| 1 | M | 43.4 | Very low | 48.7 | Very low | 252 Ų | 252 | 156.6 Ų | 156.6 | 100% | 1.241 | 81% | 0.81 | S | S | * | * | | | | 0 | 106 | 0 | -156.9 | 160.7 | 178.9 | 0 | 0 | 104.9 | | |
| 2 | S | 41.8 | Very low | 48.7 | Very low | 98 Ų | 98 | 150.5 Ų | 150.5 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | | | trans | -103.1 | 162.3 | -168.5 | -61 | 0 | 0 | 0 | 0 | 111.3 | | |
| 3 | A | 52.1 | Low | 49 | Very low | 97 Ų | 97 | 154.8 Ų | 154.8 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | | | trans | -155.2 | 67 | 168.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 4 | E | 54.2 | Low | 48.8 | Very low | 141 Ų | 141 | 156.1 Ų | 156.1 | 66% | 0.659 | 82% | 0.816 | S | S | * | * | | | | 42.3 | 105.1 | 88.4 | 31.5 | -163.7 | 100.1 | 0 | 0 | 112.2 | | |
| 5 | D | 48.9 | Very low | 48.9 | Very low | 161 Ų | 161 | 151.5 Ų | 151.5 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | | | | 64.1 | 93.9 | 88.6 | -72.5 | -55.6 | 0 | 0 | 0 | 111.5 | | |
| 6 | F | 58 | Low | 48.6 | Very low | 179 Ų | 179 | 148.5 Ų | 148.5 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -147.7 | 11.7 | -170.4 | -119.2 | -79.7 | 0 | 0 | 0 | 117.9 | | |
| 7 | F | 55.7 | Low | 48.8 | Very low | 216 Ų | 216 | 149 Ų | 149 | 95% | 0.947 | 80% | 0.798 | S | S | * | * | | | trans | -137.7 | 66.5 | 175.9 | -73.4 | -73.1 | 0 | 0 | 0 | 113 | | |
| 8 | D | 43.3 | Very low | 48.6 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | | | trans | -138.2 | 156.6 | 156.5 | -146.4 | -34.4 | 0 | 0 | 0 | 109.2 | | |
| 9 | N | 46.7 | Very low | 48.9 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 58% | 0.583 | 80% | 0.796 | S | S | * | * | | | trans | 66.7 | 99.7 | 178 | -175.3 | 74.7 | 0 | 0 | 0 | 119.3 | | |
| 10 | D | 48.6 | Very low | 48.8 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | | | | -161.4 | 120 | 112.8 | -113.7 | -1.7 | 0 | 0 | 0 | 108.6 | | |
| 11 | K | 43.3 | Very low | 48.7 | Very low | 166 Ų | 166 | 145 Ų | 145 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | | | cis | 105.5 | 115.4 | 32.7 | -173.6 | 178.3 | -172.6 | 177.1 | 0 | 111.8 | | |
| 12 | A | 49 | Very low | 49 | Very low | 83 Ų | 83 | 141.7 Ų | 141.7 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | | | trans | 62.6 | 118.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 13 | K | 51.9 | Low | 49.4 | Very low | 206 Ų | 206 | 141.6 Ų | 141.6 | 90% | 0.896 | 77% | 0.774 | S | S | * | * | | | | -172.2 | 115.5 | 91.1 | -94.6 | 160.4 | -172.8 | 176.8 | 0 | 111.7 | | |
| 14 | N | 45.8 | Very low | 49.4 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | | | trans | -94.1 | 122.6 | 165.4 | -161.2 | 17.8 | 0 | 0 | 0 | 107.4 | | |
| 15 | S | 51.2 | Low | 48.8 | Very low | 87 Ų | 87 | 143.5 Ų | 143.5 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | | | trans | -167.7 | 78.9 | -176.2 | 172.5 | 0 | 0 | 0 | 0 | 110 | | |
| 16 | S | 44.4 | Very low | 48.8 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | | 54.6 | 86.6 | 93.8 | 73.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 17 | I | 51 | Low | 48.2 | Very low | 157 Ų | 157 | 142.9 Ų | 142.9 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | | | trans | -140.4 | 112.1 | 156 | -57.9 | 172.7 | 0 | 0 | 0 | 108.1 | | |
| 18 | P | 44.9 | Very low | 47.3 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | trans | -102.5 | 138.1 | 158.7 | 35 | -26.3 | 0 | 0 | 0 | 110.4 | | |
| 19 | A | 55.7 | Low | 47.5 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -156.9 | 119.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 20 | D | 45.7 | Very low | 47.4 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | | | trans | -78 | -175.1 | 174.7 | -76.6 | -67.8 | 0 | 0 | 0 | 112.3 | | |
| 21 | D | 47.8 | Very low | 47.2 | Very low | 146 Ų | 146 | 135.4 Ų | 135.4 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | | | trans | 92.8 | 82.9 | 158.2 | -57.8 | -37 | 0 | 0 | 0 | 120.1 | | |
| 22 | E | 48.8 | Very low | 47.1 | Very low | 184 Ų | 184 | 133.2 Ų | 133.2 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | | 75.8 | 161.3 | 120.5 | -93.7 | -130.8 | 106.9 | 0 | 0 | 121.2 | | |
| 23 | P | 49.6 | Very low | 46.9 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 62% | 0.617 | 78% | 0.784 | S | S | * | * | | | trans | -125.1 | 170 | -131.9 | 44.7 | -35 | 0 | 0 | 0 | 114.4 | | |
| 24 | T | 52.2 | Low | 46.6 | Very low | 138 Ų | 138 | 133.1 Ų | 133.1 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | | | trans | -152.7 | 140.7 | 151.3 | -30.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 25 | D | 43.2 | Very low | 46.8 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | | | trans | -54.4 | 169.5 | 172.3 | -73.6 | -67.6 | 0 | 0 | 0 | 115 | | |
| 26 | N | 48.2 | Very low | 46.8 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | | | trans | 89.6 | 81.5 | 162.2 | -43.4 | -69.5 | 0 | 0 | 0 | 117.1 | | |
| 27 | Q | 45.1 | Very low | 47 | Very low | 181 Ų | 181 | 134.5 Ų | 134.5 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | | | | -172.4 | 131.9 | 107.7 | -103.9 | -178.3 | 49.5 | 0 | 0 | 114.8 | T29 | Q27-T29 PolarHBondContact O-N 3.49Š|
| 28 | T | 37.9 | Very low | 46.9 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | | | trans | -24.6 | 95.4 | 156.1 | -47 | 0 | 0 | 0 | 0 | 115.1 | | |
| 29 | T | 46.6 | Very low | 47.3 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | | | trans | -112.1 | 110.1 | 160 | -53.4 | 0 | 0 | 0 | 0 | 108.3 | Q27 | Q27-T29 PolarHBondContact O-N 3.49Š|
| 30 | G | 43.8 | Very low | 46.8 | Very low | 64 Ų | 64 | 137.4 Ų | 137.4 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | | | trans | -74.2 | 163.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 31 | D | 45.4 | Very low | 47.1 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | trans | 66.3 | 61.2 | 170.4 | -138.6 | 0.4 | 0 | 0 | 0 | 115.9 | R33 | D31-R33 PolarHBondContact O-N 2.88Š|
| 32 | S | 41.8 | Very low | 47.3 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | | | trans | -66 | 61.1 | 162.2 | -48.2 | 0 | 0 | 0 | 0 | 111.9 | T34 | S32-T34 VanDerWaalsContact C-N 3.33Å; S32-T34 PolarHBondContact O-N 2.81Å |
| 33 | R | 42.9 | Very low | 47.9 | Very low | 203 Ų | 203 | 131.8 Ų | 131.8 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | | | trans | -79.5 | 81.7 | -179 | -165.6 | 169.8 | -177.1 | 160.1 | 0.5 | 111.2 | D31 | D31-R33 PolarHBondContact O-N 2.88Š|
| 34 | T | 46.2 | Very low | 48.5 | Very low | 85 Ų | 85 | 134.8 Ų | 134.8 | 52% | 0.521 | 74% | 0.742 | S | S | . | * | | | trans | 8.4 | 115.4 | 156.9 | 47.2 | 0 | 0 | 0 | 0 | 116.9 | S32 D36 | S32-T34 VanDerWaalsContact C-N 3.33Å; S32-T34 PolarHBondContact O-N 2.81Å; T34-D36 WeakPolarHBondContact CB-OD2 3.49Å; T34-D36 WeakPolarHBondContact CG2-OD2 3.33Å; T34-D36 PolarHBondContact O-N 3.37Å; T34-D36 VanDerWaalsContact O-N 3.13Å |
| 35 | P | 51.1 | Low | 49.2 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -77.1 | 21.4 | 165.6 | 35.1 | -34.7 | 0 | 0 | 0 | 113.3 | | |
| 36 | D | 50.4 | Low | 50.9 | Low | 122 Ų | 122 | 130.2 Ų | 130.2 | 65% | 0.652 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -87 | -6.9 | -170.4 | -64.4 | -78.2 | 0 | 0 | 0 | 115.2 | T34 Q38 | T34-D36 WeakPolarHBondContact CB-OD2 3.49Å; T34-D36 WeakPolarHBondContact CG2-OD2 3.33Å; T34-D36 PolarHBondContact O-N 3.37Å; T34-D36 VanDerWaalsContact O-N 3.13Å; D36-Q38 VanDerWaalsContact C-N 3.32Å; D36-Q38 PolarHBondContact O-N 3.49Å |
| 37 | D | 49.4 | Very low | 52.5 | Low | 146 Ų | 146 | 128.4 Ų | 128.4 | 78% | 0.781 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -80 | -5.6 | 179.7 | -94.4 | -35 | 0 | 0 | 0 | 114.2 | | |
| 38 | Q | 48 | Very low | 54.2 | Low | 171 Ų | 171 | 123.8 Ų | 123.8 | 80% | 0.799 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -88 | -11.1 | -169.7 | -112 | -158.6 | 99.6 | 0 | 0 | 116.9 | D36 | D36-Q38 VanDerWaalsContact C-N 3.32Å; D36-Q38 PolarHBondContact O-N 3.49Å |
| 39 | L | 52.9 | Low | 56.4 | Low | 170 Ų | 170 | 120.9 Ų | 120.9 | 89% | 0.89 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -119.2 | -5.8 | -176.8 | -68.3 | 174.9 | 0 | 0 | 0 | 115 | M41 | L39-M41 VanDerWaalsContact C-N 3.26Å; L39-M41 PolarHBondContact O-N 3.35Å |
| 40 | S | 46.1 | Very low | 58.3 | Low | 92 Ų | 92 | 121 Ų | 121 | 64% | 0.643 | 66% | 0.656 | S | S | * | * | | | trans | -90.7 | 51.8 | 174 | -156.4 | 0 | 0 | 0 | 0 | 112.2 | K42 | S40-K42 PolarHBondContact O-N 3.16Š|
| 41 | M | 51.2 | Low | 60.5 | Low | 116 Ų | 116 | 120 Ų | 120 | 57% | 0.571 | 65% | 0.645 | S | S | * | * | | | trans | -67.5 | 84.3 | 170.1 | -78.2 | -86 | -172 | 0 | 0 | 109.6 | L39 | L39-M41 VanDerWaalsContact C-N 3.26Å; L39-M41 PolarHBondContact O-N 3.35Å |
| 42 | K | 52.1 | Low | 62.6 | Low | 141 Ų | 141 | 119.3 Ų | 119.3 | 61% | 0.613 | 64% | 0.641 | S | S | * | * | | | trans | -42.8 | 135.2 | 175.5 | -72.1 | 166.1 | 179.6 | 164.1 | 0 | 110.1 | S40 E44 S45 | S40-K42 PolarHBondContact O-N 3.16Å; K42-E44 PolarHBondContact O-N 3.41Å; K42-S45 WeakPolarHBondContact O-CB 3.29Å; K42-S45 PolarHBondContact O-N 3.11Å |
| 43 | P | 61.7 | Low | 64.9 | Low | 105 Ų | 105 | 117.5 Ų | 117.5 | 68% | 0.682 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.3 | -26.3 | -173.4 | 22 | -33.4 | 0 | 0 | 0 | 113.2 | S45 W46 V47 | P43-S45 VanDerWaalsContact C-N 3.27Å; P43-S45 PolarHBondContact O-N 2.77Å; P43-W46 PolarHBondContact O-N 2.86Å; P43-V47 PolarHBondContact O-N 3.29Å |
| 44 | E | 62.4 | Low | 67.2 | Low | 158 Ų | 158 | 115.1 Ų | 115.1 | 74% | 0.738 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -59.1 | -32.7 | 173.9 | -56.7 | 179.8 | 148.2 | 0 | 0 | 113.4 | K42 S48 | K42-E44 PolarHBondContact O-N 3.41Å; E44-S48 PolarHBondContact O-N 3.5Å |
| 45 | S | 66.7 | Low | 69.4 | Low | 49 Ų | 49 | 116.5 Ų | 116.5 | 34% | 0.343 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.6 | -43.2 | 178.5 | -170.1 | 0 | 0 | 0 | 0 | 111.6 | K42 P43 V47 S48 I49 | K42-S45 WeakPolarHBondContact O-CB 3.29Å; K42-S45 PolarHBondContact O-N 3.11Å; P43-S45 VanDerWaalsContact C-N 3.27Å; P43-S45 PolarHBondContact O-N 2.77Å; S45-V47 PolarHBondContact O-N 3.37Å; S45-S48 WeakPolarHBondContact O-CB 3.39Å; S45-S48 PolarHBondContact O-N 2.88Å; S45-S48 VanDerWaalsContact O-N 3.14Å; S45-I49 WeakPolarHBondContact O-CG1 3.3Å; S45-I49 PolarHBondContact O-N 3.38Å |
| 46 | W | 78.9 | Confident | 71.4 | Confident | 133 Ų | 133 | 116.4 Ų | 116.4 | 50% | 0.504 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.6 | -43 | 178.1 | -69.4 | 86.9 | 0 | 0 | 0 | 111.8 | P43 S48 I49 F50 | P43-W46 PolarHBondContact O-N 2.86Å; W46-S48 VanDerWaalsContact C-N 3.28Å; W46-S48 PolarHBondContact O-N 2.94Å; W46-I49 PolarHBondContact O-N 3.24Å; W46-F50 HydrophobicContact CB-CD2 4.4Å; W46-F50 HydrophobicContact CB-CE2 4.34Å; W46-F50 AromaticContact CE3-CE2 3.97Å; W46-F50 HydrophobicContact CE3-CE2 3.97Å; W46-F50 HydrophobicContact CE3-CZ 4.35Å; W46-F50 WeakPolarHBondContact O-CD2 3.39Å; W46-F50 PolarHBondContact O-N 3.1Å |
| 47 | V | 81.6 | Confident | 73.5 | Confident | 108 Ų | 108 | 112.4 Ų | 112.4 | 66% | 0.655 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.7 | -38.9 | 176.1 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | P43 S45 G51 | P43-V47 PolarHBondContact O-N 3.29Å; S45-V47 PolarHBondContact O-N 3.37Å; V47-G51 PolarHBondContact O-N 2.97Å |
| 48 | S | 81.9 | Confident | 75.7 | Confident | 83 Ų | 83 | 111.9 Ų | 111.9 | 58% | 0.58 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.8 | -45.2 | 174.4 | -169.2 | 0 | 0 | 0 | 0 | 112.3 | E44 S45 W46 G51 L52 | E44-S48 PolarHBondContact O-N 3.5Å; S45-S48 WeakPolarHBondContact O-CB 3.39Å; S45-S48 PolarHBondContact O-N 2.88Å; S45-S48 VanDerWaalsContact O-N 3.14Å; W46-S48 VanDerWaalsContact C-N 3.28Å; W46-S48 PolarHBondContact O-N 2.94Å; S48-G51 PolarHBondContact O-N 3.46Å; S48-L52 WeakPolarHBondContact O-CB 3.4Å; S48-L52 PolarHBondContact O-N 2.89Å |
| 49 | I | 83.8 | Confident | 77.8 | Confident | 83 Ų | 83 | 108.8 Ų | 108.8 | 43% | 0.426 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.4 | -45 | 178.8 | -65.4 | 160.8 | 0 | 0 | 0 | 111.2 | S45 W46 L52 T53 | S45-I49 WeakPolarHBondContact O-CG1 3.3Å; S45-I49 PolarHBondContact O-N 3.38Å; W46-I49 PolarHBondContact O-N 3.24Å; I49-L52 PolarHBondContact O-N 3.46Å; I49-T53 WeakPolarHBondContact O-CB 3.41Å; I49-T53 WeakPolarHBondContact O-CG2 3.32Å; I49-T53 PolarHBondContact O-N 2.86Å; I49-T53 PolarHBondContact O-OG1 3.34Å |
| 50 | F | 87 | Confident | 79.8 | Confident | 131 Ų | 131 | 103.1 Ų | 103.1 | 58% | 0.575 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.6 | -39.2 | 174.5 | -74.4 | -59.8 | 0 | 0 | 0 | 112.1 | W46 T53 F54 | W46-F50 HydrophobicContact CB-CD2 4.4Å; W46-F50 HydrophobicContact CB-CE2 4.34Å; W46-F50 AromaticContact CE3-CE2 3.97Å; W46-F50 HydrophobicContact CE3-CE2 3.97Å; W46-F50 HydrophobicContact CE3-CZ 4.35Å; W46-F50 WeakPolarHBondContact O-CD2 3.39Å; W46-F50 PolarHBondContact O-N 3.1Å; F50-T53 WeakPolarHBondContact CA-OG1 3.36Å; F50-T53 PolarHBondContact O-OG1 3.36Å; F50-T53 VanDerWaalsContact O-OG1 3.12Å; F50-F54 WeakPolarHBondContact O-CB 3.46Å; F50-F54 PolarHBondContact O-N 3.42Å |
| 51 | G | 90 | Very high | 82.1 | Confident | 41 Ų | 41 | 102.6 Ų | 102.6 | 42% | 0.423 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.3 | -44.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | V47 S48 L55 | V47-G51 PolarHBondContact O-N 2.97Å; S48-G51 PolarHBondContact O-N 3.46Å; G51-L55 WeakPolarHBondContact O-CB 3.37Å; G51-L55 PolarHBondContact O-N 2.86Å |
| 52 | L | 88.2 | Confident | 84 | Confident | 124 Ų | 124 | 98.9 Ų | 98.9 | 65% | 0.649 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.9 | -46 | 179.1 | -169.3 | 79 | 0 | 0 | 0 | 111.8 | S48 I49 L55 L56 | S48-L52 WeakPolarHBondContact O-CB 3.4Å; S48-L52 PolarHBondContact O-N 2.89Å; I49-L52 PolarHBondContact O-N 3.46Å; L52-L55 PolarHBondContact O-N 3.15Å; L52-L56 WeakPolarHBondContact O-CB 3.35Å; L52-L56 PolarHBondContact O-N 3.02Å |
| 53 | T | 90.3 | Very high | 86 | Confident | 82 Ų | 82 | 95.7 Ų | 95.7 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 178.4 | 49 | 0 | 0 | 0 | 0 | 111.8 | I49 F50 L56 G57 | I49-T53 WeakPolarHBondContact O-CB 3.41Å; I49-T53 WeakPolarHBondContact O-CG2 3.32Å; I49-T53 PolarHBondContact O-N 2.86Å; I49-T53 PolarHBondContact O-OG1 3.34Å; F50-T53 WeakPolarHBondContact CA-OG1 3.36Å; F50-T53 PolarHBondContact O-OG1 3.36Å; F50-T53 VanDerWaalsContact O-OG1 3.12Å; T53-L56 PolarHBondContact O-N 2.79Å; T53-G57 PolarHBondContact O-N 2.84Å |
| 54 | F | 92 | Very high | 87.5 | Confident | 152 Ų | 152 | 95.7 Ų | 95.7 | 67% | 0.667 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.6 | -44.5 | 172.9 | -176.1 | -95.1 | 0 | 0 | 0 | 112.1 | F50 L56 G57 F58 | F50-F54 WeakPolarHBondContact O-CB 3.46Å; F50-F54 PolarHBondContact O-N 3.42Å; F54-L56 PolarHBondContact O-N 3.43Å; F54-G57 PolarHBondContact O-N 3.17Å; F54-F58 WeakPolarHBondContact O-CB 3.42Å; F54-F58 PolarHBondContact O-N 3.27Å |
| 55 | L | 92.1 | Very high | 88.9 | Confident | 115 Ų | 115 | 92.9 Ų | 92.9 | 60% | 0.602 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.7 | -43.4 | 177.8 | -176.6 | 66.1 | 0 | 0 | 0 | 111.9 | G51 L52 F58 L59 | G51-L55 WeakPolarHBondContact O-CB 3.37Å; G51-L55 PolarHBondContact O-N 2.86Å; L52-L55 PolarHBondContact O-N 3.15Å; L55-F58 PolarHBondContact O-N 2.97Å; L55-L59 WeakPolarHBondContact O-CB 3.31Å; L55-L59 PolarHBondContact O-N 2.87Å |
| 56 | L | 92.6 | Very high | 90 | Very high | 123 Ų | 123 | 97.7 Ų | 97.7 | 64% | 0.644 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.9 | -43.3 | 177.7 | -170.9 | 66.7 | 0 | 0 | 0 | 111.7 | L52 T53 F54 L59 A60 | L52-L56 WeakPolarHBondContact O-CB 3.35Å; L52-L56 PolarHBondContact O-N 3.02Å; T53-L56 PolarHBondContact O-N 2.79Å; F54-L56 PolarHBondContact O-N 3.43Å; L56-L59 PolarHBondContact O-N 3.33Å; L56-A60 PolarHBondContact O-N 2.85Å |
| 57 | G | 95.1 | Very high | 90.5 | Very high | 37 Ų | 37 | 97.4 Ų | 97.4 | 38% | 0.381 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T53 F54 L59 A60 V61 | T53-G57 PolarHBondContact O-N 2.84Å; F54-G57 PolarHBondContact O-N 3.17Å; G57-L59 VanDerWaalsContact C-N 3.34Å; G57-L59 PolarHBondContact O-N 3.03Å; G57-A60 PolarHBondContact O-N 2.89Å; G57-V61 WeakPolarHBondContact O-CG2 3.33Å; G57-V61 PolarHBondContact O-N 3.4Å |
| 58 | F | 94.6 | Very high | 90.9 | Very high | 135 Ų | 135 | 95.6 Ų | 95.6 | 59% | 0.592 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.2 | -42.2 | 175.6 | -177.1 | -95.6 | 0 | 0 | 0 | 111.8 | F54 L55 V61 A62 | F54-F58 WeakPolarHBondContact O-CB 3.42Å; F54-F58 PolarHBondContact O-N 3.27Å; L55-F58 PolarHBondContact O-N 2.97Å; F58-V61 PolarHBondContact O-N 2.98Å; F58-A62 VanDerWaalsContact O-CB 3.31Å; F58-A62 WeakPolarHBondContact O-CB 3.33Å; F58-A62 PolarHBondContact O-N 2.88Å |
| 59 | L | 93.1 | Very high | 91 | Very high | 107 Ų | 107 | 97.5 Ų | 97.5 | 56% | 0.56 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.5 | -43.3 | 176.7 | -171.5 | 65.9 | 0 | 0 | 0 | 111.7 | L55 L56 G57 A62 V63 | L55-L59 WeakPolarHBondContact O-CB 3.31Å; L55-L59 PolarHBondContact O-N 2.87Å; L56-L59 PolarHBondContact O-N 3.33Å; G57-L59 VanDerWaalsContact C-N 3.34Å; G57-L59 PolarHBondContact O-N 3.03Å; L59-A62 PolarHBondContact O-N 3.32Å; L59-V63 WeakPolarHBondContact O-CG2 3.42Å; L59-V63 PolarHBondContact O-N 3.29Å |
| 60 | A | 94 | Very high | 91 | Very high | 51 Ų | 51 | 97.7 Ų | 97.7 | 42% | 0.421 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L56 G57 A62 V63 I64 | L56-A60 PolarHBondContact O-N 2.85Å; G57-A60 PolarHBondContact O-N 2.89Å; A60-A62 VanDerWaalsContact C-N 3.35Å; A60-A62 PolarHBondContact O-N 3.45Å; A60-V63 PolarHBondContact O-N 3.46Å; A60-I64 WeakPolarHBondContact O-CG1 3.37Å; A60-I64 PolarHBondContact O-N 3Å |
| 61 | V | 93.9 | Very high | 90.6 | Very high | 81 Ų | 81 | 96.7 Ų | 96.7 | 49% | 0.491 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 176.2 | 174 | 0 | 0 | 0 | 0 | 111.3 | G57 F58 V63 I64 L65 | G57-V61 WeakPolarHBondContact O-CG2 3.33Å; G57-V61 PolarHBondContact O-N 3.4Å; F58-V61 PolarHBondContact O-N 2.98Å; V61-V63 PolarHBondContact O-N 2.83Å; V61-I64 PolarHBondContact O-N 3.14Å; V61-L65 HydrophobicContact CG1-CD1 3.93Å; V61-L65 HydrophobicContact CG1-CG 4.26Å; V61-L65 WeakPolarHBondContact O-CB 3.33Å; V61-L65 VanDerWaalsContact O-CG 3.32Å; V61-L65 WeakPolarHBondContact O-CG 3.19Å; V61-L65 PolarHBondContact O-N 3.29Å |
| 62 | A | 93.2 | Very high | 90 | Very high | 37 Ų | 37 | 100.6 Ų | 100.6 | 31% | 0.306 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.8 | -39.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F58 L59 A60 K66 | F58-A62 VanDerWaalsContact O-CB 3.31Å; F58-A62 WeakPolarHBondContact O-CB 3.33Å; F58-A62 PolarHBondContact O-N 2.88Å; L59-A62 PolarHBondContact O-N 3.32Å; A60-A62 VanDerWaalsContact C-N 3.35Å; A60-A62 PolarHBondContact O-N 3.45Å; A62-K66 WeakPolarHBondContact O-CB 3.09Å; A62-K66 WeakPolarHBondContact O-CG 3.47Å; A62-K66 PolarHBondContact O-N 2.99Å |
| 63 | V | 93.3 | Very high | 88.9 | Confident | 75 Ų | 75 | 100.4 Ų | 100.4 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.5 | -44.8 | 174.1 | 171.6 | 0 | 0 | 0 | 0 | 111 | L59 A60 V61 K66 M67 | L59-V63 WeakPolarHBondContact O-CG2 3.42Å; L59-V63 PolarHBondContact O-N 3.29Å; A60-V63 PolarHBondContact O-N 3.46Å; V61-V63 PolarHBondContact O-N 2.83Å; V63-K66 PolarHBondContact O-N 3.09Å; V63-M67 PolarHBondContact O-N 3.46Å |
| 64 | I | 93.2 | Very high | 87.5 | Confident | 105 Ų | 105 | 101.5 Ų | 101.5 | 54% | 0.538 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61 | -47.1 | 176.7 | -66.4 | 163.4 | 0 | 0 | 0 | 110.5 | A60 V61 K66 M67 V68 | A60-I64 WeakPolarHBondContact O-CG1 3.37Å; A60-I64 PolarHBondContact O-N 3Å; V61-I64 PolarHBondContact O-N 3.14Å; I64-K66 VanDerWaalsContact C-N 3.33Å; I64-K66 PolarHBondContact O-N 2.99Å; I64-M67 PolarHBondContact O-N 3.37Å; I64-M67 VanDerWaalsContact O-N 3.17Å; I64-V68 HydrophobicContact CG2-CG2 4.39Å; I64-V68 WeakPolarHBondContact O-CG2 3.4Å; I64-V68 PolarHBondContact O-N 2.85Å |
| 65 | L | 92.3 | Very high | 85.9 | Confident | 98 Ų | 98 | 104 Ų | 104 | 51% | 0.513 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61 | -39.7 | 176.8 | -71.8 | 173.3 | 0 | 0 | 0 | 112.2 | V61 V68 Q69 | V61-L65 HydrophobicContact CG1-CD1 3.93Å; V61-L65 HydrophobicContact CG1-CG 4.26Å; V61-L65 WeakPolarHBondContact O-CB 3.33Å; V61-L65 VanDerWaalsContact O-CG 3.32Å; V61-L65 WeakPolarHBondContact O-CG 3.19Å; V61-L65 PolarHBondContact O-N 3.29Å; L65-V68 PolarHBondContact O-N 2.98Å; L65-Q69 WeakPolarHBondContact O-CB 3.49Å; L65-Q69 VanDerWaalsContact O-CG 3.3Å; L65-Q69 WeakPolarHBondContact O-CG 3.48Å; L65-Q69 PolarHBondContact O-N 2.92Å |
| 66 | K | 88.4 | Confident | 84.1 | Confident | 150 Ų | 150 | 105.1 Ų | 105.1 | 65% | 0.652 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.8 | -41.5 | 173.5 | -81.2 | -77.3 | -174.9 | 172.6 | 0 | 112.4 | A62 V63 I64 Q69 A70 | A62-K66 WeakPolarHBondContact O-CB 3.09Å; A62-K66 WeakPolarHBondContact O-CG 3.47Å; A62-K66 PolarHBondContact O-N 2.99Å; V63-K66 PolarHBondContact O-N 3.09Å; I64-K66 VanDerWaalsContact C-N 3.33Å; I64-K66 PolarHBondContact O-N 2.99Å; K66-Q69 PolarHBondContact O-N 3.46Å; K66-A70 WeakPolarHBondContact O-CB 3.34Å; K66-A70 PolarHBondContact O-N 2.99Å |
| 67 | M | 89.8 | Confident | 82 | Confident | 128 Ų | 128 | 108.9 Ų | 108.9 | 63% | 0.631 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.3 | -43.8 | 174.5 | -77 | -170.9 | 162.5 | 0 | 0 | 111.7 | V63 I64 Q69 A70 C71 | V63-M67 PolarHBondContact O-N 3.46Å; I64-M67 PolarHBondContact O-N 3.37Å; I64-M67 VanDerWaalsContact O-N 3.17Å; M67-Q69 PolarHBondContact O-N 3.21Å; M67-A70 PolarHBondContact O-N 3.48Å; M67-A70 VanDerWaalsContact O-N 3.15Å; M67-C71 WeakPolarHBondContact O-CB 3.43Å; M67-C71 PolarHBondContact O-N 3.45Å; M67-C71 PolarHBondContact O-SG 3.42Å; M67-C71 VanDerWaalsContact O-SG 3.33Å |
| 68 | V | 90.4 | Very high | 79.8 | Confident | 69 Ų | 69 | 112.3 Ų | 112.3 | 42% | 0.418 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62 | -42.6 | 175.6 | 173.5 | 0 | 0 | 0 | 0 | 111 | I64 L65 A70 C71 M72 | I64-V68 HydrophobicContact CG2-CG2 4.39Å; I64-V68 WeakPolarHBondContact O-CG2 3.4Å; I64-V68 PolarHBondContact O-N 2.85Å; L65-V68 PolarHBondContact O-N 2.98Å; V68-A70 VanDerWaalsContact C-N 3.31Å; V68-A70 PolarHBondContact O-N 3.3Å; V68-C71 PolarHBondContact O-N 3Å; V68-M72 HydrophobicContact CG1-CE 4.1Å; V68-M72 HydrophobicContact CG1-CG 4.4Å; V68-M72 HydrophobicContact CG1-SD 4.29Å; V68-M72 WeakPolarHBondContact O-CB 3.41Å; V68-M72 WeakPolarHBondContact O-CG 3.41Å; V68-M72 PolarHBondContact O-N 2.95Å |
| 69 | Q | 84.2 | Confident | 77.4 | Confident | 124 Ų | 124 | 111.5 Ų | 111.5 | 58% | 0.579 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.7 | -30.7 | 174.3 | -75.6 | 178 | 0.3 | 0 | 0 | 113.5 | L65 K66 M67 | L65-Q69 WeakPolarHBondContact O-CB 3.49Å; L65-Q69 VanDerWaalsContact O-CG 3.3Å; L65-Q69 WeakPolarHBondContact O-CG 3.48Å; L65-Q69 PolarHBondContact O-N 2.92Å; K66-Q69 PolarHBondContact O-N 3.46Å; M67-Q69 PolarHBondContact O-N 3.21Å |
| 70 | A | 82.6 | Confident | 75.1 | Confident | 86 Ų | 86 | 112.2 Ų | 112.2 | 71% | 0.711 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -77.4 | -35.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K66 M67 V68 | K66-A70 WeakPolarHBondContact O-CB 3.34Å; K66-A70 PolarHBondContact O-N 2.99Å; M67-A70 PolarHBondContact O-N 3.48Å; M67-A70 VanDerWaalsContact O-N 3.15Å; V68-A70 VanDerWaalsContact C-N 3.31Å; V68-A70 PolarHBondContact O-N 3.3Å |
| 71 | C | 80.4 | Confident | 72.6 | Confident | 110 Ų | 110 | 115.8 Ų | 115.8 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -78.2 | -24.1 | 176.6 | -68.4 | 0 | 0 | 0 | 0 | 113.1 | M67 V68 P73 | M67-C71 WeakPolarHBondContact O-CB 3.43Å; M67-C71 PolarHBondContact O-N 3.45Å; M67-C71 PolarHBondContact O-SG 3.42Å; M67-C71 VanDerWaalsContact O-SG 3.33Å; V68-C71 PolarHBondContact O-N 3Å; C71-P73 WeakPolarHBondContact O-CD 3.35Å |
| 72 | M | 75.4 | Confident | 70.6 | Confident | 124 Ų | 124 | 122 Ų | 122 | 61% | 0.611 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -78.9 | 115.8 | 170.7 | -76.3 | -168.7 | 173 | 0 | 0 | 110 | V68 T74 | V68-M72 HydrophobicContact CG1-CE 4.1Å; V68-M72 HydrophobicContact CG1-CG 4.4Å; V68-M72 HydrophobicContact CG1-SD 4.29Å; V68-M72 WeakPolarHBondContact O-CB 3.41Å; V68-M72 WeakPolarHBondContact O-CG 3.41Å; V68-M72 PolarHBondContact O-N 2.95Å; M72-T74 PolarHBondContact O-N 3.49Å |
| 73 | P | 65.4 | Low | 68.6 | Low | 120 Ų | 120 | 126.8 Ų | 126.8 | 78% | 0.779 | 71% | 0.706 | S | S | * | * | | | trans | -66.1 | 102.8 | 175.2 | 27.2 | -33.3 | 0 | 0 | 0 | 108.9 | C71 K75 | C71-P73 WeakPolarHBondContact O-CD 3.35Å; P73-K75 PolarHBondContact O-N 3.35Å |
| 74 | T | 61.5 | Low | 66.4 | Low | 105 Ų | 105 | 128.2 Ų | 128.2 | 64% | 0.644 | 72% | 0.715 | S | S | * | * | | | trans | -60.9 | 100.5 | 172.6 | 37.2 | 0 | 0 | 0 | 0 | 108.7 | M72 N76 | M72-T74 PolarHBondContact O-N 3.49Å; T74-N76 PolarHBondContact O-N 2.95Å |
| 75 | K | 58 | Low | 64.2 | Low | 203 Ų | 203 | 132.7 Ų | 132.7 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | | | trans | -60.2 | 89.2 | 161.4 | -86.1 | -177.4 | 174.7 | 174.6 | 0 | 107 | P73 Q77 | P73-K75 PolarHBondContact O-N 3.35Å; K75-Q77 PolarHBondContact O-N 3.37Å |
| 76 | N | 54.6 | Low | 62.1 | Low | 139 Ų | 139 | 136.6 Ų | 136.6 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | | | trans | -54.9 | 104.6 | 175.8 | -81.8 | -53 | 0 | 0 | 0 | 108.6 | T74 S78 | T74-N76 PolarHBondContact O-N 2.95Å; N76-S78 PolarHBondContact O-N 2.94Å |
| 77 | Q | 47.5 | Very low | 60 | Low | 202 Ų | 202 | 139 Ų | 139 | 94% | 0.944 | 76% | 0.757 | S | S | * | * | | | trans | -75.8 | 72 | -178.7 | -162.9 | 176.7 | 19.8 | 0 | 0 | 108.8 | K75 | K75-Q77 PolarHBondContact O-N 3.37Š|
| 78 | S | 50.3 | Low | 57.9 | Low | 109 Ų | 109 | 136.5 Ų | 136.5 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | | | trans | -124.8 | 75.5 | -175.2 | -173.7 | 0 | 0 | 0 | 0 | 110.2 | N76 | N76-S78 PolarHBondContact O-N 2.94Š|
| 79 | S | 44.4 | Very low | 55.8 | Low | 119 Ų | 119 | 142.2 Ų | 142.2 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -160 | 79.8 | 167.8 | 61.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 80 | S | 44.2 | Very low | 54 | Low | 121 Ų | 121 | 140.7 Ų | 140.7 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | | | trans | -145.3 | 72.3 | 160 | -166.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 81 | S | 42 | Very low | 52.4 | Low | 127 Ų | 127 | 143.7 Ų | 143.7 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | trans | -159.5 | 135.2 | 144.3 | -88.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 82 | K | 50.6 | Low | 51.1 | Low | 210 Ų | 210 | 149 Ų | 149 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | | | trans | -79.1 | 141.9 | -172.6 | -58.3 | 156.5 | 179.5 | 172.2 | 0 | 109.7 | | |
| 83 | N | 52.1 | Low | 50 | Low | 139 Ų | 139 | 147.8 Ų | 147.8 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | | | | 175.8 | 152.6 | 100.8 | -161.1 | 13.1 | 0 | 0 | 0 | 112.2 | | |
| 84 | T | 46.7 | Very low | 49.4 | Very low | 104 Ų | 104 | 146.7 Ų | 146.7 | 64% | 0.638 | 80% | 0.8 | S | S | * | * | | | trans | 44.7 | 102 | 160.3 | 34.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 85 | K | 46.6 | Very low | 49 | Very low | 200 Ų | 200 | 145.9 Ų | 145.9 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | | | | 49.6 | 101.3 | 91.7 | -90.8 | -170.9 | 173.2 | -179.5 | 0 | 113.2 | | |
| 86 | E | 48.5 | Very low | 48.8 | Very low | 180 Ų | 180 | 144.8 Ų | 144.8 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | | | | -166.1 | 166.1 | 127.3 | -91.8 | -96.8 | 83.5 | 0 | 0 | 107.8 | | |
| 87 | K | 45.2 | Very low | 48.7 | Very low | 201 Ų | 201 | 141 Ų | 141 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | trans | -76 | 144.4 | -162.8 | -57.9 | 159.9 | -175.7 | 167.7 | 0 | 112.9 | | |
| 88 | G | 44.2 | Very low | 49.2 | Very low | 75 Ų | 75 | 138.9 Ų | 138.9 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | 148.8 | 113.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 89 | Q | 47.1 | Very low | 49.5 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | | | trans | -81.1 | 176.1 | 166.2 | -142.4 | -163.4 | -32.7 | 0 | 0 | 110 | | |
| 90 | P | 45.7 | Very low | 50.1 | Low | 93 Ų | 93 | 139 Ų | 139 | 60% | 0.604 | 76% | 0.761 | S | S | * | * | | | | -113 | 137.4 | -94.3 | 37 | -24.1 | 0 | 0 | 0 | 113.2 | | |
| 91 | N | 49.2 | Very low | 50.8 | Low | 149 Ų | 149 | 140.8 Ų | 140.8 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | | | trans | -153.2 | 96.3 | 166.1 | -94.4 | -45.5 | 0 | 0 | 0 | 111.9 | | |
| 92 | K | 53.4 | Low | 51.5 | Low | 221 Ų | 221 | 140.7 Ų | 140.7 | 96% | 0.961 | 74% | 0.739 | S | S | * | * | | | trans | -118.3 | 58.8 | 173.5 | -72.1 | -172 | 177.2 | -179.3 | 0 | 111.4 | | |
| 93 | S | 51.8 | Low | 51.7 | Low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 72% | 0.718 | S | S | * | * | | | trans | -141.5 | 33.8 | -178.3 | 57 | 0 | 0 | 0 | 0 | 114.7 | | |
| 94 | S | 53.2 | Low | 52 | Low | 96 Ų | 96 | 133 Ų | 133 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -120.6 | -15.5 | 177.5 | 61.9 | 0 | 0 | 0 | 0 | 115.8 | | |
| 95 | A | 54.4 | Low | 52.6 | Low | 88 Ų | 88 | 136.5 Ų | 136.5 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -85.9 | -39.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 96 | Q | 52.2 | Low | 53.2 | Low | 181 Ų | 181 | 134.3 Ų | 134.3 | 85% | 0.846 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -20.2 | -179.9 | -79.6 | -170.5 | -19.2 | 0 | 0 | 113.9 | K98 K99 | Q96-K98 PolarHBondContact O-N 2.95Å; Q96-K98 VanDerWaalsContact O-N 3.11Å; Q96-K99 PolarHBondContact O-N 2.89Å |
| 97 | A | 53.9 | Low | 53.6 | Low | 58 Ų | 58 | 133 Ų | 133 | 48% | 0.479 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -65 | -16.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 98 | K | 57.1 | Low | 54.4 | Low | 158 Ų | 158 | 132.9 Ų | 132.9 | 69% | 0.687 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -75.7 | -46.3 | 177.1 | -67.6 | -171.2 | 177.2 | -176.1 | 0 | 112.3 | Q96 A100 K101 E102 | Q96-K98 PolarHBondContact O-N 2.95Å; Q96-K98 VanDerWaalsContact O-N 3.11Å; K98-A100 VanDerWaalsContact C-N 3.33Å; K98-A100 PolarHBondContact O-N 3.01Å; K98-K101 PolarHBondContact O-N 3.18Å; K98-K101 VanDerWaalsContact O-N 3.16Å; K98-E102 PolarHBondContact O-N 3.3Å |
| 99 | K | 57 | Low | 55.4 | Low | 168 Ų | 168 | 134.2 Ų | 134.2 | 73% | 0.73 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -68.2 | -27.6 | -178.5 | -69.4 | -162.2 | 174.1 | -169.2 | 0 | 114.1 | Q96 K101 E102 L103 | Q96-K99 PolarHBondContact O-N 2.89Å; K99-K101 VanDerWaalsContact C-N 3.33Å; K99-K101 PolarHBondContact O-N 3.45Å; K99-E102 PolarHBondContact O-N 3.12Å; K99-L103 PolarHBondContact O-N 2.89Å |
| 100 | A | 56.5 | Low | 56.3 | Low | 63 Ų | 63 | 135.5 Ų | 135.5 | 52% | 0.521 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -67 | -31.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | K98 C104 | K98-A100 VanDerWaalsContact C-N 3.33Å; K98-A100 PolarHBondContact O-N 3.01Å; A100-C104 PolarHBondContact O-N 3.03Å |
| 101 | K | 58.5 | Low | 57.5 | Low | 159 Ų | 159 | 137.9 Ų | 137.9 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -73.7 | -28.6 | 176.5 | -72.7 | -172.5 | 175.8 | -172.6 | 0 | 113.1 | K98 K99 | K98-K101 PolarHBondContact O-N 3.18Å; K98-K101 VanDerWaalsContact O-N 3.16Å; K99-K101 VanDerWaalsContact C-N 3.33Å; K99-K101 PolarHBondContact O-N 3.45Å |
| 102 | E | 56.6 | Low | 58.5 | Low | 125 Ų | 125 | 139.8 Ų | 139.8 | 58% | 0.584 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -65.6 | -51.1 | 172.3 | -120 | 77.5 | -123.3 | 0 | 0 | 111.2 | K98 K99 C104 K105 Q106 | K98-E102 PolarHBondContact O-N 3.3Å; K99-E102 PolarHBondContact O-N 3.12Å; E102-C104 VanDerWaalsContact C-N 3.32Å; E102-C104 PolarHBondContact O-N 3.02Å; E102-K105 PolarHBondContact O-N 2.95Å; E102-K105 VanDerWaalsContact O-N 3.1Å; E102-Q106 PolarHBondContact O-N 3.4Å |
| 103 | L | 56.7 | Low | 59.5 | Low | 90 Ų | 90 | 133.8 Ų | 133.8 | 47% | 0.471 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -63.2 | -37.4 | -177.5 | -69.3 | 170.9 | 0 | 0 | 0 | 112.4 | K99 K105 Q106 F107 | K99-L103 PolarHBondContact O-N 2.89Å; L103-K105 PolarHBondContact O-N 2.89Å; L103-Q106 WeakPolarHBondContact O-CB 3.33Å; L103-Q106 PolarHBondContact O-N 3.44Å; L103-F107 HydrophobicContact CB-CE2 4.46Å; L103-F107 VanDerWaalsContact O-CD2 3.29Å; L103-F107 WeakPolarHBondContact O-CD2 3.11Å; L103-F107 PolarHBondContact O-N 2.8Å |
| 104 | C | 56.4 | Low | 60.7 | Low | 96 Ų | 96 | 131.9 Ų | 131.9 | 65% | 0.649 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -64 | -22.8 | 177.2 | -162.9 | 0 | 0 | 0 | 0 | 113.5 | A100 E102 | A100-C104 PolarHBondContact O-N 3.03Å; E102-C104 VanDerWaalsContact C-N 3.32Å; E102-C104 PolarHBondContact O-N 3.02Å |
| 105 | K | 60.3 | Low | 61.7 | Low | 179 Ų | 179 | 132.8 Ų | 132.8 | 78% | 0.778 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -81.7 | -23.4 | 170 | -71 | -178 | 175.2 | -178.4 | 0 | 113.3 | E102 L103 | E102-K105 PolarHBondContact O-N 2.95Å; E102-K105 VanDerWaalsContact O-N 3.1Å; L103-K105 PolarHBondContact O-N 2.89Å |
| 106 | Q | 58.8 | Low | 62.6 | Low | 154 Ų | 154 | 134.6 Ų | 134.6 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -86.6 | -35 | -176.5 | -135.7 | 173.9 | 5.3 | 0 | 0 | 111.8 | E102 L103 K108 | E102-Q106 PolarHBondContact O-N 3.4Å; L103-Q106 WeakPolarHBondContact O-CB 3.33Å; L103-Q106 PolarHBondContact O-N 3.44Å; Q106-K108 PolarHBondContact O-N 2.98Å |
| 107 | F | 57.9 | Low | 63.3 | Low | 151 Ų | 151 | 130.7 Ų | 130.7 | 66% | 0.662 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -74.6 | 91.4 | 166.1 | -69.7 | -72.5 | 0 | 0 | 0 | 109.7 | L103 V109 | L103-F107 HydrophobicContact CB-CE2 4.46Å; L103-F107 VanDerWaalsContact O-CD2 3.29Å; L103-F107 WeakPolarHBondContact O-CD2 3.11Å; L103-F107 PolarHBondContact O-N 2.8Å; F107-V109 PolarHBondContact O-N 3.2Å |
| 108 | K | 61.2 | Low | 63.9 | Low | 200 Ų | 200 | 135.5 Ų | 135.5 | 87% | 0.87 | 69% | 0.69 | S | S | * | * | | | trans | -61.3 | 87.5 | 168.2 | -168.8 | 175.7 | -175.2 | 179.2 | 0 | 108.4 | Q106 W110 | Q106-K108 PolarHBondContact O-N 2.98Å; K108-W110 PolarHBondContact O-N 3.14Å |
| 109 | V | 64.5 | Low | 64.2 | Low | 103 Ų | 103 | 133.6 Ų | 133.6 | 62% | 0.624 | 69% | 0.692 | S | S | * | * | | | trans | -52 | 116.4 | 177.6 | 176.6 | 0 | 0 | 0 | 0 | 107.3 | F107 N111 | F107-V109 PolarHBondContact O-N 3.2Å; V109-N111 PolarHBondContact O-N 3.38Å |
| 110 | W | 67.3 | Low | 64.6 | Low | 215 Ų | 215 | 132.1 Ų | 132.1 | 81% | 0.814 | 69% | 0.687 | S | S | * | * | | | trans | -69 | 90.6 | 172.4 | -173.5 | -87.9 | 0 | 0 | 0 | 106.8 | K108 Y112 | K108-W110 PolarHBondContact O-N 3.14Å; W110-Y112 VanDerWaalsContact C-N 3.26Å; W110-Y112 PolarHBondContact O-N 3.24Å |
| 111 | N | 71.5 | Confident | 65.1 | Low | 143 Ų | 143 | 135.1 Ų | 135.1 | 77% | 0.765 | 70% | 0.699 | S | S | * | * | | | trans | -61.1 | 96.7 | 169.6 | -79.9 | -44.8 | 0 | 0 | 0 | 106.8 | V109 | V109-N111 PolarHBondContact O-N 3.38Š|
| 112 | Y | 70.1 | Confident | 65.4 | Low | 188 Ų | 188 | 133.8 Ų | 133.8 | 74% | 0.737 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 121.5 | 173.8 | -165.8 | -91.8 | 0 | 0 | 0 | 106.9 | W110 G114 | W110-Y112 VanDerWaalsContact C-N 3.26Å; W110-Y112 PolarHBondContact O-N 3.24Å; Y112-G114 PolarHBondContact O-N 3.39Å; Y112-G114 VanDerWaalsContact O-N 3.14Å |
| 113 | P | 74.4 | Confident | 65.4 | Low | 96 Ų | 96 | 133.1 Ų | 133.1 | 62% | 0.623 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 125.1 | 174.4 | 25.4 | -32.1 | 0 | 0 | 0 | 107 | | |
| 114 | G | 76.2 | Confident | 65.3 | Low | 59 Ų | 59 | 135.9 Ų | 135.9 | 61% | 0.608 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -53 | 150.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y112 | Y112-G114 PolarHBondContact O-N 3.39Å; Y112-G114 VanDerWaalsContact O-N 3.14Å |
| 115 | P | 74.1 | Confident | 65.3 | Low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 137.2 | -179.8 | 24.2 | -34.1 | 0 | 0 | 0 | 109.6 | S117 | P115-S117 PolarHBondContact O-N 3.11Å; P115-S117 VanDerWaalsContact O-N 3.09Å |
| 116 | P | 72.8 | Confident | 64.7 | Low | 126 Ų | 126 | 134 Ų | 134 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 120.1 | -174.9 | 22.9 | -33.1 | 0 | 0 | 0 | 109.8 | F118 | P116-F118 PolarHBondContact O-N 2.88Š|
| 117 | S | 68.6 | Low | 64.2 | Low | 100 Ų | 100 | 131.6 Ų | 131.6 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | | | trans | -71.3 | 94.6 | 175.7 | 57.6 | 0 | 0 | 0 | 0 | 108.9 | P115 T119 | P115-S117 PolarHBondContact O-N 3.11Å; P115-S117 VanDerWaalsContact O-N 3.09Å; S117-T119 VanDerWaalsContact C-N 3.29Å; S117-T119 PolarHBondContact O-N 3.13Å |
| 118 | F | 65.2 | Low | 63.8 | Low | 159 Ų | 159 | 130.2 Ų | 130.2 | 70% | 0.697 | 73% | 0.733 | S | S | * | * | | | trans | -74.4 | 84.2 | 176.3 | -159.1 | -96.8 | 0 | 0 | 0 | 109.6 | P116 E120 | P116-F118 PolarHBondContact O-N 2.88Å; F118-E120 VanDerWaalsContact C-N 3.25Å; F118-E120 HydrophobicContact CD1-CB 4.06Å; F118-E120 HydrophobicContact CE1-CB 3.58Å; F118-E120 HydrophobicContact CE2-CB 4.38Å; F118-E120 HydrophobicContact CZ-CB 3.76Å; F118-E120 WeakPolarHBondContact CZ-OE2 3.49Å; F118-E120 PolarHBondContact O-N 3.3Å |
| 119 | T | 63.9 | Low | 63.1 | Low | 118 Ų | 118 | 127.7 Ų | 127.7 | 72% | 0.724 | 73% | 0.73 | S | S | * | * | | | trans | -92.3 | 29 | 177.4 | 58.1 | 0 | 0 | 0 | 0 | 112 | S117 T121 | S117-T119 VanDerWaalsContact C-N 3.29Å; S117-T119 PolarHBondContact O-N 3.13Å; T119-T121 PolarHBondContact O-N 3.15Å |
| 120 | E | 65.6 | Low | 62.5 | Low | 136 Ų | 136 | 129.5 Ų | 129.5 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | | | trans | -83.9 | 97.3 | -177.7 | -158.1 | 165.9 | -153.8 | 0 | 0 | 109.9 | F118 I122 | F118-E120 VanDerWaalsContact C-N 3.25Å; F118-E120 HydrophobicContact CD1-CB 4.06Å; F118-E120 HydrophobicContact CE1-CB 3.58Å; F118-E120 HydrophobicContact CE2-CB 4.38Å; F118-E120 HydrophobicContact CZ-CB 3.76Å; F118-E120 WeakPolarHBondContact CZ-OE2 3.49Å; F118-E120 PolarHBondContact O-N 3.3Å; E120-I122 PolarHBondContact O-N 3.01Å |
| 121 | T | 66.1 | Low | 61.6 | Low | 126 Ų | 126 | 124.8 Ų | 124.8 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | trans | -70.3 | 94.6 | 176.4 | -53.5 | 0 | 0 | 0 | 0 | 109.8 | T119 S123 | T119-T121 PolarHBondContact O-N 3.15Å; T121-S123 PolarHBondContact O-N 3.34Å |
| 122 | I | 64.8 | Low | 60.3 | Low | 132 Ų | 132 | 123.8 Ų | 123.8 | 68% | 0.677 | 74% | 0.742 | S | S | * | * | | | trans | -67.5 | 114.1 | 174 | -48.2 | 175.8 | 0 | 0 | 0 | 108.7 | E120 I124 | E120-I122 PolarHBondContact O-N 3.01Å; I122-I124 HydrophobicContact CG2-CG1 4.35Å; I122-I124 PolarHBondContact O-N 3.32Å |
| 123 | S | 57 | Low | 59.5 | Low | 111 Ų | 111 | 122.9 Ų | 122.9 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | | | trans | -76.4 | 86 | 176.4 | -60.8 | 0 | 0 | 0 | 0 | 110.6 | T121 P125 | T121-S123 PolarHBondContact O-N 3.34Å; S123-P125 WeakPolarHBondContact O-CD 3.38Å |
| 124 | I | 54.7 | Low | 58.3 | Low | 148 Ų | 148 | 120.9 Ų | 120.9 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | | | trans | -73.4 | 122.7 | 179.2 | -49.9 | 177.1 | 0 | 0 | 0 | 109.3 | I122 S126 | I122-I124 HydrophobicContact CG2-CG1 4.35Å; I122-I124 PolarHBondContact O-N 3.32Å; I124-S126 PolarHBondContact O-N 2.88Å |
| 125 | P | 56.7 | Low | 56.7 | Low | 110 Ų | 110 | 123.5 Ų | 123.5 | 71% | 0.714 | 75% | 0.754 | S | S | * | * | | | trans | -66.8 | 128.3 | 175.8 | 26.5 | -32.7 | 0 | 0 | 0 | 110.7 | S123 S127 | S123-P125 WeakPolarHBondContact O-CD 3.38Å; P125-S127 PolarHBondContact O-N 2.82Å; P125-S127 VanDerWaalsContact O-N 3.11Å |
| 126 | S | 47.3 | Very low | 55.8 | Low | 124 Ų | 124 | 127 Ų | 127 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | | | trans | -67.5 | 104 | -179.1 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | I124 | I124-S126 PolarHBondContact O-N 2.88Š|
| 127 | S | 48.9 | Very low | 54.5 | Low | 104 Ų | 104 | 125.7 Ų | 125.7 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | -152.1 | 91.5 | 173.4 | -68 | 0 | 0 | 0 | 0 | 111.3 | P125 | P125-S127 PolarHBondContact O-N 2.82Å; P125-S127 VanDerWaalsContact O-N 3.11Å |
| 128 | T | 49 | Very low | 53.2 | Low | 122 Ų | 122 | 128.3 Ų | 128.3 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | 52.1 | 125.4 | 135.5 | -46.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 129 | D | 46 | Very low | 52.2 | Low | 148 Ų | 148 | 124.9 Ų | 124.9 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | 65 | 90.2 | 158.7 | -61.5 | -19.6 | 0 | 0 | 0 | 120.2 | | |
| 130 | T | 52.1 | Low | 51.6 | Low | 140 Ų | 140 | 128.1 Ų | 128.1 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | | | trans | -145.9 | 145.2 | 133.5 | 30.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 131 | P | 49 | Very low | 50.7 | Low | 117 Ų | 117 | 131.2 Ų | 131.2 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | trans | -74.6 | 145.4 | -173.7 | 29.7 | -34.9 | 0 | 0 | 0 | 112.9 | I133 | P131-I133 PolarHBondContact O-N 3.18Å; P131-I133 VanDerWaalsContact O-N 3.15Å |
| 132 | S | 44.4 | Very low | 49.8 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | | | trans | -53.1 | 111.3 | 178.8 | -176.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 133 | I | 52.5 | Low | 48.9 | Very low | 170 Ų | 170 | 136.3 Ų | 136.3 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | | | trans | -91.6 | 102.5 | 162.7 | -56.4 | 177.2 | 0 | 0 | 0 | 106.6 | P131 | P131-I133 PolarHBondContact O-N 3.18Å; P131-I133 VanDerWaalsContact O-N 3.15Å |
| 134 | G | 50.1 | Low | 48.2 | Very low | 54 Ų | 54 | 134.2 Ų | 134.2 | 56% | 0.557 | 80% | 0.804 | S | S | * | * | | | trans | -73.4 | 160.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 135 | S | 42.6 | Very low | 47.5 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | 45.2 | 92.7 | 161.6 | -66.8 | 0 | 0 | 0 | 0 | 118.2 | S137 | S135-S137 PolarHBondContact O-N 3.44Š|
| 136 | L | 54.5 | Low | 47.4 | Very low | 188 Ų | 188 | 133.9 Ų | 133.9 | 98% | 0.984 | 82% | 0.815 | S | S | * | * | | | trans | -70.6 | 68.6 | 155.8 | -66 | 170.6 | 0 | 0 | 0 | 110.6 | | |
| 137 | S | 46 | Very low | 47.3 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 69% | 0.685 | 82% | 0.815 | S | S | * | * | | | trans | -150.6 | 77.8 | 178.2 | -71.8 | 0 | 0 | 0 | 0 | 111.9 | S135 | S135-S137 PolarHBondContact O-N 3.44Š|
| 138 | D | 41 | Very low | 46.6 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | | | trans | -178.9 | 84.3 | 136.5 | -105.9 | -43.8 | 0 | 0 | 0 | 110.3 | K140 | D138-K140 PolarHBondContact O-N 3.13Š|
| 139 | G | 45.1 | Very low | 46.7 | Very low | 88 Ų | 88 | 136.6 Ų | 136.6 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | | | trans | -77.1 | 64.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 140 | K | 49.9 | Very low | 46.4 | Very low | 186 Ų | 186 | 136.7 Ų | 136.7 | 81% | 0.809 | 82% | 0.815 | S | S | * | * | | | trans | -89.5 | 108.9 | 165.9 | -84.7 | -167.6 | 174.1 | -178.5 | 0 | 110.2 | D138 S142 | D138-K140 PolarHBondContact O-N 3.13Å; K140-S142 PolarHBondContact O-N 2.79Å; K140-S142 VanDerWaalsContact O-N 3.13Å |
| 141 | E | 47.2 | Very low | 45.9 | Very low | 201 Ų | 201 | 137.4 Ų | 137.4 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | | | trans | -56.8 | 115.3 | 172.5 | -73.4 | 177.3 | 91.5 | 0 | 0 | 111.1 | | |
| 142 | S | 47.6 | Very low | 45.4 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | | | trans | -87.7 | 130.5 | 173.9 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | K140 G144 | K140-S142 PolarHBondContact O-N 2.79Å; K140-S142 VanDerWaalsContact O-N 3.13Å; S142-G144 PolarHBondContact O-N 2.95Å |
| 143 | R | 45.6 | Very low | 45.1 | Very low | 250 Ų | 250 | 136.8 Ų | 136.8 | 94% | 0.943 | 81% | 0.807 | S | S | * | * | | | trans | -60.4 | 121.5 | 166.2 | -76.9 | 175.9 | 162.6 | -173.7 | -5.7 | 109.7 | | |
| 144 | G | 43 | Very low | 44.7 | Very low | 68 Ų | 68 | 137.8 Ų | 137.8 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | | | trans | -171.7 | 105.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S142 | S142-G144 PolarHBondContact O-N 2.95Š|
| 145 | S | 39.7 | Very low | 44.4 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 131 | -179.9 | -47.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 146 | P | 55.2 | Low | 44.7 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 142.8 | 165.3 | 31.2 | -31.6 | 0 | 0 | 0 | 110.8 | | |
| 147 | K | 44.2 | Very low | 44.3 | Very low | 201 Ų | 201 | 136.9 Ų | 136.9 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 151.1 | -175.6 | -170.9 | 176.2 | 179.8 | -179.4 | 0 | 110.6 | | |
| 148 | S | 34.3 | Very low | 44.6 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | | | trans | -28.5 | 132.4 | 175.8 | -169.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 149 | A | 50.9 | Low | 45.1 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | | | trans | -128.9 | 126.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 150 | E | 40.6 | Very low | 44.6 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 70% | 0.696 | 81% | 0.808 | S | S | * | * | | | trans | -85.1 | 160.6 | -171.7 | -106.3 | 178.1 | 94.8 | 0 | 0 | 113.5 | | |
| 151 | Q | 40.9 | Very low | 44.5 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | | | trans | 51.6 | 121.3 | 150.6 | -60.4 | 173.5 | 31.9 | 0 | 0 | 118.8 | | |
| 152 | T | 38.6 | Very low | 44.3 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | | | | 173.6 | 144.4 | 98.6 | -67 | 0 | 0 | 0 | 0 | 110.7 | | |
| 153 | A | 38.7 | Very low | 44.4 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -31.9 | 142.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 154 | E | 44 | Very low | 44.3 | Very low | 191 Ų | 191 | 132.6 Ų | 132.6 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | | | trans | -143.3 | 140.7 | 131 | -157.9 | 172.5 | 144.7 | 0 | 0 | 111 | | |
| 155 | A | 42.4 | Very low | 44.5 | Very low | 91 Ų | 91 | 137.8 Ų | 137.8 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | trans | -123.6 | 116.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 156 | A | 50.2 | Low | 44.8 | Very low | 85 Ų | 85 | 141.6 Ų | 141.6 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | | | trans | -156.7 | 95.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 157 | I | 46.2 | Very low | 44.5 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 82% | 0.821 | 79% | 0.786 | S | S | * | * | | | | 76 | 122.7 | 83.8 | -67.3 | 159.7 | 0 | 0 | 0 | 113.8 | | |
| 158 | A | 51.1 | Low | 44.5 | Very low | 89 Ų | 89 | 145.4 Ų | 145.4 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | trans | 70 | 143.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 159 | K | 51 | Low | 45 | Very low | 195 Ų | 195 | 145.4 Ų | 145.4 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | | | cis | -155.5 | 146.3 | 7.5 | -135.9 | 167.3 | -176.1 | 176.3 | 0 | 109.6 | | |
| 160 | S | 35.8 | Very low | 44.7 | Very low | 126 Ų | 126 | 149.3 Ų | 149.3 | 88% | 0.881 | 79% | 0.794 | S | S | * | * | | | trans | -138.5 | 116.4 | 174.8 | -167.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 161 | Q | 48.3 | Very low | 44.9 | Very low | 158 Ų | 158 | 147.5 Ų | 147.5 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | | | trans | -172.1 | 151 | 175.1 | -89.9 | -171.1 | -74.5 | 0 | 0 | 104.6 | | |
| 162 | E | 41.3 | Very low | 45 | Very low | 133 Ų | 133 | 146 Ų | 146 | 62% | 0.621 | 80% | 0.801 | S | S | * | * | | | cis | -163.9 | 167.7 | -14.8 | -122.3 | -177.4 | 97.9 | 0 | 0 | 105.4 | | |
| 163 | K | 50.8 | Low | 45.3 | Very low | 146 Ų | 146 | 144 Ų | 144 | 64% | 0.635 | 80% | 0.798 | S | S | * | * | | | cis | -152.7 | 164 | 6.5 | -159.8 | -168.2 | -159.6 | 79.8 | 0 | 108.5 | | |
| 164 | N | 43 | Very low | 45.6 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | | | trans | -89.3 | 130.6 | 156.9 | -104.4 | -51.4 | 0 | 0 | 0 | 109.4 | | |
| 165 | E | 48.2 | Very low | 45.7 | Very low | 178 Ų | 178 | 143.4 Ų | 143.4 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -163.9 | 132.1 | 146 | -117.5 | 170.8 | 149.2 | 0 | 0 | 113.1 | | |
| 166 | K | 44.3 | Very low | 46 | Very low | 203 Ų | 203 | 143.6 Ų | 143.6 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -151.6 | 94.1 | -179.3 | -167.9 | -178.5 | -169.4 | 178.9 | 0 | 110.2 | | |
| 167 | K | 50.1 | Low | 45.7 | Very low | 206 Ų | 206 | 149.2 Ų | 149.2 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | | | trans | -162.3 | 111.2 | 163.6 | -111.2 | 161.1 | -171.7 | 177.1 | 0 | 114.2 | | |
| 168 | K | 43.6 | Very low | 45.7 | Very low | 203 Ų | 203 | 146.6 Ų | 146.6 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | | 63.4 | 98.7 | 124.3 | -163.9 | -175 | -173.8 | -173.6 | 0 | 119.5 | | |
| 169 | A | 44.1 | Very low | 45.4 | Very low | 104 Ų | 104 | 148.3 Ų | 148.3 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | | -166.6 | 125.9 | 125.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 170 | Q | 45.6 | Very low | 45 | Very low | 184 Ų | 184 | 144.5 Ų | 144.5 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | -91.3 | -179 | 160.5 | -106.8 | -170 | -48.3 | 0 | 0 | 108.5 | | |
| 171 | P | 45.4 | Very low | 45.5 | Very low | 110 Ų | 110 | 146.4 Ų | 146.4 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | | | cis | -132.4 | 177.8 | -39.7 | 37.3 | -21.9 | 0 | 0 | 0 | 111.4 | | |
| 172 | S | 43 | Very low | 45.3 | Very low | 123 Ų | 123 | 148 Ų | 148 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | -155.8 | 149.4 | 139.8 | -158.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 173 | A | 44.6 | Very low | 45.3 | Very low | 92 Ų | 92 | 149.9 Ų | 149.9 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | | | trans | -130 | 136.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 174 | E | 44.7 | Very low | 44.8 | Very low | 189 Ų | 189 | 148.2 Ų | 148.2 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | -152.1 | 141.9 | 162.4 | -153.8 | 160.3 | 130 | 0 | 0 | 113 | | |
| 175 | A | 46.1 | Very low | 45.1 | Very low | 83 Ų | 83 | 146.6 Ų | 146.6 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | | | trans | 35.8 | 123.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 176 | A | 49.5 | Very low | 45 | Very low | 95 Ų | 95 | 142.7 Ų | 142.7 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | | 58.6 | 129.7 | 63.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 177 | K | 43.4 | Very low | 45.1 | Very low | 202 Ų | 202 | 137.7 Ų | 137.7 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | | | cis | -157.6 | 174.1 | 35 | -121.1 | -174.9 | 174.5 | 179.5 | 0 | 111.3 | | |
| 178 | P | 44.7 | Very low | 44.9 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | | | trans | -105.5 | -159.4 | -176.8 | 42.3 | -34.1 | 0 | 0 | 0 | 114.2 | | |
| 179 | T | 45.3 | Very low | 44.6 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | | | trans | 76.2 | 144.2 | -177.1 | 7.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 180 | D | 44.2 | Very low | 44.9 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 62% | 0.615 | 79% | 0.791 | S | S | * | * | | | cis | -157.7 | 167 | 30.6 | -128.9 | -37.4 | 0 | 0 | 0 | 115.2 | | |
| 181 | K | 45.7 | Very low | 44.8 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 73% | 0.726 | 79% | 0.791 | S | S | * | * | | | trans | -6.8 | 140.7 | 165.3 | -59.3 | 148 | -169.6 | 116 | 0 | 123.2 | | |
| 182 | Q | 43.5 | Very low | 44.7 | Very low | 191 Ų | 191 | 133.2 Ų | 133.2 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | | | | -174.1 | 114.3 | 122.3 | -143.6 | 164.5 | 1.2 | 0 | 0 | 108.3 | | |
| 183 | E | 42 | Very low | 44.8 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | | 93.3 | 84.7 | 54.7 | -162.6 | 177.6 | 138.6 | 0 | 0 | 115.8 | | |
| 184 | S | 38.9 | Very low | 44.5 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | | 55.3 | 176.1 | 120.5 | -121.3 | 0 | 0 | 0 | 0 | 122 | | |
| 185 | P | 49.4 | Very low | 44.7 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | | | | -132.5 | 162 | -112.3 | 39.8 | -19.9 | 0 | 0 | 0 | 117.9 | | |
| 186 | A | 46.9 | Very low | 44.7 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | | | trans | -155 | 124.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 187 | A | 46.1 | Very low | 44.6 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | | | | 78.3 | 83.7 | 54.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 188 | V | 46.1 | Very low | 44.8 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | | | trans | -142.5 | 112.7 | 148.8 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 189 | C | 37.2 | Very low | 45.4 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | | | trans | -76 | 148.3 | 168.9 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 190 | K | 50.2 | Low | 45.6 | Very low | 203 Ų | 203 | 140.8 Ų | 140.8 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | | | trans | -168.2 | 100.8 | 146.7 | -106.4 | 155.8 | -171.8 | -177.1 | 0 | 113.1 | | |
| 191 | T | 43 | Very low | 46.2 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | | | trans | -122.1 | 162.2 | 149.1 | -9.9 | 0 | 0 | 0 | 0 | 104.8 | | |
| 192 | P | 43.3 | Very low | 46.7 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | | | cis | -123.9 | 175.1 | -7 | 41.5 | -28.1 | 0 | 0 | 0 | 113.1 | | |
| 193 | Q | 46.3 | Very low | 47.3 | Very low | 191 Ų | 191 | 135 Ų | 135 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | | | trans | -157.4 | 115.4 | 146.1 | -124.7 | 171.7 | -0 | 0 | 0 | 112.8 | | |
| 194 | T | 37.3 | Very low | 48.3 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 87% | 0.871 | 81% | 0.812 | S | S | * | * | | | trans | -86 | 135 | 157.2 | 41.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 195 | S | 49.5 | Very low | 49.4 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | | | trans | -145.1 | 149 | 168.4 | 58.4 | 0 | 0 | 0 | 0 | 111 | | |
| 196 | E | 47 | Very low | 50 | Low | 194 Ų | 194 | 143.4 Ų | 143.4 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | | | trans | -89.9 | 159.9 | -157.9 | -58 | 156.3 | 108.4 | 0 | 0 | 115.1 | | |
| 197 | A | 46.6 | Very low | 50.9 | Low | 96 Ų | 96 | 148.9 Ų | 148.9 | 79% | 0.793 | 83% | 0.826 | S | S | * | * | | | trans | 177.4 | 84.2 | 150.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 198 | D | 46.8 | Very low | 51.6 | Low | 131 Ų | 131 | 151.5 Ų | 151.5 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | | | | 54.2 | 110.6 | 78.9 | -164.6 | 10.2 | 0 | 0 | 0 | 115 | T200 | D198-T200 PolarHBondContact OD1-OG1 3.03Š|
| 199 | K | 57.6 | Low | 52.2 | Low | 201 Ų | 201 | 157.2 Ų | 157.2 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | | | trans | -168.2 | 79.7 | 143.2 | -105.1 | 160.3 | -171.2 | 177.4 | 0 | 112.4 | | |
| 200 | T | 51.3 | Low | 53 | Low | 104 Ų | 104 | 159.1 Ų | 159.1 | 64% | 0.638 | 84% | 0.841 | S | S | * | * | | | | 33.2 | 149.8 | 126.8 | -4.8 | 0 | 0 | 0 | 0 | 122.7 | D198 | D198-T200 PolarHBondContact OD1-OG1 3.03Š|
| 201 | L | 56.5 | Low | 53.1 | Low | 164 Ų | 164 | 156.8 Ų | 156.8 | 86% | 0.859 | 84% | 0.839 | S | S | * | * | | | trans | 77.7 | 145.9 | 160.4 | -59.8 | 157 | 0 | 0 | 0 | 117.1 | | |
| 202 | S | 54.7 | Low | 53.7 | Low | 118 Ų | 118 | 157.7 Ų | 157.7 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | | | cis | -169.6 | 161.6 | -20.8 | -173 | 0 | 0 | 0 | 0 | 108 | | |
| 203 | G | 56.2 | Low | 54.3 | Low | 69 Ų | 69 | 160.4 Ų | 160.4 | 71% | 0.711 | 84% | 0.844 | S | S | * | * | | | trans | 128.3 | 84.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 204 | K | 63.9 | Low | 54.8 | Low | 208 Ų | 208 | 158.5 Ų | 158.5 | 90% | 0.904 | 84% | 0.841 | S | S | * | * | | | trans | -76.9 | 131.2 | 158.1 | -69.9 | 176 | 177.8 | 173.3 | 0 | 109 | | |
| 205 | M | 60.9 | Low | 56 | Low | 197 Ų | 197 | 159.6 Ų | 159.6 | 97% | 0.97 | 84% | 0.839 | S | S | * | * | | | trans | -115.4 | 117.2 | 154.2 | -71 | -168.7 | 87.7 | 0 | 0 | 109.4 | | |
| 206 | K | 63.1 | Low | 56.4 | Low | 175 Ų | 175 | 162.9 Ų | 162.9 | 76% | 0.761 | 84% | 0.842 | S | S | * | * | | | trans | -107.1 | 126.9 | 173.7 | 178.3 | -175.5 | 179.4 | -171.3 | 0 | 107 | | |
| 207 | K | 65 | Low | 57.2 | Low | 212 Ų | 212 | 160.5 Ų | 160.5 | 92% | 0.922 | 84% | 0.837 | S | S | * | * | | | trans | -125.2 | 120 | 166.4 | -157.3 | 171.3 | -174.2 | 178.8 | 0 | 108 | | |
| 208 | Q | 61.2 | Low | 58 | Low | 151 Ų | 151 | 165.8 Ų | 165.8 | 71% | 0.706 | 84% | 0.84 | S | S | * | * | | | trans | -80.9 | 144.2 | 180 | -76.3 | 172.9 | -93.8 | 0 | 0 | 110.6 | | |
| 209 | Q | 59.4 | Low | 59.1 | Low | 260 Ų | 260 | 169 Ų | 169 | 100% | 1.215 | 85% | 0.853 | S | S | * | * | | | | -91.7 | 0 | 123.6 | -81 | -176.2 | -29.3 | 0 | 0 | 107.6 | | |