| 1 | S | 54.2 | Low | 68.6 | Low | 172 Ų | 172 | 110.2 Ų | 110.2 | 100% | 1.203 | 65% | 0.654 | S | S | * | * | | | | 0 | 107.4 | 0 | -168 | 0 | 0 | 0 | 0 | 107.9 | | |
| 2 | S | 70.3 | Confident | 68.9 | Low | 126 Ų | 126 | 112.4 Ų | 112.4 | 88% | 0.881 | 65% | 0.653 | S | S | * | * | | | trans | -93.3 | 94.5 | -178.6 | -173.4 | 0 | 0 | 0 | 0 | 108.4 | S4 | S2-S4 PolarHBondContact O-N 3.39Š|
| 3 | H | 70 | Confident | 69 | Low | 163 Ų | 163 | 118.8 Ų | 118.8 | 76% | 0.755 | 67% | 0.673 | S | S | * | * | | | trans | -88.9 | 87.1 | 179.7 | -168.6 | -58.5 | 0 | 0 | 0 | 109.1 | | |
| 4 | S | 71.3 | Confident | 69.1 | Low | 97 Ų | 97 | 116.4 Ų | 116.4 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 125.6 | 165.9 | -174.5 | 0 | 0 | 0 | 0 | 108.2 | S2 H6 | S2-S4 PolarHBondContact O-N 3.39Å; S4-H6 PolarHBondContact O-N 2.94Å |
| 5 | P | 76.4 | Confident | 69.6 | Low | 74 Ų | 74 | 115.7 Ų | 115.7 | 48% | 0.481 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 132.7 | 177.8 | 24.1 | -31.7 | 0 | 0 | 0 | 109 | A10 | P5-A10 HydrophobicContact CG-CB 4.47Š|
| 6 | H | 71.6 | Confident | 69.5 | Low | 108 Ų | 108 | 113.3 Ų | 113.3 | 50% | 0.5 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -51.6 | 132.8 | 178.2 | -169.1 | -81.9 | 0 | 0 | 0 | 108.3 | S4 L8 F9 A10 | S4-H6 PolarHBondContact O-N 2.94Å; H6-L8 VanDerWaalsContact CE1-CD1 3.44Å; H6-L8 WeakPolarHBondContact CE1-CD1 3.45Å; H6-L8 WeakPolarHBondContact ND1-CB 3.37Å; H6-L8 WeakPolarHBondContact ND1-CG 3.49Å; H6-L8 PolarHBondContact ND1-N 3.17Å; H6-L8 PolarHBondContact O-N 3.21Å; H6-F9 HydrophobicContact CB-CD2 4.2Å; H6-F9 PolarHBondContact O-N 3.41Å; H6-A10 PolarHBondContact O-N 3.11Å; H6-A10 VanDerWaalsContact O-N 3.14Å |
| 7 | P | 69.1 | Low | 69.3 | Low | 75 Ų | 75 | 110.6 Ų | 110.6 | 49% | 0.487 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.6 | -23.3 | -170.2 | 19.3 | -32.9 | 0 | 0 | 0 | 113.2 | F9 R14 | P7-F9 VanDerWaalsContact C-N 3.33Å; P7-F9 PolarHBondContact O-N 3.47Å; P7-R14 PolarHBondContact O-NE 3.02Å; P7-R14 PolarHBondContact O-NH2 3.4Å |
| 8 | L | 68.8 | Low | 69.2 | Low | 82 Ų | 82 | 110.6 Ų | 110.6 | 43% | 0.429 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.6 | -33.6 | 171.8 | -65.4 | 178.8 | 0 | 0 | 0 | 115.1 | H6 R14 | H6-L8 VanDerWaalsContact CE1-CD1 3.44Å; H6-L8 WeakPolarHBondContact CE1-CD1 3.45Å; H6-L8 WeakPolarHBondContact ND1-CB 3.37Å; H6-L8 WeakPolarHBondContact ND1-CG 3.49Å; H6-L8 PolarHBondContact ND1-N 3.17Å; H6-L8 PolarHBondContact O-N 3.21Å; L8-R14 VanDerWaalsContact CA-NH2 3.27Å |
| 9 | F | 69.3 | Low | 69.1 | Low | 169 Ų | 169 | 108.9 Ų | 108.9 | 74% | 0.741 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | -1.9 | -178.2 | -55.1 | -70.9 | 0 | 0 | 0 | 112.6 | H6 P7 | H6-F9 HydrophobicContact CB-CD2 4.2Å; H6-F9 PolarHBondContact O-N 3.41Å; P7-F9 VanDerWaalsContact C-N 3.33Å; P7-F9 PolarHBondContact O-N 3.47Å |
| 10 | A | 69.4 | Low | 69.6 | Low | 17 Ų | 17 | 108.3 Ų | 108.3 | 14% | 0.14 | 60% | 0.601 | C | S | . | * | S | Bend | trans | -62.7 | 139.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | P5 H6 Q12 | P5-A10 HydrophobicContact CG-CB 4.47Å; H6-A10 PolarHBondContact O-N 3.11Å; H6-A10 VanDerWaalsContact O-N 3.14Å; A10-Q12 HydrophobicContact CB-CG 4.39Å; A10-Q12 PolarHBondContact O-N 3.14Å |
| 11 | S | 64.8 | Low | 69.5 | Low | 129 Ų | 129 | 106.8 Ų | 106.8 | 90% | 0.902 | 60% | 0.596 | S | S | * | * | | | trans | -66.6 | 17.7 | 178 | 61.4 | 0 | 0 | 0 | 0 | 114.1 | Q13 | S11-Q13 PolarHBondContact O-N 3.46Š|
| 12 | Q | 71.8 | Confident | 70.2 | Confident | 137 Ų | 137 | 107 Ų | 107 | 64% | 0.64 | 57% | 0.57 | S | S | * | * | | | trans | -61.4 | 126.4 | 171.9 | -73 | 176.5 | 31.2 | 0 | 0 | 107.9 | A10 R14 | A10-Q12 HydrophobicContact CB-CG 4.39Å; A10-Q12 PolarHBondContact O-N 3.14Å; Q12-R14 PolarHBondContact O-N 3.18Å |
| 13 | Q | 70.4 | Confident | 70.1 | Confident | 195 Ų | 195 | 103.2 Ų | 103.2 | 91% | 0.911 | 54% | 0.54 | S | S | * | . | | | trans | -56.8 | 98.3 | 177.2 | -175.2 | -179.6 | -49.1 | 0 | 0 | 109 | S11 | S11-Q13 PolarHBondContact O-N 3.46Š|
| 14 | R | 70.3 | Confident | 70.1 | Confident | 86 Ų | 86 | 99.5 Ų | 99.5 | 33% | 0.325 | 53% | 0.525 | S | S | . | . | | | trans | -87 | 137.5 | 177.2 | -74 | 168.3 | 174.9 | -113.6 | -26.4 | 108.9 | P7 L8 Q12 P16 F19 | P7-R14 PolarHBondContact O-NE 3.02Å; P7-R14 PolarHBondContact O-NH2 3.4Å; L8-R14 VanDerWaalsContact CA-NH2 3.27Å; Q12-R14 PolarHBondContact O-N 3.18Å; R14-P16 WeakPolarHBondContact O-CD 3.07Å; R14-F19 HydrophobicContact CB-CB 4.17Å |
| 15 | D | 76.5 | Confident | 69.8 | Low | 105 Ų | 105 | 99.2 Ų | 99.2 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | | | trans | -58.2 | 122.6 | 168.7 | -66.4 | -52.3 | 0 | 0 | 0 | 108.8 | S17 T18 F19 | D15-S17 VanDerWaalsContact O-N 3.08Å; D15-S17 PolarHBondContact O-N 3.4Å; D15-T18 PolarHBondContact O-N 3.41Å; D15-F19 PolarHBondContact O-N 3.22Å |
| 16 | P | 67.6 | Low | 69.2 | Low | 78 Ų | 78 | 103.7 Ų | 103.7 | 51% | 0.506 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.6 | -28 | -175 | -24.4 | 32.2 | 0 | 0 | 0 | 112.8 | R14 T18 Y20 L23 | R14-P16 WeakPolarHBondContact O-CD 3.07Å; P16-T18 VanDerWaalsContact C-N 3.35Å; P16-Y20 HydrophobicContact CB-CD2 4.38Å; P16-Y20 WeakPolarHBondContact O-CB 2.96Å; P16-Y20 WeakPolarHBondContact O-CD2 3.44Å; P16-Y20 PolarHBondContact O-N 3.42Å; P16-L23 HydrophobicContact CB-CD2 4.09Å |
| 17 | S | 67.2 | Low | 68.7 | Low | 68 Ų | 68 | 107.8 Ų | 107.8 | 48% | 0.476 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.2 | -26.6 | 174.5 | 48.8 | 0 | 0 | 0 | 0 | 113.4 | D15 I24 | D15-S17 VanDerWaalsContact O-N 3.08Å; D15-S17 PolarHBondContact O-N 3.4Å; S17-I24 WeakPolarHBondContact O-CD1 3.44Å; S17-I24 WeakPolarHBondContact O-CG1 3.36Å |
| 18 | T | 66.6 | Low | 68.5 | Low | 109 Ų | 109 | 113.5 Ų | 113.5 | 67% | 0.669 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -88.7 | -29.4 | -178.8 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | D15 P16 | D15-T18 PolarHBondContact O-N 3.41Å; P16-T18 VanDerWaalsContact C-N 3.35Å |
| 19 | F | 68 | Low | 68.1 | Low | 79 Ų | 79 | 117.6 Ų | 117.6 | 35% | 0.346 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -92.6 | -27.7 | -175.4 | -168.3 | -118.2 | 0 | 0 | 0 | 114.3 | R14 D15 P21 | R14-F19 HydrophobicContact CB-CB 4.17Å; D15-F19 PolarHBondContact O-N 3.22Å; F19-P21 WeakPolarHBondContact O-CD 3.23Å |
| 20 | Y | 78.9 | Confident | 67.9 | Low | 97 Ų | 97 | 116.5 Ų | 116.5 | 38% | 0.38 | 56% | 0.556 | S | S | . | * | | | trans | -105.5 | 95.8 | -178.9 | -63.8 | -65.7 | 0 | 0 | 0 | 110.8 | P16 W22 L23 | P16-Y20 HydrophobicContact CB-CD2 4.38Å; P16-Y20 WeakPolarHBondContact O-CB 2.96Å; P16-Y20 WeakPolarHBondContact O-CD2 3.44Å; P16-Y20 PolarHBondContact O-N 3.42Å; Y20-W22 AromaticContact CD1-CH2 3.85Å; Y20-W22 VanDerWaalsContact O-N 3.15Å; Y20-W22 PolarHBondContact O-N 2.93Å; Y20-W22 AromaticContact CG-NE1 3.97Å; Y20-W22 HydrophobicContact CG-CZ2 4.05Å; Y20-W22 HydrophobicContact CE1-CZ2 3.77Å; Y20-W22 AromaticContact CE1-CZ2 3.77Å; Y20-W22 HydrophobicContact CE1-CH2 4.25Å; Y20-W22 HydrophobicContact CD1-CZ2 3.24Å; Y20-W22 AromaticContact CD1-CZ2 3.24Å; Y20-W22 HydrophobicContact CD1-CH2 3.85Å; Y20-W22 AromaticContact CD1-CE2 3.67Å; Y20-L23 VanDerWaalsContact O-CB 3.23Å; Y20-L23 PolarHBondContact O-N 3.42Å; Y20-L23 WeakPolarHBondContact O-CB 3.49Å |
| 21 | P | 67.5 | Low | 67.8 | Low | 76 Ų | 76 | 119 Ų | 119 | 49% | 0.494 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -56.3 | -35.7 | -177.8 | 19.9 | -31.4 | 0 | 0 | 0 | 112.1 | F19 L23 I24 H25 | F19-P21 WeakPolarHBondContact O-CD 3.23Å; P21-L23 PolarHBondContact O-N 2.77Å; P21-I24 PolarHBondContact O-N 3.42Å; P21-I24 VanDerWaalsContact O-N 3.1Å; P21-I24 WeakPolarHBondContact O-CB 3.17Å; P21-H25 PolarHBondContact O-CD2 3.19Å; P21-H25 PolarHBondContact O-N 3.1Å |
| 22 | W | 68.8 | Low | 68 | Low | 177 Ų | 177 | 121.4 Ų | 121.4 | 67% | 0.67 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60 | -25.8 | 175.1 | 60.6 | 64.2 | 0 | 0 | 0 | 114.2 | Y20 | Y20-W22 AromaticContact CD1-CH2 3.85Å; Y20-W22 VanDerWaalsContact O-N 3.15Å; Y20-W22 PolarHBondContact O-N 2.93Å; Y20-W22 AromaticContact CG-NE1 3.97Å; Y20-W22 HydrophobicContact CG-CZ2 4.05Å; Y20-W22 HydrophobicContact CE1-CZ2 3.77Å; Y20-W22 AromaticContact CE1-CZ2 3.77Å; Y20-W22 HydrophobicContact CE1-CH2 4.25Å; Y20-W22 HydrophobicContact CD1-CZ2 3.24Å; Y20-W22 AromaticContact CD1-CZ2 3.24Å; Y20-W22 HydrophobicContact CD1-CH2 3.85Å; Y20-W22 AromaticContact CD1-CE2 3.67Å |
| 23 | L | 68.9 | Low | 67.8 | Low | 46 Ų | 46 | 124.3 Ų | 124.3 | 24% | 0.241 | 59% | 0.585 | C | S | . | * | H | α-helix | trans | -76.1 | -29.3 | 179.4 | -151.2 | 74.5 | 0 | 0 | 0 | 111.4 | P16 Y20 P21 | P16-L23 HydrophobicContact CB-CD2 4.09Å; Y20-L23 VanDerWaalsContact O-CB 3.23Å; Y20-L23 PolarHBondContact O-N 3.42Å; Y20-L23 WeakPolarHBondContact O-CB 3.49Å; P21-L23 PolarHBondContact O-N 2.77Å |
| 24 | I | 68.1 | Low | 67.6 | Low | 86 Ų | 86 | 124.1 Ų | 124.1 | 44% | 0.441 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -76.3 | -30.7 | 179.8 | -48.3 | 174.3 | 0 | 0 | 0 | 111.1 | S17 P21 R26 Y27 | S17-I24 WeakPolarHBondContact O-CD1 3.44Å; S17-I24 WeakPolarHBondContact O-CG1 3.36Å; P21-I24 PolarHBondContact O-N 3.42Å; P21-I24 VanDerWaalsContact O-N 3.1Å; P21-I24 WeakPolarHBondContact O-CB 3.17Å; I24-R26 PolarHBondContact O-N 3.32Å; I24-R26 VanDerWaalsContact O-N 3.12Å; I24-Y27 PolarHBondContact O-N 3.31Å |
| 25 | H | 65.4 | Low | 67.8 | Low | 90 Ų | 90 | 128.3 Ų | 128.3 | 42% | 0.417 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -66 | -14.5 | -176.2 | -73 | -72.6 | 0 | 0 | 0 | 114.3 | P21 Y27 R28 Y29 | P21-H25 PolarHBondContact O-CD2 3.19Å; P21-H25 PolarHBondContact O-N 3.1Å; H25-Y27 PolarHBondContact O-N 3.12Å; H25-R28 PolarHBondContact O-N 3.26Å; H25-Y29 WeakPolarHBondContact O-CD2 3.34Å; H25-Y29 WeakPolarHBondContact O-CE2 3.37Å |
| 26 | R | 64.7 | Low | 67.3 | Low | 168 Ų | 168 | 126 Ų | 126 | 63% | 0.634 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -65.9 | -24.5 | 176.6 | -71.9 | -169.5 | -65.7 | -134 | 6.1 | 113.9 | I24 | I24-R26 PolarHBondContact O-N 3.32Å; I24-R26 VanDerWaalsContact O-N 3.12Å |
| 27 | Y | 61 | Low | 67.3 | Low | 194 Ų | 194 | 131.5 Ų | 131.5 | 76% | 0.761 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -103.8 | -1.9 | -178.9 | -58.4 | -72.5 | 0 | 0 | 0 | 113.6 | I24 H25 Y29 | I24-Y27 PolarHBondContact O-N 3.31Å; H25-Y27 PolarHBondContact O-N 3.12Å; Y27-Y29 PolarHBondContact O-N 2.87Å |
| 28 | R | 64.1 | Low | 66.9 | Low | 196 Ų | 196 | 133 Ų | 133 | 74% | 0.74 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 6.7 | -170.4 | -160.4 | 162.3 | 168.6 | 98.8 | -0.7 | 115 | H25 | H25-R28 PolarHBondContact O-N 3.26Š|
| 29 | Y | 61.8 | Low | 66.3 | Low | 167 Ų | 167 | 135.8 Ų | 135.8 | 66% | 0.655 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | 23.3 | -179.2 | -55.6 | -71.5 | 0 | 0 | 0 | 114.9 | H25 Y27 G31 | H25-Y29 WeakPolarHBondContact O-CD2 3.34Å; H25-Y29 WeakPolarHBondContact O-CE2 3.37Å; Y27-Y29 PolarHBondContact O-N 2.87Å; Y29-G31 VanDerWaalsContact C-N 3.28Å; Y29-G31 PolarHBondContact O-N 3.15Å |
| 30 | L | 64.1 | Low | 65.6 | Low | 146 Ų | 146 | 139.1 Ų | 139.1 | 76% | 0.764 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -84.6 | 4.2 | 173.9 | -158.6 | 61.5 | 0 | 0 | 0 | 114.1 | | |
| 31 | G | 67.4 | Low | 64.1 | Low | 71 Ų | 71 | 139.3 Ų | 139.3 | 73% | 0.732 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -118.9 | -20.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y29 R33 | Y29-G31 VanDerWaalsContact C-N 3.28Å; Y29-G31 PolarHBondContact O-N 3.15Å; G31-R33 PolarHBondContact O-N 3.46Å |
| 32 | H | 68.9 | Low | 63.4 | Low | 178 Ų | 178 | 144 Ų | 144 | 82% | 0.824 | 70% | 0.698 | S | S | * | * | | | trans | -104.5 | 57.6 | -171.7 | -113.2 | -66.8 | 0 | 0 | 0 | 111.8 | F34 | H32-F34 PolarHBondContact O-N 2.67Š|
| 33 | R | 67.1 | Low | 62.4 | Low | 198 Ų | 198 | 140.9 Ų | 140.9 | 75% | 0.747 | 70% | 0.701 | S | S | * | * | | | trans | -79.8 | 100.7 | 167.5 | -64.6 | -175.7 | -173.9 | -179.6 | 1.8 | 107.9 | G31 Q35 | G31-R33 PolarHBondContact O-N 3.46Å; R33-Q35 PolarHBondContact O-N 3.26Å |
| 34 | F | 67.5 | Low | 61.4 | Low | 191 Ų | 191 | 147.4 Ų | 147.4 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | | | trans | -49.7 | 107.9 | 166.9 | 177.8 | -102.1 | 0 | 0 | 0 | 109.8 | H32 G36 | H32-F34 PolarHBondContact O-N 2.67Å; F34-G36 VanDerWaalsContact C-N 3.34Å; F34-G36 PolarHBondContact O-N 2.85Å |
| 35 | Q | 73.2 | Confident | 60.7 | Low | 175 Ų | 175 | 149.7 Ų | 149.7 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | | | trans | -82.7 | 80.4 | 171.8 | -80.6 | -176.6 | -6.8 | 0 | 0 | 109.1 | R33 K37 | R33-Q35 PolarHBondContact O-N 3.26Å; Q35-K37 PolarHBondContact O-N 3.08Å; Q35-K37 VanDerWaalsContact C-N 3.3Å |
| 36 | G | 67.3 | Low | 59.6 | Low | 57 Ų | 57 | 153.8 Ų | 153.8 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | | | trans | -70.2 | 84.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F34 | F34-G36 VanDerWaalsContact C-N 3.34Å; F34-G36 PolarHBondContact O-N 2.85Å |
| 37 | K | 67.3 | Low | 59.1 | Low | 192 Ų | 192 | 152.4 Ų | 152.4 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | | | trans | -130.5 | 95.1 | 166.1 | -68.1 | -174.5 | -179.9 | -171.6 | 0 | 109.4 | Q35 | Q35-K37 PolarHBondContact O-N 3.08Å; Q35-K37 VanDerWaalsContact C-N 3.3Å |
| 38 | S | 59.2 | Low | 58.3 | Low | 101 Ų | 101 | 151.9 Ų | 151.9 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | 175.4 | 122.9 | 162.7 | 169.5 | 0 | 0 | 0 | 0 | 106.4 | | |
| 39 | M | 52.8 | Low | 57.3 | Low | 167 Ų | 167 | 152.3 Ų | 152.3 | 82% | 0.823 | 78% | 0.778 | S | S | * | * | | | cis | -164.8 | 165.7 | 4.9 | -89.5 | 166.5 | 174.4 | 0 | 0 | 105.8 | | |
| 40 | V | 53.7 | Low | 56.6 | Low | 148 Ų | 148 | 149 Ų | 149 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | | | trans | 82 | 114.3 | 167 | -162.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 41 | S | 48.2 | Very low | 55.9 | Low | 102 Ų | 102 | 151.4 Ų | 151.4 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | | | cis | -138.7 | 125.9 | 41.4 | 53.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 42 | E | 51.2 | Low | 54.7 | Low | 173 Ų | 173 | 152.9 Ų | 152.9 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | | | trans | -76.9 | 129.3 | 158.4 | -161.1 | -166.8 | 151.3 | 0 | 0 | 108.6 | | |
| 43 | P | 47.7 | Very low | 53.8 | Low | 113 Ų | 113 | 148.8 Ų | 148.8 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | | -128.9 | 111.3 | 129.3 | 32.4 | -21.2 | 0 | 0 | 0 | 110.6 | | |
| 44 | K | 48.1 | Very low | 53 | Low | 182 Ų | 182 | 143 Ų | 143 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | | | trans | 20 | 133.4 | 139.4 | -123.8 | 163.8 | -177.1 | 169.1 | 0 | 118.3 | | |
| 45 | N | 53.7 | Low | 52.5 | Low | 135 Ų | 135 | 145 Ų | 145 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | | | trans | 106.4 | 93.8 | 145.7 | -152.5 | -99.7 | 0 | 0 | 0 | 116.3 | | |
| 46 | K | 42.9 | Very low | 51.7 | Low | 176 Ų | 176 | 146.5 Ų | 146.5 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | | | | 179.1 | 129.4 | 102.8 | -113.5 | 153.9 | -177.9 | -170.8 | 0 | 111.2 | Q48 | K46-Q48 PolarHBondContact O-N 3.27Š|
| 47 | V | 54.8 | Low | 51.4 | Low | 138 Ų | 138 | 149.3 Ų | 149.3 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | | | trans | -50.8 | 125.4 | 164 | 173.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 48 | Q | 44.2 | Very low | 50.8 | Low | 183 Ų | 183 | 149.4 Ų | 149.4 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | | | trans | -155.9 | 109.8 | 154.1 | -110.5 | 164.1 | 78.7 | 0 | 0 | 111.8 | K46 | K46-Q48 PolarHBondContact O-N 3.27Š|
| 49 | K | 42.7 | Very low | 50.4 | Low | 206 Ų | 206 | 153 Ų | 153 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | | | trans | -57.6 | 126.2 | 164.6 | 170.3 | -175.2 | 177 | -179.5 | 0 | 110.5 | | |
| 50 | A | 45.8 | Very low | 50.3 | Low | 97 Ų | 97 | 149.6 Ų | 149.6 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | | | trans | -161.5 | 98.5 | 151.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 51 | E | 50.4 | Low | 50.2 | Low | 197 Ų | 197 | 149 Ų | 149 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | | | trans | -67.3 | 127.7 | 155.3 | -70.3 | -177.9 | 129.1 | 0 | 0 | 108.4 | | |
| 52 | A | 43.1 | Very low | 50.9 | Low | 102 Ų | 102 | 154 Ų | 154 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | | | trans | -178.6 | 119.7 | 144 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 53 | G | 48.8 | Very low | 51.5 | Low | 91 Ų | 91 | 152.3 Ų | 152.3 | 94% | 0.938 | 80% | 0.802 | S | S | * | * | | | trans | 80.6 | 91.2 | 141.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 54 | G | 51 | Low | 51.8 | Low | 78 Ų | 78 | 155.1 Ų | 155.1 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -151.6 | 53.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 55 | R | 55.9 | Low | 52.5 | Low | 231 Ų | 231 | 156.5 Ų | 156.5 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | | | trans | 60.2 | 80.3 | 150.5 | -153.9 | 171.9 | -173.5 | 173.5 | 0.8 | 117.7 | L57 | R55-L57 PolarHBondContact O-N 3.31Å; R55-L57 VanDerWaalsContact O-N 3.11Å |
| 56 | R | 56.8 | Low | 52.8 | Low | 208 Ų | 208 | 156.4 Ų | 156.4 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -66.3 | 99.2 | 153.9 | -100.9 | 179.2 | 170.6 | 176.1 | -4.2 | 109.2 | R58 | R56-R58 PolarHBondContact O-N 3.48Å; R56-R58 VanDerWaalsContact O-N 3.14Å |
| 57 | L | 60.8 | Low | 53.5 | Low | 115 Ų | 115 | 152.5 Ų | 152.5 | 60% | 0.602 | 80% | 0.802 | S | S | * | * | | | trans | -74.8 | 96.9 | 166.2 | -175.6 | 65 | 0 | 0 | 0 | 108.1 | R55 F59 | R55-L57 PolarHBondContact O-N 3.31Å; R55-L57 VanDerWaalsContact O-N 3.11Å; L57-F59 HydrophobicContact CG-CZ 4.09Å; L57-F59 PolarHBondContact O-N 3.14Å; L57-F59 HydrophobicContact CG-CE2 4.03Å; L57-F59 HydrophobicContact CG-CD2 4.47Å; L57-F59 VanDerWaalsContact CD2-CZ 3.44Å; L57-F59 HydrophobicContact CD2-CZ 3.44Å; L57-F59 HydrophobicContact CD2-CE2 3.71Å; L57-F59 HydrophobicContact CD2-CE1 4.14Å |
| 58 | R | 55.8 | Low | 54.1 | Low | 194 Ų | 194 | 151.6 Ų | 151.6 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | | | trans | -82.2 | 110.3 | 172.6 | -57.4 | -175.8 | -153.6 | -125.8 | 8.3 | 107.6 | R56 A60 | R56-R58 PolarHBondContact O-N 3.48Å; R56-R58 VanDerWaalsContact O-N 3.14Å; R58-A60 PolarHBondContact O-N 2.8Å |
| 59 | F | 50.3 | Low | 54.3 | Low | 178 Ų | 178 | 157.7 Ų | 157.7 | 78% | 0.781 | 82% | 0.817 | S | S | * | * | | | trans | -73.7 | 101.8 | 165.7 | -69.1 | -82.2 | 0 | 0 | 0 | 107.7 | L57 | L57-F59 HydrophobicContact CG-CZ 4.09Å; L57-F59 PolarHBondContact O-N 3.14Å; L57-F59 HydrophobicContact CG-CE2 4.03Å; L57-F59 HydrophobicContact CG-CD2 4.47Å; L57-F59 VanDerWaalsContact CD2-CZ 3.44Å; L57-F59 HydrophobicContact CD2-CZ 3.44Å; L57-F59 HydrophobicContact CD2-CE2 3.71Å; L57-F59 HydrophobicContact CD2-CE1 4.14Å |
| 60 | A | 49.5 | Very low | 54.8 | Low | 94 Ų | 94 | 155.3 Ų | 155.3 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | | | trans | -93.9 | 95.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | R58 K62 | R58-A60 PolarHBondContact O-N 2.8Å; A60-K62 PolarHBondContact O-N 3.49Å |
| 61 | T | 52.3 | Low | 55.3 | Low | 137 Ų | 137 | 158.4 Ų | 158.4 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | | | trans | -74.2 | 101.2 | 162.1 | 39.8 | 0 | 0 | 0 | 0 | 108 | E63 | T61-E63 PolarHBondContact O-N 2.86Š|
| 62 | K | 62.8 | Low | 55.6 | Low | 207 Ų | 207 | 156.2 Ų | 156.2 | 90% | 0.9 | 81% | 0.808 | S | S | * | * | | | trans | -76.3 | 103.9 | 157.6 | -99.2 | -175 | 172 | -177.9 | 0 | 107 | A60 | A60-K62 PolarHBondContact O-N 3.49Š|
| 63 | E | 63 | Low | 56.3 | Low | 137 Ų | 137 | 159.4 Ų | 159.4 | 64% | 0.64 | 81% | 0.806 | S | S | * | * | | | trans | -130.9 | 91.5 | 156.6 | -170.1 | 172.6 | 167.7 | 0 | 0 | 107.8 | T61 R65 | T61-E63 PolarHBondContact O-N 2.86Å; E63-R65 HydrophobicContact CG-CG 4.25Å; E63-R65 IonicContact OE1-CZ 3.39Å; E63-R65 IonicContact OE1-NE 2.77Å; E63-R65 PolarHBondContact OE1-NE 2.8Å; E63-R65 IonicContact OE1-NH2 3.42Å; E63-R65 PolarHBondContact OE1-NH2 3.3Å |
| 64 | K | 55.6 | Low | 56.8 | Low | 171 Ų | 171 | 163.7 Ų | 163.7 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | trans | -105.1 | 95.1 | 166.3 | -78.4 | -77.5 | -172.7 | 172 | 0 | 105.9 | | |
| 65 | R | 61.9 | Low | 57.2 | Low | 211 Ų | 211 | 169.4 Ų | 169.4 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | | | trans | -95.1 | 86.2 | 160.8 | -66.3 | -176 | -162.6 | -156 | -3.8 | 106.2 | E63 A67 | E63-R65 HydrophobicContact CG-CG 4.25Å; E63-R65 IonicContact OE1-CZ 3.39Å; E63-R65 IonicContact OE1-NE 2.77Å; E63-R65 PolarHBondContact OE1-NE 2.8Å; E63-R65 IonicContact OE1-NH2 3.42Å; E63-R65 PolarHBondContact OE1-NH2 3.3Å; R65-A67 PolarHBondContact O-N 2.86Å |
| 66 | D | 61.2 | Low | 57.3 | Low | 133 Ų | 133 | 165 Ų | 165 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | trans | -85.3 | 101.1 | 166.2 | -64.7 | -47.9 | 0 | 0 | 0 | 106.4 | | |
| 67 | A | 56.5 | Low | 57.3 | Low | 94 Ų | 94 | 161.7 Ų | 161.7 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | | | trans | -102.9 | 128.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | R65 | R65-A67 PolarHBondContact O-N 2.86Š|
| 68 | P | 67.3 | Low | 57 | Low | 119 Ų | 119 | 165.6 Ų | 165.6 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | trans | -139.8 | 137.3 | 131.5 | 32.4 | -16.8 | 0 | 0 | 0 | 113 | | |
| 69 | Y | 48.1 | Very low | 57.1 | Low | 312 Ų | 312 | 163 Ų | 163 | 100% | 1.224 | 82% | 0.815 | S | S | * | * | | | trans | 46.4 | 0 | 158.9 | -118.4 | -94.5 | 0 | 0 | 0 | 119.6 | | |