| 1 | M | 50.2 | Low | 54.4 | Low | 215 Ų | 215 | 135.1 Ų | 135.1 | 100% | 1.059 | 71% | 0.706 | S | S | * | * | | | | 0 | -39.3 | 0 | -59.6 | -51.7 | -154.7 | 0 | 0 | 113.8 | L3 | M1-L3 PolarHBondContact O-N 3.42Å; M1-L3 VanDerWaalsContact O-N 3.08Å |
| 2 | K | 52.5 | Low | 53.9 | Low | 199 Ų | 199 | 134.4 Ų | 134.4 | 87% | 0.865 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -63 | -7.9 | 178.7 | -66.1 | 178.2 | 176.8 | 177.8 | 0 | 116.6 | | |
| 3 | L | 58.7 | Low | 52.8 | Low | 150 Ų | 150 | 129.9 Ų | 129.9 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -91 | -24.4 | -176.4 | -78.1 | 162.1 | 0 | 0 | 0 | 114.2 | M1 | M1-L3 PolarHBondContact O-N 3.42Å; M1-L3 VanDerWaalsContact O-N 3.08Å |
| 4 | Y | 55.6 | Low | 51.8 | Low | 198 Ų | 198 | 134.6 Ų | 134.6 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -81.5 | -27.5 | -178.7 | -84.7 | -85.8 | 0 | 0 | 0 | 113.4 | L8 | Y4-L8 PolarHBondContact O-N 3.3Å |
| 5 | L | 61.9 | Low | 50.6 | Low | 127 Ų | 127 | 132.1 Ų | 132.1 | 67% | 0.665 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -78.1 | -30.5 | -179.2 | -145.4 | 111.9 | 0 | 0 | 0 | 112.8 | L8 L9 | L5-L8 PolarHBondContact O-N 3.4Å; L5-L9 HydrophobicContact CD2-CD1 4.43Å; L5-L9 PolarHBondContact O-N 2.95Å |
| 6 | A | 58.6 | Low | 49.4 | Very low | 53 Ų | 53 | 127.1 Ų | 127.1 | 44% | 0.438 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -72.3 | -34.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L8 L9 F10 | A6-L8 VanDerWaalsContact C-N 3.3Å; A6-L8 PolarHBondContact O-N 2.94Å; A6-L9 PolarHBondContact O-N 3.07Å; A6-F10 PolarHBondContact O-N 3.44Å |
| 7 | A | 56.9 | Low | 48.4 | Very low | 68 Ų | 68 | 129.4 Ų | 129.4 | 56% | 0.562 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -66.1 | -32.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G11 | A7-G11 PolarHBondContact O-N 3.01Å |
| 8 | L | 57.2 | Low | 47.8 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 59% | 0.592 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -75.1 | -33.1 | 177.3 | -129 | 158 | 0 | 0 | 0 | 112.4 | Y4 L5 A6 I12 | Y4-L8 PolarHBondContact O-N 3.3Å; L5-L8 PolarHBondContact O-N 3.4Å; A6-L8 VanDerWaalsContact C-N 3.3Å; A6-L8 PolarHBondContact O-N 2.94Å; L8-I12 HydrophobicContact CD2-CD1 3.67Å |
| 9 | L | 53.3 | Low | 47.1 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 64% | 0.644 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -78.6 | -33.1 | 176.7 | -72.2 | 170.3 | 0 | 0 | 0 | 113.4 | L5 A6 | L5-L9 HydrophobicContact CD2-CD1 4.43Å; L5-L9 PolarHBondContact O-N 2.95Å; A6-L9 PolarHBondContact O-N 3.07Å |
| 10 | F | 47.8 | Very low | 46.4 | Very low | 185 Ų | 185 | 135.2 Ų | 135.2 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -78.7 | -21 | 172 | -99.9 | -90.9 | 0 | 0 | 0 | 113.3 | A6 | A6-F10 PolarHBondContact O-N 3.44Å |
| 11 | G | 45.2 | Very low | 45.8 | Very low | 55 Ų | 55 | 140.2 Ų | 140.2 | 57% | 0.567 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -79.9 | -18.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | A7 | A7-G11 PolarHBondContact O-N 3.01Å |
| 12 | I | 48.6 | Very low | 44.9 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 65% | 0.651 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -106.7 | -15.5 | -175.7 | -63.8 | 177.6 | 0 | 0 | 0 | 113.1 | L8 F14 | L8-I12 HydrophobicContact CD2-CD1 3.67Å; I12-F14 PolarHBondContact O-N 3.47Å |
| 13 | A | 40 | Very low | 43.9 | Very low | 76 Ų | 76 | 138.8 Ų | 138.8 | 63% | 0.628 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -2.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 14 | F | 38 | Very low | 42.6 | Very low | 195 Ų | 195 | 135.3 Ų | 135.3 | 86% | 0.855 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.9 | 29.8 | -178.4 | -95.7 | -83.3 | 0 | 0 | 0 | 114.1 | I12 | I12-F14 PolarHBondContact O-N 3.47Š|
| 15 | A | 35 | Very low | 41.4 | Very low | 97 Ų | 97 | 133 Ų | 133 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | | | trans | -96.1 | 49.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 16 | G | 30.6 | Very low | 39.8 | Very low | 53 Ų | 53 | 130 Ų | 130 | 55% | 0.546 | 74% | 0.742 | S | S | . | * | S | Bend | trans | -130 | 103 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 17 | D | 33.1 | Very low | 38.6 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | | | trans | 64 | 116.6 | 163.6 | -57.4 | -28.7 | 0 | 0 | 0 | 120.1 | | |
| 18 | D | 36.6 | Very low | 37.3 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | | | trans | -55.7 | 132.1 | 175.3 | -62.4 | -61.3 | 0 | 0 | 0 | 114.3 | | |
| 19 | D | 34.2 | Very low | 36.2 | Very low | 139 Ų | 139 | 138.1 Ų | 138.1 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | trans | 38.8 | 104.2 | 132 | -70.2 | -26.7 | 0 | 0 | 0 | 120.5 | | |
| 20 | K | 34.5 | Very low | 35.5 | Very low | 212 Ų | 212 | 141.7 Ų | 141.7 | 92% | 0.922 | 79% | 0.793 | S | S | * | * | | | trans | -143.5 | 75.7 | 132.8 | -67.8 | -168 | -177.1 | 171.1 | 0 | 111.7 | | |
| 21 | R | 33.5 | Very low | 35 | Very low | 240 Ų | 240 | 142 Ų | 142 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | | | trans | -86.4 | 110.8 | 161 | -80.8 | -174 | 175.8 | -167.7 | 0.1 | 109.9 | K23 | R21-K23 PolarHBondContact O-N 3.47Š|
| 22 | L | 32.1 | Very low | 34.7 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 95% | 0.948 | 79% | 0.794 | S | S | * | * | | | trans | -51.8 | 119.7 | 162.2 | -86.3 | 116.8 | 0 | 0 | 0 | 110.4 | | |
| 23 | K | 31 | Very low | 34.3 | Very low | 203 Ų | 203 | 145.5 Ų | 145.5 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -121 | 101.9 | 163.3 | -106.7 | -178.9 | 177.6 | 175.8 | 0 | 108 | R21 | R21-K23 PolarHBondContact O-N 3.47Š|
| 24 | G | 31.8 | Very low | 33.9 | Very low | 78 Ų | 78 | 147.8 Ų | 147.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -127.3 | 90.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 25 | V | 30 | Very low | 34.3 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | | | trans | -98.4 | 115.4 | 168.8 | 178.7 | 0 | 0 | 0 | 0 | 106.4 | | |
| 26 | G | 28.8 | Very low | 35.1 | Very low | 64 Ų | 64 | 149.9 Ų | 149.9 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | | | trans | -130.7 | 149.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 27 | P | 32.2 | Very low | 36.1 | Very low | 122 Ų | 122 | 151.6 Ų | 151.6 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | | | trans | -82.2 | 156.4 | -152.7 | 33 | -35.4 | 0 | 0 | 0 | 114.3 | | |
| 28 | G | 29.3 | Very low | 36.5 | Very low | 77 Ų | 77 | 146.4 Ų | 146.4 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | | | trans | -60.5 | 149.5 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 29 | Y | 35 | Very low | 36.8 | Very low | 204 Ų | 204 | 146.9 Ų | 146.9 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | | | trans | -125.3 | 132.4 | 160.1 | -79.1 | -89.7 | 0 | 0 | 0 | 108.5 | | |
| 30 | E | 37.5 | Very low | 37 | Very low | 198 Ų | 198 | 146.7 Ų | 146.7 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | | | trans | -55.2 | 134.6 | -176.9 | -72 | 170.9 | 140.8 | 0 | 0 | 112.1 | S32 | E30-S32 PolarHBondContact O-N 3.08Š|
| 31 | K | 38.2 | Very low | 37.3 | Very low | 193 Ų | 193 | 145.5 Ų | 145.5 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | | | trans | -63.1 | 113.4 | 172.4 | -68.4 | 174.9 | 179.2 | 176.9 | 0 | 108.5 | Y33 | K31-Y33 WeakPolarHBondContact O-CD1 3.09Å; K31-Y33 PolarHBondContact O-N 3.45Å |
| 32 | S | 39.3 | Very low | 37.8 | Very low | 81 Ų | 81 | 135.9 Ų | 135.9 | 57% | 0.566 | 74% | 0.738 | S | S | * | * | | | trans | -63.5 | 118.9 | 166.4 | 54 | 0 | 0 | 0 | 0 | 109.1 | E30 | E30-S32 PolarHBondContact O-N 3.08Š|
| 33 | Y | 40.8 | Very low | 38.2 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | | | trans | -111.9 | 148.7 | 172 | 55.1 | -89.9 | 0 | 0 | 0 | 110.6 | K31 D35 | K31-Y33 WeakPolarHBondContact O-CD1 3.09Å; K31-Y33 PolarHBondContact O-N 3.45Å; Y33-D35 VanDerWaalsContact CE2-OD1 3.31Å; Y33-D35 WeakPolarHBondContact CE2-OD1 3.48Å |
| 34 | L | 30.7 | Very low | 38.4 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 65% | 0.649 | 73% | 0.733 | S | S | * | * | B | Isolated β-bridge | trans | -81.3 | 121 | 170.9 | -86.3 | 153.5 | 0 | 0 | 0 | 108 | | |
| 35 | D | 46.8 | Very low | 38.7 | Very low | 80 Ų | 80 | 132.5 Ų | 132.5 | 43% | 0.428 | 73% | 0.731 | S | S | . | * | | | trans | -67 | 147.8 | 166.8 | -74.3 | -23.1 | 0 | 0 | 0 | 109.6 | Y33 A37 G38 | Y33-D35 VanDerWaalsContact CE2-OD1 3.31Å; Y33-D35 WeakPolarHBondContact CE2-OD1 3.48Å; D35-A37 PolarHBondContact O-N 3.47Å; D35-G38 PolarHBondContact O-N 3.25Å |
| 36 | Y | 50.5 | Low | 39.1 | Very low | 256 Ų | 256 | 135.3 Ų | 135.3 | 100% | 1.004 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | -17.1 | -178.2 | -86.7 | -87.6 | 0 | 0 | 0 | 114.8 | G38 | Y36-G38 VanDerWaalsContact C-N 3.33Š|
| 37 | A | 52.7 | Low | 39.3 | Very low | 88 Ų | 88 | 141.4 Ų | 141.4 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 7.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D35 K39 | D35-A37 PolarHBondContact O-N 3.47Å; A37-K39 VanDerWaalsContact C-N 3.34Å; A37-K39 PolarHBondContact O-N 3.39Å |
| 38 | G | 40.7 | Very low | 39.4 | Very low | 57 Ų | 57 | 143 Ų | 143 | 59% | 0.588 | 74% | 0.741 | S | S | * | * | | | trans | 71.5 | 18.4 | 174 | 0 | 0 | 0 | 0 | 0 | 115.5 | D35 Y36 | D35-G38 PolarHBondContact O-N 3.25Å; Y36-G38 VanDerWaalsContact C-N 3.33Å |
| 39 | K | 42.4 | Very low | 39.6 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 71% | 0.709 | 73% | 0.732 | S | S | * | * | | | trans | -102.8 | 111.6 | 177.7 | -70.5 | -173.5 | -179.9 | 179.3 | 0 | 111.2 | A37 | A37-K39 VanDerWaalsContact C-N 3.34Å; A37-K39 PolarHBondContact O-N 3.39Å |
| 40 | F | 38.8 | Very low | 39.7 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 59% | 0.592 | 73% | 0.733 | S | S | * | * | B | Isolated β-bridge | trans | -74.2 | 119.5 | 177.8 | -173.4 | -100.9 | 0 | 0 | 0 | 111.1 | G42 | F40-G42 WeakPolarHBondContact CE1-O 3.45Å |
| 41 | K | 42.2 | Very low | 39.5 | Very low | 188 Ų | 188 | 141.9 Ų | 141.9 | 82% | 0.817 | 73% | 0.727 | S | S | * | * | | | trans | -121.1 | 97.5 | 170.2 | -81 | -174.6 | 175 | 178.4 | 0 | 109.4 | | |
| 42 | G | 44 | Very low | 38.8 | Very low | 38 Ų | 38 | 141.6 Ų | 141.6 | 39% | 0.392 | 73% | 0.728 | S | S | . | * | S | Bend | trans | -175.9 | 116 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | F40 | F40-G42 WeakPolarHBondContact CE1-O 3.45Š|
| 43 | G | 40.9 | Very low | 38.7 | Very low | 83 Ų | 83 | 146.6 Ų | 146.6 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | | | trans | -62.3 | 132.6 | -162.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | R45 | G43-R45 PolarHBondContact O-N 3.42Å; G43-R45 VanDerWaalsContact O-N 3.17Å |
| 44 | A | 34.4 | Very low | 38 | Very low | 104 Ų | 104 | 147.2 Ų | 147.2 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | | | trans | -67 | 104 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 45 | R | 38.1 | Very low | 38.2 | Very low | 203 Ų | 203 | 147.1 Ų | 147.1 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | | | trans | -99.5 | 117.1 | 154.9 | -87.2 | -176 | 169.5 | -174.5 | -1.7 | 108.7 | G43 F47 | G43-R45 PolarHBondContact O-N 3.42Å; G43-R45 VanDerWaalsContact O-N 3.17Å; R45-F47 WeakPolarHBondContact O-CD2 3.45Å; R45-F47 PolarHBondContact O-N 3.04Å |
| 46 | K | 38.6 | Very low | 37.5 | Very low | 209 Ų | 209 | 148.3 Ų | 148.3 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | | | trans | -67.5 | 104.2 | 169.9 | -64.3 | 179.9 | 179 | -178 | 0 | 107.9 | L48 | K46-L48 PolarHBondContact O-N 3.4Š|
| 47 | F | 33 | Very low | 36.7 | Very low | 192 Ų | 192 | 145 Ų | 145 | 84% | 0.842 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -72 | 122.4 | 171 | -76.4 | -91.4 | 0 | 0 | 0 | 109.1 | R45 | R45-F47 WeakPolarHBondContact O-CD2 3.45Å; R45-F47 PolarHBondContact O-N 3.04Å |
| 48 | L | 33.8 | Very low | 35.7 | Very low | 155 Ų | 155 | 150.1 Ų | 150.1 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 128.2 | 161.2 | -74.9 | 165.2 | 0 | 0 | 0 | 107.3 | K46 I50 | K46-L48 PolarHBondContact O-N 3.4Å; L48-I50 PolarHBondContact O-N 3.3Å |
| 49 | P | 34.1 | Very low | 35.4 | Very low | 93 Ų | 93 | 156.9 Ų | 156.9 | 60% | 0.604 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 128 | 179.6 | 22.4 | -30.5 | 0 | 0 | 0 | 111.2 | Y51 | P49-Y51 HydrophobicContact CB-CE2 4.08Å; P49-Y51 HydrophobicContact CG-CE2 4.05Å |
| 50 | I | 36.6 | Very low | 34.9 | Very low | 163 Ų | 163 | 157.7 Ų | 157.7 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | | | trans | -84.9 | 111.6 | 173.6 | -58.7 | 170.8 | 0 | 0 | 0 | 106.9 | L48 | L48-I50 PolarHBondContact O-N 3.3Š|
| 51 | Y | 32.2 | Very low | 34.5 | Very low | 201 Ų | 201 | 158.3 Ų | 158.3 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | | | trans | -89.8 | 128.5 | 168.3 | -69.9 | -83.1 | 0 | 0 | 0 | 109.6 | P49 | P49-Y51 HydrophobicContact CB-CE2 4.08Å; P49-Y51 HydrophobicContact CG-CE2 4.05Å |
| 52 | Q | 25.2 | Very low | 34.1 | Very low | 186 Ų | 186 | 154.7 Ų | 154.7 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | | | trans | -68.8 | 133.5 | 171.8 | -76.2 | 172.7 | -30.1 | 0 | 0 | 109.7 | | |
| 53 | K | 35.6 | Very low | 33.7 | Very low | 186 Ų | 186 | 159.1 Ų | 159.1 | 81% | 0.809 | 81% | 0.811 | S | S | * | * | | | trans | -117.4 | 108.2 | 170 | -168.1 | 178.8 | -179 | -178.9 | 0 | 107.6 | V55 | K53-V55 HydrophobicContact CD-CG2 4.34Å; K53-V55 HydrophobicContact CG-CG2 4.12Å |
| 54 | E | 26.9 | Very low | 33.1 | Very low | 187 Ų | 187 | 164.6 Ų | 164.6 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | trans | -78 | 127.3 | 167.6 | -64.6 | -178.6 | 161.5 | 0 | 0 | 107.9 | | |
| 55 | V | 35.7 | Very low | 32.6 | Very low | 122 Ų | 122 | 163.4 Ų | 163.4 | 74% | 0.739 | 81% | 0.808 | S | S | * | * | | | trans | -130.6 | 119.1 | 168.5 | -175.8 | 0 | 0 | 0 | 0 | 106.5 | K53 | K53-V55 HydrophobicContact CD-CG2 4.34Å; K53-V55 HydrophobicContact CG-CG2 4.12Å |
| 56 | S | 32 | Very low | 31.9 | Very low | 106 Ų | 106 | 157.3 Ų | 157.3 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | | | trans | -84.6 | 137.1 | -175.7 | 38.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 57 | E | 32.3 | Very low | 31 | Very low | 186 Ų | 186 | 154.2 Ų | 154.2 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | | | trans | 51.9 | 88.6 | 143.6 | -59.8 | -178.6 | -177.4 | 0 | 0 | 118.7 | K59 | E57-K59 PolarHBondContact O-N 3.44Š|
| 58 | E | 31.6 | Very low | 30.7 | Very low | 196 Ų | 196 | 148.5 Ų | 148.5 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | | | trans | -63.8 | 118.4 | 160.9 | -62.1 | 176.7 | 163 | 0 | 0 | 110.6 | | |
| 59 | K | 36.1 | Very low | 30.3 | Very low | 199 Ų | 199 | 145.8 Ų | 145.8 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | | | trans | -82.7 | 108 | 160.4 | -78.8 | 179.5 | 178.1 | 174 | 0 | 108.6 | E57 I61 | E57-K59 PolarHBondContact O-N 3.44Å; K59-I61 PolarHBondContact O-N 3.47Å |
| 60 | E | 30.9 | Very low | 30 | Very low | 179 Ų | 179 | 150.8 Ų | 150.8 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | | | trans | -61 | 125.4 | 166 | -82.4 | -173.8 | 137.2 | 0 | 0 | 110.5 | | |
| 61 | I | 31.2 | Very low | 29.4 | Very low | 149 Ų | 149 | 152.5 Ų | 152.5 | 76% | 0.764 | 82% | 0.824 | S | S | * | * | | | trans | -118.3 | 106.9 | 158.9 | -60.5 | 176.9 | 0 | 0 | 0 | 107.2 | K59 V63 | K59-I61 PolarHBondContact O-N 3.47Å; I61-V63 HydrophobicContact CG2-CG2 4.46Å; I61-V63 PolarHBondContact O-N 3.12Å |
| 62 | V | 32.8 | Very low | 29.4 | Very low | 111 Ų | 111 | 152 Ų | 152 | 67% | 0.673 | 83% | 0.829 | S | S | * | * | | | trans | -70.6 | 116.9 | 170.3 | 174.8 | 0 | 0 | 0 | 0 | 109.1 | K64 | V62-K64 HydrophobicContact CG1-CG 4.27Š|
| 63 | V | 34.8 | Very low | 29.5 | Very low | 132 Ų | 132 | 152 Ų | 152 | 80% | 0.8 | 83% | 0.829 | S | S | * | * | | | trans | -105.6 | 106.2 | 163 | 179.1 | 0 | 0 | 0 | 0 | 108.3 | I61 | I61-V63 HydrophobicContact CG2-CG2 4.46Å; I61-V63 PolarHBondContact O-N 3.12Å |
| 64 | K | 28.6 | Very low | 29 | Very low | 198 Ų | 198 | 152.2 Ų | 152.2 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | | | trans | -66.5 | 130.1 | 170.6 | -70.6 | 177.9 | 175.9 | 176.4 | 0 | 110.1 | V62 | V62-K64 HydrophobicContact CG1-CG 4.27Š|
| 65 | G | 25.2 | Very low | 29.2 | Very low | 78 Ų | 78 | 153.2 Ų | 153.2 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | | | trans | -151 | 110.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 66 | G | 22.5 | Very low | 28.9 | Very low | 76 Ų | 76 | 155.6 Ų | 155.6 | 78% | 0.784 | 84% | 0.835 | S | S | * | * | | | trans | 75.7 | 99.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 67 | C | 20.6 | Very low | 28.9 | Very low | 143 Ų | 143 | 156.2 Ų | 156.2 | 97% | 0.966 | 84% | 0.836 | S | S | * | * | | | | 69.1 | 106.7 | 69.8 | -149.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 68 | G | 25.8 | Very low | 28.8 | Very low | 73 Ų | 73 | 158.9 Ų | 158.9 | 75% | 0.753 | 84% | 0.838 | S | S | * | * | | | trans | 139 | 92.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 69 | A | 25.6 | Very low | 28.5 | Very low | 97 Ų | 97 | 158 Ų | 158 | 80% | 0.802 | 83% | 0.834 | S | S | * | * | | | trans | 90.6 | 109.4 | 136.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 70 | K | 27.5 | Very low | 28.3 | Very low | 199 Ų | 199 | 157.4 Ų | 157.4 | 87% | 0.865 | 83% | 0.831 | S | S | * | * | | | trans | 85.3 | 88.2 | 135.8 | -68.1 | -173.8 | 175 | -175.1 | 0 | 119.8 | | |
| 71 | E | 24.8 | Very low | 28.1 | Very low | 198 Ų | 198 | 159.5 Ų | 159.5 | 93% | 0.925 | 83% | 0.832 | S | S | * | * | | | | 10.8 | 108.9 | 111.8 | -158.3 | 173.3 | -150.2 | 0 | 0 | 116.6 | | |
| 72 | E | 30.7 | Very low | 27.7 | Very low | 191 Ų | 191 | 157.4 Ų | 157.4 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | | | trans | -145.1 | 154.3 | 150.6 | -126.2 | -177.7 | -160.7 | 0 | 0 | 108.4 | | |
| 73 | E | 27.3 | Very low | 27.2 | Very low | 186 Ų | 186 | 158.1 Ų | 158.1 | 87% | 0.869 | 84% | 0.838 | S | S | * | * | | | trans | -68.4 | 156.8 | -144.9 | -74.8 | 171.6 | 116 | 0 | 0 | 118.6 | K75 | E73-K75 PolarHBondContact O-N 3.11Š|
| 74 | K | 26 | Very low | 26.6 | Very low | 190 Ų | 190 | 155 Ų | 155 | 83% | 0.826 | 83% | 0.834 | S | S | * | * | | | trans | -39.1 | 125 | 158.7 | -66.9 | 177.8 | 175.6 | -177.9 | 0 | 112.9 | | |
| 75 | K | 30.5 | Very low | 26.6 | Very low | 208 Ų | 208 | 153.8 Ų | 153.8 | 90% | 0.904 | 83% | 0.831 | S | S | * | * | | | trans | -124.2 | 114.4 | 139.8 | -83.1 | -176 | 177.5 | 171.9 | 0 | 109 | E73 | E73-K75 PolarHBondContact O-N 3.11Š|
| 76 | E | 30.7 | Very low | 26.7 | Very low | 173 Ų | 173 | 158.4 Ų | 158.4 | 81% | 0.808 | 83% | 0.829 | S | S | * | * | | | trans | -70.2 | 163 | 171.8 | -95.4 | -178.9 | -170.3 | 0 | 0 | 112.2 | | |
| 77 | P | 31.6 | Very low | 27 | Very low | 119 Ų | 119 | 160.2 Ų | 160.2 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | | | trans | -93.8 | 146.5 | -141.8 | 35.6 | -33.7 | 0 | 0 | 0 | 112.8 | | |
| 78 | R | 29 | Very low | 27.4 | Very low | 241 Ų | 241 | 159.9 Ų | 159.9 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | | | trans | -102.8 | 102.6 | 165.8 | -154.7 | 178 | -169.9 | -175.8 | 4.1 | 109.6 | | |
| 79 | E | 26.6 | Very low | 27.7 | Very low | 177 Ų | 177 | 163.5 Ų | 163.5 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | | | trans | -67.7 | 131.6 | 166.8 | -147.2 | -174.9 | -177.3 | 0 | 0 | 110.1 | | |
| 80 | K | 31.6 | Very low | 28 | Very low | 187 Ų | 187 | 166.2 Ų | 166.2 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | | | trans | -166.7 | 100.4 | 144.8 | -104.3 | 176 | -169.2 | -172.4 | 0 | 109.4 | | |
| 81 | R | 26.5 | Very low | 28.1 | Very low | 224 Ų | 224 | 168 Ų | 168 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | | | | 46.1 | 118.5 | 129 | -62.8 | 179.9 | -178.9 | 171 | -0.1 | 118.6 | | |
| 82 | S | 23.5 | Very low | 28.4 | Very low | 104 Ų | 104 | 162.2 Ų | 162.2 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | | | trans | -9.2 | 129.7 | 134.1 | 57.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 83 | C | 21.7 | Very low | 28.2 | Very low | 126 Ų | 126 | 160 Ų | 160 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | | | | 170.3 | 137.6 | 100 | -107 | 0 | 0 | 0 | 0 | 109.8 | | |
| 84 | G | 23.2 | Very low | 28.4 | Very low | 68 Ų | 68 | 153.7 Ų | 153.7 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | trans | 83.9 | 100.6 | 133 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 85 | E | 28.5 | Very low | 28.7 | Very low | 172 Ų | 172 | 150.6 Ų | 150.6 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | | 37.4 | 122.9 | 118.8 | -82.3 | -168.5 | 142.6 | 0 | 0 | 119.5 | | |
| 86 | K | 27.2 | Very low | 28.6 | Very low | 175 Ų | 175 | 143.9 Ų | 143.9 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | | | trans | 93.6 | 99.4 | 152 | -61.5 | 167.6 | -174.2 | 179.6 | 0 | 116.3 | | |
| 87 | C | 27.4 | Very low | 28.8 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | | -162.4 | 112.7 | 112.1 | -82.3 | 0 | 0 | 0 | 0 | 105 | | |
| 88 | D | 29.8 | Very low | 29.1 | Very low | 136 Ų | 136 | 148 Ų | 148 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | | 65.8 | 117.1 | 93.3 | -63.7 | -40.9 | 0 | 0 | 0 | 112.1 | | |
| 89 | D | 32.4 | Very low | 29.6 | Very low | 149 Ų | 149 | 146 Ų | 146 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | 67 | 103.1 | 166.7 | -54.6 | -39 | 0 | 0 | 0 | 118.4 | | |
| 90 | L | 31.9 | Very low | 30.3 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | | | | 163.2 | 111.1 | 115.4 | -82.2 | 166.4 | 0 | 0 | 0 | 112.7 | | |
| 91 | R | 29.8 | Very low | 30.7 | Very low | 237 Ų | 237 | 139.2 Ų | 139.2 | 89% | 0.894 | 76% | 0.759 | S | S | * | * | | | trans | 29.9 | 99.3 | 138.4 | -63.4 | 176.6 | -154.9 | -177.1 | 6.4 | 118.1 | | |
| 92 | G | 29.8 | Very low | 31 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | | | trans | -109.9 | 126.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | G94 | G92-G94 PolarHBondContact O-N 3.27Å; G92-G94 VanDerWaalsContact O-N 3.11Å |
| 93 | V | 28 | Very low | 32.2 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 87% | 0.873 | 73% | 0.727 | S | S | * | * | | | trans | -63.4 | 100.9 | -171.6 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 94 | G | 30.9 | Very low | 33.5 | Very low | 54 Ų | 54 | 137.8 Ų | 137.8 | 56% | 0.557 | 73% | 0.734 | S | S | * | * | | | trans | -70 | 143.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | G92 G96 | G92-G94 PolarHBondContact O-N 3.27Å; G92-G94 VanDerWaalsContact O-N 3.11Å; G94-G96 PolarHBondContact O-N 3.15Å |
| 95 | P | 31.7 | Very low | 35.1 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | | | trans | -58.8 | 106.5 | -174.1 | 22.9 | -31.6 | 0 | 0 | 0 | 110.3 | Y97 | P95-Y97 PolarHBondContact O-N 2.89Å; P95-Y97 VanDerWaalsContact O-N 3.15Å |
| 96 | G | 29 | Very low | 35.9 | Very low | 66 Ų | 66 | 133.1 Ų | 133.1 | 68% | 0.68 | 72% | 0.723 | S | S | * | * | | | trans | -69.4 | 106.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | G94 | G94-G96 PolarHBondContact O-N 3.15Š|
| 97 | Y | 35.3 | Very low | 36.7 | Very low | 216 Ų | 216 | 131.9 Ų | 131.9 | 85% | 0.847 | 72% | 0.718 | S | S | * | * | | | trans | -128.4 | 107.8 | 152.9 | -84 | -82.2 | 0 | 0 | 0 | 109.8 | P95 | P95-Y97 PolarHBondContact O-N 2.89Å; P95-Y97 VanDerWaalsContact O-N 3.15Å |
| 98 | E | 37.8 | Very low | 37.1 | Very low | 164 Ų | 164 | 133.1 Ų | 133.1 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | | | trans | 34.3 | 103.9 | 158.8 | -68.1 | 178.2 | 162.7 | 0 | 0 | 119.7 | S100 | E98-S100 PolarHBondContact O-N 3.42Å; E98-S100 VanDerWaalsContact O-N 3.11Å |
| 99 | K | 38.8 | Very low | 37.8 | Very low | 197 Ų | 197 | 133.4 Ų | 133.4 | 86% | 0.857 | 71% | 0.705 | S | S | * | * | | | trans | -51.9 | 113.4 | 147.9 | -70.7 | 177.3 | 179 | 178 | 0 | 108 | Y101 | K99-Y101 PolarHBondContact O-N 3.08Š|
| 100 | S | 40.9 | Very low | 38.4 | Very low | 66 Ų | 66 | 127.6 Ų | 127.6 | 46% | 0.462 | 68% | 0.681 | S | S | . | * | | | trans | -58 | 122.2 | 165 | 52.9 | 0 | 0 | 0 | 0 | 108.8 | E98 | E98-S100 PolarHBondContact O-N 3.42Å; E98-S100 VanDerWaalsContact O-N 3.11Å |
| 101 | Y | 40.2 | Very low | 39 | Very low | 156 Ų | 156 | 123.8 Ų | 123.8 | 61% | 0.612 | 68% | 0.678 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.4 | 152.9 | 169.3 | 56.3 | -90.5 | 0 | 0 | 0 | 110.2 | K99 D103 | K99-Y101 PolarHBondContact O-N 3.08Å; Y101-D103 WeakPolarHBondContact CE2-OD1 3.37Å |
| 102 | L | 32.3 | Very low | 39.3 | Very low | 125 Ų | 125 | 117.1 Ų | 117.1 | 65% | 0.654 | 67% | 0.674 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.7 | 118.8 | 177.1 | -106.8 | 142 | 0 | 0 | 0 | 107.9 | | |
| 103 | D | 49.1 | Very low | 39.7 | Very low | 48 Ų | 48 | 123.8 Ų | 123.8 | 26% | 0.257 | 68% | 0.675 | S | S | . | * | | | trans | -66 | 150.7 | 169.4 | -72.1 | -15 | 0 | 0 | 0 | 109.1 | Y101 A105 G106 K107 K109 | Y101-D103 WeakPolarHBondContact CE2-OD1 3.37Å; D103-A105 PolarHBondContact O-N 2.92Å; D103-G106 PolarHBondContact O-N 2.81Å; D103-K107 PolarHBondContact N-O 3.45Å; D103-K109 IonicContact OD2-NZ 2.86Å; D103-K109 PolarHBondContact OD2-NZ 2.74Å |
| 104 | Y | 49.9 | Very low | 40.3 | Very low | 252 Ų | 252 | 126.4 Ų | 126.4 | 99% | 0.988 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | -19.9 | -177.8 | -104.7 | -89.9 | 0 | 0 | 0 | 115 | G106 | Y104-G106 VanDerWaalsContact C-N 3.34Š|
| 105 | A | 56.3 | Low | 40.6 | Very low | 86 Ų | 86 | 132.7 Ų | 132.7 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | 11.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D103 K107 | D103-A105 PolarHBondContact O-N 2.92Å; A105-K107 VanDerWaalsContact C-N 3.34Å; A105-K107 PolarHBondContact O-N 3.02Å |
| 106 | G | 45.6 | Very low | 40.7 | Very low | 55 Ų | 55 | 133.9 Ų | 133.9 | 57% | 0.567 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 75.1 | 14.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D103 Y104 | D103-G106 PolarHBondContact O-N 2.81Å; Y104-G106 VanDerWaalsContact C-N 3.34Å |
| 107 | K | 42.8 | Very low | 40.8 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 65% | 0.648 | 68% | 0.678 | S | S | * | * | | | trans | -95.3 | 119.3 | -178.6 | -66.6 | -174.4 | -178.8 | 178.7 | 0 | 111.1 | D103 A105 K109 | D103-K107 PolarHBondContact N-O 3.45Å; A105-K107 VanDerWaalsContact C-N 3.34Å; A105-K107 PolarHBondContact O-N 3.02Å; K107-K109 PolarHBondContact O-N 2.86Å |
| 108 | F | 36.3 | Very low | 40.9 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 61% | 0.614 | 68% | 0.678 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.5 | 117.5 | 177 | -172.8 | -95 | 0 | 0 | 0 | 110.5 | G110 | F108-G110 WeakPolarHBondContact CE1-O 3.48Å |
| 109 | K | 45.7 | Very low | 40.6 | Very low | 143 Ų | 143 | 133.2 Ų | 133.2 | 62% | 0.622 | 68% | 0.676 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.9 | 97.9 | 169 | -74.7 | 179.9 | -172.9 | 145.7 | 0 | 108.7 | D103 K107 | D103-K109 IonicContact OD2-NZ 2.86Å; D103-K109 PolarHBondContact OD2-NZ 2.74Å; K107-K109 PolarHBondContact O-N 2.86Å |
| 110 | G | 44.1 | Very low | 40 | Very low | 27 Ų | 27 | 132.7 Ų | 132.7 | 28% | 0.278 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -162.1 | 129.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | F108 A112 | F108-G110 WeakPolarHBondContact CE1-O 3.48Å; G110-A112 PolarHBondContact O-N 3.1Å |
| 111 | G | 43.8 | Very low | 39.7 | Very low | 73 Ų | 73 | 138.4 Ų | 138.4 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | | | trans | -50.9 | 132.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R113 | G111-R113 PolarHBondContact O-N 3.11Å; G111-R113 VanDerWaalsContact O-N 3.12Å |
| 112 | A | 37.8 | Very low | 39 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 80% | 0.802 | 71% | 0.705 | S | S | * | * | | | trans | -53.1 | 115.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G110 K114 | G110-A112 PolarHBondContact O-N 3.1Å; A112-K114 PolarHBondContact O-N 3.27Å |
| 113 | R | 36.8 | Very low | 39 | Very low | 217 Ų | 217 | 139.8 Ų | 139.8 | 82% | 0.819 | 71% | 0.711 | S | S | * | * | | | trans | -58.6 | 117.6 | 167.2 | -74.7 | 179.5 | 172.4 | -172.1 | -3.2 | 108.7 | G111 F115 | G111-R113 PolarHBondContact O-N 3.11Å; G111-R113 VanDerWaalsContact O-N 3.12Å; R113-F115 PolarHBondContact O-N 3.12Å |
| 114 | K | 41.6 | Very low | 38.1 | Very low | 198 Ų | 198 | 142.2 Ų | 142.2 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | | | trans | -72.6 | 108.2 | 162.7 | -65 | 179.6 | -178.8 | 178.2 | 0 | 106.9 | A112 L116 | A112-K114 PolarHBondContact O-N 3.27Å; K114-L116 PolarHBondContact O-N 3.46Å |
| 115 | F | 35.7 | Very low | 37.2 | Very low | 186 Ų | 186 | 138.7 Ų | 138.7 | 82% | 0.816 | 72% | 0.724 | S | S | * | * | | | trans | -71.3 | 109.9 | 160.4 | -71.2 | -86.6 | 0 | 0 | 0 | 106.7 | R113 | R113-F115 PolarHBondContact O-N 3.12Š|
| 116 | L | 34.8 | Very low | 35.9 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | | | trans | -73.6 | 123.5 | 163.5 | -72.8 | 169.7 | 0 | 0 | 0 | 106.7 | K114 I118 | K114-L116 PolarHBondContact O-N 3.46Å; L116-I118 PolarHBondContact O-N 3.18Å |
| 117 | P | 32 | Very low | 35.3 | Very low | 79 Ų | 79 | 150.5 Ų | 150.5 | 51% | 0.513 | 75% | 0.746 | S | S | . | * | | | trans | -60.9 | 128.4 | 172.3 | -12.3 | 24.4 | 0 | 0 | 0 | 108.9 | Y119 | P117-Y119 HydrophobicContact CB-CD2 4.18Å; P117-Y119 HydrophobicContact CB-CE2 3.64Å; P117-Y119 HydrophobicContact CG-CE2 3.85Å; P117-Y119 VanDerWaalsContact O-CD2 3.26Å; P117-Y119 WeakPolarHBondContact O-CD2 3.26Å; P117-Y119 PolarHBondContact O-N 3.31Å; P117-Y119 VanDerWaalsContact O-N 3.08Å |
| 118 | I | 37.2 | Very low | 34.9 | Very low | 167 Ų | 167 | 153 Ų | 153 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | | | trans | -73.7 | 99.9 | 171.7 | -57.8 | 172.3 | 0 | 0 | 0 | 106.2 | L116 | L116-I118 PolarHBondContact O-N 3.18Š|
| 119 | Y | 30 | Very low | 34.7 | Very low | 186 Ų | 186 | 152.2 Ų | 152.2 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | | | trans | -83.4 | 117.8 | 168.6 | -64.4 | -82 | 0 | 0 | 0 | 108.2 | P117 K121 | P117-Y119 HydrophobicContact CB-CD2 4.18Å; P117-Y119 HydrophobicContact CB-CE2 3.64Å; P117-Y119 HydrophobicContact CG-CE2 3.85Å; P117-Y119 VanDerWaalsContact O-CD2 3.26Å; P117-Y119 WeakPolarHBondContact O-CD2 3.26Å; P117-Y119 PolarHBondContact O-N 3.31Å; P117-Y119 VanDerWaalsContact O-N 3.08Å; Y119-K121 PolarHBondContact O-N 3.26Å |
| 120 | Q | 26.7 | Very low | 34.2 | Very low | 187 Ų | 187 | 151.2 Ų | 151.2 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | | | trans | -65.5 | 114.7 | 160.1 | -85.1 | 176.6 | -32.9 | 0 | 0 | 107.1 | | |
| 121 | K | 34.3 | Very low | 33.8 | Very low | 186 Ų | 186 | 156.1 Ų | 156.1 | 81% | 0.809 | 80% | 0.797 | S | S | * | * | | | trans | -115.7 | 99 | 178.2 | -168.5 | -178.4 | -177.5 | -172.8 | 0 | 107.4 | Y119 | Y119-K121 PolarHBondContact O-N 3.26Š|
| 122 | E | 26.9 | Very low | 33 | Very low | 184 Ų | 184 | 162 Ų | 162 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | -97 | 103.6 | 166.4 | -68.8 | -177.1 | 170.8 | 0 | 0 | 107.5 | | |
| 123 | V | 32.1 | Very low | 32.4 | Very low | 126 Ų | 126 | 160.7 Ų | 160.7 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | | | trans | -149.6 | 127 | 158.2 | -170.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 124 | S | 28.7 | Very low | 31.7 | Very low | 99 Ų | 99 | 154 Ų | 154 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | | | trans | -72.5 | 140.9 | 177.8 | 44.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 125 | E | 33 | Very low | 30.7 | Very low | 177 Ų | 177 | 151.3 Ų | 151.3 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | | | trans | 51.5 | 100.2 | 142.9 | -63.4 | 177.9 | -175.7 | 0 | 0 | 121.2 | | |
| 126 | E | 29 | Very low | 30.2 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | | 47 | 107.3 | 122.5 | -61.5 | -176 | -172.8 | 0 | 0 | 121.1 | | |
| 127 | K | 31.5 | Very low | 29.8 | Very low | 206 Ų | 206 | 143.2 Ų | 143.2 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | | | trans | -173 | 94.1 | 131.4 | -100.3 | 161.9 | -172.1 | 176.3 | 0 | 108.5 | | |
| 128 | E | 35.8 | Very low | 29.5 | Very low | 202 Ų | 202 | 148.2 Ų | 148.2 | 94% | 0.944 | 81% | 0.81 | S | S | * | * | | | trans | -87 | 114.3 | 167.6 | -92.7 | -169.7 | 162 | 0 | 0 | 110 | | |
| 129 | V | 31.5 | Very low | 28.8 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | | | trans | -84.7 | 120.9 | 166.9 | 173.3 | 0 | 0 | 0 | 0 | 108 | V131 | V129-V131 PolarHBondContact O-N 3.34Š|
| 130 | V | 34.6 | Very low | 28.5 | Very low | 121 Ų | 121 | 147 Ų | 147 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | | | trans | -69.6 | 113.2 | 171.1 | 175.3 | 0 | 0 | 0 | 0 | 109.4 | K132 | V130-K132 HydrophobicContact CG1-CG 4.13Š|
| 131 | V | 36.4 | Very low | 28.4 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | | | trans | -94.2 | 101.4 | 164.2 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | V129 G133 | V129-V131 PolarHBondContact O-N 3.34Å; V131-G133 PolarHBondContact O-N 3.08Å |
| 132 | K | 27.1 | Very low | 27.9 | Very low | 198 Ų | 198 | 146.5 Ų | 146.5 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | | | trans | -75.8 | 106.2 | 160.4 | -73.9 | -178.6 | 176.7 | 175.7 | 0 | 108.1 | V130 | V130-K132 HydrophobicContact CG1-CG 4.13Š|
| 133 | G | 25.7 | Very low | 28.1 | Very low | 69 Ų | 69 | 147.5 Ų | 147.5 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | trans | -120.9 | 96.8 | 165 | 0 | 0 | 0 | 0 | 0 | 108.5 | V131 | V131-G133 PolarHBondContact O-N 3.08Š|
| 134 | G | 21.3 | Very low | 27.9 | Very low | 77 Ų | 77 | 149.7 Ų | 149.7 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | -74.2 | 169.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 135 | C | 20.4 | Very low | 28 | Very low | 140 Ų | 140 | 150.9 Ų | 150.9 | 95% | 0.946 | 81% | 0.814 | S | S | * | * | | | | 149.2 | 131.6 | 108.4 | -154.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 136 | G | 24.2 | Very low | 27.8 | Very low | 73 Ų | 73 | 153.6 Ų | 153.6 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | | | trans | 84.3 | 138.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 137 | A | 27.3 | Very low | 27.9 | Very low | 93 Ų | 93 | 153 Ų | 153 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | | | cis | -168.1 | 149.1 | 12.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 138 | K | 24.8 | Very low | 28.1 | Very low | 184 Ų | 184 | 152.4 Ų | 152.4 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | | | trans | 57.7 | 113.3 | 147.9 | -66.8 | -177.6 | 174.6 | -170.8 | 0 | 118.8 | | |
| 139 | E | 23.2 | Very low | 27.6 | Very low | 169 Ų | 169 | 153.7 Ų | 153.7 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | | | | 77.4 | 138 | 66.6 | -158.6 | -176.7 | -160.9 | 0 | 0 | 112.4 | | |
| 140 | E | 24 | Very low | 27.3 | Very low | 159 Ų | 159 | 153.4 Ų | 153.4 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | | | trans | 98.4 | 101.5 | 168 | -58.5 | -163.3 | 146.2 | 0 | 0 | 120 | | |
| 141 | E | 24.4 | Very low | 27.1 | Very low | 169 Ų | 169 | 153.6 Ų | 153.6 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | | | | 78.3 | 101.9 | 126.7 | -70.1 | -161.5 | 135.7 | 0 | 0 | 120.7 | K143 | E141-K143 PolarHBondContact O-N 3.25Š|
| 142 | K | 24.4 | Very low | 26.6 | Very low | 194 Ų | 194 | 151.5 Ų | 151.5 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | | | | 5.3 | 104.4 | 125.1 | -70.7 | -177.4 | 176.5 | -178.1 | 0 | 114.9 | | |
| 143 | K | 29.8 | Very low | 26.7 | Very low | 204 Ų | 204 | 145.7 Ų | 145.7 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | | | trans | -116.4 | 108.2 | 136 | -82.9 | -178.7 | 177.9 | 169.9 | 0 | 107.9 | E141 | E141-K143 PolarHBondContact O-N 3.25Š|
| 144 | E | 28.3 | Very low | 27 | Very low | 173 Ų | 173 | 152.7 Ų | 152.7 | 81% | 0.808 | 83% | 0.828 | S | S | * | * | | | trans | -51.7 | 138.3 | 165.2 | -75.3 | 179.1 | 163 | 0 | 0 | 109.6 | R146 | E144-R146 PolarHBondContact O-N 3.4Š|
| 145 | P | 30.9 | Very low | 27.8 | Very low | 123 Ų | 123 | 154 Ų | 154 | 80% | 0.799 | 83% | 0.825 | S | S | * | * | | | trans | -69.3 | 106.2 | -175.8 | 27.3 | -31 | 0 | 0 | 0 | 108.8 | E147 | P145-E147 PolarHBondContact O-N 3.5Š|
| 146 | R | 29.1 | Very low | 28.3 | Very low | 234 Ų | 234 | 153 Ų | 153 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | | | trans | -68.4 | 99.9 | 169.8 | -155.3 | 176.3 | -172.6 | -176.7 | 2.9 | 107.8 | E144 K148 | E144-R146 PolarHBondContact O-N 3.4Å; R146-K148 PolarHBondContact O-N 2.96Å |
| 147 | E | 30.5 | Very low | 28.8 | Very low | 170 Ų | 170 | 157.4 Ų | 157.4 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | | | trans | -55.3 | 100.6 | 168.8 | -73.3 | -173.5 | 154.8 | 0 | 0 | 109.7 | P145 R149 | P145-E147 PolarHBondContact O-N 3.5Å; E147-R149 PolarHBondContact O-N 3.43Å |
| 148 | K | 35.5 | Very low | 29 | Very low | 195 Ų | 195 | 160.4 Ų | 160.4 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | | | trans | -82.9 | 104.3 | 155.3 | -79 | -172.1 | 177.5 | -178.3 | 0 | 107.5 | R146 | R146-K148 PolarHBondContact O-N 2.96Š|
| 149 | R | 25.5 | Very low | 29.3 | Very low | 228 Ų | 228 | 163.2 Ų | 163.2 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | | | trans | -48.3 | 151.6 | 161.4 | -72.3 | 178.5 | 179.3 | 175.4 | -1 | 111.1 | E147 | E147-R149 PolarHBondContact O-N 3.43Š|
| 150 | C | 26.3 | Very low | 29.6 | Very low | 118 Ų | 118 | 158.9 Ų | 158.9 | 80% | 0.797 | 83% | 0.833 | S | S | * | * | | | trans | -20.2 | 153.9 | 177.4 | -59.2 | 0 | 0 | 0 | 0 | 120 | | |
| 151 | S | 29.4 | Very low | 29.9 | Very low | 125 Ų | 125 | 157.9 Ų | 157.9 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | | | trans | 103.7 | 118.3 | 135 | 75 | 0 | 0 | 0 | 0 | 116.6 | | |
| 152 | G | 26.5 | Very low | 30.1 | Very low | 87 Ų | 87 | 152.9 Ų | 152.9 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | S | Bend | trans | 141.4 | 73.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 153 | G | 29.3 | Very low | 30.5 | Very low | 75 Ų | 75 | 150.4 Ų | 150.4 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | | | trans | 123.9 | 109 | 157.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S155 | G153-S155 PolarHBondContact O-N 3.43Å; G153-S155 VanDerWaalsContact O-N 3.12Å |
| 154 | K | 33.1 | Very low | 30.7 | Very low | 216 Ų | 216 | 143.3 Ų | 143.3 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | | | trans | -62 | 105.2 | 161.7 | -68.9 | 171.6 | 176.7 | 175.7 | 0 | 109.2 | | |
| 155 | S | 36.4 | Very low | 31.1 | Very low | 105 Ų | 105 | 146 Ų | 146 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | | | trans | 173.3 | 107.1 | 133.4 | 55.6 | 0 | 0 | 0 | 0 | 109.1 | G153 D157 | G153-S155 PolarHBondContact O-N 3.43Å; G153-S155 VanDerWaalsContact O-N 3.12Å; S155-D157 PolarHBondContact O-N 3.47Å |
| 156 | C | 31.1 | Very low | 31.5 | Very low | 119 Ų | 119 | 149.5 Ų | 149.5 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | | | trans | -68 | 120.5 | 167.6 | -50.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 157 | D | 36.1 | Very low | 32 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 88% | 0.882 | 83% | 0.827 | S | S | * | * | | | trans | -126.6 | 59.7 | 149.5 | -78.6 | -38 | 0 | 0 | 0 | 108.7 | S155 | S155-D157 PolarHBondContact O-N 3.47Š|
| 158 | L | 30.7 | Very low | 32.5 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | | | trans | -94.5 | 117.2 | 157.1 | -79.5 | 168.9 | 0 | 0 | 0 | 107.8 | | |
| 159 | R | 31.9 | Very low | 32.6 | Very low | 243 Ų | 243 | 140.4 Ų | 140.4 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | | | trans | -173.7 | 90.4 | 139.8 | -103.9 | 176.8 | -110.9 | -156.9 | -1.2 | 110.4 | | |
| 160 | G | 29.1 | Very low | 32.8 | Very low | 78 Ų | 78 | 135.4 Ų | 135.4 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -75.7 | 131 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 161 | V | 30.8 | Very low | 33.8 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | | | trans | -153.5 | 115.9 | 160.4 | -175 | 0 | 0 | 0 | 0 | 109.9 | | |
| 162 | G | 27.7 | Very low | 34.6 | Very low | 65 Ų | 65 | 137.8 Ų | 137.8 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | | | trans | 73 | 139 | 132.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 163 | P | 33.3 | Very low | 36.2 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -80.5 | 136.2 | -173.8 | 33.9 | -31.9 | 0 | 0 | 0 | 111.4 | | |
| 164 | G | 33 | Very low | 36.9 | Very low | 55 Ų | 55 | 139.3 Ų | 139.3 | 57% | 0.567 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 125.3 | 26.4 | 149.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 165 | Y | 37.4 | Very low | 37.2 | Very low | 230 Ų | 230 | 135 Ų | 135 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | | | trans | -150.3 | 112.3 | 156.7 | -65.4 | -80 | 0 | 0 | 0 | 109.1 | K167 | Y165-K167 PolarHBondContact O-N 3.4Š|
| 166 | E | 38.7 | Very low | 37.2 | Very low | 197 Ų | 197 | 136.8 Ų | 136.8 | 92% | 0.921 | 73% | 0.727 | S | S | * | * | | | trans | -58.5 | 105.9 | 166.4 | -88.5 | -177.8 | 157.5 | 0 | 0 | 107.6 | S168 | E166-S168 PolarHBondContact O-N 3.5Å; E166-S168 VanDerWaalsContact O-N 3.08Å |
| 167 | K | 40.8 | Very low | 37.8 | Very low | 187 Ų | 187 | 137.6 Ų | 137.6 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | | | trans | -60.7 | 113.5 | 166.4 | -73.7 | 177.5 | 179.3 | 174.2 | 0 | 106.2 | Y165 Y169 | Y165-K167 PolarHBondContact O-N 3.4Å; K167-Y169 WeakPolarHBondContact O-CD1 3.46Å; K167-Y169 PolarHBondContact O-N 2.81Å; K167-Y169 VanDerWaalsContact O-N 3.1Å |
| 168 | S | 40.4 | Very low | 38.3 | Very low | 63 Ų | 63 | 131.5 Ų | 131.5 | 44% | 0.441 | 69% | 0.692 | S | S | . | * | | | trans | -57.5 | 113.9 | 167.9 | 53.2 | 0 | 0 | 0 | 0 | 108.3 | E166 | E166-S168 PolarHBondContact O-N 3.5Å; E166-S168 VanDerWaalsContact O-N 3.08Å |
| 169 | Y | 37.8 | Very low | 39 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 62% | 0.616 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 151.9 | 169.7 | 55.8 | -85.8 | 0 | 0 | 0 | 109.4 | K167 D171 | K167-Y169 WeakPolarHBondContact O-CD1 3.46Å; K167-Y169 PolarHBondContact O-N 2.81Å; K167-Y169 VanDerWaalsContact O-N 3.1Å; Y169-D171 WeakPolarHBondContact CD2-OD1 3.35Å; Y169-D171 WeakPolarHBondContact CE2-OD1 3.47Å |
| 170 | L | 29.5 | Very low | 39.3 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 64% | 0.644 | 69% | 0.686 | S | S | * | * | B | Isolated β-bridge | trans | -82.6 | 123.1 | 168.9 | -86.7 | 151.4 | 0 | 0 | 0 | 107.2 | | |
| 171 | D | 47.6 | Very low | 39.7 | Very low | 42 Ų | 42 | 127.8 Ų | 127.8 | 23% | 0.225 | 69% | 0.688 | C | S | . | * | P | Polyproline II helix | trans | -65.4 | 156.6 | 168.5 | -69.4 | -21.2 | 0 | 0 | 0 | 109.4 | Y169 D173 G174 H175 K177 | Y169-D171 WeakPolarHBondContact CD2-OD1 3.35Å; Y169-D171 WeakPolarHBondContact CE2-OD1 3.47Å; D171-D173 PolarHBondContact O-N 3.12Å; D171-G174 PolarHBondContact O-N 3.13Å; D171-H175 PolarHBondContact N-O 3.41Å; D171-K177 WeakPolarHBondContact OD2-CE 3.15Å; D171-K177 IonicContact OD2-NZ 2.74Å; D171-K177 PolarHBondContact OD2-NZ 3.18Å |
| 172 | Y | 45.8 | Very low | 40.1 | Very low | 251 Ų | 251 | 130.7 Ų | 130.7 | 98% | 0.984 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | -23.6 | -178.5 | -76.8 | -84.1 | 0 | 0 | 0 | 113.9 | G174 | Y172-G174 VanDerWaalsContact C-N 3.33Š|
| 173 | D | 60.5 | Low | 40.4 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 77% | 0.765 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 11.6 | 174.4 | -60.8 | -38.8 | 0 | 0 | 0 | 113.8 | D171 H175 | D171-D173 PolarHBondContact O-N 3.12Å; D173-H175 PolarHBondContact O-CE1 3.36Å; D173-H175 PolarHBondContact O-N 3.31Å; D173-H175 PolarHBondContact O-ND1 3.41Å |
| 174 | G | 44.2 | Very low | 40.4 | Very low | 52 Ų | 52 | 137 Ų | 137 | 54% | 0.536 | 69% | 0.691 | S | S | . | * | | | trans | 77.8 | 12.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | D171 Y172 | D171-G174 PolarHBondContact O-N 3.13Å; Y172-G174 VanDerWaalsContact C-N 3.33Å |
| 175 | H | 38.9 | Very low | 40.3 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 58% | 0.579 | 69% | 0.69 | S | S | * | * | | | trans | -89.1 | 125 | -178.3 | -68.2 | 73 | 0 | 0 | 0 | 111.9 | D171 D173 K177 | D171-H175 PolarHBondContact N-O 3.41Å; D173-H175 PolarHBondContact O-CE1 3.36Å; D173-H175 PolarHBondContact O-N 3.31Å; D173-H175 PolarHBondContact O-ND1 3.41Å; H175-K177 PolarHBondContact O-N 3.22Å |
| 176 | F | 36.8 | Very low | 40.3 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 62% | 0.623 | 69% | 0.688 | S | S | * | * | B | Isolated β-bridge | trans | -81.4 | 114.2 | 179.8 | -174.7 | -95.6 | 0 | 0 | 0 | 111.3 | | |
| 177 | K | 43.7 | Very low | 39.9 | Very low | 137 Ų | 137 | 135 Ų | 135 | 60% | 0.596 | 68% | 0.679 | S | S | * | * | | | trans | -109.1 | 93.2 | 171 | -72.6 | 176.1 | -177.8 | 151.1 | 0 | 109.6 | D171 H175 | D171-K177 WeakPolarHBondContact OD2-CE 3.15Å; D171-K177 IonicContact OD2-NZ 2.74Å; D171-K177 PolarHBondContact OD2-NZ 3.18Å; H175-K177 PolarHBondContact O-N 3.22Å |
| 178 | G | 46.8 | Very low | 39.3 | Very low | 36 Ų | 36 | 135.5 Ų | 135.5 | 37% | 0.371 | 68% | 0.684 | S | S | . | * | | | trans | -143.9 | 108.7 | 174 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 179 | G | 45.3 | Very low | 39.1 | Very low | 76 Ų | 76 | 140.6 Ų | 140.6 | 78% | 0.784 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 140.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R181 | G179-R181 PolarHBondContact O-N 3.39Š|
| 180 | A | 37.4 | Very low | 38.7 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 123.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K182 | A180-K182 PolarHBondContact O-N 3.17Š|
| 181 | R | 37.7 | Very low | 38.7 | Very low | 225 Ų | 225 | 142.6 Ų | 142.6 | 85% | 0.849 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 118.8 | 171.8 | -77.1 | 178.6 | 170.2 | -172.2 | -3.2 | 110.1 | G179 F183 | G179-R181 PolarHBondContact O-N 3.39Å; R181-F183 PolarHBondContact O-N 3.5Å |
| 182 | K | 39.2 | Very low | 37.8 | Very low | 198 Ų | 198 | 145.4 Ų | 145.4 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | | | trans | -76.6 | 111.1 | 163.2 | -65.5 | -179.4 | -179.8 | 177.8 | 0 | 107.4 | A180 L184 | A180-K182 PolarHBondContact O-N 3.17Å; K182-L184 PolarHBondContact O-N 3.23Å |
| 183 | F | 34.3 | Very low | 37.1 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 82% | 0.816 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 117.8 | 164.9 | -71.5 | -89 | 0 | 0 | 0 | 107.5 | R181 | R181-F183 PolarHBondContact O-N 3.5Š|
| 184 | L | 33.3 | Very low | 35.7 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 80% | 0.801 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 130 | 166.3 | -71.9 | 167.5 | 0 | 0 | 0 | 107.6 | K182 I186 | K182-L184 PolarHBondContact O-N 3.23Å; L184-I186 PolarHBondContact O-N 3.08Å |
| 185 | P | 30.9 | Very low | 35.3 | Very low | 83 Ų | 83 | 151.5 Ų | 151.5 | 54% | 0.539 | 76% | 0.758 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 131.1 | 178.5 | 16.8 | -25.6 | 0 | 0 | 0 | 111.1 | Y187 | P185-Y187 HydrophobicContact CB-CE2 3.95Å; P185-Y187 HydrophobicContact CG-CE2 3.63Å; P185-Y187 WeakPolarHBondContact O-CD2 3.23Å; P185-Y187 PolarHBondContact O-N 3.42Å |
| 186 | I | 36.8 | Very low | 34.9 | Very low | 171 Ų | 171 | 154 Ų | 154 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | | | trans | -79.4 | 99.9 | 177 | -56.7 | 171.8 | 0 | 0 | 0 | 107 | L184 | L184-I186 PolarHBondContact O-N 3.08Š|
| 187 | Y | 29.6 | Very low | 34.7 | Very low | 187 Ų | 187 | 154.5 Ų | 154.5 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | trans | -84 | 124.5 | 170.1 | -61.7 | -81.6 | 0 | 0 | 0 | 109.1 | P185 K189 | P185-Y187 HydrophobicContact CB-CE2 3.95Å; P185-Y187 HydrophobicContact CG-CE2 3.63Å; P185-Y187 WeakPolarHBondContact O-CD2 3.23Å; P185-Y187 PolarHBondContact O-N 3.42Å; Y187-K189 PolarHBondContact O-N 3.23Å; Y187-K189 VanDerWaalsContact O-N 3.08Å |
| 188 | Q | 29.4 | Very low | 34.1 | Very low | 196 Ų | 196 | 152.7 Ų | 152.7 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | | | trans | -69.3 | 99.9 | 160.6 | -96.4 | -180 | -19.9 | 0 | 0 | 107.2 | Q190 | Q188-Q190 PolarHBondContact O-N 3.13Š|
| 189 | K | 35.5 | Very low | 33.6 | Very low | 170 Ų | 170 | 157.4 Ų | 157.4 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | | | trans | -86.6 | 100.4 | 176.2 | -158.4 | 179.3 | -175 | -171.5 | 0 | 107.7 | Y187 | Y187-K189 PolarHBondContact O-N 3.23Å; Y187-K189 VanDerWaalsContact O-N 3.08Å |
| 190 | Q | 29.2 | Very low | 32.8 | Very low | 189 Ų | 189 | 162.5 Ų | 162.5 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | | | trans | -73.1 | 125.7 | 161.5 | -77.3 | -177.1 | -18.6 | 0 | 0 | 107.3 | Q188 | Q188-Q190 PolarHBondContact O-N 3.13Š|
| 191 | V | 29.9 | Very low | 31.9 | Very low | 133 Ų | 133 | 161.8 Ų | 161.8 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | | | trans | -95.9 | 112.1 | -177 | -178.3 | 0 | 0 | 0 | 0 | 107 | | |
| 192 | S | 29.1 | Very low | 31.2 | Very low | 102 Ų | 102 | 154.9 Ų | 154.9 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | | | trans | -123 | 109.6 | 159.4 | 53.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 193 | E | 30.3 | Very low | 30.5 | Very low | 192 Ų | 192 | 150.3 Ų | 150.3 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | | | trans | 45.8 | 84.7 | 151.8 | -56.5 | -177.4 | -175.4 | 0 | 0 | 118 | | |
| 194 | E | 31.6 | Very low | 30.4 | Very low | 176 Ų | 176 | 150.4 Ų | 150.4 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | | | trans | -111.9 | 109.5 | 163.6 | -73.8 | -179.6 | 174 | 0 | 0 | 110.1 | | |
| 195 | K | 35.7 | Very low | 29.9 | Very low | 205 Ų | 205 | 150.8 Ų | 150.8 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | | | trans | -63.2 | 133.2 | 163.6 | -75 | 172.6 | 178 | 170 | 0 | 109.1 | I197 | K195-I197 PolarHBondContact O-N 3.16Š|
| 196 | E | 30.6 | Very low | 29.5 | Very low | 179 Ų | 179 | 152.7 Ų | 152.7 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | | | trans | -67.4 | 119.7 | 179.5 | -163.8 | 177.9 | -162.6 | 0 | 0 | 111.1 | V198 | E196-V198 HydrophobicContact CG-CG2 4.4Š|
| 197 | I | 33.2 | Very low | 28.9 | Very low | 152 Ų | 152 | 151.3 Ų | 151.3 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | trans | -119.3 | 109.8 | 162 | -60.2 | 177.2 | 0 | 0 | 0 | 107.5 | K195 | K195-I197 PolarHBondContact O-N 3.16Š|
| 198 | V | 29.7 | Very low | 28.7 | Very low | 99 Ų | 99 | 151.2 Ų | 151.2 | 60% | 0.6 | 79% | 0.79 | S | S | * | * | | | trans | -73 | 119.3 | 172.9 | 174.1 | 0 | 0 | 0 | 0 | 109.2 | E196 K200 | E196-V198 HydrophobicContact CG-CG2 4.4Å; V198-K200 HydrophobicContact CG1-CG 4Å |
| 199 | V | 36.9 | Very low | 28.5 | Very low | 134 Ų | 134 | 150.3 Ų | 150.3 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | | | trans | -114.1 | 107.2 | 158.5 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 200 | K | 27.8 | Very low | 28.4 | Very low | 184 Ų | 184 | 148.6 Ų | 148.6 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | | | trans | -64.1 | 141.9 | 173.8 | -71.2 | 175.5 | 177.2 | 174.5 | 0 | 110.3 | V198 | V198-K200 HydrophobicContact CG1-CG 4Š|
| 201 | G | 19.8 | Very low | 28.1 | Very low | 83 Ų | 83 | 149.3 Ų | 149.3 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | | | trans | -67.1 | 176.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 202 | G | 22.8 | Very low | 28.1 | Very low | 80 Ų | 80 | 148.2 Ų | 148.2 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | -145.2 | 109.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 203 | A | 23.9 | Very low | 28.3 | Very low | 102 Ų | 102 | 153.4 Ų | 153.4 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | | | trans | -73.2 | 152.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 204 | K | 32.3 | Very low | 28 | Very low | 189 Ų | 189 | 154.8 Ų | 154.8 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | -170.6 | 114.6 | 144 | -107.1 | 171 | 176.5 | -178.6 | 0 | 107.5 | | |
| 205 | E | 22.7 | Very low | 28 | Very low | 161 Ų | 161 | 152.3 Ų | 152.3 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | | 50.3 | 134.2 | 83.4 | -89.1 | -165.4 | 147.3 | 0 | 0 | 111.7 | | |
| 206 | E | 23 | Very low | 27.4 | Very low | 123 Ų | 123 | 149 Ų | 149 | 58% | 0.575 | 78% | 0.782 | S | S | * | * | | | cis | -176.6 | 161.9 | 5.3 | -135.1 | -166.9 | 158.5 | 0 | 0 | 105 | | |
| 207 | K | 23 | Very low | 27.1 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 61% | 0.613 | 78% | 0.781 | S | S | * | * | | | trans | 70 | 118 | 144.7 | -77.2 | 174.7 | -178.4 | 138.6 | 0 | 122 | | |
| 208 | K | 26 | Very low | 26.8 | Very low | 186 Ų | 186 | 140.5 Ų | 140.5 | 81% | 0.809 | 78% | 0.781 | S | S | * | * | | | | 115.6 | 133.1 | 111.4 | -88.3 | 179 | 179.1 | -174.9 | 0 | 118.6 | | |
| 209 | E | 26.5 | Very low | 26.8 | Very low | 177 Ų | 177 | 146.2 Ų | 146.2 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | | | trans | -57.3 | 156.1 | 177.6 | -54.6 | 171.7 | 146.3 | 0 | 0 | 114.6 | | |
| 210 | P | 33.2 | Very low | 26.4 | Very low | 134 Ų | 134 | 143.1 Ų | 143.1 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | | | trans | -115.9 | 122 | 138.1 | 14.3 | 5.1 | 0 | 0 | 0 | 110.8 | | |
| 211 | R | 23.2 | Very low | 26.6 | Very low | 203 Ų | 203 | 139.6 Ų | 139.6 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | | | trans | -89.4 | 146.4 | 172.8 | 177.1 | 179.9 | 168.1 | 165.9 | 2.5 | 110.8 | | |
| 212 | E | 28.4 | Very low | 27.4 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 52% | 0.519 | 79% | 0.79 | S | S | . | * | | | trans | 62.5 | 119.4 | 161.2 | -86.7 | 175.1 | 129.1 | 0 | 0 | 121 | R214 | E212-R214 IonicContact OE1-NH1 3.99Š|
| 213 | K | 34.3 | Very low | 28 | Very low | 210 Ų | 210 | 146.6 Ų | 146.6 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | | | | -138.3 | 112 | 121.9 | -73.1 | -167.1 | -179.9 | 175.4 | 0 | 110.4 | | |
| 214 | R | 23.9 | Very low | 28.3 | Very low | 222 Ų | 222 | 152.4 Ų | 152.4 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -75.6 | 129.9 | 156 | -72.6 | 170.9 | 168.2 | 163.4 | -4.7 | 107.3 | E212 | E212-R214 IonicContact OE1-NH1 3.99Š|
| 215 | S | 30.2 | Very low | 28.4 | Very low | 123 Ų | 123 | 147 Ų | 147 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -132.7 | 128.8 | 154.1 | 53.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 216 | C | 23.4 | Very low | 28.9 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 91% | 0.912 | 79% | 0.787 | S | S | * | * | | | trans | -84.1 | 151.5 | 177 | 166.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 217 | G | 24.1 | Very low | 29.3 | Very low | 79 Ų | 79 | 142 Ų | 142 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | | | trans | 114 | 102.6 | 148.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 218 | G | 27.6 | Very low | 29.8 | Very low | 75 Ų | 75 | 141.8 Ų | 141.8 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | trans | 151.4 | 94.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G220 | G218-G220 PolarHBondContact O-N 3.24Š|
| 219 | K | 29.8 | Very low | 30.1 | Very low | 218 Ų | 218 | 135.6 Ų | 135.6 | 95% | 0.948 | 79% | 0.787 | S | S | * | * | | | trans | -55.3 | 129.4 | 172.3 | -75.9 | 175.9 | 174.3 | 177.1 | 0 | 110.3 | | |
| 220 | G | 28.5 | Very low | 30.6 | Very low | 69 Ų | 69 | 137.6 Ų | 137.6 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | 75.3 | 76.6 | 153.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | G218 | G218-G220 PolarHBondContact O-N 3.24Š|
| 221 | C | 32.6 | Very low | 30.9 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | | | trans | -161.3 | 99.6 | 146.3 | -98.1 | 0 | 0 | 0 | 0 | 108 | L223 | C221-L223 PolarHBondContact O-N 3.28Š|
| 222 | D | 35.5 | Very low | 31.7 | Very low | 159 Ų | 159 | 139.9 Ų | 139.9 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | | | trans | -68.6 | 56.6 | 170.6 | -72 | -54.6 | 0 | 0 | 0 | 111.7 | R224 | D222-R224 VanDerWaalsContact C-N 3.34Å; D222-R224 PolarHBondContact O-N 3.42Å |
| 223 | L | 35.3 | Very low | 32.3 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | | | trans | -98.6 | 64.1 | 170.4 | -69.9 | 172.6 | 0 | 0 | 0 | 109.4 | C221 G225 | C221-L223 PolarHBondContact O-N 3.28Å; L223-G225 PolarHBondContact O-N 2.89Å; L223-G225 VanDerWaalsContact O-N 3.13Å |
| 224 | R | 30.8 | Very low | 32.4 | Very low | 224 Ų | 224 | 135.7 Ų | 135.7 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | | | trans | -74.2 | 89.7 | 148.4 | -67.8 | -174.4 | -140.2 | -145.9 | 3.5 | 106.3 | D222 V226 | D222-R224 VanDerWaalsContact C-N 3.34Å; D222-R224 PolarHBondContact O-N 3.42Å; R224-V226 PolarHBondContact O-N 2.8Å |
| 225 | G | 33.5 | Very low | 32.8 | Very low | 74 Ų | 74 | 130.7 Ų | 130.7 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | | | trans | -56.1 | 104.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | L223 G227 | L223-G225 PolarHBondContact O-N 2.89Å; L223-G225 VanDerWaalsContact O-N 3.13Å; G225-G227 PolarHBondContact O-N 2.93Å; G225-G227 VanDerWaalsContact O-N 3.12Å |
| 226 | V | 34.1 | Very low | 33.7 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | | | trans | -68 | 102.5 | 169.7 | 178 | 0 | 0 | 0 | 0 | 106.5 | R224 | R224-V226 PolarHBondContact O-N 2.8Š|
| 227 | G | 30.5 | Very low | 34.7 | Very low | 52 Ų | 52 | 133.2 Ų | 133.2 | 54% | 0.536 | 75% | 0.745 | S | S | . | * | | | trans | -57.9 | 161.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | G225 G229 | G225-G227 PolarHBondContact O-N 2.93Å; G225-G227 VanDerWaalsContact O-N 3.12Å; G227-G229 PolarHBondContact O-N 3.05Å |
| 228 | P | 34.6 | Very low | 36.2 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 89% | 0.89 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -66.2 | 87.5 | -156 | 28.9 | -35.3 | 0 | 0 | 0 | 112.2 | | |
| 229 | G | 31.9 | Very low | 37 | Very low | 55 Ų | 55 | 132.4 Ų | 132.4 | 57% | 0.567 | 73% | 0.729 | S | S | * | * | | | trans | -102.6 | 105.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109 | G227 E231 | G227-G229 PolarHBondContact O-N 3.05Å; G229-E231 PolarHBondContact O-N 3.33Å |
| 230 | Y | 37.8 | Very low | 37.5 | Very low | 220 Ų | 220 | 129 Ų | 129 | 86% | 0.863 | 71% | 0.714 | S | S | * | * | | | trans | -26.1 | 118.9 | 169.5 | -57.4 | -92.3 | 0 | 0 | 0 | 113.6 | K232 | Y230-K232 PolarHBondContact O-N 2.74Š|
| 231 | E | 38.7 | Very low | 37.9 | Very low | 195 Ų | 195 | 132.6 Ų | 132.6 | 91% | 0.911 | 71% | 0.71 | S | S | * | * | | | trans | -57.3 | 114.6 | 169.8 | -83.9 | -177.9 | 154.7 | 0 | 0 | 109 | G229 S233 | G229-E231 PolarHBondContact O-N 3.33Å; E231-S233 PolarHBondContact O-N 3.29Å |
| 232 | K | 39.7 | Very low | 38.5 | Very low | 190 Ų | 190 | 134.1 Ų | 134.1 | 83% | 0.826 | 70% | 0.704 | S | S | * | * | | | trans | -58.9 | 107.7 | 169.9 | -71.8 | 176 | 179.7 | 175.1 | 0 | 107.5 | Y230 Y234 | Y230-K232 PolarHBondContact O-N 2.74Å; K232-Y234 WeakPolarHBondContact O-CD1 3.37Å; K232-Y234 PolarHBondContact O-N 3.17Å |
| 233 | S | 40.7 | Very low | 38.9 | Very low | 67 Ų | 67 | 128 Ų | 128 | 47% | 0.469 | 68% | 0.679 | S | S | . | * | | | trans | -60.3 | 122.1 | 168.2 | 51.6 | 0 | 0 | 0 | 0 | 109.4 | E231 | E231-S233 PolarHBondContact O-N 3.29Š|
| 234 | Y | 37 | Very low | 39.3 | Very low | 165 Ų | 165 | 124.4 Ų | 124.4 | 65% | 0.647 | 68% | 0.679 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.1 | 150.9 | 172 | 55.2 | -89 | 0 | 0 | 0 | 109.7 | K232 D236 | K232-Y234 WeakPolarHBondContact O-CD1 3.37Å; K232-Y234 PolarHBondContact O-N 3.17Å; Y234-D236 VanDerWaalsContact CE2-OD1 3.23Å; Y234-D236 WeakPolarHBondContact CE2-OD1 3.31Å |
| 235 | L | 31.6 | Very low | 39.5 | Very low | 117 Ų | 117 | 118.6 Ų | 118.6 | 61% | 0.613 | 68% | 0.678 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.1 | 118.2 | 174 | -98.9 | 148.9 | 0 | 0 | 0 | 107.9 | | |
| 236 | D | 49.3 | Very low | 39.7 | Very low | 58 Ų | 58 | 125.6 Ų | 125.6 | 31% | 0.31 | 68% | 0.682 | S | S | . | * | | | trans | -66.7 | 150.9 | 170.1 | -72.4 | -25.1 | 0 | 0 | 0 | 109.6 | Y234 A238 G239 K242 | Y234-D236 VanDerWaalsContact CE2-OD1 3.23Å; Y234-D236 WeakPolarHBondContact CE2-OD1 3.31Å; D236-A238 PolarHBondContact O-N 3.36Å; D236-G239 PolarHBondContact O-N 3.01Å; D236-K242 IonicContact OD2-NZ 3.74Å |
| 237 | Y | 45.3 | Very low | 40 | Very low | 254 Ų | 254 | 129.1 Ų | 129.1 | 100% | 0.996 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.4 | -23.1 | 179.4 | -94.5 | -87.9 | 0 | 0 | 0 | 114.7 | G239 | Y237-G239 VanDerWaalsContact C-N 3.29Å; Y237-G239 PolarHBondContact O-N 3.4Å |
| 238 | A | 56.2 | Low | 40.1 | Very low | 81 Ų | 81 | 135.6 Ų | 135.6 | 67% | 0.669 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 8.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D236 K240 | D236-A238 PolarHBondContact O-N 3.36Å; A238-K240 VanDerWaalsContact C-N 3.33Å; A238-K240 PolarHBondContact O-N 3.28Å |
| 239 | G | 44.3 | Very low | 40 | Very low | 56 Ų | 56 | 136.5 Ų | 136.5 | 58% | 0.577 | 70% | 0.697 | S | S | * | * | | | trans | 73.7 | 15.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | D236 Y237 | D236-G239 PolarHBondContact O-N 3.01Å; Y237-G239 VanDerWaalsContact C-N 3.29Å; Y237-G239 PolarHBondContact O-N 3.4Å |
| 240 | K | 40.3 | Very low | 40.1 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 64% | 0.639 | 70% | 0.695 | S | S | * | * | | | trans | -89.9 | 115.9 | -179 | -65.7 | -175 | -178.7 | 179.4 | 0 | 110.8 | A238 K242 | A238-K240 VanDerWaalsContact C-N 3.33Å; A238-K240 PolarHBondContact O-N 3.28Å; K240-K242 PolarHBondContact O-N 3.48Å |
| 241 | F | 35.6 | Very low | 40 | Very low | 143 Ų | 143 | 135.3 Ų | 135.3 | 63% | 0.627 | 70% | 0.695 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.4 | 112.2 | 177.8 | -169.8 | -96.1 | 0 | 0 | 0 | 110.8 | | |
| 242 | K | 46.1 | Very low | 39.5 | Very low | 143 Ų | 143 | 135 Ų | 135 | 62% | 0.622 | 69% | 0.687 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.8 | 92.7 | 168.3 | -74.5 | 177.5 | -178.4 | 161.8 | 0 | 108.3 | D236 K240 | D236-K242 IonicContact OD2-NZ 3.74Å; K240-K242 PolarHBondContact O-N 3.48Å |
| 243 | G | 44.1 | Very low | 38.9 | Very low | 30 Ų | 30 | 135.3 Ų | 135.3 | 31% | 0.309 | 69% | 0.691 | S | S | . | * | | | trans | -152.3 | 123.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 244 | G | 42.7 | Very low | 38.7 | Very low | 77 Ų | 77 | 140.5 Ų | 140.5 | 79% | 0.794 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 145 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115 | R246 | G244-R246 PolarHBondContact O-N 3.24Š|
| 245 | A | 36.6 | Very low | 38.3 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -49 | 119.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | K247 | A245-K247 PolarHBondContact O-N 3.3Š|
| 246 | R | 37 | Very low | 38.4 | Very low | 220 Ų | 220 | 141 Ų | 141 | 83% | 0.83 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 117.7 | 167.8 | -71.1 | -179.9 | 173.3 | -170.8 | -2.1 | 108.8 | G244 F248 | G244-R246 PolarHBondContact O-N 3.24Å; R246-F248 PolarHBondContact O-N 3.47Å |
| 247 | K | 39.7 | Very low | 37.5 | Very low | 203 Ų | 203 | 143.5 Ų | 143.5 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | | | trans | -70.1 | 107.2 | 162.9 | -66.9 | -178.6 | -179.9 | 179.5 | 0 | 107.3 | A245 L249 | A245-K247 PolarHBondContact O-N 3.3Å; K247-L249 PolarHBondContact O-N 2.79Å |
| 248 | F | 33.5 | Very low | 37 | Very low | 188 Ų | 188 | 140.3 Ų | 140.3 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 117.5 | 164 | -72.4 | -90.3 | 0 | 0 | 0 | 107.2 | R246 | R246-F248 PolarHBondContact O-N 3.47Š|
| 249 | L | 32.5 | Very low | 35.7 | Very low | 155 Ų | 155 | 145.3 Ų | 145.3 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 134 | 164.7 | -73.3 | 168.8 | 0 | 0 | 0 | 107.7 | K247 I251 | K247-L249 PolarHBondContact O-N 2.79Å; L249-I251 PolarHBondContact O-N 2.88Å |
| 250 | P | 32.7 | Very low | 35.2 | Very low | 82 Ų | 82 | 152 Ų | 152 | 53% | 0.532 | 76% | 0.756 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 135.2 | -179.7 | -16.5 | 27 | 0 | 0 | 0 | 111.5 | Y252 | P250-Y252 HydrophobicContact CB-CD2 4.19Å; P250-Y252 HydrophobicContact CB-CE2 3.66Å; P250-Y252 HydrophobicContact CG-CE2 4Å; P250-Y252 WeakPolarHBondContact O-CD2 3.43Å; P250-Y252 PolarHBondContact O-N 3.39Å |
| 251 | I | 35.7 | Very low | 34.5 | Very low | 169 Ų | 169 | 153.7 Ų | 153.7 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | | | trans | -80 | 98.8 | 171.9 | -56.6 | 170.7 | 0 | 0 | 0 | 106.4 | L249 | L249-I251 PolarHBondContact O-N 2.88Š|
| 252 | Y | 29.1 | Very low | 34.5 | Very low | 188 Ų | 188 | 153 Ų | 153 | 74% | 0.737 | 77% | 0.773 | S | S | * | * | | | trans | -82.9 | 118.4 | 170.1 | -64.9 | -82.3 | 0 | 0 | 0 | 108.6 | P250 K254 | P250-Y252 HydrophobicContact CB-CD2 4.19Å; P250-Y252 HydrophobicContact CB-CE2 3.66Å; P250-Y252 HydrophobicContact CG-CE2 4Å; P250-Y252 WeakPolarHBondContact O-CD2 3.43Å; P250-Y252 PolarHBondContact O-N 3.39Å; Y252-K254 PolarHBondContact O-N 3.26Å |
| 253 | Q | 27.3 | Very low | 33.9 | Very low | 196 Ų | 196 | 151.6 Ų | 151.6 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | | | trans | -68.5 | 113.2 | 159.2 | -86.7 | 177.1 | -30.6 | 0 | 0 | 106.7 | | |
| 254 | K | 35.3 | Very low | 33.3 | Very low | 177 Ų | 177 | 156.6 Ų | 156.6 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | | | trans | -110.8 | 100.5 | 176.9 | -159.9 | -177.8 | -177.4 | -172.4 | 0 | 106.5 | Y252 V256 | Y252-K254 PolarHBondContact O-N 3.26Å; K254-V256 HydrophobicContact CB-CG2 4.38Å; K254-V256 HydrophobicContact CD-CG2 3.99Å; K254-V256 HydrophobicContact CG-CG2 3.9Å; K254-V256 PolarHBondContact O-N 3.25Å |
| 255 | E | 29 | Very low | 32.8 | Very low | 193 Ų | 193 | 162.1 Ų | 162.1 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | | | trans | -72.5 | 111.9 | 161.4 | -69.5 | -177.8 | 170.7 | 0 | 0 | 106 | | |
| 256 | V | 33.8 | Very low | 32.1 | Very low | 99 Ų | 99 | 160.5 Ų | 160.5 | 60% | 0.6 | 80% | 0.796 | S | S | * | * | | | trans | -98.1 | 96.7 | -179.9 | -177.4 | 0 | 0 | 0 | 0 | 106.4 | K254 | K254-V256 HydrophobicContact CB-CG2 4.38Å; K254-V256 HydrophobicContact CD-CG2 3.99Å; K254-V256 HydrophobicContact CG-CG2 3.9Å; K254-V256 PolarHBondContact O-N 3.25Å |
| 257 | S | 30.9 | Very low | 31.3 | Very low | 111 Ų | 111 | 153.7 Ų | 153.7 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -79.8 | 121.7 | 155.7 | 44.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 258 | E | 34 | Very low | 30.4 | Very low | 186 Ų | 186 | 151 Ų | 151 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | | | trans | 53.5 | 107 | 158.6 | -61.1 | -176.3 | 176.3 | 0 | 0 | 118.7 | K260 | E258-K260 PolarHBondContact O-N 3.24Š|
| 259 | E | 28.6 | Very low | 30.2 | Very low | 187 Ų | 187 | 145.3 Ų | 145.3 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -54.9 | 112.3 | 171.8 | -57.4 | 174.4 | 155.9 | 0 | 0 | 111.9 | | |
| 260 | K | 34.7 | Very low | 29.7 | Very low | 195 Ų | 195 | 142.6 Ų | 142.6 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | | | trans | -116.7 | 109.4 | 150.7 | -82 | -179.3 | 179 | 171.8 | 0 | 108.2 | E258 V262 | E258-K260 PolarHBondContact O-N 3.24Å; K260-V262 PolarHBondContact O-N 3.35Å |
| 261 | E | 25.6 | Very low | 29.6 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | -54.4 | 119.1 | 166.4 | -75.5 | -173.5 | 136.4 | 0 | 0 | 109.6 | | |
| 262 | V | 35.8 | Very low | 29 | Very low | 128 Ų | 128 | 148.2 Ų | 148.2 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | trans | -119.3 | 100.2 | 158.5 | -176.3 | 0 | 0 | 0 | 0 | 107.5 | K260 V264 | K260-V262 PolarHBondContact O-N 3.35Å; V262-V264 PolarHBondContact O-N 2.81Å; V262-V264 VanDerWaalsContact O-N 3.16Å |
| 263 | V | 34.1 | Very low | 28.8 | Very low | 113 Ų | 113 | 146.7 Ų | 146.7 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | | | trans | -59.1 | 108.4 | 174.1 | 174.8 | 0 | 0 | 0 | 0 | 109.4 | K265 | V263-K265 HydrophobicContact CG1-CG 4.3Å; V263-K265 PolarHBondContact O-N 2.89Å; V263-K265 VanDerWaalsContact O-N 3.13Å |
| 264 | V | 31.5 | Very low | 28.8 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -74.8 | 97.1 | 166 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | V262 G266 | V262-V264 PolarHBondContact O-N 2.81Å; V262-V264 VanDerWaalsContact O-N 3.16Å; V264-G266 PolarHBondContact O-N 3.06Å |
| 265 | K | 32 | Very low | 28.4 | Very low | 194 Ų | 194 | 146.6 Ų | 146.6 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | | | trans | -69.7 | 109 | 161.4 | -80.4 | -175.9 | 176.6 | 175.8 | 0 | 107.9 | V263 | V263-K265 HydrophobicContact CG1-CG 4.3Å; V263-K265 PolarHBondContact O-N 2.89Å; V263-K265 VanDerWaalsContact O-N 3.13Å |
| 266 | G | 21.6 | Very low | 28.4 | Very low | 68 Ų | 68 | 146.9 Ų | 146.9 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | trans | -70.4 | 174.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | V264 | V264-G266 PolarHBondContact O-N 3.06Š|
| 267 | G | 19.5 | Very low | 28.2 | Very low | 76 Ų | 76 | 150.8 Ų | 150.8 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | | | trans | 114.5 | 105.3 | 141.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 268 | C | 21.6 | Very low | 28.2 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 99% | 0.986 | 82% | 0.818 | S | S | * | * | | | | 81.1 | 137.9 | 127.1 | -115 | 0 | 0 | 0 | 0 | 122 | | |
| 269 | G | 28.1 | Very low | 28 | Very low | 69 Ų | 69 | 154.4 Ų | 154.4 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | | | trans | 122.7 | 86.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 270 | A | 23.6 | Very low | 28 | Very low | 99 Ų | 99 | 154.3 Ų | 154.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | | 49.5 | 90.8 | 58.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 271 | K | 28.8 | Very low | 28 | Very low | 197 Ų | 197 | 154.9 Ų | 154.9 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | | | trans | -172.1 | 102.1 | 149.5 | -96.5 | 178.4 | -173.8 | -171.2 | 0 | 105.4 | | |
| 272 | E | 23.5 | Very low | 28.3 | Very low | 172 Ų | 172 | 157.9 Ų | 157.9 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | | | | 72.2 | 120.5 | 75.7 | -164.9 | 168.7 | -138.7 | 0 | 0 | 112.7 | | |
| 273 | E | 25.3 | Very low | 27.7 | Very low | 156 Ų | 156 | 157 Ų | 157 | 73% | 0.729 | 83% | 0.826 | S | S | * | * | | | trans | 63.2 | 108.2 | 162.1 | -71.6 | -172 | 149.6 | 0 | 0 | 120.9 | | |
| 274 | E | 28.1 | Very low | 27.3 | Very low | 191 Ų | 191 | 158 Ų | 158 | 89% | 0.893 | 84% | 0.837 | S | S | * | * | | | | -149.3 | 120.5 | 118.5 | -140.5 | 179.1 | -169.3 | 0 | 0 | 110.9 | | |
| 275 | K | 26.4 | Very low | 26.9 | Very low | 179 Ų | 179 | 154.8 Ų | 154.8 | 78% | 0.778 | 83% | 0.831 | S | S | * | * | | | trans | -64.1 | 129.4 | 173.7 | -70.2 | 166.7 | 176.9 | 166.8 | 0 | 109.6 | | |
| 276 | K | 28.9 | Very low | 26.8 | Very low | 199 Ų | 199 | 154.2 Ų | 154.2 | 87% | 0.865 | 83% | 0.831 | S | S | * | * | | | trans | -119.6 | 117.8 | 149.5 | -81.6 | -172.4 | 176.9 | 178.6 | 0 | 108.8 | | |
| 277 | E | 29.8 | Very low | 27.2 | Very low | 182 Ų | 182 | 159.8 Ų | 159.8 | 85% | 0.85 | 84% | 0.836 | S | S | * | * | | | trans | -54.9 | 139.3 | 177.8 | -66.9 | 175.2 | 152.7 | 0 | 0 | 111.4 | R279 | E277-R279 PolarHBondContact O-N 2.9Š|
| 278 | P | 30.4 | Very low | 27.6 | Very low | 128 Ų | 128 | 161.7 Ų | 161.7 | 83% | 0.831 | 84% | 0.835 | S | S | * | * | | | trans | -72.9 | 110.1 | 172.4 | 28.7 | -30.2 | 0 | 0 | 0 | 109.5 | E280 | P278-E280 PolarHBondContact O-N 3.29Š|
| 279 | R | 29.7 | Very low | 28 | Very low | 245 Ų | 245 | 162 Ų | 162 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 126.2 | 172.2 | -150.3 | 175.9 | -172.1 | 179.5 | 2.7 | 110.1 | E277 K281 | E277-R279 PolarHBondContact O-N 2.9Å; R279-K281 PolarHBondContact O-N 3.17Å |
| 280 | E | 28.6 | Very low | 28.3 | Very low | 185 Ų | 185 | 164.9 Ų | 164.9 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -46 | 126.8 | 176.3 | -73.2 | 174.5 | 125.8 | 0 | 0 | 112.9 | P278 | P278-E280 PolarHBondContact O-N 3.29Š|
| 281 | K | 36 | Very low | 28.7 | Very low | 207 Ų | 207 | 167.8 Ų | 167.8 | 90% | 0.9 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 118.7 | 151.3 | -78 | -175.7 | 178.9 | 178.7 | 0 | 107.4 | R279 | R279-K281 PolarHBondContact O-N 3.17Š|
| 282 | R | 30.2 | Very low | 28.8 | Very low | 246 Ų | 246 | 168.7 Ų | 168.7 | 93% | 0.928 | 83% | 0.825 | S | S | * | * | | | trans | -43.9 | 133 | 179.9 | -70.8 | 173.9 | 173.7 | 161.1 | -3.6 | 112.8 | | |
| 283 | S | 24.2 | Very low | 29 | Very low | 111 Ų | 111 | 164.3 Ų | 164.3 | 78% | 0.776 | 83% | 0.827 | S | S | * | * | | | trans | -67.1 | 147.1 | 160.1 | 51.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 284 | C | 25.2 | Very low | 29.2 | Very low | 134 Ų | 134 | 163.3 Ų | 163.3 | 91% | 0.905 | 83% | 0.831 | S | S | * | * | | | trans | 143.7 | 119.1 | 151.8 | -92.4 | 0 | 0 | 0 | 0 | 105.9 | | |
| 285 | G | 24.3 | Very low | 29.4 | Very low | 67 Ų | 67 | 156.7 Ų | 156.7 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | | | cis | 150.6 | 142.2 | 20.5 | 0 | 0 | 0 | 0 | 0 | 105.2 | | |
| 286 | E | 30 | Very low | 29.7 | Very low | 182 Ų | 182 | 153.5 Ų | 153.5 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | | | trans | 65.6 | 112 | 166.8 | -63.6 | -171.3 | 124.5 | 0 | 0 | 119.6 | | |
| 287 | K | 28.2 | Very low | 29.7 | Very low | 185 Ų | 185 | 147 Ų | 147 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | 65.2 | 74.3 | 152.2 | -59.9 | -179.5 | -177.5 | 173.5 | 0 | 117.5 | | |
| 288 | C | 28.1 | Very low | 30 | Very low | 115 Ų | 115 | 148.2 Ų | 148.2 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | | | trans | -138.3 | 77.1 | 145.4 | -75.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 289 | D | 30.5 | Very low | 30.4 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -60.8 | 139.7 | 150.4 | -65.6 | -55.4 | 0 | 0 | 0 | 107.4 | | |
| 290 | D | 33.7 | Very low | 30.8 | Very low | 129 Ų | 129 | 147.4 Ų | 147.4 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | | | trans | 81.3 | 57.6 | -176.6 | -57.7 | -38.6 | 0 | 0 | 0 | 118.6 | | |
| 291 | L | 32.2 | Very low | 31.3 | Very low | 161 Ų | 161 | 141.9 Ų | 141.9 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | | | trans | -120.4 | 75.8 | 142.8 | -73 | 175.6 | 0 | 0 | 0 | 110 | G293 | L291-G293 PolarHBondContact O-N 3.39Š|
| 292 | R | 30.7 | Very low | 31.4 | Very low | 215 Ų | 215 | 138.8 Ų | 138.8 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | | | trans | -52.5 | 119.7 | 155.3 | -108.5 | 175.1 | -84 | -168.1 | -5.8 | 107.5 | V294 | R292-V294 PolarHBondContact O-N 2.97Š|
| 293 | G | 29.4 | Very low | 31.4 | Very low | 81 Ų | 81 | 133 Ų | 133 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | | | trans | -56 | 104 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L291 G295 | L291-G293 PolarHBondContact O-N 3.39Å; G293-G295 PolarHBondContact O-N 3.42Å |
| 294 | V | 29.2 | Very low | 32.4 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | | | trans | -87.9 | 86.3 | 161.8 | -174.1 | 0 | 0 | 0 | 0 | 105.7 | R292 | R292-V294 PolarHBondContact O-N 2.97Š|
| 295 | G | 30.9 | Very low | 33.2 | Very low | 52 Ų | 52 | 138 Ų | 138 | 54% | 0.536 | 74% | 0.74 | S | S | . | * | | | trans | -53.9 | 154.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | G293 G297 | G293-G295 PolarHBondContact O-N 3.42Å; G295-G297 PolarHBondContact O-N 3.11Å |
| 296 | P | 33.6 | Very low | 34.5 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | | | trans | -55.5 | 97.8 | -169.1 | 21.9 | -32.4 | 0 | 0 | 0 | 110.8 | Y298 | P296-Y298 WeakPolarHBondContact O-CD2 3.23Å; P296-Y298 PolarHBondContact O-N 3.04Å |
| 297 | G | 29.9 | Very low | 35 | Very low | 62 Ų | 62 | 132.8 Ų | 132.8 | 64% | 0.639 | 73% | 0.726 | S | S | * | * | | | trans | -69.5 | 101.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107 | G295 E299 | G295-G297 PolarHBondContact O-N 3.11Å; G297-E299 PolarHBondContact O-N 3.39Å |
| 298 | Y | 36.1 | Very low | 35.5 | Very low | 208 Ų | 208 | 130 Ų | 130 | 82% | 0.816 | 71% | 0.714 | S | S | * | * | | | trans | -57.2 | 112.1 | 166.3 | -60.7 | -86 | 0 | 0 | 0 | 107.6 | P296 K300 | P296-Y298 WeakPolarHBondContact O-CD2 3.23Å; P296-Y298 PolarHBondContact O-N 3.04Å; Y298-K300 PolarHBondContact O-N 3.04Å |
| 299 | E | 37.4 | Very low | 35.8 | Very low | 191 Ų | 191 | 131.1 Ų | 131.1 | 89% | 0.893 | 71% | 0.706 | S | S | * | * | | | trans | -55.1 | 115.2 | 170.9 | -81 | -176.8 | 154.5 | 0 | 0 | 108.2 | G297 S301 | G297-E299 PolarHBondContact O-N 3.39Å; E299-S301 PolarHBondContact O-N 3.1Å; E299-S301 VanDerWaalsContact O-N 3.1Å |
| 300 | K | 37.9 | Very low | 36.3 | Very low | 165 Ų | 165 | 131.7 Ų | 131.7 | 72% | 0.717 | 70% | 0.702 | S | S | * | * | | | trans | -58.8 | 115.2 | 173.2 | -74.4 | 172.2 | -179.5 | 170.4 | 0 | 107.7 | Y298 F302 | Y298-K300 PolarHBondContact O-N 3.04Å; K300-F302 HydrophobicContact CB-CD2 4.22Å; K300-F302 HydrophobicContact CB-CE1 4.11Å; K300-F302 HydrophobicContact CB-CE2 3.44Å; K300-F302 VanDerWaalsContact CB-CE2 3.44Å; K300-F302 HydrophobicContact CB-CZ 3.38Å; K300-F302 HydrophobicContact CD-CE1 4.41Å; K300-F302 HydrophobicContact CD-CZ 3.75Å; K300-F302 HydrophobicContact CG-CZ 4.2Å; K300-F302 WeakPolarHBondContact O-CD2 3.42Å; K300-F302 VanDerWaalsContact O-CE2 3.23Å; K300-F302 WeakPolarHBondContact O-CE2 3.5Å; K300-F302 PolarHBondContact O-N 3.2Å |
| 301 | S | 38.6 | Very low | 36.7 | Very low | 70 Ų | 70 | 127 Ų | 127 | 49% | 0.49 | 68% | 0.684 | S | S | . | * | | | trans | -70.4 | 118.8 | 168.3 | 54.9 | 0 | 0 | 0 | 0 | 108.7 | E299 | E299-S301 PolarHBondContact O-N 3.1Å; E299-S301 VanDerWaalsContact O-N 3.1Å |
| 302 | F | 40 | Very low | 37 | Very low | 141 Ų | 141 | 123.1 Ų | 123.1 | 62% | 0.618 | 68% | 0.683 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.9 | 141.5 | 172.9 | -58 | -82.3 | 0 | 0 | 0 | 109.4 | K300 | K300-F302 HydrophobicContact CB-CD2 4.22Å; K300-F302 HydrophobicContact CB-CE1 4.11Å; K300-F302 HydrophobicContact CB-CE2 3.44Å; K300-F302 VanDerWaalsContact CB-CE2 3.44Å; K300-F302 HydrophobicContact CB-CZ 3.38Å; K300-F302 HydrophobicContact CD-CE1 4.41Å; K300-F302 HydrophobicContact CD-CZ 3.75Å; K300-F302 HydrophobicContact CG-CZ 4.2Å; K300-F302 WeakPolarHBondContact O-CD2 3.42Å; K300-F302 VanDerWaalsContact O-CE2 3.23Å; K300-F302 WeakPolarHBondContact O-CE2 3.5Å; K300-F302 PolarHBondContact O-N 3.2Å |
| 303 | L | 29.4 | Very low | 37.3 | Very low | 125 Ų | 125 | 117.7 Ų | 117.7 | 65% | 0.654 | 68% | 0.684 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.3 | 118.9 | 167.1 | -108.9 | 108.8 | 0 | 0 | 0 | 107.6 | F309 | L303-F309 HydrophobicContact CD1-CD2 4.11Å |
| 304 | D | 45 | Very low | 37.5 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 52% | 0.524 | 68% | 0.684 | S | S | . | * | | | trans | -71.9 | 153 | 168.9 | -70.5 | -25.9 | 0 | 0 | 0 | 109.9 | A306 G307 | D304-A306 PolarHBondContact O-N 3.35Å; D304-G307 PolarHBondContact O-N 3.2Å |
| 305 | Y | 42.9 | Very low | 38 | Very low | 252 Ų | 252 | 127.8 Ų | 127.8 | 99% | 0.988 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -20.2 | -176.3 | -132.7 | -92.8 | 0 | 0 | 0 | 114.2 | G307 | Y305-G307 VanDerWaalsContact C-N 3.34Š|
| 306 | A | 50.7 | Low | 38 | Very low | 85 Ų | 85 | 134.4 Ų | 134.4 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 7.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D304 K308 | D304-A306 PolarHBondContact O-N 3.35Å; A306-K308 PolarHBondContact O-N 3.32Å |
| 307 | G | 41.2 | Very low | 37.9 | Very low | 54 Ų | 54 | 136.5 Ų | 136.5 | 56% | 0.557 | 71% | 0.706 | S | S | * | * | | | trans | 75.9 | 13.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | D304 Y305 | D304-G307 PolarHBondContact O-N 3.2Å; Y305-G307 VanDerWaalsContact C-N 3.34Å |
| 308 | K | 37.6 | Very low | 38 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 55% | 0.548 | 70% | 0.703 | S | S | . | * | | | trans | -90.2 | 119 | 179.4 | -65.3 | -172.4 | 180 | -176.4 | 0 | 111.1 | A306 K310 Y373 | A306-K308 PolarHBondContact O-N 3.32Å; K308-K310 PolarHBondContact O-N 2.93Å; K308-Y373 PolarHBondContact NZ-OH 3.4Å |
| 309 | F | 34.4 | Very low | 37.7 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 61% | 0.614 | 70% | 0.704 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80 | 112.7 | 178.6 | -167.7 | -96.3 | 0 | 0 | 0 | 110.7 | L303 | L303-F309 HydrophobicContact CD1-CD2 4.11Å |
| 310 | K | 42 | Very low | 37.2 | Very low | 165 Ų | 165 | 136 Ų | 136 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114 | 95.2 | 168.2 | -75 | -177.6 | 177.6 | 174.3 | 0 | 108.5 | K308 | K308-K310 PolarHBondContact O-N 2.93Å |
| 311 | G | 40.7 | Very low | 36.6 | Very low | 31 Ų | 31 | 137.3 Ų | 137.3 | 32% | 0.32 | 71% | 0.707 | S | S | . | * | | | trans | -162.2 | 131.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 312 | G | 40.1 | Very low | 36.3 | Very low | 79 Ų | 79 | 142.8 Ų | 142.8 | 81% | 0.814 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 139.2 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R314 | G312-R314 PolarHBondContact O-N 3.33Š|
| 313 | A | 35.7 | Very low | 35.7 | Very low | 101 Ų | 101 | 145 Ų | 145 | 84% | 0.835 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 119.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K315 | A313-K315 PolarHBondContact O-N 2.83Š|
| 314 | R | 35.4 | Very low | 35.8 | Very low | 222 Ų | 222 | 144.2 Ų | 144.2 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -67 | 121.9 | 166.5 | -77.6 | 179.4 | 168.7 | -172.1 | -3.7 | 109 | G312 F316 | G312-R314 PolarHBondContact O-N 3.33Å; R314-F316 PolarHBondContact O-N 2.89Å; R314-F316 VanDerWaalsContact O-N 3.16Å |
| 315 | K | 39.1 | Very low | 35 | Very low | 206 Ų | 206 | 144.9 Ų | 144.9 | 90% | 0.896 | 75% | 0.747 | S | S | * | * | | | trans | -65.5 | 106.4 | 165.2 | -64.6 | 179.8 | -179.8 | -179.9 | 0 | 107.9 | A313 L317 | A313-K315 PolarHBondContact O-N 2.83Å; K315-L317 PolarHBondContact O-N 3.39Å |
| 316 | F | 30.8 | Very low | 34.4 | Very low | 190 Ų | 190 | 142.1 Ų | 142.1 | 83% | 0.833 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 116.9 | 163.9 | -73.9 | -89.2 | 0 | 0 | 0 | 107.3 | R314 | R314-F316 PolarHBondContact O-N 2.89Å; R314-F316 VanDerWaalsContact O-N 3.16Å |
| 317 | L | 31.1 | Very low | 33.5 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 131.5 | 164.4 | -73.4 | 169.9 | 0 | 0 | 0 | 107.5 | K315 | K315-L317 PolarHBondContact O-N 3.39Š|
| 318 | P | 31.3 | Very low | 33.1 | Very low | 88 Ų | 88 | 153.6 Ų | 153.6 | 57% | 0.571 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 136.1 | -178 | 20.5 | -29.2 | 0 | 0 | 0 | 111.6 | Y320 | P318-Y320 HydrophobicContact CB-CE2 4.49Å; P318-Y320 HydrophobicContact CG-CE2 4.04Å; P318-Y320 WeakPolarHBondContact O-CD2 3.09Å; P318-Y320 PolarHBondContact O-N 2.72Å |
| 319 | I | 30.9 | Very low | 32.5 | Very low | 164 Ų | 164 | 156.2 Ų | 156.2 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | | | trans | -78.7 | 107.5 | 176.6 | -57.9 | 169.2 | 0 | 0 | 0 | 106.9 | | |
| 320 | Y | 27.1 | Very low | 32.5 | Very low | 197 Ų | 197 | 155.4 Ų | 155.4 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | trans | -83.7 | 114.6 | 169.3 | -66.9 | -84.5 | 0 | 0 | 0 | 108.5 | P318 K322 | P318-Y320 HydrophobicContact CB-CE2 4.49Å; P318-Y320 HydrophobicContact CG-CE2 4.04Å; P318-Y320 WeakPolarHBondContact O-CD2 3.09Å; P318-Y320 PolarHBondContact O-N 2.72Å; Y320-K322 PolarHBondContact O-N 3.04Å |
| 321 | Q | 24.6 | Very low | 32 | Very low | 193 Ų | 193 | 152.9 Ų | 152.9 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | | | trans | -69.4 | 119 | 159.3 | -82.6 | 175.6 | -32.5 | 0 | 0 | 107.1 | | |
| 322 | K | 31.5 | Very low | 31.7 | Very low | 186 Ų | 186 | 157.2 Ų | 157.2 | 81% | 0.809 | 80% | 0.803 | S | S | * | * | | | trans | -115 | 103.9 | 177 | -165.7 | -178.7 | -177.9 | -170.8 | 0 | 107.2 | Y320 | Y320-K322 PolarHBondContact O-N 3.04Š|
| 323 | E | 27.9 | Very low | 31.2 | Very low | 188 Ų | 188 | 162.3 Ų | 162.3 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | | | trans | -74.9 | 130.1 | 166.4 | -67.1 | 179.8 | 169.3 | 0 | 0 | 107.9 | | |
| 324 | V | 30.9 | Very low | 30.6 | Very low | 108 Ų | 108 | 161.5 Ų | 161.5 | 66% | 0.655 | 80% | 0.804 | S | S | * | * | | | trans | -100.2 | 108.6 | -175.2 | -177.9 | 0 | 0 | 0 | 0 | 107.5 | E327 | V324-E327 HydrophobicContact CG1-CG 4.4Š|
| 325 | S | 29.4 | Very low | 30 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | -102.2 | 124.6 | 161.1 | 49.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 326 | E | 30.4 | Very low | 29.1 | Very low | 194 Ų | 194 | 151.4 Ų | 151.4 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | | | trans | 35.1 | 98 | 161.7 | -61.5 | -178 | 177.1 | 0 | 0 | 118.1 | K328 | E326-K328 PolarHBondContact O-N 3.47Š|
| 327 | E | 30.5 | Very low | 29 | Very low | 178 Ų | 178 | 145.8 Ų | 145.8 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | trans | -70.9 | 109.4 | 175 | -60.7 | -178 | 156.2 | 0 | 0 | 111.5 | V324 | V324-E327 HydrophobicContact CG1-CG 4.4Š|
| 328 | K | 33.2 | Very low | 28.6 | Very low | 202 Ų | 202 | 143 Ų | 143 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | | | trans | -85.8 | 119.4 | 147.7 | -86.9 | 179 | 178 | 172.1 | 0 | 108 | E326 V330 | E326-K328 PolarHBondContact O-N 3.47Å; K328-V330 PolarHBondContact O-N 3.29Å; K328-V330 VanDerWaalsContact O-N 3.17Å |
| 329 | E | 25.9 | Very low | 28.4 | Very low | 181 Ų | 181 | 148.8 Ų | 148.8 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | | | trans | -52.9 | 116.6 | 172.7 | -73.5 | -175.8 | 143 | 0 | 0 | 110.8 | | |
| 330 | V | 33.4 | Very low | 28.1 | Very low | 123 Ų | 123 | 150.2 Ų | 150.2 | 75% | 0.745 | 82% | 0.818 | S | S | * | * | | | trans | -116 | 97.8 | 156.1 | -175.7 | 0 | 0 | 0 | 0 | 106.8 | K328 V332 | K328-V330 PolarHBondContact O-N 3.29Å; K328-V330 VanDerWaalsContact O-N 3.17Å; V330-V332 VanDerWaalsContact C-N 3.28Å; V330-V332 HydrophobicContact CG1-CG2 3.93Å; V330-V332 PolarHBondContact O-N 3.37Å |
| 331 | V | 31.7 | Very low | 28.1 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 68% | 0.679 | 82% | 0.823 | S | S | * | * | | | trans | -64.5 | 89.5 | 167.8 | 179.1 | 0 | 0 | 0 | 0 | 107.8 | K333 | V331-K333 VanDerWaalsContact C-N 3.31Å; V331-K333 HydrophobicContact CG1-CG 4.09Å; V331-K333 PolarHBondContact O-N 3.42Å |
| 332 | V | 35.7 | Very low | 28.1 | Very low | 123 Ų | 123 | 148.9 Ų | 148.9 | 75% | 0.745 | 82% | 0.82 | S | S | * | * | | | trans | -78.1 | 88.7 | 166.8 | -176.7 | 0 | 0 | 0 | 0 | 107.3 | V330 G334 | V330-V332 VanDerWaalsContact C-N 3.28Å; V330-V332 HydrophobicContact CG1-CG2 3.93Å; V330-V332 PolarHBondContact O-N 3.37Å; V332-G334 PolarHBondContact O-N 3.16Å; V332-G334 VanDerWaalsContact O-N 3.11Å |
| 333 | K | 28.8 | Very low | 28 | Very low | 185 Ų | 185 | 150 Ų | 150 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | -60.7 | 111.6 | 162.2 | -81.6 | -179.9 | 179.2 | 175.9 | 0 | 107.5 | V331 G335 | V331-K333 VanDerWaalsContact C-N 3.31Å; V331-K333 HydrophobicContact CG1-CG 4.09Å; V331-K333 PolarHBondContact O-N 3.42Å; K333-G335 PolarHBondContact O-N 3.38Å |
| 334 | G | 23.1 | Very low | 28.1 | Very low | 84 Ų | 84 | 150.1 Ų | 150.1 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | | | trans | -58.3 | 103.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | V332 | V332-G334 PolarHBondContact O-N 3.16Å; V332-G334 VanDerWaalsContact O-N 3.11Å |
| 335 | G | 22.3 | Very low | 28 | Very low | 74 Ų | 74 | 153.6 Ų | 153.6 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | | | trans | -106.5 | 105.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | K333 G337 | K333-G335 PolarHBondContact O-N 3.38Å; G335-G337 PolarHBondContact O-N 3.43Å |
| 336 | C | 21.4 | Very low | 28 | Very low | 142 Ų | 142 | 154.1 Ų | 154.1 | 96% | 0.959 | 83% | 0.832 | S | S | * | * | | | trans | -67.7 | 114.2 | 169.4 | -157.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 337 | G | 27.5 | Very low | 27.8 | Very low | 72 Ų | 72 | 156.7 Ų | 156.7 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | | | trans | -137.1 | 97.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | G335 | G335-G337 PolarHBondContact O-N 3.43Š|
| 338 | A | 24 | Very low | 27.9 | Very low | 99 Ų | 99 | 156 Ų | 156 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | | | trans | -60.1 | 131.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 339 | K | 26.6 | Very low | 27.8 | Very low | 209 Ų | 209 | 156.2 Ų | 156.2 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | | | trans | -137.6 | 117.9 | 141.4 | -94.8 | -170.8 | -179.5 | -177.7 | 0 | 109.4 | | |
| 340 | E | 24.1 | Very low | 27.8 | Very low | 193 Ų | 193 | 158.3 Ų | 158.3 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | | | trans | -62.7 | 121.1 | 168.4 | -174.7 | 175.4 | -158.9 | 0 | 0 | 108.8 | | |
| 341 | E | 27.4 | Very low | 27.7 | Very low | 186 Ų | 186 | 158.8 Ų | 158.8 | 87% | 0.869 | 84% | 0.839 | S | S | * | * | | | trans | -141.6 | 120.9 | 158.4 | -108.4 | -175.2 | -178.9 | 0 | 0 | 109.1 | K343 | E341-K343 PolarHBondContact O-N 2.97Š|
| 342 | E | 24.5 | Very low | 27.5 | Very low | 177 Ų | 177 | 159 Ų | 159 | 83% | 0.827 | 85% | 0.845 | S | S | * | * | | | trans | -15.7 | 106.9 | 170.8 | -70.3 | 178.6 | 122.4 | 0 | 0 | 116.8 | K344 | E342-K344 PolarHBondContact O-N 2.86Š|
| 343 | K | 30.3 | Very low | 27 | Very low | 210 Ų | 210 | 157.2 Ų | 157.2 | 91% | 0.913 | 85% | 0.851 | S | S | * | * | | | trans | -83.7 | 101.6 | 152.4 | -83.7 | -175.6 | 176.6 | 177.2 | 0 | 109.2 | E341 | E341-K343 PolarHBondContact O-N 2.97Š|
| 344 | K | 28.8 | Very low | 26.9 | Very low | 189 Ų | 189 | 152.2 Ų | 152.2 | 82% | 0.822 | 85% | 0.852 | S | S | * | * | | | trans | -47.1 | 140.6 | 164.8 | -73.8 | 175.4 | 175.3 | 172 | 0 | 111.8 | E342 | E342-K344 PolarHBondContact O-N 2.86Š|
| 345 | E | 30 | Very low | 27.3 | Very low | 181 Ų | 181 | 158 Ų | 158 | 85% | 0.846 | 85% | 0.853 | S | S | * | * | | | trans | -53.3 | 145.9 | 178 | -68.4 | 176.4 | 144 | 0 | 0 | 113.7 | R347 | E345-R347 PolarHBondContact O-N 3.03Š|
| 346 | P | 28.9 | Very low | 27.6 | Very low | 123 Ų | 123 | 159.6 Ų | 159.6 | 80% | 0.799 | 85% | 0.853 | S | S | * | * | | | trans | -71.8 | 109.5 | 174.9 | 29.2 | -30.7 | 0 | 0 | 0 | 109.6 | E348 | P346-E348 PolarHBondContact O-N 3.3Š|
| 347 | R | 25.7 | Very low | 28.1 | Very low | 247 Ų | 247 | 159 Ų | 159 | 93% | 0.932 | 85% | 0.849 | S | S | * | * | | | trans | -63 | 110.3 | 168.3 | -113.4 | 179.6 | 175.8 | -179.6 | -1.3 | 109.3 | E345 | E345-R347 PolarHBondContact O-N 3.03Š|
| 348 | E | 31.8 | Very low | 28.2 | Very low | 164 Ų | 164 | 163.3 Ų | 163.3 | 77% | 0.766 | 86% | 0.855 | S | S | * | * | | | trans | -50.8 | 131.5 | 167.9 | -67.6 | 176.1 | 144.1 | 0 | 0 | 111.3 | P346 R350 | P346-E348 PolarHBondContact O-N 3.3Å; E348-R350 PolarHBondContact O-N 3.46Å |
| 349 | K | 32.5 | Very low | 28.6 | Very low | 207 Ų | 207 | 166.6 Ų | 166.6 | 90% | 0.9 | 86% | 0.858 | S | S | * | * | | | trans | -68.7 | 99.4 | 161.2 | -72.6 | -177.7 | 177.7 | -178.6 | 0 | 107.7 | C351 | K349-C351 PolarHBondContact O-N 3.44Š|
| 350 | R | 24.7 | Very low | 28.6 | Very low | 225 Ų | 225 | 168 Ų | 168 | 85% | 0.849 | 86% | 0.857 | S | S | * | * | | | trans | -68.3 | 110.1 | 164.8 | -69.6 | -179.4 | -176.2 | 178.6 | 0.5 | 108.4 | E348 S352 | E348-R350 PolarHBondContact O-N 3.46Å; R350-S352 PolarHBondContact O-N 3.47Å |
| 351 | C | 31.2 | Very low | 28.8 | Very low | 133 Ų | 133 | 162.5 Ų | 162.5 | 90% | 0.899 | 85% | 0.853 | S | S | * | * | | | trans | -73.6 | 110.2 | 155.6 | -75.8 | 0 | 0 | 0 | 0 | 107.4 | K349 | K349-C351 PolarHBondContact O-N 3.44Š|
| 352 | S | 28.3 | Very low | 28.8 | Very low | 117 Ų | 117 | 160.2 Ų | 160.2 | 82% | 0.818 | 85% | 0.851 | S | S | * | * | | | trans | -73.8 | 127.7 | 170.4 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | R350 | R350-S352 PolarHBondContact O-N 3.47Š|
| 353 | G | 25.1 | Very low | 29 | Very low | 85 Ų | 85 | 154.7 Ų | 154.7 | 88% | 0.876 | 84% | 0.842 | S | S | * | * | | | trans | 101 | 118.4 | 150 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 354 | G | 27.2 | Very low | 29.1 | Very low | 79 Ų | 79 | 149.6 Ų | 149.6 | 81% | 0.814 | 83% | 0.831 | S | S | * | * | | | trans | 129.4 | 110.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 355 | K | 30.3 | Very low | 29.1 | Very low | 206 Ų | 206 | 144 Ų | 144 | 90% | 0.896 | 83% | 0.826 | S | S | * | * | | | trans | -61.1 | 144.2 | 177.7 | -69.5 | 170.3 | 175.6 | 176.4 | 0 | 112.2 | | |
| 356 | S | 29.2 | Very low | 29.4 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | | | trans | 56.4 | 94.4 | 160.1 | 64.7 | 0 | 0 | 0 | 0 | 119 | | |
| 357 | C | 32.2 | Very low | 29.8 | Very low | 129 Ų | 129 | 148.5 Ų | 148.5 | 87% | 0.872 | 83% | 0.829 | S | S | * | * | | | trans | -142.8 | 93.2 | 143.6 | -79.3 | 0 | 0 | 0 | 0 | 108.5 | L359 | C357-L359 VanDerWaalsContact C-N 3.3Å; C357-L359 PolarHBondContact O-N 3.36Å |
| 358 | D | 29.3 | Very low | 30.3 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 87% | 0.872 | 82% | 0.824 | S | S | * | * | | | trans | -67.6 | 84.3 | 162 | -71.8 | -49.4 | 0 | 0 | 0 | 109.4 | | |
| 359 | L | 32.5 | Very low | 30.8 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | | | trans | -142.6 | 136.1 | 162.5 | -81.6 | -179.9 | 0 | 0 | 0 | 112.7 | C357 | C357-L359 VanDerWaalsContact C-N 3.3Å; C357-L359 PolarHBondContact O-N 3.36Å |
| 360 | R | 26.8 | Very low | 31.2 | Very low | 237 Ų | 237 | 138.6 Ų | 138.6 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | | | trans | -67.2 | 150.3 | -163.8 | -63.8 | 169.5 | -174.6 | 179 | 0 | 113.6 | V362 | R360-V362 PolarHBondContact O-N 2.84Š|
| 361 | G | 27.8 | Very low | 31.4 | Very low | 79 Ų | 79 | 133.7 Ų | 133.7 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | | | trans | -59.4 | 128 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 362 | V | 28.7 | Very low | 32.2 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | | | trans | -140.5 | 96.7 | 150.3 | -174.9 | 0 | 0 | 0 | 0 | 106.1 | R360 | R360-V362 PolarHBondContact O-N 2.84Š|
| 363 | G | 28.7 | Very low | 32.9 | Very low | 62 Ų | 62 | 134.7 Ų | 134.7 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | | | trans | -67.1 | 160.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | G365 | G363-G365 PolarHBondContact O-N 3.42Š|
| 364 | P | 30.7 | Very low | 34.3 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | | | trans | -67.6 | 115.4 | -144.6 | 28.1 | -34.8 | 0 | 0 | 0 | 112.9 | Y366 | P364-Y366 HydrophobicContact CG-CE2 4.47Å; P364-Y366 PolarHBondContact O-N 2.9Å |
| 365 | G | 30 | Very low | 35.1 | Very low | 70 Ų | 70 | 136.2 Ų | 136.2 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | | | trans | -70.1 | 109 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | G363 E367 | G363-G365 PolarHBondContact O-N 3.42Å; G365-E367 PolarHBondContact O-N 3.4Å |
| 366 | Y | 36.3 | Very low | 35.6 | Very low | 209 Ų | 209 | 133 Ų | 133 | 82% | 0.82 | 73% | 0.729 | S | S | * | * | | | trans | -67.4 | 115.2 | 169.2 | -68.1 | -88.6 | 0 | 0 | 0 | 108.4 | P364 K368 | P364-Y366 HydrophobicContact CG-CE2 4.47Å; P364-Y366 PolarHBondContact O-N 2.9Å; Y366-K368 PolarHBondContact O-N 2.9Å |
| 367 | E | 37 | Very low | 36 | Very low | 191 Ų | 191 | 134.2 Ų | 134.2 | 89% | 0.893 | 72% | 0.721 | S | S | * | * | | | trans | -54.9 | 121.2 | 173.1 | -76.5 | 179.8 | 157.8 | 0 | 0 | 109.2 | G365 S369 | G365-E367 PolarHBondContact O-N 3.4Å; E367-S369 PolarHBondContact O-N 3.05Å; E367-S369 VanDerWaalsContact O-N 3.1Å |
| 368 | K | 37.1 | Very low | 36.4 | Very low | 190 Ų | 190 | 135.4 Ų | 135.4 | 83% | 0.826 | 71% | 0.711 | S | S | * | * | | | trans | -60.2 | 113.3 | 175.6 | -70.4 | 171.6 | -179.7 | 170 | 0 | 107.8 | Y366 Y370 | Y366-K368 PolarHBondContact O-N 2.9Å; K368-Y370 WeakPolarHBondContact O-CD1 3.18Å; K368-Y370 PolarHBondContact O-N 3.31Å |
| 369 | S | 41.4 | Very low | 37.1 | Very low | 69 Ų | 69 | 129 Ų | 129 | 48% | 0.483 | 68% | 0.684 | S | S | . | * | | | trans | -67 | 126.1 | 164.2 | 50.2 | 0 | 0 | 0 | 0 | 108.4 | E367 | E367-S369 PolarHBondContact O-N 3.05Å; E367-S369 VanDerWaalsContact O-N 3.1Å |
| 370 | Y | 40 | Very low | 37.5 | Very low | 150 Ų | 150 | 124.4 Ų | 124.4 | 59% | 0.588 | 68% | 0.677 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120.3 | 146.1 | 172.4 | 53.9 | -89.3 | 0 | 0 | 0 | 109.1 | K368 D372 | K368-Y370 WeakPolarHBondContact O-CD1 3.18Å; K368-Y370 PolarHBondContact O-N 3.31Å; Y370-D372 VanDerWaalsContact CD2-OD1 3.32Å; Y370-D372 WeakPolarHBondContact CD2-OD1 3.43Å; Y370-D372 WeakPolarHBondContact CE2-OD1 3.14Å |
| 371 | L | 30.5 | Very low | 37.8 | Very low | 122 Ų | 122 | 118.1 Ų | 118.1 | 64% | 0.639 | 68% | 0.676 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.9 | 120.7 | 168.9 | -84 | 154.6 | 0 | 0 | 0 | 107 | F377 | L371-F377 HydrophobicContact CD2-CD2 4.47Å |
| 372 | D | 47.2 | Very low | 38.3 | Very low | 63 Ų | 63 | 124.7 Ų | 124.7 | 34% | 0.337 | 68% | 0.676 | S | S | . | * | | | trans | -69.6 | 156.1 | 167.6 | -71.9 | -33.7 | 0 | 0 | 0 | 109.9 | Y370 D374 G375 | Y370-D372 VanDerWaalsContact CD2-OD1 3.32Å; Y370-D372 WeakPolarHBondContact CD2-OD1 3.43Å; Y370-D372 WeakPolarHBondContact CE2-OD1 3.14Å; D372-D374 PolarHBondContact O-N 3.36Å; D372-G375 PolarHBondContact O-N 3.25Å |
| 373 | Y | 43.9 | Very low | 38.8 | Very low | 209 Ų | 209 | 128 Ų | 128 | 82% | 0.82 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -22.1 | -175.6 | -72.6 | -81.8 | 0 | 0 | 0 | 113.7 | K308 G375 | K308-Y373 PolarHBondContact NZ-OH 3.4Å; Y373-G375 PolarHBondContact O-N 3.19Å |
| 374 | D | 54.4 | Low | 39 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 76% | 0.759 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 9.5 | 176.1 | -57.5 | -38.2 | 0 | 0 | 0 | 113.4 | D372 H376 | D372-D374 PolarHBondContact O-N 3.36Å; D374-H376 VanDerWaalsContact C-N 3.31Å; D374-H376 PolarHBondContact O-N 3.35Å; D374-H376 PolarHBondContact O-ND1 3.45Å |
| 375 | G | 43.8 | Very low | 39.1 | Very low | 54 Ų | 54 | 136.6 Ų | 136.6 | 56% | 0.557 | 70% | 0.696 | S | S | * | * | | | trans | 75.3 | 12.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | D372 Y373 | D372-G375 PolarHBondContact O-N 3.25Å; Y373-G375 PolarHBondContact O-N 3.19Å |
| 376 | H | 39.5 | Very low | 39.1 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 64% | 0.639 | 69% | 0.688 | S | S | * | * | | | trans | -91.3 | 122.6 | 179 | -71 | 48.8 | 0 | 0 | 0 | 110.8 | D374 K378 | D374-H376 VanDerWaalsContact C-N 3.31Å; D374-H376 PolarHBondContact O-N 3.35Å; D374-H376 PolarHBondContact O-ND1 3.45Å; H376-K378 PolarHBondContact O-N 3.26Å |
| 377 | F | 37.9 | Very low | 38.9 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 59% | 0.588 | 69% | 0.689 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.1 | 110.9 | -178.9 | -175.3 | -97.6 | 0 | 0 | 0 | 110.6 | L371 G379 | L371-F377 HydrophobicContact CD2-CD2 4.47Å; F377-G379 WeakPolarHBondContact CE1-O 3.02Å; F377-G379 WeakPolarHBondContact CZ-O 3.32Å |
| 378 | K | 40.3 | Very low | 38.4 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 67% | 0.665 | 68% | 0.684 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -116.8 | 102.4 | 169.5 | -73.7 | -177.3 | 177.4 | 174.2 | 0 | 109.2 | H376 | H376-K378 PolarHBondContact O-N 3.26Å |
| 379 | G | 43.8 | Very low | 37.9 | Very low | 30 Ų | 30 | 135.2 Ų | 135.2 | 31% | 0.309 | 68% | 0.684 | S | S | . | * | S | Bend | trans | 162.5 | 111.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | F377 | F377-G379 WeakPolarHBondContact CE1-O 3.02Å; F377-G379 WeakPolarHBondContact CZ-O 3.32Å |
| 380 | G | 41.7 | Very low | 37.5 | Very low | 71 Ų | 71 | 141.4 Ų | 141.4 | 73% | 0.732 | 70% | 0.703 | S | S | * | * | | | trans | 68.2 | 95.6 | 153 | 0 | 0 | 0 | 0 | 0 | 117.8 | R382 | G380-R382 PolarHBondContact O-N 3.1Å; G380-R382 VanDerWaalsContact O-N 3.14Å |
| 381 | A | 33.4 | Very low | 36.9 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | | | trans | -50.7 | 112.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K383 | A381-K383 PolarHBondContact O-N 3.4Š|
| 382 | R | 38.8 | Very low | 36.8 | Very low | 218 Ų | 218 | 143.7 Ų | 143.7 | 82% | 0.823 | 73% | 0.725 | S | S | * | * | | | trans | -70.8 | 111.8 | 167.9 | -73.3 | 179.9 | 172.3 | -173.6 | -2.1 | 108.8 | G380 F384 | G380-R382 PolarHBondContact O-N 3.1Å; G380-R382 VanDerWaalsContact O-N 3.14Å; R382-F384 PolarHBondContact O-N 3.22Å |
| 383 | K | 38.3 | Very low | 36 | Very low | 206 Ų | 206 | 146 Ų | 146 | 90% | 0.896 | 75% | 0.746 | S | S | * | * | | | trans | -71.4 | 106.2 | 163.4 | -68.8 | -175.3 | 179.4 | -177.6 | 0 | 107.8 | A381 L385 | A381-K383 PolarHBondContact O-N 3.4Å; K383-L385 PolarHBondContact O-N 3.14Å |
| 384 | F | 32.8 | Very low | 35.5 | Very low | 186 Ų | 186 | 144.4 Ų | 144.4 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 122.4 | 168.4 | -72.3 | -93 | 0 | 0 | 0 | 108.3 | R382 | R382-F384 PolarHBondContact O-N 3.22Š|
| 385 | L | 32.5 | Very low | 34.3 | Very low | 160 Ų | 160 | 147 Ų | 147 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 129.3 | 166.1 | -78.3 | 165.3 | 0 | 0 | 0 | 107.7 | K383 I387 | K383-L385 PolarHBondContact O-N 3.14Å; L385-I387 PolarHBondContact O-N 3.28Å |
| 386 | P | 30.3 | Very low | 33.7 | Very low | 87 Ų | 87 | 153.4 Ų | 153.4 | 57% | 0.565 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -63 | 132.7 | -178.1 | 22.1 | -30.1 | 0 | 0 | 0 | 111.3 | Y388 | P386-Y388 HydrophobicContact CB-CE2 4.44Å; P386-Y388 HydrophobicContact CG-CE2 3.99Å; P386-Y388 PolarHBondContact O-N 3.23Å |
| 387 | I | 32.7 | Very low | 33.2 | Very low | 164 Ų | 164 | 155.7 Ų | 155.7 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | | | trans | -77 | 108.3 | 174.6 | -58.8 | 170 | 0 | 0 | 0 | 106.8 | L385 Q389 | L385-I387 PolarHBondContact O-N 3.28Å; I387-Q389 PolarHBondContact O-N 3.43Å |
| 388 | Y | 26.7 | Very low | 33 | Very low | 200 Ų | 200 | 154.9 Ų | 154.9 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | | | trans | -84.2 | 108.6 | 170.3 | -69.2 | -84.1 | 0 | 0 | 0 | 108.9 | P386 K390 | P386-Y388 HydrophobicContact CB-CE2 4.44Å; P386-Y388 HydrophobicContact CG-CE2 3.99Å; P386-Y388 PolarHBondContact O-N 3.23Å; Y388-K390 PolarHBondContact O-N 3.36Å |
| 389 | Q | 25.1 | Very low | 32.7 | Very low | 179 Ų | 179 | 152.2 Ų | 152.2 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | | | trans | -70.5 | 118.3 | 160.6 | -79.5 | 177 | -26.1 | 0 | 0 | 107.5 | I387 | I387-Q389 PolarHBondContact O-N 3.43Š|
| 390 | K | 33.6 | Very low | 32.4 | Very low | 199 Ų | 199 | 156.9 Ų | 156.9 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | | | trans | -104.9 | 103.2 | 175.4 | -167.2 | 177.2 | -177.9 | -177.7 | 0 | 107.8 | Y388 | Y388-K390 PolarHBondContact O-N 3.36Š|
| 391 | E | 28.1 | Very low | 31.9 | Very low | 175 Ų | 175 | 162.2 Ų | 162.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -71.5 | 141.3 | 172.3 | -67.8 | -177.7 | 161.1 | 0 | 0 | 110.2 | | |
| 392 | V | 28 | Very low | 31.5 | Very low | 146 Ų | 146 | 161 Ų | 161 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | | | trans | -87.6 | 121.5 | -174.5 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 393 | S | 29.5 | Very low | 31 | Very low | 110 Ų | 110 | 154.1 Ų | 154.1 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | trans | -119.6 | 118.9 | 161.7 | 51.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 394 | E | 34.4 | Very low | 30.4 | Very low | 176 Ų | 176 | 151.2 Ų | 151.2 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | trans | 34.1 | 107.3 | 149.8 | -63.3 | 175.2 | 176.5 | 0 | 0 | 118.9 | K396 | E394-K396 PolarHBondContact O-N 3.26Š|
| 395 | E | 28.6 | Very low | 30.3 | Very low | 198 Ų | 198 | 146.1 Ų | 146.1 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | | | trans | 21.6 | 86.1 | 142.9 | -59 | -174.3 | 173.5 | 0 | 0 | 117.4 | | |
| 396 | K | 32.3 | Very low | 30.1 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | | | trans | -130.8 | 124.9 | 147.3 | -74.1 | -174.8 | -179.6 | 171.9 | 0 | 109.2 | E394 V398 | E394-K396 PolarHBondContact O-N 3.26Å; K396-V398 VanDerWaalsContact C-N 3.34Å; K396-V398 PolarHBondContact O-N 3.18Å |
| 397 | E | 27.8 | Very low | 30.1 | Very low | 187 Ų | 187 | 148.7 Ų | 148.7 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | | | trans | -56.3 | 92.8 | 171.5 | -161.6 | 178.4 | -153 | 0 | 0 | 108.9 | V399 | E397-V399 VanDerWaalsContact C-N 3.3Å; E397-V399 HydrophobicContact CG-CG2 4.39Å; E397-V399 PolarHBondContact O-N 3.07Å |
| 398 | V | 33.8 | Very low | 30.1 | Very low | 117 Ų | 117 | 149.8 Ų | 149.8 | 71% | 0.709 | 82% | 0.819 | S | S | * | * | | | trans | -80.9 | 87.7 | 174 | -173.5 | 0 | 0 | 0 | 0 | 107.5 | K396 V400 | K396-V398 VanDerWaalsContact C-N 3.34Å; K396-V398 PolarHBondContact O-N 3.18Å; V398-V400 VanDerWaalsContact C-N 3.29Å; V398-V400 HydrophobicContact CG1-CG2 3.69Å; V398-V400 PolarHBondContact O-N 3.06Å |
| 399 | V | 35.2 | Very low | 30.2 | Very low | 97 Ų | 97 | 149 Ų | 149 | 59% | 0.588 | 82% | 0.823 | S | S | * | * | | | trans | -66.1 | 94.9 | 159.2 | -176.6 | 0 | 0 | 0 | 0 | 106.9 | E397 K401 | E397-V399 VanDerWaalsContact C-N 3.3Å; E397-V399 HydrophobicContact CG-CG2 4.39Å; E397-V399 PolarHBondContact O-N 3.07Å; V399-K401 HydrophobicContact CG1-CG 4.01Å; V399-K401 PolarHBondContact O-N 3.27Å |
| 400 | V | 36 | Very low | 30.7 | Very low | 127 Ų | 127 | 149.4 Ų | 149.4 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | | | trans | -70.4 | 82.4 | 170 | -176.1 | 0 | 0 | 0 | 0 | 108 | V398 G402 | V398-V400 VanDerWaalsContact C-N 3.29Å; V398-V400 HydrophobicContact CG1-CG2 3.69Å; V398-V400 PolarHBondContact O-N 3.06Å; V400-G402 PolarHBondContact O-N 3.23Å |
| 401 | K | 33 | Very low | 30.7 | Very low | 183 Ų | 183 | 149.2 Ų | 149.2 | 80% | 0.796 | 82% | 0.824 | S | S | * | * | | | trans | -75.8 | 108.3 | 159.5 | -82.3 | 179.7 | -177.9 | 177.8 | 0 | 107.1 | V399 G403 | V399-K401 HydrophobicContact CG1-CG 4.01Å; V399-K401 PolarHBondContact O-N 3.27Å; K401-G403 PolarHBondContact O-N 3.02Å |
| 402 | G | 25 | Very low | 30.9 | Very low | 80 Ų | 80 | 150.6 Ų | 150.6 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | -54.7 | 123 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | V400 | V400-G402 PolarHBondContact O-N 3.23Š|
| 403 | G | 27.6 | Very low | 31.3 | Very low | 73 Ų | 73 | 152.4 Ų | 152.4 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | | | trans | -156 | 96.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | K401 | K401-G403 PolarHBondContact O-N 3.02Š|
| 404 | C | 25.8 | Very low | 31.1 | Very low | 144 Ų | 144 | 153 Ų | 153 | 97% | 0.973 | 83% | 0.828 | S | S | * | * | | | trans | -56.8 | 136.6 | 164 | -82.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 405 | G | 29.6 | Very low | 30.8 | Very low | 80 Ų | 80 | 156 Ų | 156 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | | | trans | 137.8 | 69.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 406 | A | 29.5 | Very low | 31.3 | Very low | 101 Ų | 101 | 159.5 Ų | 159.5 | 84% | 0.835 | 85% | 0.847 | S | S | * | * | | | trans | -114.9 | 92.3 | 155.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 407 | K | 29.7 | Very low | 31.2 | Very low | 200 Ų | 200 | 158.1 Ų | 158.1 | 87% | 0.87 | 85% | 0.849 | S | S | * | * | | | trans | -73.2 | 115.4 | 158.1 | -79.9 | 179.9 | 173.9 | 178.1 | 0 | 105.7 | E409 | K407-E409 PolarHBondContact O-N 3.34Š|
| 408 | E | 33.1 | Very low | 31.4 | Very low | 187 Ų | 187 | 156.6 Ų | 156.6 | 87% | 0.874 | 85% | 0.848 | S | S | * | * | | | trans | -64.8 | 111.4 | 161.5 | -88.3 | 175.1 | 137.9 | 0 | 0 | 108 | E410 | E408-E410 PolarHBondContact O-N 3.18Š|
| 409 | E | 28.6 | Very low | 31.3 | Very low | 182 Ų | 182 | 158.8 Ų | 158.8 | 85% | 0.85 | 86% | 0.856 | S | S | * | * | | | trans | -78.3 | 94.3 | 160.8 | -76.6 | -172.4 | 153.6 | 0 | 0 | 107.9 | K407 K411 | K407-E409 PolarHBondContact O-N 3.34Å; E409-K411 PolarHBondContact O-N 3.31Å |
| 410 | E | 36.4 | Very low | 31.1 | Very low | 188 Ų | 188 | 162.4 Ų | 162.4 | 88% | 0.879 | 87% | 0.871 | S | S | * | * | | | trans | -70.2 | 108.3 | 160.7 | -91 | -173 | 150.3 | 0 | 0 | 108.7 | E408 K412 | E408-E410 PolarHBondContact O-N 3.18Å; E410-K412 PolarHBondContact O-N 3.43Å |
| 411 | K | 32.7 | Very low | 30.8 | Very low | 195 Ų | 195 | 164.6 Ų | 164.6 | 85% | 0.848 | 88% | 0.878 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 123.4 | 170.2 | -75.8 | 175.3 | 175.1 | 175.5 | 0 | 109.7 | E409 E413 | E409-K411 PolarHBondContact O-N 3.31Å; K411-E413 PolarHBondContact O-N 3.38Å |
| 412 | K | 32.3 | Very low | 30.6 | Very low | 204 Ų | 204 | 163.4 Ų | 163.4 | 89% | 0.887 | 88% | 0.883 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 123.6 | 162 | -68.3 | 176 | 175.6 | 177.4 | 0 | 109.4 | E410 | E410-K412 PolarHBondContact O-N 3.43Š|
| 413 | E | 36.3 | Very low | 31 | Very low | 184 Ų | 184 | 169.4 Ų | 169.4 | 86% | 0.86 | 89% | 0.887 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 145.1 | 154.5 | -79.7 | -172.1 | 161.5 | 0 | 0 | 110 | K411 | K411-E413 PolarHBondContact O-N 3.38Š|
| 414 | P | 26.2 | Very low | 31.3 | Very low | 124 Ų | 124 | 176.8 Ų | 176.8 | 81% | 0.805 | 90% | 0.898 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 166.2 | -163.9 | 36.1 | -35.4 | 0 | 0 | 0 | 114.2 | | |
| 415 | R | 26.7 | Very low | 31.7 | Very low | 238 Ų | 238 | 179.5 Ų | 179.5 | 90% | 0.898 | 89% | 0.891 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 149.9 | 177.6 | -62.9 | 170.1 | 168.3 | 177.8 | -6.3 | 115.4 | | |
| 416 | E | 39.7 | Very low | 31.9 | Very low | 271 Ų | 271 | 188.5 Ų | 188.5 | 100% | 1.266 | 90% | 0.897 | S | S | * | * | | | | -134.3 | 0 | 108.1 | -92.1 | -172.8 | 163.3 | 0 | 0 | 110.4 | | |