| 1 | S | 53.3 | Low | 67.9 | Low | 171 Ų | 171 | 112.4 Ų | 112.4 | 100% | 1.196 | 67% | 0.668 | S | S | * | * | | | | 0 | 107.1 | 0 | -163.4 | 0 | 0 | 0 | 0 | 107.8 | H3 | S1-H3 PolarHBondContact O-N 2.91Š|
| 2 | S | 67.6 | Low | 68.3 | Low | 129 Ų | 129 | 114.7 Ų | 114.7 | 90% | 0.902 | 67% | 0.666 | S | S | * | * | | | trans | -93.7 | 91.5 | -177.4 | -169.5 | 0 | 0 | 0 | 0 | 108.5 | S4 | S2-S4 PolarHBondContact O-N 3.43Š|
| 3 | H | 66.9 | Low | 68.4 | Low | 171 Ų | 171 | 121.2 Ų | 121.2 | 79% | 0.792 | 69% | 0.687 | S | S | * | * | | | trans | -90.3 | 92.6 | 178.5 | -149.1 | -36.2 | 0 | 0 | 0 | 108.4 | S1 | S1-H3 PolarHBondContact O-N 2.91Š|
| 4 | S | 70.4 | Confident | 68.7 | Low | 94 Ų | 94 | 118.9 Ų | 118.9 | 66% | 0.657 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 127.2 | 165.2 | -175.2 | 0 | 0 | 0 | 0 | 107.6 | S2 H6 | S2-S4 PolarHBondContact O-N 3.43Å; S4-H6 PolarHBondContact O-N 3Å |
| 5 | P | 74.4 | Confident | 69.3 | Low | 82 Ų | 82 | 118.1 Ų | 118.1 | 53% | 0.532 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 128.9 | 176.9 | 24.3 | -30.8 | 0 | 0 | 0 | 108.4 | | |
| 6 | H | 71.3 | Confident | 69.3 | Low | 103 Ų | 103 | 115.8 Ų | 115.8 | 48% | 0.477 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -52.6 | 133.1 | 177.7 | -172.2 | -84.3 | 0 | 0 | 0 | 108.2 | S4 L8 F9 A10 | S4-H6 PolarHBondContact O-N 3Å; H6-L8 WeakPolarHBondContact CE1-CD1 3.23Å; H6-L8 VanDerWaalsContact CE1-CG 3.43Å; H6-L8 WeakPolarHBondContact CE1-CG 3.38Å; H6-L8 WeakPolarHBondContact ND1-CB 3.49Å; H6-L8 WeakPolarHBondContact ND1-CG 3.46Å; H6-L8 PolarHBondContact ND1-N 3.48Å; H6-L8 PolarHBondContact O-N 3.26Å; H6-F9 HydrophobicContact CB-CD2 4.1Å; H6-F9 PolarHBondContact O-N 3.39Å; H6-A10 PolarHBondContact O-N 3.3Å |
| 7 | P | 70.3 | Confident | 69.2 | Low | 76 Ų | 76 | 112.7 Ų | 112.7 | 49% | 0.494 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -55.1 | -28.5 | -168.7 | 18.1 | -32.2 | 0 | 0 | 0 | 113.1 | F9 A10 R14 | P7-F9 VanDerWaalsContact C-N 3.29Å; P7-F9 PolarHBondContact O-N 2.81Å; P7-A10 PolarHBondContact O-N 3.19Å; P7-R14 VanDerWaalsContact O-CZ 3.31Å; P7-R14 PolarHBondContact O-NH2 3.41Å |
| 8 | L | 70.3 | Confident | 69.3 | Low | 84 Ų | 84 | 112.5 Ų | 112.5 | 44% | 0.44 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -61.4 | -30.2 | 174.4 | -61 | 176.3 | 0 | 0 | 0 | 114.4 | H6 F19 | H6-L8 WeakPolarHBondContact CE1-CD1 3.23Å; H6-L8 VanDerWaalsContact CE1-CG 3.43Å; H6-L8 WeakPolarHBondContact CE1-CG 3.38Å; H6-L8 WeakPolarHBondContact ND1-CB 3.49Å; H6-L8 WeakPolarHBondContact ND1-CG 3.46Å; H6-L8 PolarHBondContact ND1-N 3.48Å; H6-L8 PolarHBondContact O-N 3.26Å; L8-F19 WeakPolarHBondContact O-CZ 3.22Å; L8-F19 HydrophobicContact CD2-CE2 3.79Å; L8-F19 HydrophobicContact CB-CZ 4.4Å; L8-F19 HydrophobicContact CB-CE2 4.33Å |
| 9 | F | 70.1 | Confident | 69.4 | Low | 174 Ų | 174 | 110.1 Ų | 110.1 | 76% | 0.763 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -107.2 | 0.9 | 179.9 | -56.3 | -68.1 | 0 | 0 | 0 | 112.6 | H6 P7 | H6-F9 HydrophobicContact CB-CD2 4.1Å; H6-F9 PolarHBondContact O-N 3.39Å; P7-F9 VanDerWaalsContact C-N 3.29Å; P7-F9 PolarHBondContact O-N 2.81Å |
| 10 | A | 69.3 | Low | 70 | Confident | 22 Ų | 22 | 109.9 Ų | 109.9 | 18% | 0.182 | 61% | 0.609 | C | S | . | * | S | Bend | trans | -64.6 | 138.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | H6 P7 Q12 | H6-A10 PolarHBondContact O-N 3.3Å; P7-A10 PolarHBondContact O-N 3.19Å; A10-Q12 PolarHBondContact O-N 3.42Å |
| 11 | S | 63.4 | Low | 70 | Confident | 130 Ų | 130 | 108.6 Ų | 108.6 | 91% | 0.909 | 61% | 0.606 | S | S | * | * | | | trans | -64.9 | 12.7 | 179.2 | 54.8 | 0 | 0 | 0 | 0 | 114.6 | Q13 | S11-Q13 PolarHBondContact O-N 3.11Å; S11-Q13 VanDerWaalsContact O-N 3.16Å |
| 12 | Q | 72.9 | Confident | 71 | Confident | 140 Ų | 140 | 109.5 Ų | 109.5 | 65% | 0.654 | 58% | 0.583 | S | S | * | * | | | trans | -59.9 | 121.4 | 171.5 | -77 | 177.9 | 6.3 | 0 | 0 | 108.4 | A10 R14 | A10-Q12 PolarHBondContact O-N 3.42Å; Q12-R14 WeakPolarHBondContact O-CG 3.17Å; Q12-R14 PolarHBondContact O-N 3.29Å |
| 13 | Q | 69.3 | Low | 71.2 | Confident | 199 Ų | 199 | 105.6 Ų | 105.6 | 93% | 0.93 | 55% | 0.552 | S | S | * | * | | | trans | -57 | 97.4 | 174.8 | -175.2 | 179.7 | -54.6 | 0 | 0 | 108.8 | S11 | S11-Q13 PolarHBondContact O-N 3.11Å; S11-Q13 VanDerWaalsContact O-N 3.16Å |
| 14 | R | 72.1 | Confident | 71.5 | Confident | 90 Ų | 90 | 100.7 Ų | 100.7 | 34% | 0.34 | 53% | 0.531 | S | S | . | . | | | trans | -91.8 | 139.1 | 176.4 | -71.5 | 171.9 | -179.8 | -129.9 | -11.4 | 108.7 | P7 Q12 P16 F19 | P7-R14 VanDerWaalsContact O-CZ 3.31Å; P7-R14 PolarHBondContact O-NH2 3.41Å; Q12-R14 WeakPolarHBondContact O-CG 3.17Å; Q12-R14 PolarHBondContact O-N 3.29Å; R14-P16 WeakPolarHBondContact O-CD 3.36Å; R14-F19 HydrophobicContact CB-CB 4.33Å |
| 15 | D | 78.2 | Confident | 71.5 | Confident | 107 Ų | 107 | 100.8 Ų | 100.8 | 57% | 0.572 | 52% | 0.521 | S | S | * | . | | | trans | -59.1 | 122.2 | 169.6 | -65 | -54.5 | 0 | 0 | 0 | 108.7 | S17 T18 F19 | D15-S17 PolarHBondContact O-N 3.34Å; D15-S17 VanDerWaalsContact O-N 3.12Å; D15-T18 WeakPolarHBondContact O-CB 3.13Å; D15-T18 PolarHBondContact O-N 3.12Å; D15-F19 PolarHBondContact O-N 3.43Å |
| 16 | P | 69.1 | Low | 71.2 | Confident | 81 Ų | 81 | 105.4 Ų | 105.4 | 53% | 0.526 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.1 | -23 | -174 | 20.4 | -29.9 | 0 | 0 | 0 | 112.3 | R14 Y20 | R14-P16 WeakPolarHBondContact O-CD 3.36Å; P16-Y20 WeakPolarHBondContact O-CB 3.14Å; P16-Y20 WeakPolarHBondContact O-CD2 3.22Å; P16-Y20 PolarHBondContact O-N 3.26Å |
| 17 | S | 68.4 | Low | 70.9 | Confident | 63 Ų | 63 | 107.9 Ų | 107.9 | 44% | 0.441 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.4 | -38.5 | 170.1 | 49.2 | 0 | 0 | 0 | 0 | 112.6 | D15 I24 | D15-S17 PolarHBondContact O-N 3.34Å; D15-S17 VanDerWaalsContact O-N 3.12Å; S17-I24 WeakPolarHBondContact O-CD1 3.39Å; S17-I24 WeakPolarHBondContact O-CG1 3.49Å |
| 18 | T | 70.4 | Confident | 70.8 | Confident | 109 Ų | 109 | 111.1 Ų | 111.1 | 67% | 0.669 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -75.4 | -33.9 | -176.9 | -56.6 | 0 | 0 | 0 | 0 | 112.4 | D15 | D15-T18 WeakPolarHBondContact O-CB 3.13Å; D15-T18 PolarHBondContact O-N 3.12Å |
| 19 | F | 70.1 | Confident | 70.4 | Confident | 66 Ų | 66 | 112.6 Ų | 112.6 | 29% | 0.289 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -84.7 | -23 | -176.5 | -168 | -114 | 0 | 0 | 0 | 113.8 | L8 R14 D15 P21 | L8-F19 WeakPolarHBondContact O-CZ 3.22Å; L8-F19 HydrophobicContact CD2-CE2 3.79Å; L8-F19 HydrophobicContact CB-CZ 4.4Å; L8-F19 HydrophobicContact CB-CE2 4.33Å; R14-F19 HydrophobicContact CB-CB 4.33Å; D15-F19 PolarHBondContact O-N 3.43Å; F19-P21 WeakPolarHBondContact O-CD 3.36Å |
| 20 | Y | 81.8 | Confident | 70.2 | Confident | 106 Ų | 106 | 111.7 Ų | 111.7 | 42% | 0.416 | 54% | 0.539 | S | S | . | . | | | trans | -115.6 | 84.2 | -175.1 | -70.4 | -59.1 | 0 | 0 | 0 | 110.3 | P16 W22 L23 | P16-Y20 WeakPolarHBondContact O-CB 3.14Å; P16-Y20 WeakPolarHBondContact O-CD2 3.22Å; P16-Y20 PolarHBondContact O-N 3.26Å; Y20-W22 PolarHBondContact O-N 2.89Å; Y20-W22 VanDerWaalsContact O-N 3.12Å; Y20-W22 AromaticContact CD1-NE1 3.37Å; Y20-W22 AromaticContact CG-NE1 3.65Å; Y20-W22 HydrophobicContact CD1-CZ2 4.34Å; Y20-L23 WeakPolarHBondContact O-CB 3.49Å; Y20-L23 PolarHBondContact O-N 3.19Å |
| 21 | P | 70.4 | Confident | 70.1 | Confident | 83 Ų | 83 | 114.3 Ų | 114.3 | 54% | 0.539 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -55.6 | -37 | -175.9 | 19.7 | -31.7 | 0 | 0 | 0 | 112.5 | F19 L23 I24 H25 | F19-P21 WeakPolarHBondContact O-CD 3.36Å; P21-L23 PolarHBondContact O-N 2.88Å; P21-I24 PolarHBondContact O-N 3.44Å; P21-H25 PolarHBondContact O-CD2 2.92Å; P21-H25 PolarHBondContact O-N 3.26Å |
| 22 | W | 73.8 | Confident | 70.3 | Confident | 190 Ų | 190 | 115.6 Ų | 115.6 | 72% | 0.72 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.5 | -23.5 | 175.5 | 60.8 | -2.4 | 0 | 0 | 0 | 115.1 | Y20 R26 | Y20-W22 PolarHBondContact O-N 2.89Å; Y20-W22 VanDerWaalsContact O-N 3.12Å; Y20-W22 AromaticContact CD1-NE1 3.37Å; Y20-W22 AromaticContact CG-NE1 3.65Å; Y20-W22 HydrophobicContact CD1-CZ2 4.34Å; W22-R26 PolarHBondContact O-N 3.2Å |
| 23 | L | 72.5 | Confident | 70 | Confident | 47 Ų | 47 | 118.7 Ų | 118.7 | 25% | 0.246 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -79.2 | -38.4 | -178.1 | -167.8 | 67.5 | 0 | 0 | 0 | 109.6 | Y20 P21 H25 R26 Y27 | Y20-L23 WeakPolarHBondContact O-CB 3.49Å; Y20-L23 PolarHBondContact O-N 3.19Å; P21-L23 PolarHBondContact O-N 2.88Å; L23-H25 VanDerWaalsContact C-N 3.31Å; L23-H25 PolarHBondContact O-N 2.68Å; L23-R26 PolarHBondContact O-N 3.45Å; L23-Y27 HydrophobicContact CD1-CD2 4.4Å; L23-Y27 WeakPolarHBondContact O-CD2 3.4Å; L23-Y27 HydrophobicContact CG-CE2 3.75Å; L23-Y27 HydrophobicContact CG-CD2 4.29Å; L23-Y27 VanDerWaalsContact CD1-CE2 3.49Å; L23-Y27 HydrophobicContact CD1-CE2 3.49Å |
| 24 | I | 72.9 | Confident | 69.7 | Low | 69 Ų | 69 | 118.3 Ų | 118.3 | 35% | 0.354 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.2 | -43.8 | 174 | -53.3 | 175.3 | 0 | 0 | 0 | 110.2 | S17 P21 R26 R28 | S17-I24 WeakPolarHBondContact O-CD1 3.39Å; S17-I24 WeakPolarHBondContact O-CG1 3.49Å; P21-I24 PolarHBondContact O-N 3.44Å; I24-R26 VanDerWaalsContact C-N 3.3Å; I24-R26 PolarHBondContact O-N 3.12Å; I24-R28 WeakPolarHBondContact O-CB 3.35Å; I24-R28 PolarHBondContact O-N 3.46Å |
| 25 | H | 70.3 | Confident | 69.6 | Low | 96 Ų | 96 | 121.5 Ų | 121.5 | 44% | 0.444 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.5 | -26.5 | -178.6 | -69.9 | -76 | 0 | 0 | 0 | 113.1 | P21 L23 Y29 | P21-H25 PolarHBondContact O-CD2 2.92Å; P21-H25 PolarHBondContact O-N 3.26Å; L23-H25 VanDerWaalsContact C-N 3.31Å; L23-H25 PolarHBondContact O-N 2.68Å; H25-Y29 VanDerWaalsContact O-CD2 3.23Å; H25-Y29 WeakPolarHBondContact O-CD2 3.43Å |
| 26 | R | 68.6 | Low | 68.8 | Low | 179 Ų | 179 | 119.3 Ų | 119.3 | 68% | 0.675 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.1 | -43.4 | 178.5 | -175.2 | 177.7 | -67.2 | -169.7 | -1.2 | 112.7 | W22 L23 I24 | W22-R26 PolarHBondContact O-N 3.2Å; L23-R26 PolarHBondContact O-N 3.45Å; I24-R26 VanDerWaalsContact C-N 3.3Å; I24-R26 PolarHBondContact O-N 3.12Å |
| 27 | Y | 65.3 | Low | 68.2 | Low | 155 Ų | 155 | 123 Ų | 123 | 61% | 0.608 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -88.9 | -16 | -175 | -59.5 | -68.1 | 0 | 0 | 0 | 113.7 | L23 Y29 | L23-Y27 HydrophobicContact CD1-CD2 4.4Å; L23-Y27 WeakPolarHBondContact O-CD2 3.4Å; L23-Y27 HydrophobicContact CG-CE2 3.75Å; L23-Y27 HydrophobicContact CG-CD2 4.29Å; L23-Y27 VanDerWaalsContact CD1-CE2 3.49Å; L23-Y27 HydrophobicContact CD1-CE2 3.49Å; Y27-Y29 VanDerWaalsContact C-N 3.34Å; Y27-Y29 PolarHBondContact O-N 3.36Å |
| 28 | R | 67.3 | Low | 67.3 | Low | 143 Ų | 143 | 124.6 Ų | 124.6 | 54% | 0.54 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -70.6 | -26.1 | -175.6 | -165.1 | 116.9 | 64.1 | 105.3 | -0.3 | 114.1 | I24 | I24-R28 WeakPolarHBondContact O-CB 3.35Å; I24-R28 PolarHBondContact O-N 3.46Å |
| 29 | Y | 62.3 | Low | 66.4 | Low | 116 Ų | 116 | 127.6 Ų | 127.6 | 46% | 0.455 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -108.3 | -2 | -172 | -58.1 | -69.7 | 0 | 0 | 0 | 114.7 | H25 Y27 G31 H32 | H25-Y29 VanDerWaalsContact O-CD2 3.23Å; H25-Y29 WeakPolarHBondContact O-CD2 3.43Å; Y27-Y29 VanDerWaalsContact C-N 3.34Å; Y27-Y29 PolarHBondContact O-N 3.36Å; Y29-G31 VanDerWaalsContact C-N 3.27Å; Y29-G31 PolarHBondContact O-N 3.4Å; Y29-H32 PolarHBondContact O-N 2.82Å |
| 30 | L | 66.4 | Low | 65.6 | Low | 154 Ų | 154 | 131 Ų | 131 | 81% | 0.806 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -23 | -175.7 | -169 | 62.5 | 0 | 0 | 0 | 113.4 | | |
| 31 | G | 66.3 | Low | 63.9 | Low | 77 Ų | 77 | 130.5 Ų | 130.5 | 79% | 0.794 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -2.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y29 | Y29-G31 VanDerWaalsContact C-N 3.27Å; Y29-G31 PolarHBondContact O-N 3.4Å |
| 32 | H | 67.6 | Low | 62.9 | Low | 158 Ų | 158 | 134.4 Ų | 134.4 | 73% | 0.731 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -102.1 | -5.3 | -162.3 | -138.9 | -61.5 | 0 | 0 | 0 | 115.4 | Y29 | Y29-H32 PolarHBondContact O-N 2.82Š|
| 33 | R | 66.4 | Low | 61.5 | Low | 204 Ų | 204 | 130.8 Ų | 130.8 | 77% | 0.77 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -121.7 | 11.9 | -168.6 | -60.5 | -168 | -173.6 | -172.9 | 2.7 | 116.1 | | |
| 34 | F | 63.3 | Low | 60.5 | Low | 192 Ų | 192 | 136.6 Ų | 136.6 | 84% | 0.842 | 69% | 0.685 | S | S | * | * | | | trans | -142.5 | 73.3 | 174.6 | -151 | -101.5 | 0 | 0 | 0 | 112.9 | | |
| 35 | Q | 69.7 | Low | 59.5 | Low | 157 Ų | 157 | 139.8 Ų | 139.8 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | | | trans | -105.1 | 68.3 | 154.1 | -70.6 | -174.1 | 2.6 | 0 | 0 | 107.8 | K37 | Q35-K37 WeakPolarHBondContact O-CG 3.39Å; Q35-K37 PolarHBondContact O-N 2.85Å |
| 36 | G | 61.3 | Low | 58.7 | Low | 61 Ų | 61 | 143.7 Ų | 143.7 | 63% | 0.629 | 72% | 0.721 | S | S | * | * | | | trans | -69.3 | 63 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S38 | G36-S38 VanDerWaalsContact C-N 3.29Å; G36-S38 PolarHBondContact O-N 3.29Å |
| 37 | K | 57.4 | Low | 58 | Low | 158 Ų | 158 | 141.9 Ų | 141.9 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | | | trans | -78.2 | 89.9 | 159.3 | 30.2 | 167.1 | 170.9 | -176.8 | 0 | 106 | Q35 M39 | Q35-K37 WeakPolarHBondContact O-CG 3.39Å; Q35-K37 PolarHBondContact O-N 2.85Å; K37-M39 PolarHBondContact O-N 3.2Å; K37-M39 VanDerWaalsContact C-N 3.26Å |
| 38 | S | 48.5 | Very low | 57.2 | Low | 96 Ų | 96 | 143.9 Ų | 143.9 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | | | trans | -53.1 | 98.5 | 156.5 | -175.5 | 0 | 0 | 0 | 0 | 106.9 | G36 V40 | G36-S38 VanDerWaalsContact C-N 3.29Å; G36-S38 PolarHBondContact O-N 3.29Å; S38-V40 PolarHBondContact O-N 2.8Å |
| 39 | M | 52.3 | Low | 56.4 | Low | 173 Ų | 173 | 146.7 Ų | 146.7 | 85% | 0.852 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -56.8 | 132.2 | 156.6 | -77.2 | 176.6 | 154.4 | 0 | 0 | 105.7 | K37 | K37-M39 PolarHBondContact O-N 3.2Å; K37-M39 VanDerWaalsContact C-N 3.26Å |
| 40 | V | 53.1 | Low | 55.9 | Low | 137 Ų | 137 | 145.3 Ų | 145.3 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 92.1 | 66.6 | -169.5 | -162.3 | 0 | 0 | 0 | 0 | 113.9 | S38 | S38-V40 PolarHBondContact O-N 2.8Š|
| 41 | S | 46.8 | Very low | 54.9 | Low | 96 Ų | 96 | 148 Ų | 148 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | | | | -175.6 | 116.7 | 117.9 | 55.4 | 0 | 0 | 0 | 0 | 107.6 | P43 | S41-P43 WeakPolarHBondContact O-CD 3.49Š|
| 42 | E | 48.3 | Very low | 53.9 | Low | 164 Ų | 164 | 148.3 Ų | 148.3 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | | | trans | -43.6 | 142.5 | 156 | -110.5 | 178.4 | 106.4 | 0 | 0 | 109.8 | E44 | E42-E44 WeakPolarHBondContact OE1-CG 3.45Š|
| 43 | P | 45.2 | Very low | 53.1 | Low | 114 Ų | 114 | 152.7 Ų | 152.7 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | | | | -130 | 125.3 | 119.5 | 32.9 | -23.1 | 0 | 0 | 0 | 109.8 | S41 N45 | S41-P43 WeakPolarHBondContact O-CD 3.49Å; P43-N45 PolarHBondContact O-N 3.16Å |
| 44 | E | 51.4 | Low | 52.2 | Low | 170 Ų | 170 | 146.1 Ų | 146.1 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | | | trans | -45 | 106.2 | 151.6 | -59.7 | 176.5 | 132.7 | 0 | 0 | 109.1 | E42 | E42-E44 WeakPolarHBondContact OE1-CG 3.45Š|
| 45 | N | 52.5 | Low | 51.8 | Low | 136 Ų | 136 | 148.9 Ų | 148.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -147.9 | 86.3 | 150.5 | -149.6 | -109.7 | 0 | 0 | 0 | 109.5 | P43 | P43-N45 PolarHBondContact O-N 3.16Š|
| 46 | E | 53 | Low | 50.7 | Low | 177 Ų | 177 | 151.9 Ų | 151.9 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | | | trans | -24.2 | 146.2 | 139.3 | -163.7 | 172.3 | -173.5 | 0 | 0 | 112.7 | | |
| 47 | I | 53.9 | Low | 50.2 | Low | 141 Ų | 141 | 155 Ų | 155 | 72% | 0.723 | 79% | 0.785 | S | S | * | * | | | trans | 97.2 | 70 | -178.2 | -42.4 | 154.2 | 0 | 0 | 0 | 114.7 | | |
| 48 | Q | 49 | Very low | 49.7 | Very low | 198 Ų | 198 | 157.7 Ų | 157.7 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | | | trans | -162.9 | 41.3 | 138.8 | -107.5 | 165.8 | 80.2 | 0 | 0 | 112.9 | A50 | Q48-A50 PolarHBondContact O-N 3.34Š|
| 49 | K | 49.4 | Very low | 49.3 | Very low | 202 Ų | 202 | 161 Ų | 161 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | | | trans | -60.5 | 131.3 | 157.8 | 169.9 | -178.9 | 157.2 | -170.9 | 0 | 109 | | |
| 50 | A | 51.2 | Low | 48.8 | Very low | 87 Ų | 87 | 157.7 Ų | 157.7 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | | | trans | 79.4 | 139 | 158.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | Q48 | Q48-A50 PolarHBondContact O-N 3.34Š|
| 51 | K | 46.9 | Very low | 48.1 | Very low | 209 Ų | 209 | 157.3 Ų | 157.3 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | | | trans | 86.2 | 108.1 | 171.5 | -144.1 | 172.6 | -173.5 | 177.7 | 0 | 111.6 | | |
| 52 | A | 44.5 | Very low | 48.6 | Very low | 84 Ų | 84 | 161.6 Ų | 161.6 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | | | cis | -162.7 | 107.4 | 40.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 53 | R | 51.3 | Low | 48.8 | Very low | 250 Ų | 250 | 161.7 Ų | 161.7 | 94% | 0.943 | 80% | 0.795 | S | S | * | * | | | | 9 | 109.7 | 94.1 | -87 | -171.7 | 171.3 | -134.4 | -0 | 113.3 | | |
| 54 | G | 48.2 | Very low | 49.2 | Very low | 67 Ų | 67 | 164.5 Ų | 164.5 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | trans | 85.5 | 103.6 | 144.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | R56 | G54-R56 PolarHBondContact O-N 3.47Š|
| 55 | R | 53.4 | Low | 49.2 | Very low | 250 Ų | 250 | 166.4 Ų | 166.4 | 94% | 0.943 | 80% | 0.796 | S | S | * | * | | | | 1.6 | 107.7 | 126.7 | -66.9 | 162.2 | 83.8 | -178 | 7.7 | 113.8 | | |
| 56 | R | 47.9 | Very low | 49.1 | Very low | 219 Ų | 219 | 165.9 Ų | 165.9 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | | | | -171.6 | 109.4 | 122.5 | -119.5 | 174.9 | 176.5 | 179.3 | -2 | 111.9 | G54 | G54-R56 PolarHBondContact O-N 3.47Š|
| 57 | L | 50 | Low | 49.2 | Very low | 127 Ų | 127 | 163.6 Ų | 163.6 | 67% | 0.665 | 79% | 0.791 | S | S | * | * | | | trans | -30 | 129.3 | 140.7 | -172.7 | 73.8 | 0 | 0 | 0 | 112.4 | F59 | L57-F59 HydrophobicContact CD1-CD2 4.17Å; L57-F59 HydrophobicContact CD1-CE2 3.65Å; L57-F59 HydrophobicContact CD1-CZ 4.39Å; L57-F59 HydrophobicContact CG-CD2 4.45Å; L57-F59 HydrophobicContact CG-CE2 4.27Å |
| 58 | R | 47 | Very low | 49.2 | Very low | 214 Ų | 214 | 162 Ų | 162 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | | | | -176.9 | 113 | 126.4 | -94.8 | 163.3 | -154.9 | -132 | 5.8 | 111.4 | | |
| 59 | F | 40.7 | Very low | 48.9 | Very low | 167 Ų | 167 | 164.9 Ų | 164.9 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | | | trans | -14.5 | 141.8 | 150.1 | -66 | -79.9 | 0 | 0 | 0 | 120 | L57 | L57-F59 HydrophobicContact CD1-CD2 4.17Å; L57-F59 HydrophobicContact CD1-CE2 3.65Å; L57-F59 HydrophobicContact CD1-CZ 4.39Å; L57-F59 HydrophobicContact CG-CD2 4.45Å; L57-F59 HydrophobicContact CG-CE2 4.27Å |
| 60 | S | 41.5 | Very low | 48.9 | Very low | 103 Ų | 103 | 163 Ų | 163 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | | | trans | 59.2 | 147.2 | 138.3 | -32.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 61 | T | 38.5 | Very low | 48.7 | Very low | 129 Ų | 129 | 167 Ų | 167 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | cis | -162.7 | 150 | 33.5 | -59.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 62 | E | 56.9 | Low | 48.9 | Very low | 185 Ų | 185 | 164.7 Ų | 164.7 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | -47.5 | 140.1 | 164.9 | -78 | 162.1 | 83.3 | 0 | 0 | 113 | | |
| 63 | E | 51.3 | Low | 49.1 | Very low | 167 Ų | 167 | 169.4 Ų | 169.4 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | | | trans | -156.2 | 111 | 136.7 | -162.2 | 172.5 | 123.8 | 0 | 0 | 110.4 | | |
| 64 | K | 55.3 | Low | 49 | Very low | 172 Ų | 172 | 164.4 Ų | 164.4 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | -58.5 | 149 | 164.9 | -79.5 | -177.7 | 170.3 | -175.3 | 0 | 111.1 | | |
| 65 | R | 50.9 | Low | 49 | Very low | 211 Ų | 211 | 170.9 Ų | 170.9 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | | | | 176.3 | 98.1 | 123.8 | -90.3 | 151.5 | -170 | 170.8 | 4.5 | 106.7 | | |
| 66 | D | 49.5 | Very low | 48.7 | Very low | 125 Ų | 125 | 165.2 Ų | 165.2 | 67% | 0.668 | 79% | 0.792 | S | S | * | * | | | | 74 | 84 | 94.1 | -69.1 | -46.9 | 0 | 0 | 0 | 112.5 | | |
| 67 | T | 54.9 | Low | 48.8 | Very low | 128 Ų | 128 | 161.1 Ų | 161.1 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | | 40.3 | 169.3 | 124.6 | 5 | 0 | 0 | 0 | 0 | 122.4 | | |
| 68 | P | 55.6 | Low | 48.7 | Very low | 108 Ų | 108 | 163.9 Ų | 163.9 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | | | | -119.4 | 177.5 | -115.6 | 40.9 | -22.5 | 0 | 0 | 0 | 113.3 | | |
| 69 | H | 42 | Very low | 48.8 | Very low | 258 Ų | 258 | 159.4 Ų | 159.4 | 100% | 1.194 | 80% | 0.798 | S | S | * | * | | | trans | -161.2 | 0 | 131.1 | -126.7 | -47.9 | 0 | 0 | 0 | 112.6 | | |