 2.7Å |
| 277 | R | 54.8 | Low | 52 | Low | 220 Ų | 220 | 105.9 Ų | 105.9 | 83% | 0.83 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -88.7 | -8.8 | -179.6 | -69.3 | -179 | 177 | 179.9 | 0.7 | 114.6 | R273 I274 K275 | R273-R277 PolarHBondContact O-N 3.48Å; I274-R277 PolarHBondContact O-N 3.19Å; I274-R277 VanDerWaalsContact O-N 3.14Å; K275-R277 VanDerWaalsContact C-N 3.29Å; K275-R277 PolarHBondContact O-N 3.04Å |
| 278 | M | 55.6 | Low | 51.7 | Low | 52 Ų | 52 | 105 Ų | 105 | 26% | 0.256 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -79.1 | 134.5 | 179.7 | -77.2 | -170.4 | 154.7 | 0 | 0 | 112.5 | I274 K275 Q282 K283 Y286 | I274-M278 HydrophobicContact CG2-CE 4.47Å; I274-M278 PolarHBondContact O-N 3.33Å; K275-M278 PolarHBondContact O-N 2.91Å; M278-Q282 HydrophobicContact CB-CB 4.19Å; M278-Q282 HydrophobicContact CG-CB 4.43Å; M278-Q282 HydrophobicContact SD-CB 4.37Å; M278-K283 HydrophobicContact CB-CG 4.09Å; M278-Y286 HydrophobicContact CE-CD2 3.88Å; M278-Y286 HydrophobicContact CE-CE2 3.63Å; M278-Y286 HydrophobicContact SD-CD2 3.58Å; M278-Y286 VanDerWaalsContact SD-CD2 3.58Å; M278-Y286 HydrophobicContact SD-CE2 3.73Å |
| 279 | K | 54.7 | Low | 51.7 | Low | 148 Ų | 148 | 105.2 Ų | 105.2 | 64% | 0.643 | 55% | 0.551 | S | S | * | * | | | trans | -59.2 | 149.3 | 170.9 | -68.4 | -174.7 | 177.9 | -177 | 0 | 109.7 | S281 Q282 K283 | K279-S281 PolarHBondContact O-N 2.91Å; K279-S281 VanDerWaalsContact O-N 3.12Å; K279-Q282 WeakPolarHBondContact O-CB 3.42Å; K279-Q282 PolarHBondContact O-N 3.08Å; K279-K283 PolarHBondContact O-N 3.47Å |
| 280 | P | 55.4 | Low | 51.8 | Low | 112 Ų | 112 | 106.5 Ų | 106.5 | 73% | 0.727 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -51.7 | -39.9 | -176.7 | -29.5 | 36 | 0 | 0 | 0 | 114.3 | Q282 K283 A284 | P280-Q282 VanDerWaalsContact C-N 3.27Å; P280-Q282 PolarHBondContact O-N 3.4Å; P280-K283 PolarHBondContact O-N 2.9Å; P280-A284 PolarHBondContact O-N 2.9Å |
| 281 | S | 56.3 | Low | 51.7 | Low | 85 Ų | 85 | 105.4 Ų | 105.4 | 59% | 0.594 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.7 | -26.5 | 175.9 | 52.2 | 0 | 0 | 0 | 0 | 114.6 | K279 | K279-S281 PolarHBondContact O-N 2.91Å; K279-S281 VanDerWaalsContact O-N 3.12Å |
| 282 | Q | 55.3 | Low | 51.4 | Low | 101 Ų | 101 | 105.2 Ų | 105.2 | 47% | 0.472 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -84.1 | -22.8 | 177.7 | -66.4 | 173.5 | -27.7 | 0 | 0 | 112.5 | M278 K279 P280 | M278-Q282 HydrophobicContact CB-CB 4.19Å; M278-Q282 HydrophobicContact CG-CB 4.43Å; M278-Q282 HydrophobicContact SD-CB 4.37Å; K279-Q282 WeakPolarHBondContact O-CB 3.42Å; K279-Q282 PolarHBondContact O-N 3.08Å; P280-Q282 VanDerWaalsContact C-N 3.27Å; P280-Q282 PolarHBondContact O-N 3.4Å |
| 283 | K | 56.9 | Low | 51 | Low | 111 Ų | 111 | 104.6 Ų | 104.6 | 48% | 0.483 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -70.3 | -37.3 | 174.2 | -68.2 | -179.8 | 174.9 | 178.3 | 0 | 111.9 | K275 M278 K279 P280 C285 Y286 | K275-K283 WeakPolarHBondContact O-CE 3.43Å; K275-K283 PolarHBondContact O-NZ 2.95Å; M278-K283 HydrophobicContact CB-CG 4.09Å; K279-K283 PolarHBondContact O-N 3.47Å; P280-K283 PolarHBondContact O-N 2.9Å; K283-C285 VanDerWaalsContact C-N 3.3Å; K283-C285 PolarHBondContact O-N 3.01Å; K283-Y286 WeakPolarHBondContact O-CB 3.19Å; K283-Y286 PolarHBondContact O-N 3.34Å |
| 284 | A | 50.5 | Low | 50.7 | Low | 90 Ų | 90 | 102.8 Ų | 102.8 | 74% | 0.744 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.9 | -32.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P280 | P280-A284 PolarHBondContact O-N 2.9Å |
| 285 | C | 47.8 | Very low | 50.3 | Low | 111 Ų | 111 | 107.8 Ų | 107.8 | 75% | 0.75 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 14.4 | -179.3 | -56.1 | 0 | 0 | 0 | 0 | 114 | K283 S287 | K283-C285 VanDerWaalsContact C-N 3.3Å; K283-C285 PolarHBondContact O-N 3.01Å; C285-S287 PolarHBondContact O-N 2.79Å |
| 286 | Y | 43.6 | Very low | 49.6 | Very low | 90 Ų | 90 | 110.4 Ų | 110.4 | 35% | 0.353 | 60% | 0.595 | S | S | . | * | | | trans | -92.4 | 80.3 | -171.3 | -157.2 | -84.7 | 0 | 0 | 0 | 112.2 | M278 K283 | M278-Y286 HydrophobicContact CE-CD2 3.88Å; M278-Y286 HydrophobicContact CE-CE2 3.63Å; M278-Y286 HydrophobicContact SD-CD2 3.58Å; M278-Y286 VanDerWaalsContact SD-CD2 3.58Å; M278-Y286 HydrophobicContact SD-CE2 3.73Å; K283-Y286 WeakPolarHBondContact O-CB 3.19Å; K283-Y286 PolarHBondContact O-N 3.34Å |
| 287 | S | 48 | Very low | 48.9 | Very low | 65 Ų | 65 | 109 Ų | 109 | 46% | 0.455 | 58% | 0.581 | S | S | . | * | | | trans | -71.1 | 130.9 | 175.3 | 62.1 | 0 | 0 | 0 | 0 | 112 | C285 I289 K290 | C285-S287 PolarHBondContact O-N 2.79Å; S287-I289 PolarHBondContact O-N 3.2Å; S287-I289 VanDerWaalsContact O-N 3.15Å; S287-K290 PolarHBondContact O-N 2.88Å; S287-K290 VanDerWaalsContact O-N 3.14Å |
| 288 | A | 46 | Very low | 48.5 | Very low | 69 Ų | 69 | 109 Ų | 109 | 57% | 0.57 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -57.8 | -32.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K290 A291 | A288-K290 PolarHBondContact O-N 2.82Å; A288-K290 VanDerWaalsContact O-N 3.14Å; A288-A291 WeakPolarHBondContact O-CB 3.49Å; A288-A291 PolarHBondContact O-N 2.8Å |
| 289 | I | 45.5 | Very low | 48.2 | Very low | 105 Ų | 105 | 113.4 Ų | 113.4 | 54% | 0.538 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -58.2 | -28.2 | -179.9 | -58 | 167.1 | 0 | 0 | 0 | 112.6 | S287 A291 W323 | S287-I289 PolarHBondContact O-N 3.2Å; S287-I289 VanDerWaalsContact O-N 3.15Å; I289-A291 VanDerWaalsContact C-N 3.29Å; I289-A291 PolarHBondContact O-N 3.09Å; I289-W323 HydrophobicContact CD1-CH2 4.15Å |
| 290 | K | 48.7 | Very low | 47.7 | Very low | 174 Ų | 174 | 108.9 Ų | 108.9 | 76% | 0.757 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -72.7 | -18.2 | 175.4 | -100 | -178.3 | 177.9 | 173.2 | 0 | 113.7 | S287 A288 | S287-K290 PolarHBondContact O-N 2.88Å; S287-K290 VanDerWaalsContact O-N 3.14Å; A288-K290 PolarHBondContact O-N 2.82Å; A288-K290 VanDerWaalsContact O-N 3.14Å |
| 291 | A | 46.8 | Very low | 47.3 | Very low | 27 Ų | 27 | 113.1 Ų | 113.1 | 22% | 0.223 | 61% | 0.609 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -87.3 | -26.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A288 I289 | A288-A291 WeakPolarHBondContact O-CB 3.49Å; A288-A291 PolarHBondContact O-N 2.8Å; I289-A291 VanDerWaalsContact C-N 3.29Å; I289-A291 PolarHBondContact O-N 3.09Å |
| 292 | D | 46.9 | Very low | 46.9 | Very low | 113 Ų | 113 | 116.3 Ų | 116.3 | 60% | 0.604 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -96.8 | 6.8 | -169.8 | -60.7 | -24 | 0 | 0 | 0 | 113.7 | K271 | K271-D292 IonicContact NZ-OD1 2.81Å; K271-D292 PolarHBondContact NZ-OD1 3.34Å |
| 293 | K | 43.6 | Very low | 46.4 | Very low | 144 Ų | 144 | 118.8 Ų | 118.8 | 63% | 0.626 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -98.8 | 31.8 | 178.8 | -79.2 | -166.4 | 172 | -174.8 | 0 | 115.2 | I305 | K293-I305 HydrophobicContact CD-CD1 4.19Š|
| 294 | L | 44.5 | Very low | 45.9 | Very low | 95 Ų | 95 | 124.7 Ų | 124.7 | 50% | 0.497 | 65% | 0.645 | S | S | . | * | | | trans | -131.2 | 37.6 | -177 | -72.8 | 178.2 | 0 | 0 | 0 | 114.9 | Q302 | L294-Q302 HydrophobicContact CD1-CG 4.44Å; L294-Q302 VanDerWaalsContact CD1-NE2 3.33Å; L294-Q302 HydrophobicContact CD2-CG 3.68Å |
| 295 | L | 44.3 | Very low | 45.9 | Very low | 166 Ų | 166 | 124.9 Ų | 124.9 | 87% | 0.869 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -124.1 | 2.4 | 171.3 | -76.4 | 170.7 | 0 | 0 | 0 | 114.8 | | |
| 296 | N | 39.4 | Very low | 45.6 | Very low | 162 Ų | 162 | 122.8 Ų | 122.8 | 87% | 0.866 | 62% | 0.618 | S | S | * | * | | | trans | -103.5 | 69.2 | 176 | -76.9 | 4.8 | 0 | 0 | 0 | 112 | | |
| 297 | S | 43.2 | Very low | 45.8 | Very low | 49 Ų | 49 | 124.9 Ų | 124.9 | 34% | 0.343 | 64% | 0.64 | S | S | . | * | | | trans | -151 | 121.9 | 154 | 62.7 | 0 | 0 | 0 | 0 | 109.4 | D299 G300 R301 | S297-D299 PolarHBondContact O-N 3.29Å; S297-G300 PolarHBondContact O-N 3.11Å; S297-R301 PolarHBondContact OG-O 3.3Å |
| 298 | F | 46 | Very low | 45.6 | Very low | 221 Ų | 221 | 127.5 Ų | 127.5 | 97% | 0.969 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -16.5 | -175.6 | -147.6 | -101.4 | 0 | 0 | 0 | 112.4 | | |
| 299 | D | 50 | Low | 45.4 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 77% | 0.77 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 7.7 | -177.5 | -61.9 | -27.9 | 0 | 0 | 0 | 114.1 | S297 R301 | S297-D299 PolarHBondContact O-N 3.29Å; D299-R301 PolarHBondContact O-N 2.99Å; D299-R301 VanDerWaalsContact O-N 3.11Å |
| 300 | G | 44 | Very low | 44.9 | Very low | 52 Ų | 52 | 134 Ų | 134 | 54% | 0.536 | 67% | 0.667 | S | S | . | * | | | trans | 66.2 | 12.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | S297 | S297-G300 PolarHBondContact O-N 3.11Š|
| 301 | R | 45.4 | Very low | 44.3 | Very low | 202 Ų | 202 | 136.1 Ų | 136.1 | 76% | 0.762 | 67% | 0.67 | S | S | * | * | | | trans | -86 | 123.8 | 173.8 | -70.9 | -173.2 | 175.8 | -169 | 0.2 | 110.3 | S297 D299 E303 | S297-R301 PolarHBondContact OG-O 3.3Å; D299-R301 PolarHBondContact O-N 2.99Å; D299-R301 VanDerWaalsContact O-N 3.11Å; R301-E303 PolarHBondContact O-N 3.1Å |
| 302 | Q | 49.4 | Very low | 43.6 | Very low | 151 Ų | 151 | 143.3 Ų | 143.3 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | | | trans | -72 | 88 | 179.1 | -162.3 | -178.1 | 26.2 | 0 | 0 | 110.8 | L294 R304 | L294-Q302 HydrophobicContact CD1-CG 4.44Å; L294-Q302 VanDerWaalsContact CD1-NE2 3.33Å; L294-Q302 HydrophobicContact CD2-CG 3.68Å; Q302-R304 PolarHBondContact O-N 3.26Å |
| 303 | E | 43.8 | Very low | 42.8 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 119 | 174.2 | -66.7 | -161.7 | 159.1 | 0 | 0 | 110.4 | R301 | R301-E303 PolarHBondContact O-N 3.1Š|
| 304 | R | 47 | Very low | 42.4 | Very low | 235 Ų | 235 | 144.1 Ų | 144.1 | 89% | 0.887 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 133 | 166.8 | -72.1 | -177.2 | 175.2 | -178.6 | -0.9 | 108 | Q302 | Q302-R304 PolarHBondContact O-N 3.26Š|
| 305 | I | 49.7 | Very low | 42 | Very low | 93 Ų | 93 | 146.7 Ų | 146.7 | 48% | 0.477 | 73% | 0.727 | S | S | . | * | P | Polyproline II helix | trans | -50.4 | 126.2 | 169.2 | -58.9 | 171.9 | 0 | 0 | 0 | 108 | K293 T307 | K293-I305 HydrophobicContact CD-CD1 4.19Å; I305-T307 PolarHBondContact O-N 2.76Å |
| 306 | P | 42.6 | Very low | 41.5 | Very low | 68 Ų | 68 | 141.4 Ų | 141.4 | 44% | 0.442 | 71% | 0.713 | S | S | . | * | P | Polyproline II helix | trans | -56 | 124.2 | 176.9 | -25.3 | 33.5 | 0 | 0 | 0 | 110.3 | T308 L309 | P306-T308 PolarHBondContact O-N 2.74Å; P306-T308 VanDerWaalsContact O-N 3.08Å; P306-L309 HydrophobicContact CB-CD1 4.41Å; P306-L309 HydrophobicContact CB-CG 4.4Å; P306-L309 HydrophobicContact CG-CD1 4.31Å; P306-L309 PolarHBondContact O-N 3.09Å |
| 307 | T | 46.5 | Very low | 41.4 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -63.6 | -13.1 | 177.2 | 46.5 | 0 | 0 | 0 | 0 | 112.7 | I305 | I305-T307 PolarHBondContact O-N 2.76Š|
| 308 | T | 44.4 | Very low | 41 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -85.4 | -2.7 | -178.9 | 52.6 | 0 | 0 | 0 | 0 | 115 | P306 Y310 | P306-T308 PolarHBondContact O-N 2.74Å; P306-T308 VanDerWaalsContact O-N 3.08Å; T308-Y310 VanDerWaalsContact C-N 3.35Å |
| 309 | L | 42.5 | Very low | 40.5 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 69% | 0.686 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -84 | -7 | 176.9 | -76.1 | 172.5 | 0 | 0 | 0 | 114.2 | P306 | P306-L309 HydrophobicContact CB-CD1 4.41Å; P306-L309 HydrophobicContact CB-CG 4.4Å; P306-L309 HydrophobicContact CG-CD1 4.31Å; P306-L309 PolarHBondContact O-N 3.09Å |
| 310 | Y | 34.7 | Very low | 39.9 | Very low | 180 Ų | 180 | 140.1 Ų | 140.1 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -103.7 | 116.9 | 165.3 | -65.5 | -85.3 | 0 | 0 | 0 | 108 | T308 | T308-Y310 VanDerWaalsContact C-N 3.35Š|
| 311 | R | 36.1 | Very low | 39.7 | Very low | 218 Ų | 218 | 144.1 Ų | 144.1 | 82% | 0.823 | 72% | 0.717 | S | S | * | * | | | trans | -62.4 | 139.7 | 162.6 | -84.7 | -176 | 165.6 | 174.2 | -4.5 | 108.4 | S313 | R311-S313 PolarHBondContact O-N 3.24Š|
| 312 | D | 30.9 | Very low | 39.3 | Very low | 177 Ų | 177 | 139.8 Ų | 139.8 | 95% | 0.947 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 33 | 175.8 | -60.7 | -56.6 | 0 | 0 | 0 | 114 | | |
| 313 | S | 31.4 | Very low | 38.9 | Very low | 88 Ų | 88 | 141.5 Ų | 141.5 | 62% | 0.615 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.8 | 13.2 | -169.7 | 67.7 | 0 | 0 | 0 | 0 | 114.3 | R311 | R311-S313 PolarHBondContact O-N 3.24Š|
| 314 | F | 35.2 | Very low | 38.7 | Very low | 187 Ų | 187 | 138.7 Ų | 138.7 | 82% | 0.82 | 71% | 0.707 | S | S | * | * | | | trans | -98.8 | 101.8 | 173.4 | -148 | -91.6 | 0 | 0 | 0 | 111.3 | G316 | F314-G316 PolarHBondContact O-N 2.84Š|
| 315 | I | 36.5 | Very low | 37.9 | Very low | 149 Ų | 149 | 133.5 Ų | 133.5 | 76% | 0.764 | 70% | 0.697 | S | S | * | * | | | trans | -63.7 | 125.3 | 174.7 | -64.7 | 165.7 | 0 | 0 | 0 | 108.5 | L317 | I315-L317 PolarHBondContact O-N 2.85Š|
| 316 | G | 33.5 | Very low | 37.4 | Very low | 55 Ų | 55 | 136.2 Ų | 136.2 | 57% | 0.567 | 70% | 0.701 | S | S | * | * | | | trans | -69.2 | 99.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F314 H318 | F314-G316 PolarHBondContact O-N 2.84Å; G316-H318 VanDerWaalsContact C-N 3.28Å; G316-H318 PolarHBondContact O-CD2 2.93Å; G316-H318 PolarHBondContact O-N 2.83Å |
| 317 | L | 37 | Very low | 36.8 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 72% | 0.723 | 72% | 0.724 | S | S | * | * | | | trans | -71.6 | 88.9 | 161.4 | -77.1 | 171 | 0 | 0 | 0 | 108.9 | I315 V320 | I315-L317 PolarHBondContact O-N 2.85Å; L317-V320 HydrophobicContact CB-CG2 4.43Å |
| 318 | H | 35.6 | Very low | 36.2 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | 139.1 | 164.9 | -74 | -99.1 | 0 | 0 | 0 | 109.7 | G316 | G316-H318 VanDerWaalsContact C-N 3.28Å; G316-H318 PolarHBondContact O-CD2 2.93Å; G316-H318 PolarHBondContact O-N 2.83Å |
| 319 | N | 34.6 | Very low | 35.5 | Very low | 159 Ų | 159 | 145 Ų | 145 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.9 | 17.3 | 173.3 | -47.7 | -17.3 | 0 | 0 | 0 | 119 | | |
| 320 | V | 38.2 | Very low | 34.9 | Very low | 86 Ų | 86 | 148 Ų | 148 | 52% | 0.521 | 74% | 0.736 | S | S | . | * | | | trans | -88.1 | -15.2 | 175 | -172 | 0 | 0 | 0 | 0 | 114.1 | L317 N322 | L317-V320 HydrophobicContact CB-CG2 4.43Å; V320-N322 PolarHBondContact O-N 3.43Å |
| 321 | D | 39.6 | Very low | 34.5 | Very low | 135 Ų | 135 | 147.6 Ų | 147.6 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | | | trans | -90.5 | 18.2 | -171.1 | -86 | -3.6 | 0 | 0 | 0 | 116 | W323 | D321-W323 PolarHBondContact O-N 3.37Å; D321-W323 VanDerWaalsContact O-N 3.08Å |
| 322 | N | 36.3 | Very low | 34.3 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 60% | 0.599 | 75% | 0.746 | S | S | * | * | | | trans | -79.7 | 85.5 | 166.3 | -87.9 | 11.9 | 0 | 0 | 0 | 110.5 | V320 S324 | V320-N322 PolarHBondContact O-N 3.43Å; N322-S324 PolarHBondContact O-N 2.94Å |
| 323 | W | 41.1 | Very low | 34.1 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 71% | 0.705 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -74.3 | -4 | 174.6 | -77.3 | -25 | 0 | 0 | 0 | 114.9 | I289 D321 D325 | I289-W323 HydrophobicContact CD1-CH2 4.15Å; D321-W323 PolarHBondContact O-N 3.37Å; D321-W323 VanDerWaalsContact O-N 3.08Å; W323-D325 VanDerWaalsContact C-N 3.31Å; W323-D325 PolarHBondContact O-N 2.83Å |
| 324 | S | 39.6 | Very low | 34.1 | Very low | 96 Ų | 96 | 141.7 Ų | 141.7 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -66.9 | -28.5 | 177.5 | 50.7 | 0 | 0 | 0 | 0 | 114 | N322 | N322-S324 PolarHBondContact O-N 2.94Š|
| 325 | D | 31 | Very low | 33.9 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -104 | 9.8 | -160.9 | -59.5 | 0.4 | 0 | 0 | 0 | 113.3 | W323 | W323-D325 VanDerWaalsContact C-N 3.31Å; W323-D325 PolarHBondContact O-N 2.83Å |
| 326 | R | 37.3 | Very low | 33.7 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 57% | 0.57 | 76% | 0.759 | S | S | * | * | | | trans | -110 | 94 | 177.4 | -58.8 | -167 | -158.5 | -170.1 | 8.6 | 111.5 | I328 | R326-I328 HydrophobicContact CB-CD1 4.15Å; R326-I328 HydrophobicContact CB-CG1 4.17Å; R326-I328 PolarHBondContact O-N 2.96Å |
| 327 | H | 30 | Very low | 33.8 | Very low | 200 Ų | 200 | 141.4 Ų | 141.4 | 93% | 0.926 | 77% | 0.766 | S | S | * | * | | | trans | -60.7 | 106 | 159.4 | -77.9 | -80 | 0 | 0 | 0 | 109.4 | | |
| 328 | I | 34.3 | Very low | 33.6 | Very low | 137 Ų | 137 | 146.6 Ų | 146.6 | 70% | 0.703 | 78% | 0.776 | S | S | * | * | | | trans | -125 | 126.8 | 172.3 | -61.4 | 178 | 0 | 0 | 0 | 108 | R326 | R326-I328 HydrophobicContact CB-CD1 4.15Å; R326-I328 HydrophobicContact CB-CG1 4.17Å; R326-I328 PolarHBondContact O-N 2.96Å |
| 329 | L | 30.1 | Very low | 33.7 | Very low | 169 Ų | 169 | 145.5 Ų | 145.5 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | | | trans | -60.5 | 136.8 | -176.5 | -72.5 | 150 | 0 | 0 | 0 | 111.4 | N331 | L329-N331 PolarHBondContact O-N 2.85Š|
| 330 | Q | 29.1 | Very low | 33.7 | Very low | 195 Ų | 195 | 140.6 Ų | 140.6 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | | | trans | -67.5 | 129.7 | 168.4 | -69.5 | -177.4 | -16.6 | 0 | 0 | 109.5 | | |
| 331 | N | 27.4 | Very low | 33.6 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | | | trans | -139.9 | 135.8 | 160.2 | -124.4 | -15.4 | 0 | 0 | 0 | 108.8 | L329 | L329-N331 PolarHBondContact O-N 2.85Š|
| 332 | S | 31.4 | Very low | 33.4 | Very low | 117 Ų | 117 | 152.8 Ų | 152.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -119.6 | 112.5 | -162.9 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 333 | S | 27.5 | Very low | 33.7 | Very low | 124 Ų | 124 | 155.8 Ų | 155.8 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | | | trans | -157 | 142.4 | 159.2 | 58.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 334 | S | 30 | Very low | 33.5 | Very low | 118 Ų | 118 | 155.6 Ų | 155.6 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | | | trans | -124 | 104.9 | -177.1 | 59.1 | 0 | 0 | 0 | 0 | 111 | | |
| 335 | V | 31.8 | Very low | 33.5 | Very low | 141 Ų | 141 | 156.5 Ų | 156.5 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | | | trans | -133.4 | 112.9 | 165.7 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | S337 | V335-S337 PolarHBondContact O-N 2.9Š|
| 336 | T | 33.2 | Very low | 34.1 | Very low | 144 Ų | 144 | 155.8 Ų | 155.8 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | trans | -83 | 106.6 | 176.4 | 41.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 337 | S | 34.8 | Very low | 34.3 | Very low | 100 Ų | 100 | 154.1 Ų | 154.1 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 138.3 | 173.6 | 48.9 | 0 | 0 | 0 | 0 | 112.1 | V335 | V335-S337 PolarHBondContact O-N 2.9Š|
| 338 | R | 34 | Very low | 35 | Very low | 248 Ų | 248 | 152 Ų | 152 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 134.9 | 174.7 | -73.9 | 179.5 | 166.5 | -176.3 | -3.2 | 109.7 | | |
| 339 | T | 36.6 | Very low | 35.4 | Very low | 142 Ų | 142 | 153.8 Ų | 153.8 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 126.1 | -176.8 | 48.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 340 | G | 33.9 | Very low | 35.9 | Very low | 57 Ų | 57 | 152.6 Ų | 152.6 | 59% | 0.588 | 79% | 0.785 | S | S | * | * | | | trans | -147.2 | 152.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y342 | G340-Y342 VanDerWaalsContact C-N 3.31Å; G340-Y342 PolarHBondContact O-N 3.06Å |
| 341 | R | 36 | Very low | 36.5 | Very low | 248 Ų | 248 | 151.7 Ų | 151.7 | 94% | 0.936 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 3.5 | -166.7 | -70.3 | -171.7 | 178.8 | -173.9 | 0.4 | 116.5 | | |
| 342 | Y | 36.4 | Very low | 37.1 | Very low | 229 Ų | 229 | 146.7 Ų | 146.7 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.5 | 34.1 | -171.1 | -74.4 | -67.6 | 0 | 0 | 0 | 114.4 | G340 | G340-Y342 VanDerWaalsContact C-N 3.31Å; G340-Y342 PolarHBondContact O-N 3.06Å |
| 343 | Q | 43.4 | Very low | 37.7 | Very low | 174 Ų | 174 | 144.6 Ų | 144.6 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | | | trans | -125.7 | 139.9 | 172 | -84.5 | 174.7 | -60.1 | 0 | 0 | 111.8 | | |
| 344 | Q | 37 | Very low | 38.2 | Very low | 183 Ų | 183 | 145 Ų | 145 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | | | trans | -64.4 | 157.2 | 177.1 | -67 | 159.2 | -49.5 | 0 | 0 | 109.8 | D346 | Q344-D346 PolarHBondContact O-N 3.44Å; Q344-D346 VanDerWaalsContact O-N 3.12Å |
| 345 | N | 39.3 | Very low | 38.8 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 62% | 0.615 | 74% | 0.735 | S | S | * | * | | | trans | -56.7 | 118.9 | 177 | -63.5 | -14.7 | 0 | 0 | 0 | 109.9 | D347 M348 | N345-D347 HydrophobicContact CB-CB 4.22Å; N345-D347 PolarHBondContact O-N 3.39Å; N345-M348 WeakPolarHBondContact O-CB 3.4Å; N345-M348 PolarHBondContact O-N 3.25Å |
| 346 | D | 42 | Very low | 39.3 | Very low | 109 Ų | 109 | 144 Ų | 144 | 58% | 0.583 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -56.5 | -29.3 | 170.3 | -76.3 | -32.9 | 0 | 0 | 0 | 110.8 | Q344 M348 Y349 W350 | Q344-D346 PolarHBondContact O-N 3.44Å; Q344-D346 VanDerWaalsContact O-N 3.12Å; D346-M348 PolarHBondContact O-N 3.31Å; D346-Y349 WeakPolarHBondContact O-CA 3.26Å; D346-Y349 WeakPolarHBondContact O-CB 3.36Å; D346-Y349 PolarHBondContact O-N 3.46Å; D346-W350 PolarHBondContact O-N 3.45Å |
| 347 | D | 42.3 | Very low | 39.7 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 63% | 0.626 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -49.3 | -33.3 | 170.7 | -54.1 | -22.7 | 0 | 0 | 0 | 112.6 | N345 F351 | N345-D347 HydrophobicContact CB-CB 4.22Å; N345-D347 PolarHBondContact O-N 3.39Å; D347-F351 WeakPolarHBondContact O-CB 3.43Å; D347-F351 WeakPolarHBondContact O-CD2 3.47Å; D347-F351 PolarHBondContact O-N 3.34Å |
| 348 | M | 44.2 | Very low | 40 | Very low | 155 Ų | 155 | 146.8 Ų | 146.8 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -82.6 | -22.1 | -179.9 | -136.1 | 165.9 | -163.2 | 0 | 0 | 113.2 | N345 D346 | N345-M348 WeakPolarHBondContact O-CB 3.4Å; N345-M348 PolarHBondContact O-N 3.25Å; D346-M348 PolarHBondContact O-N 3.31Å |
| 349 | Y | 42.1 | Very low | 40.2 | Very low | 174 Ų | 174 | 145.4 Ų | 145.4 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -75.5 | -35.8 | 169.6 | -167.9 | -94.7 | 0 | 0 | 0 | 110.9 | D346 V353 | D346-Y349 WeakPolarHBondContact O-CA 3.26Å; D346-Y349 WeakPolarHBondContact O-CB 3.36Å; D346-Y349 PolarHBondContact O-N 3.46Å; Y349-V353 WeakPolarHBondContact O-CG2 3.47Å |
| 350 | W | 40.9 | Very low | 40.4 | Very low | 144 Ų | 144 | 145.1 Ų | 145.1 | 55% | 0.545 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -83.9 | -19.4 | 177.7 | -66.5 | 105.6 | 0 | 0 | 0 | 114.4 | D346 G352 V353 | D346-W350 PolarHBondContact O-N 3.45Å; W350-G352 PolarHBondContact O-N 2.87Å; W350-V353 HydrophobicContact CE3-CB 4.1Å; W350-V353 HydrophobicContact CE3-CG1 4.24Å; W350-V353 HydrophobicContact CZ3-CB 4.4Å; W350-V353 HydrophobicContact CZ3-CG1 4.03Å; W350-V353 PolarHBondContact O-N 2.82Å |
| 351 | F | 43.3 | Very low | 40.5 | Very low | 176 Ų | 176 | 146.1 Ų | 146.1 | 77% | 0.772 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -3.2 | -178.5 | -130 | -93.3 | 0 | 0 | 0 | 116 | D347 | D347-F351 WeakPolarHBondContact O-CB 3.43Å; D347-F351 WeakPolarHBondContact O-CD2 3.47Å; D347-F351 PolarHBondContact O-N 3.34Å |
| 352 | G | 38.9 | Very low | 40.8 | Very low | 65 Ų | 65 | 144 Ų | 144 | 67% | 0.67 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.7 | 2.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | W350 | W350-G352 PolarHBondContact O-N 2.87Š|
| 353 | V | 44.2 | Very low | 41 | Very low | 73 Ų | 73 | 140.5 Ų | 140.5 | 44% | 0.442 | 70% | 0.698 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.8 | -33.6 | -172.4 | 178.7 | 0 | 0 | 0 | 0 | 112.8 | Y349 W350 | Y349-V353 WeakPolarHBondContact O-CG2 3.47Å; W350-V353 HydrophobicContact CE3-CB 4.1Å; W350-V353 HydrophobicContact CE3-CG1 4.24Å; W350-V353 HydrophobicContact CZ3-CB 4.4Å; W350-V353 HydrophobicContact CZ3-CG1 4.03Å; W350-V353 PolarHBondContact O-N 2.82Å |
| 354 | D | 39 | Very low | 40.8 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -106.1 | 25.1 | -172.1 | -70.9 | -25.3 | 0 | 0 | 0 | 114.6 | | |
| 355 | V | 41.8 | Very low | 40.8 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 70% | 0.703 | 67% | 0.671 | S | S | * | * | | | trans | -105.9 | 7.7 | -178.6 | -153.4 | 0 | 0 | 0 | 0 | 113.5 | P357 | V355-P357 VanDerWaalsContact O-CD 3.29Å; V355-P357 WeakPolarHBondContact O-CD 3.41Å |
| 356 | T | 41.9 | Very low | 40.4 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 76% | 0.755 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -94.3 | 102.3 | 162.8 | 48.2 | 0 | 0 | 0 | 0 | 109.9 | Y358 | T356-Y358 PolarHBondContact O-N 3.23Š|
| 357 | P | 42.3 | Very low | 40 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 75% | 0.753 | 69% | 0.685 | S | S | * | * | | | trans | -60.2 | 127.9 | 171.2 | 25.6 | -32.7 | 0 | 0 | 0 | 108.5 | V355 R359 | V355-P357 VanDerWaalsContact O-CD 3.29Å; V355-P357 WeakPolarHBondContact O-CD 3.41Å; P357-R359 PolarHBondContact O-N 2.84Å |
| 358 | Y | 41.2 | Very low | 39.4 | Very low | 186 Ų | 186 | 138.1 Ų | 138.1 | 73% | 0.729 | 70% | 0.695 | S | S | * | * | | | trans | -57.2 | 115.7 | 173 | -165.9 | -96.9 | 0 | 0 | 0 | 107.8 | T356 D360 | T356-Y358 PolarHBondContact O-N 3.23Å; Y358-D360 PolarHBondContact O-N 2.98Å; Y358-D360 VanDerWaalsContact O-N 3.08Å |
| 359 | R | 38.3 | Very low | 38.8 | Very low | 220 Ų | 220 | 135.6 Ų | 135.6 | 83% | 0.83 | 69% | 0.692 | S | S | * | * | | | trans | -72.5 | 103.9 | 171.5 | -78.7 | -172.9 | 175.6 | -175.1 | -0.4 | 106.9 | P357 T361 | P357-R359 PolarHBondContact O-N 2.84Å; R359-T361 PolarHBondContact O-N 3.34Å |
| 360 | D | 39.1 | Very low | 38.3 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | | | trans | -61.5 | 82 | 160.6 | -88.4 | -11.3 | 0 | 0 | 0 | 109 | Y358 | Y358-D360 PolarHBondContact O-N 2.98Å; Y358-D360 VanDerWaalsContact O-N 3.08Å |
| 361 | T | 36.6 | Very low | 37.7 | Very low | 77 Ų | 77 | 136.6 Ų | 136.6 | 47% | 0.472 | 71% | 0.713 | S | S | . | * | | | trans | -71 | 125.4 | 157.9 | 52.7 | 0 | 0 | 0 | 0 | 106.7 | R359 E363 S364 | R359-T361 PolarHBondContact O-N 3.34Å; T361-E363 PolarHBondContact O-N 3.34Å; T361-S364 PolarHBondContact O-N 3.15Å; T361-S364 PolarHBondContact O-OG 3.26Å |
| 362 | K | 42.2 | Very low | 37.3 | Very low | 204 Ų | 204 | 135.3 Ų | 135.3 | 89% | 0.887 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 9.2 | -177.6 | -71.9 | -176.8 | 172.4 | -178.2 | 0 | 114.6 | | |
| 363 | E | 40.5 | Very low | 37 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 73% | 0.729 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -15.7 | -176.1 | -64.3 | 165.5 | 169 | 0 | 0 | 112 | T361 V365 | T361-E363 PolarHBondContact O-N 3.34Å; E363-V365 VanDerWaalsContact C-N 3.32Å; E363-V365 PolarHBondContact O-N 2.9Å |
| 364 | S | 40.1 | Very low | 36.5 | Very low | 70 Ų | 70 | 142 Ų | 142 | 49% | 0.49 | 73% | 0.725 | S | S | . | * | S | Bend | trans | -82.4 | -5.8 | 179.3 | 61.1 | 0 | 0 | 0 | 0 | 114.2 | T361 | T361-S364 PolarHBondContact O-N 3.15Å; T361-S364 PolarHBondContact O-OG 3.26Å |
| 365 | V | 37 | Very low | 36.5 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 61% | 0.612 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -132.1 | 79.3 | -173.3 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | E363 | E363-V365 VanDerWaalsContact C-N 3.32Å; E363-V365 PolarHBondContact O-N 2.9Å |
| 366 | F | 31.2 | Very low | 36.2 | Very low | 195 Ų | 195 | 144.5 Ų | 144.5 | 86% | 0.855 | 73% | 0.729 | S | S | * | * | | | trans | 71.6 | 86.7 | 170.5 | -53.1 | -81.3 | 0 | 0 | 0 | 119.2 | | |
| 367 | T | 33.1 | Very low | 36.2 | Very low | 103 Ų | 103 | 145.6 Ų | 145.6 | 63% | 0.632 | 73% | 0.725 | S | S | * | * | | | trans | -152.6 | 113.3 | 137.1 | 43.2 | 0 | 0 | 0 | 0 | 106.8 | | |
| 368 | E | 30.4 | Very low | 36.1 | Very low | 178 Ų | 178 | 150 Ų | 150 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | | | | 50.8 | 119 | 88.9 | -69.9 | -168.4 | 160.1 | 0 | 0 | 114.5 | | |
| 369 | S | 30.3 | Very low | 36.1 | Very low | 102 Ų | 102 | 145.8 Ų | 145.8 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | | | trans | 51.3 | 76.6 | 164.8 | 55.3 | 0 | 0 | 0 | 0 | 117.8 | Y371 | S369-Y371 PolarHBondContact O-N 2.99Š|
| 370 | C | 31.5 | Very low | 36.1 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | | | trans | -72.7 | 76.8 | 156.8 | -69 | 0 | 0 | 0 | 0 | 111 | L372 | C370-L372 PolarHBondContact O-N 3.26Å; C370-L372 VanDerWaalsContact O-N 3.08Å |
| 371 | Y | 28.7 | Very low | 36.1 | Very low | 225 Ų | 225 | 146.1 Ų | 146.1 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | | | trans | -67.2 | 89.4 | 142.8 | -83.3 | -89.4 | 0 | 0 | 0 | 106.9 | S369 | S369-Y371 PolarHBondContact O-N 2.99Š|
| 372 | L | 35.9 | Very low | 36 | Very low | 150 Ų | 150 | 149.6 Ų | 149.6 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | trans | -117.6 | 119.4 | 166.1 | -89.4 | 166.7 | 0 | 0 | 0 | 107.7 | C370 | C370-L372 PolarHBondContact O-N 3.26Å; C370-L372 VanDerWaalsContact O-N 3.08Å |
| 373 | E | 32.9 | Very low | 35.7 | Very low | 175 Ų | 175 | 146.7 Ų | 146.7 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -60.6 | 153.1 | -175.6 | -68.2 | 165.9 | 145.2 | 0 | 0 | 111.9 | | |
| 374 | N | 32.9 | Very low | 35.5 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 55% | 0.545 | 78% | 0.778 | S | S | . | * | | | trans | -62.8 | 127.2 | -174.4 | -166.1 | 2.6 | 0 | 0 | 0 | 110.4 | Y376 E377 | N374-Y376 PolarHBondContact O-N 3.48Å; N374-E377 PolarHBondContact O-N 2.95Å |
| 375 | P | 38.6 | Very low | 35.2 | Very low | 117 Ų | 117 | 150.6 Ų | 150.6 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 5 | -178.4 | 27.1 | -35.8 | 0 | 0 | 0 | 114.8 | | |
| 376 | Y | 36.1 | Very low | 35.1 | Very low | 184 Ų | 184 | 153.8 Ų | 153.8 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -7.3 | 176.4 | -79.2 | -81.5 | 0 | 0 | 0 | 115.2 | N374 K378 S379 | N374-Y376 PolarHBondContact O-N 3.48Å; Y376-K378 PolarHBondContact O-N 2.81Å; Y376-S379 PolarHBondContact O-OG 2.96Å |
| 377 | E | 41 | Very low | 35.3 | Very low | 147 Ų | 147 | 151 Ų | 151 | 69% | 0.687 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 9.4 | -178.8 | -71.3 | -173 | 146.3 | 0 | 0 | 115 | N374 | N374-E377 PolarHBondContact O-N 2.95Š|
| 378 | K | 41 | Very low | 35.5 | Very low | 208 Ų | 208 | 154.4 Ų | 154.4 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | 18.7 | 174.9 | -79.6 | -175 | 176.8 | 172.9 | 0 | 115.3 | Y376 | Y376-K378 PolarHBondContact O-N 2.81Š|
| 379 | S | 40.6 | Very low | 35.9 | Very low | 97 Ų | 97 | 152.6 Ų | 152.6 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -120 | 13.4 | 172.6 | 55.9 | 0 | 0 | 0 | 0 | 114.2 | Y376 | Y376-S379 PolarHBondContact O-OG 2.96Š|
| 380 | Q | 38 | Very low | 36.3 | Very low | 188 Ų | 188 | 156.8 Ų | 156.8 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | | | trans | -124.6 | 80.5 | 166 | -70 | -170.3 | -6.4 | 0 | 0 | 110.2 | | |
| 381 | A | 38.9 | Very low | 36.8 | Very low | 175 Ų | 175 | 160.7 Ų | 160.7 | 100% | 1.446 | 83% | 0.828 | S | S | * | * | | | trans | -142.8 | 0 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |