| 1 | K | 67.4 | Low | 78.8 | Confident | 242 Ų | 242 | 119.3 Ų | 119.3 | 100% | 1.052 | 60% | 0.6 | S | S | * | * | | | | 0 | -41.9 | 0 | -155 | 170.1 | 179.7 | 177.5 | 0 | 112.8 | | |
| 2 | A | 71.8 | Confident | 79 | Confident | 78 Ų | 78 | 116.4 Ų | 116.4 | 65% | 0.645 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.7 | -30.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | K4 F5 L6 | A2-K4 VanDerWaalsContact C-N 3.34Å; A2-K4 PolarHBondContact O-N 3.16Å; A2-F5 WeakPolarHBondContact O-CB 3.46Å; A2-F5 PolarHBondContact O-N 3.39Å; A2-F5 VanDerWaalsContact O-N 3.16Å; A2-L6 PolarHBondContact O-N 2.87Å |
| 3 | V | 77.4 | Confident | 78.3 | Confident | 119 Ų | 119 | 110 Ų | 110 | 72% | 0.721 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63 | -39.9 | -179.6 | -178.2 | 0 | 0 | 0 | 0 | 112.3 | F5 L6 A7 | V3-F5 VanDerWaalsContact C-N 3.28Å; V3-F5 PolarHBondContact O-N 3.39Å; V3-L6 PolarHBondContact O-N 3.01Å; V3-A7 PolarHBondContact O-N 3.28Å |
| 4 | K | 84.7 | Confident | 77.7 | Confident | 167 Ų | 167 | 102.8 Ų | 102.8 | 73% | 0.726 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.8 | -37.4 | 176.1 | -175.8 | 173.4 | 69.1 | 169.1 | 0 | 111.9 | A2 N8 | A2-K4 VanDerWaalsContact C-N 3.34Å; A2-K4 PolarHBondContact O-N 3.16Å; K4-N8 WeakPolarHBondContact O-CB 3.23Å; K4-N8 PolarHBondContact O-N 3.22Å |
| 5 | F | 79.8 | Confident | 77.1 | Confident | 108 Ų | 108 | 108.1 Ų | 108.1 | 47% | 0.474 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.6 | -44.8 | 176 | 175 | -82.6 | 0 | 0 | 0 | 110.9 | A2 V3 A7 N8 F9 W17 | A2-F5 WeakPolarHBondContact O-CB 3.46Å; A2-F5 PolarHBondContact O-N 3.39Å; A2-F5 VanDerWaalsContact O-N 3.16Å; V3-F5 VanDerWaalsContact C-N 3.28Å; V3-F5 PolarHBondContact O-N 3.39Å; F5-A7 PolarHBondContact O-N 3.07Å; F5-N8 PolarHBondContact O-N 2.94Å; F5-F9 VanDerWaalsContact O-CB 3.23Å; F5-F9 WeakPolarHBondContact O-CB 3.45Å; F5-F9 PolarHBondContact O-N 3.03Å; F5-W17 AromaticContact CD2-CH2 3.91Å; F5-W17 HydrophobicContact CD2-CH2 3.91Å; F5-W17 HydrophobicContact CD2-CZ3 4.28Å; F5-W17 HydrophobicContact CE1-CZ3 4.28Å; F5-W17 HydrophobicContact CE2-CE3 4.3Å; F5-W17 AromaticContact CE2-CH2 3.13Å; F5-W17 HydrophobicContact CE2-CH2 3.13Å; F5-W17 HydrophobicContact CE2-CZ2 4.35Å; F5-W17 AromaticContact CE2-CZ3 3.11Å; F5-W17 HydrophobicContact CE2-CZ3 3.11Å; F5-W17 AromaticContact CZ-CE3 3.92Å; F5-W17 HydrophobicContact CZ-CE3 3.92Å; F5-W17 AromaticContact CZ-CH2 3.54Å; F5-W17 HydrophobicContact CZ-CH2 3.54Å; F5-W17 AromaticContact CZ-CZ3 3.11Å; F5-W17 HydrophobicContact CZ-CZ3 3.11Å |
| 6 | L | 84.4 | Confident | 76.5 | Confident | 96 Ų | 96 | 108.2 Ų | 108.2 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 178.5 | -169.3 | 63.7 | 0 | 0 | 0 | 111.6 | A2 V3 F9 Y10 | A2-L6 PolarHBondContact O-N 2.87Å; V3-L6 PolarHBondContact O-N 3.01Å; L6-F9 WeakPolarHBondContact O-CB 3.36Å; L6-F9 PolarHBondContact O-N 3.26Å; L6-Y10 HydrophobicContact CD1-CD2 4.1Å; L6-Y10 HydrophobicContact CD1-CE2 3.65Å; L6-Y10 HydrophobicContact CG-CD2 4.17Å; L6-Y10 HydrophobicContact CG-CE2 4.05Å; L6-Y10 VanDerWaalsContact O-CD2 3.28Å; L6-Y10 WeakPolarHBondContact O-CD2 3.33Å; L6-Y10 PolarHBondContact O-N 3.27Å; L6-Y10 VanDerWaalsContact O-N 3.1Å |
| 7 | A | 83.8 | Confident | 75.8 | Confident | 47 Ų | 47 | 108.5 Ų | 108.5 | 39% | 0.388 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61 | -47.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V3 F5 F9 Y10 I11 | V3-A7 PolarHBondContact O-N 3.28Å; F5-A7 PolarHBondContact O-N 3.07Å; A7-F9 VanDerWaalsContact C-N 3.27Å; A7-F9 PolarHBondContact O-N 3.02Å; A7-Y10 PolarHBondContact O-N 2.8Å; A7-I11 HydrophobicContact CB-CD1 4.38Å; A7-I11 WeakPolarHBondContact O-CB 3.19Å; A7-I11 WeakPolarHBondContact O-CD1 3.15Å; A7-I11 WeakPolarHBondContact O-CG1 3.37Å; A7-I11 PolarHBondContact O-N 2.99Å |
| 8 | N | 77.5 | Confident | 75.1 | Confident | 78 Ų | 78 | 108.9 Ų | 108.9 | 42% | 0.417 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.7 | -31.9 | 178.5 | -169.2 | 82.2 | 0 | 0 | 0 | 113 | K4 F5 N12 | K4-N8 WeakPolarHBondContact O-CB 3.23Å; K4-N8 PolarHBondContact O-N 3.22Å; F5-N8 PolarHBondContact O-N 2.94Å; N8-N12 PolarHBondContact ND2-ND2 3.1Å; N8-N12 WeakPolarHBondContact O-CB 3.28Å; N8-N12 PolarHBondContact O-N 3.49Å; N8-N12 PolarHBondContact O-ND2 3.28Å; N8-N12 PolarHBondContact OD1-ND2 3.33Å |
| 9 | F | 80.6 | Confident | 74.5 | Confident | 67 Ų | 67 | 111.1 Ų | 111.1 | 29% | 0.294 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.7 | -43 | 176.4 | 176.2 | -93.9 | 0 | 0 | 0 | 111.8 | F5 L6 A7 G13 G14 W17 | F5-F9 VanDerWaalsContact O-CB 3.23Å; F5-F9 WeakPolarHBondContact O-CB 3.45Å; F5-F9 PolarHBondContact O-N 3.03Å; L6-F9 WeakPolarHBondContact O-CB 3.36Å; L6-F9 PolarHBondContact O-N 3.26Å; A7-F9 VanDerWaalsContact C-N 3.27Å; A7-F9 PolarHBondContact O-N 3.02Å; F9-G13 PolarHBondContact O-N 3.3Å; F9-G14 PolarHBondContact O-N 2.96Å; F9-W17 HydrophobicContact CD2-CD2 4.11Å; F9-W17 HydrophobicContact CD2-CE3 4.42Å; F9-W17 HydrophobicContact CD2-CG 4.28Å; F9-W17 HydrophobicContact CE2-CB 4.25Å; F9-W17 HydrophobicContact CE2-CD2 4.43Å; F9-W17 HydrophobicContact CE2-CG 4.24Å |
| 10 | Y | 78.9 | Confident | 73.5 | Confident | 176 Ų | 176 | 108.2 Ų | 108.2 | 69% | 0.69 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -74.7 | -36.6 | 175.8 | -79.8 | -74.4 | 0 | 0 | 0 | 112.7 | L6 A7 | L6-Y10 HydrophobicContact CD1-CD2 4.1Å; L6-Y10 HydrophobicContact CD1-CE2 3.65Å; L6-Y10 HydrophobicContact CG-CD2 4.17Å; L6-Y10 HydrophobicContact CG-CE2 4.05Å; L6-Y10 VanDerWaalsContact O-CD2 3.28Å; L6-Y10 WeakPolarHBondContact O-CD2 3.33Å; L6-Y10 PolarHBondContact O-N 3.27Å; L6-Y10 VanDerWaalsContact O-N 3.1Å; A7-Y10 PolarHBondContact O-N 2.8Å |
| 11 | I | 80.4 | Confident | 72.6 | Confident | 134 Ų | 134 | 111.9 Ų | 111.9 | 69% | 0.687 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -72.1 | -46 | -177.5 | -68.2 | 164.4 | 0 | 0 | 0 | 112.1 | A7 G13 | A7-I11 HydrophobicContact CB-CD1 4.38Å; A7-I11 WeakPolarHBondContact O-CB 3.19Å; A7-I11 WeakPolarHBondContact O-CD1 3.15Å; A7-I11 WeakPolarHBondContact O-CG1 3.37Å; A7-I11 PolarHBondContact O-N 2.99Å; I11-G13 PolarHBondContact O-N 2.9Å |
| 12 | N | 81.4 | Confident | 72.2 | Confident | 85 Ų | 85 | 106.9 Ų | 106.9 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.7 | 8 | -179.4 | -59.3 | -70.6 | 0 | 0 | 0 | 112.7 | N8 H16 | N8-N12 PolarHBondContact ND2-ND2 3.1Å; N8-N12 WeakPolarHBondContact O-CB 3.28Å; N8-N12 PolarHBondContact O-N 3.49Å; N8-N12 PolarHBondContact O-ND2 3.28Å; N8-N12 PolarHBondContact OD1-ND2 3.33Å; N12-H16 PolarHBondContact O-NE2 3.14Å |
| 13 | G | 69.4 | Low | 71.5 | Confident | 33 Ų | 33 | 114 Ų | 114 | 34% | 0.34 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 59.3 | 84.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | F9 I11 K15 H16 | F9-G13 PolarHBondContact O-N 3.3Å; I11-G13 PolarHBondContact O-N 2.9Å; G13-K15 WeakPolarHBondContact O-CA 3.3Å; G13-K15 WeakPolarHBondContact O-CB 3.44Å; G13-K15 PolarHBondContact O-N 3.49Å; G13-H16 PolarHBondContact O-CD2 3.17Å |
| 14 | G | 70.9 | Confident | 70.7 | Confident | 9 Ų | 9 | 115.9 Ų | 115.9 | 9% | 0.093 | 57% | 0.568 | C | S | . | * | G | 310 helix | trans | -44.4 | 0.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | F9 H16 W17 | F9-G14 PolarHBondContact O-N 2.96Å; G14-H16 PolarHBondContact O-N 2.94Å; G14-H16 VanDerWaalsContact O-N 3.13Å; G14-W17 VanDerWaalsContact O-CB 3.3Å; G14-W17 WeakPolarHBondContact O-CB 3.17Å; G14-W17 PolarHBondContact O-N 3.02Å |
| 15 | K | 68.3 | Low | 69.4 | Low | 182 Ų | 182 | 113.9 Ų | 113.9 | 79% | 0.791 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -36.6 | -35.2 | 159.3 | -150.7 | -178.9 | -174.1 | -173.3 | 0 | 115.1 | G13 T18 H19 | G13-K15 WeakPolarHBondContact O-CA 3.3Å; G13-K15 WeakPolarHBondContact O-CB 3.44Å; G13-K15 PolarHBondContact O-N 3.49Å; K15-T18 PolarHBondContact O-OG1 3.42Å; K15-H19 PolarHBondContact O-CD2 2.91Å |
| 16 | H | 68.2 | Low | 68.3 | Low | 110 Ų | 110 | 116.5 Ų | 116.5 | 51% | 0.509 | 58% | 0.584 | S | S | . | * | G | 310 helix | trans | -92.2 | -3.3 | 177.6 | 56.8 | 86.5 | 0 | 0 | 0 | 114.1 | N12 G13 G14 | N12-H16 PolarHBondContact O-NE2 3.14Å; G13-H16 PolarHBondContact O-CD2 3.17Å; G14-H16 PolarHBondContact O-N 2.94Å; G14-H16 VanDerWaalsContact O-N 3.13Å |
| 17 | W | 63.8 | Low | 67.1 | Low | 114 Ų | 114 | 117.4 Ų | 117.4 | 43% | 0.432 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.4 | -25.1 | -178 | -65.8 | 54.1 | 0 | 0 | 0 | 112.7 | F5 F9 G14 | F5-W17 AromaticContact CD2-CH2 3.91Å; F5-W17 HydrophobicContact CD2-CH2 3.91Å; F5-W17 HydrophobicContact CD2-CZ3 4.28Å; F5-W17 HydrophobicContact CE1-CZ3 4.28Å; F5-W17 HydrophobicContact CE2-CE3 4.3Å; F5-W17 AromaticContact CE2-CH2 3.13Å; F5-W17 HydrophobicContact CE2-CH2 3.13Å; F5-W17 HydrophobicContact CE2-CZ2 4.35Å; F5-W17 AromaticContact CE2-CZ3 3.11Å; F5-W17 HydrophobicContact CE2-CZ3 3.11Å; F5-W17 AromaticContact CZ-CE3 3.92Å; F5-W17 HydrophobicContact CZ-CE3 3.92Å; F5-W17 AromaticContact CZ-CH2 3.54Å; F5-W17 HydrophobicContact CZ-CH2 3.54Å; F5-W17 AromaticContact CZ-CZ3 3.11Å; F5-W17 HydrophobicContact CZ-CZ3 3.11Å; F9-W17 HydrophobicContact CD2-CD2 4.11Å; F9-W17 HydrophobicContact CD2-CE3 4.42Å; F9-W17 HydrophobicContact CD2-CG 4.28Å; F9-W17 HydrophobicContact CE2-CB 4.25Å; F9-W17 HydrophobicContact CE2-CD2 4.43Å; F9-W17 HydrophobicContact CE2-CG 4.24Å; G14-W17 VanDerWaalsContact O-CB 3.3Å; G14-W17 WeakPolarHBondContact O-CB 3.17Å; G14-W17 PolarHBondContact O-N 3.02Å |
| 18 | T | 64 | Low | 66.1 | Low | 115 Ų | 115 | 122.7 Ų | 122.7 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -12.5 | 169.5 | 51.6 | 0 | 0 | 0 | 0 | 112.7 | K15 | K15-T18 PolarHBondContact O-OG1 3.42Š|
| 19 | H | 62.1 | Low | 64.8 | Low | 150 Ų | 150 | 123.6 Ų | 123.6 | 69% | 0.694 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | 33.6 | -179.4 | -63.4 | -61.5 | 0 | 0 | 0 | 112.6 | K15 H21 | K15-H19 PolarHBondContact O-CD2 2.91Å; H19-H21 PolarHBondContact O-N 2.86Å |
| 20 | G | 54.4 | Low | 63.8 | Low | 54 Ų | 54 | 126.1 Ų | 126.1 | 56% | 0.557 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -54.2 | 126.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | L22 | G20-L22 VanDerWaalsContact C-N 3.28Å; G20-L22 PolarHBondContact O-N 2.71Å |
| 21 | H | 56.1 | Low | 62.8 | Low | 185 Ų | 185 | 125.7 Ų | 125.7 | 86% | 0.856 | 65% | 0.648 | S | S | * | * | | | trans | -50.5 | 103.7 | 168.8 | -113.8 | 98.2 | 0 | 0 | 0 | 105.7 | H19 R23 | H19-H21 PolarHBondContact O-N 2.86Å; H21-R23 PolarHBondContact O-N 3.36Å |
| 22 | L | 58.6 | Low | 61.3 | Low | 138 Ų | 138 | 124.7 Ų | 124.7 | 72% | 0.723 | 65% | 0.65 | S | S | * | * | | | trans | -65.1 | 89.3 | 168.7 | -167.5 | 78.3 | 0 | 0 | 0 | 102.7 | G20 Q24 | G20-L22 VanDerWaalsContact C-N 3.28Å; G20-L22 PolarHBondContact O-N 2.71Å; L22-Q24 HydrophobicContact CD2-CG 3.66Å; L22-Q24 HydrophobicContact CG-CG 3.88Å; L22-Q24 PolarHBondContact O-N 2.95Å |
| 23 | R | 57.4 | Low | 60 | Low | 228 Ų | 228 | 130.2 Ų | 130.2 | 86% | 0.86 | 67% | 0.67 | S | S | * | * | | | trans | -65.5 | 72.6 | 168.4 | -83 | -174.3 | 167.9 | -177.1 | -3.2 | 105.7 | H21 T25 | H21-R23 PolarHBondContact O-N 3.36Å; R23-T25 PolarHBondContact O-N 3.38Å |
| 24 | Q | 59.7 | Low | 59.3 | Low | 157 Ų | 157 | 132.4 Ų | 132.4 | 73% | 0.734 | 69% | 0.685 | S | S | * | * | | | trans | -63.8 | 93 | 152.4 | -68.6 | -167.9 | -17.9 | 0 | 0 | 103.4 | L22 Q26 | L22-Q24 HydrophobicContact CD2-CG 3.66Å; L22-Q24 HydrophobicContact CG-CG 3.88Å; L22-Q24 PolarHBondContact O-N 2.95Å; Q24-Q26 PolarHBondContact O-N 3.42Å |
| 25 | T | 57 | Low | 58.3 | Low | 125 Ų | 125 | 137.5 Ų | 137.5 | 77% | 0.767 | 72% | 0.719 | S | S | * | * | | | trans | -58.2 | 104.1 | 164.5 | -50.4 | 0 | 0 | 0 | 0 | 104.1 | R23 P27 | R23-T25 PolarHBondContact O-N 3.38Å; T25-P27 VanDerWaalsContact O-CD 3.3Å; T25-P27 WeakPolarHBondContact O-CD 3.34Å; T25-P27 VanDerWaalsContact O-N 3.16Å |
| 26 | Q | 57.8 | Low | 57.5 | Low | 163 Ų | 163 | 135.7 Ų | 135.7 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | | | trans | -56.6 | 118.4 | 177.6 | -175.6 | 171.9 | 5.8 | 0 | 0 | 106.8 | Q24 E28 | Q24-Q26 PolarHBondContact O-N 3.42Å; Q26-E28 PolarHBondContact O-N 3.04Å |
| 27 | P | 60 | Low | 56.9 | Low | 116 Ų | 116 | 137.5 Ų | 137.5 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | | | trans | -64.4 | 123.9 | 168.6 | -4.1 | 17.4 | 0 | 0 | 0 | 106.8 | T25 | T25-P27 VanDerWaalsContact O-CD 3.3Å; T25-P27 WeakPolarHBondContact O-CD 3.34Å; T25-P27 VanDerWaalsContact O-N 3.16Å |
| 28 | E | 62.3 | Low | 56.2 | Low | 157 Ų | 157 | 140.4 Ų | 140.4 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | trans | -43.6 | 129.2 | 171.1 | -118.3 | -77.2 | 133.7 | 0 | 0 | 109.9 | Q26 T30 | Q26-E28 PolarHBondContact O-N 3.04Å; E28-T30 VanDerWaalsContact C-N 3.29Å; E28-T30 PolarHBondContact O-N 3.13Å |
| 29 | P | 49.3 | Very low | 55.6 | Low | 98 Ų | 98 | 143.5 Ų | 143.5 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | | | trans | -76.2 | 82.6 | -177 | 30.9 | -32.4 | 0 | 0 | 0 | 110.1 | Q31 | P29-Q31 VanDerWaalsContact C-N 3.33Å; P29-Q31 PolarHBondContact O-N 2.87Å |
| 30 | T | 60.7 | Low | 55.1 | Low | 120 Ų | 120 | 138.6 Ų | 138.6 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | | | trans | -73.3 | 93.8 | 159 | -56.9 | 0 | 0 | 0 | 0 | 107.1 | E28 P32 | E28-T30 VanDerWaalsContact C-N 3.29Å; E28-T30 PolarHBondContact O-N 3.13Å; T30-P32 WeakPolarHBondContact O-CD 3.3Å |
| 31 | Q | 57 | Low | 54.8 | Low | 166 Ų | 166 | 142.5 Ų | 142.5 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | -46.8 | 124.5 | 176.9 | -90 | -162.2 | -9.8 | 0 | 0 | 111.9 | P29 | P29-Q31 VanDerWaalsContact C-N 3.33Å; P29-Q31 PolarHBondContact O-N 2.87Å |
| 32 | P | 48.9 | Very low | 54.4 | Low | 114 Ų | 114 | 141.1 Ų | 141.1 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | | | trans | -97.9 | 119.9 | 150.8 | 9.7 | 11.7 | 0 | 0 | 0 | 108 | T30 A34 | T30-P32 WeakPolarHBondContact O-CD 3.3Å; P32-A34 PolarHBondContact O-N 3.35Å |
| 33 | K | 55.1 | Low | 53.9 | Low | 200 Ų | 200 | 140.6 Ų | 140.6 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -61.8 | 81.5 | 165.5 | -74.6 | 175.8 | 174.5 | 175.7 | 0 | 109.8 | | |
| 34 | A | 54.1 | Low | 53.3 | Low | 80 Ų | 80 | 131.9 Ų | 131.9 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | | | trans | 171.9 | 95.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | P32 | P32-A34 PolarHBondContact O-N 3.35Š|
| 35 | S | 49.2 | Very low | 52.8 | Low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -174 | 67.1 | 148.9 | -78.1 | 0 | 0 | 0 | 0 | 108.6 | L37 | S35-L37 PolarHBondContact O-N 2.87Š|
| 36 | V | 51.5 | Low | 52.4 | Low | 145 Ų | 145 | 131.5 Ų | 131.5 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | | | trans | -75.1 | 8.1 | 165.3 | 166.1 | 0 | 0 | 0 | 0 | 111 | | |
| 37 | L | 56.3 | Low | 52 | Low | 148 Ų | 148 | 136.3 Ų | 136.3 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | | | trans | -132.5 | 86.2 | -173 | -62.9 | 173.1 | 0 | 0 | 0 | 109.3 | S35 | S35-L37 PolarHBondContact O-N 2.87Š|
| 38 | L | 48.9 | Very low | 51.4 | Low | 174 Ų | 174 | 137.1 Ų | 137.1 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | | | trans | -174.1 | 71.7 | 144.7 | -96.9 | 161.8 | 0 | 0 | 0 | 107 | G40 | L38-G40 VanDerWaalsContact C-N 3.35Å; L38-G40 PolarHBondContact O-N 3.25Å |
| 39 | L | 52.1 | Low | 51 | Low | 180 Ų | 180 | 138 Ų | 138 | 94% | 0.942 | 78% | 0.776 | S | S | * | * | | | trans | -61.2 | 98.3 | 160.9 | 178.5 | 69.5 | 0 | 0 | 0 | 107.6 | | |
| 40 | G | 51.8 | Low | 51 | Low | 47 Ų | 47 | 139.9 Ų | 139.9 | 49% | 0.485 | 79% | 0.786 | S | S | . | * | | | trans | -114.5 | 147 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | L38 E42 | L38-G40 VanDerWaalsContact C-N 3.35Å; L38-G40 PolarHBondContact O-N 3.25Å; G40-E42 PolarHBondContact O-N 3.36Å |
| 41 | P | 46.9 | Very low | 50.9 | Low | 136 Ų | 136 | 142.3 Ų | 142.3 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -60.1 | 117.2 | 178 | 22.8 | -29.9 | 0 | 0 | 0 | 109.9 | | |
| 42 | E | 48.6 | Very low | 50.7 | Low | 156 Ų | 156 | 139.3 Ų | 139.3 | 73% | 0.729 | 78% | 0.784 | S | S | * | * | | | trans | -49.5 | 127.7 | 171.4 | -125.6 | -79.9 | 132 | 0 | 0 | 110.1 | G40 G44 | G40-E42 PolarHBondContact O-N 3.36Å; E42-G44 PolarHBondContact O-N 2.58Å; E42-G44 WeakPolarHBondContact OE2-CA 3.16Å; E42-G44 PolarHBondContact OE2-N 2.74Å; E42-G44 VanDerWaalsContact OE2-N 3.17Å |
| 43 | P | 47.1 | Very low | 51 | Low | 128 Ų | 128 | 139.6 Ų | 139.6 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | | | trans | -78.3 | 61.2 | 164 | 10.6 | 5.5 | 0 | 0 | 0 | 109.1 | M45 | P43-M45 PolarHBondContact O-N 3.48Š|
| 44 | G | 45.1 | Very low | 50.8 | Low | 44 Ų | 44 | 140 Ų | 140 | 45% | 0.454 | 79% | 0.787 | S | S | . | * | | | trans | -82.2 | 112.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | E42 | E42-G44 PolarHBondContact O-N 2.58Å; E42-G44 WeakPolarHBondContact OE2-CA 3.16Å; E42-G44 PolarHBondContact OE2-N 2.74Å; E42-G44 VanDerWaalsContact OE2-N 3.17Å |
| 45 | M | 49.9 | Very low | 50.6 | Low | 184 Ų | 184 | 144.5 Ų | 144.5 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | | | trans | 10.7 | 105.2 | 159.5 | -66.5 | -166.6 | -71.9 | 0 | 0 | 117.7 | P43 | P43-M45 PolarHBondContact O-N 3.48Š|
| 46 | A | 48.6 | Very low | 51.2 | Low | 90 Ų | 90 | 148.3 Ų | 148.3 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | | | trans | -147.4 | 63.7 | 153.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | D48 | A46-D48 PolarHBondContact O-N 3.34Š|
| 47 | W | 49.2 | Very low | 51.6 | Low | 265 Ų | 265 | 150.2 Ų | 150.2 | 100% | 1.004 | 80% | 0.798 | S | S | * | * | | | trans | -83.1 | 16.4 | 162.8 | -79.3 | 94.1 | 0 | 0 | 0 | 111.8 | | |
| 48 | D | 47.5 | Very low | 51.8 | Low | 132 Ų | 132 | 148.7 Ų | 148.7 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -98.5 | 106.3 | 179.4 | -141.6 | 19.3 | 0 | 0 | 0 | 109.9 | A46 | A46-D48 PolarHBondContact O-N 3.34Š|
| 49 | E | 53.8 | Low | 52.4 | Low | 176 Ų | 176 | 145.2 Ų | 145.2 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | | | trans | 37.9 | 86.7 | 150.3 | -61.3 | -175.3 | 160.6 | 0 | 0 | 118.6 | | |
| 50 | T | 49.2 | Very low | 52.7 | Low | 137 Ų | 137 | 143.8 Ų | 143.8 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | | | trans | -135 | 106.9 | 147.1 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 51 | Q | 58.7 | Low | 52.9 | Low | 171 Ų | 171 | 144.8 Ų | 144.8 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | trans | 8.1 | 137.7 | 157.3 | -76.3 | -80.2 | -56.8 | 0 | 0 | 118.3 | | |
| 52 | P | 52.5 | Low | 53.4 | Low | 103 Ų | 103 | 144.6 Ų | 144.6 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | | | trans | -60.5 | 139.2 | 167.3 | 28.4 | -31.6 | 0 | 0 | 0 | 109.2 | K54 | P52-K54 PolarHBondContact O-N 3.23Å; P52-K54 VanDerWaalsContact O-N 3.11Å |
| 53 | P | 54.2 | Low | 53.9 | Low | 121 Ų | 121 | 147.7 Ų | 147.7 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | trans | -59 | 122.6 | 179.7 | 20.3 | -29 | 0 | 0 | 0 | 109.3 | M55 | P53-M55 PolarHBondContact O-N 3.39Š|
| 54 | K | 52.2 | Low | 54.2 | Low | 208 Ų | 208 | 148.5 Ų | 148.5 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | | | trans | -31.2 | 103.2 | 170.6 | -171.6 | 178.8 | -178.3 | 176.1 | 0 | 110 | P52 K56 | P52-K54 PolarHBondContact O-N 3.23Å; P52-K54 VanDerWaalsContact O-N 3.11Å; K54-K56 PolarHBondContact O-N 3.12Å; K54-K56 VanDerWaalsContact O-N 3.12Å |
| 55 | M | 48.9 | Very low | 54.7 | Low | 174 Ų | 174 | 154.8 Ų | 154.8 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | | | trans | -62.5 | 118.7 | -175 | -140 | 149.4 | 141.7 | 0 | 0 | 107.8 | P53 E57 | P53-M55 PolarHBondContact O-N 3.39Å; M55-E57 PolarHBondContact O-N 2.72Å |
| 56 | K | 62.4 | Low | 54.7 | Low | 196 Ų | 196 | 152.4 Ų | 152.4 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | | | trans | -56 | 129.5 | -179.6 | -151 | 167 | -178.4 | 178.4 | 0 | 108.4 | K54 I58 | K54-K56 PolarHBondContact O-N 3.12Å; K54-K56 VanDerWaalsContact O-N 3.12Å; K56-I58 PolarHBondContact O-N 2.92Å |
| 57 | E | 59.6 | Low | 54.9 | Low | 185 Ų | 185 | 151 Ų | 151 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | -43.9 | 119.6 | -178.7 | -168 | 173.3 | -178.3 | 0 | 0 | 111.5 | M55 | M55-E57 PolarHBondContact O-N 2.72Š|
| 58 | I | 61.5 | Low | 55.4 | Low | 116 Ų | 116 | 144.3 Ų | 144.3 | 60% | 0.595 | 78% | 0.775 | S | S | * | * | | | trans | -71.6 | 126.3 | 177.5 | -57.5 | 166.8 | 0 | 0 | 0 | 106.7 | K56 V60 L62 | K56-I58 PolarHBondContact O-N 2.92Å; I58-V60 PolarHBondContact O-N 3.17Å; I58-L62 HydrophobicContact CG2-CB 4.33Å |
| 59 | P | 60.9 | Low | 55.5 | Low | 100 Ų | 100 | 144.4 Ų | 144.4 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | | | trans | -60.3 | 135.4 | 177.7 | 21.9 | -29.6 | 0 | 0 | 0 | 110.1 | G61 L62 | P59-G61 PolarHBondContact O-N 2.88Å; P59-L62 PolarHBondContact O-N 2.68Å |
| 60 | V | 57.7 | Low | 55.7 | Low | 150 Ų | 150 | 144.1 Ų | 144.1 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | 11.1 | -173.8 | 146.4 | 0 | 0 | 0 | 0 | 116.4 | I58 | I58-V60 PolarHBondContact O-N 3.17Š|
| 61 | G | 56.3 | Low | 55.6 | Low | 69 Ų | 69 | 146.5 Ų | 146.5 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | -12.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | P59 R63 | P59-G61 PolarHBondContact O-N 2.88Å; G61-R63 VanDerWaalsContact C-N 3.3Å; G61-R63 PolarHBondContact O-N 3.11Å |
| 62 | L | 57.7 | Low | 55.7 | Low | 131 Ų | 131 | 143.5 Ų | 143.5 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | | | trans | -87.7 | 64.3 | -175.4 | -107.3 | 163 | 0 | 0 | 0 | 112.2 | I58 P59 L64 | I58-L62 HydrophobicContact CG2-CB 4.33Å; P59-L62 PolarHBondContact O-N 2.68Å; L62-L64 VanDerWaalsContact C-N 3.33Å; L62-L64 PolarHBondContact O-N 2.9Å; L62-L64 VanDerWaalsContact O-N 3.17Å |
| 63 | R | 59 | Low | 56.1 | Low | 221 Ų | 221 | 146.3 Ų | 146.3 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | | | trans | -79.5 | 86.4 | 161.9 | -68.5 | -173.7 | -179.6 | 177.8 | 0.3 | 108.3 | G61 Q65 | G61-R63 VanDerWaalsContact C-N 3.3Å; G61-R63 PolarHBondContact O-N 3.11Å; R63-Q65 PolarHBondContact O-N 2.84Å; R63-Q65 VanDerWaalsContact O-N 3.14Å |
| 64 | L | 54.3 | Low | 56.1 | Low | 146 Ų | 146 | 146.4 Ų | 146.4 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | | | trans | -74.2 | 101.2 | 162.3 | -147.8 | 77.8 | 0 | 0 | 0 | 106.2 | L62 T66 | L62-L64 VanDerWaalsContact C-N 3.33Å; L62-L64 PolarHBondContact O-N 2.9Å; L62-L64 VanDerWaalsContact O-N 3.17Å; L64-T66 PolarHBondContact O-N 3.23Å |
| 65 | Q | 54.9 | Low | 56.2 | Low | 175 Ų | 175 | 142.1 Ų | 142.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -59.5 | 100.3 | 175.7 | -74.6 | -82.5 | 89.1 | 0 | 0 | 108.7 | R63 G67 | R63-Q65 PolarHBondContact O-N 2.84Å; R63-Q65 VanDerWaalsContact O-N 3.14Å; Q65-G67 VanDerWaalsContact C-N 3.25Å; Q65-G67 PolarHBondContact O-N 2.8Å |
| 66 | T | 49 | Very low | 56 | Low | 134 Ų | 134 | 142.6 Ų | 142.6 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | -72.5 | 87.6 | 167.8 | -42 | 0 | 0 | 0 | 0 | 107.4 | L64 T68 | L64-T66 PolarHBondContact O-N 3.23Å; T66-T68 PolarHBondContact O-N 3.33Å |
| 67 | G | 53 | Low | 55.6 | Low | 61 Ų | 61 | 138.8 Ų | 138.8 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | | | trans | -58.2 | 133.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q65 | Q65-G67 VanDerWaalsContact C-N 3.25Å; Q65-G67 PolarHBondContact O-N 2.8Å |
| 68 | T | 60.6 | Low | 55.5 | Low | 125 Ų | 125 | 136.7 Ų | 136.7 | 77% | 0.767 | 76% | 0.759 | S | S | * | * | | | trans | -51.8 | 127.5 | 175.6 | 47.6 | 0 | 0 | 0 | 0 | 111.1 | T66 Q70 | T66-T68 PolarHBondContact O-N 3.33Å; T68-Q70 VanDerWaalsContact C-N 3.29Å; T68-Q70 PolarHBondContact O-N 3.03Å |
| 69 | P | 49.7 | Very low | 55.4 | Low | 133 Ų | 133 | 136 Ų | 136 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | | | trans | -78.8 | 86.1 | 164.9 | 30 | -28.2 | 0 | 0 | 0 | 108.1 | | |
| 70 | Q | 56.8 | Low | 54.9 | Low | 171 Ų | 171 | 139.9 Ų | 139.9 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | | | trans | -90.6 | 109.1 | 162.4 | -179 | -173.9 | 28.2 | 0 | 0 | 107.1 | T68 | T68-Q70 VanDerWaalsContact C-N 3.29Å; T68-Q70 PolarHBondContact O-N 3.03Å |
| 71 | E | 48.7 | Very low | 54.8 | Low | 186 Ų | 186 | 142.5 Ų | 142.5 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | | | trans | -162.4 | 104.1 | 152.5 | -109.1 | 157.9 | -165.8 | 0 | 0 | 111.5 | | |
| 72 | S | 58.9 | Low | 54.2 | Low | 109 Ų | 109 | 147.8 Ų | 147.8 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | 30.5 | 122.7 | 149.7 | 48 | 0 | 0 | 0 | 0 | 122.6 | | |
| 73 | L | 61.9 | Low | 53.5 | Low | 161 Ų | 161 | 153.6 Ų | 153.6 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | | | trans | -64 | 136.8 | 160 | -69.1 | 162.2 | 0 | 0 | 0 | 111.2 | T75 | L73-T75 PolarHBondContact O-N 3.17Š|
| 74 | P | 53.5 | Low | 53.3 | Low | 123 Ų | 123 | 150.2 Ų | 150.2 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | trans | -80.5 | 103.2 | 160.1 | 29.7 | -28.5 | 0 | 0 | 0 | 109.3 | Y76 | P74-Y76 VanDerWaalsContact C-N 3.33Å; P74-Y76 PolarHBondContact O-N 2.93Å |
| 75 | T | 55.7 | Low | 53.2 | Low | 119 Ų | 119 | 150.4 Ų | 150.4 | 73% | 0.73 | 81% | 0.805 | S | S | * | * | | | trans | -60.1 | 91.3 | 162.1 | -58 | 0 | 0 | 0 | 0 | 109 | L73 T77 | L73-T75 PolarHBondContact O-N 3.17Å; T75-T77 WeakPolarHBondContact CG2-OG1 3.11Å; T75-T77 PolarHBondContact O-N 3.48Å; T75-T77 VanDerWaalsContact O-N 3.07Å |
| 76 | Y | 43.1 | Very low | 53.1 | Low | 183 Ų | 183 | 149.1 Ų | 149.1 | 72% | 0.718 | 81% | 0.805 | S | S | * | * | | | trans | -80.2 | 86.7 | 173.6 | -172.8 | -103.5 | 0 | 0 | 0 | 109.7 | P74 Q78 | P74-Y76 VanDerWaalsContact C-N 3.33Å; P74-Y76 PolarHBondContact O-N 2.93Å; Y76-Q78 HydrophobicContact CE1-CB 4.13Å; Y76-Q78 HydrophobicContact CE2-CB 3.91Å; Y76-Q78 PolarHBondContact OH-OE1 3.05Å |
| 77 | T | 54.5 | Low | 53.3 | Low | 116 Ų | 116 | 149.9 Ų | 149.9 | 71% | 0.712 | 80% | 0.804 | S | S | * | * | | | trans | -108.8 | 91.9 | 166.1 | -43.7 | 0 | 0 | 0 | 0 | 107.5 | T75 | T75-T77 WeakPolarHBondContact CG2-OG1 3.11Å; T75-T77 PolarHBondContact O-N 3.48Å; T75-T77 VanDerWaalsContact O-N 3.07Å |
| 78 | Q | 56.9 | Low | 53.4 | Low | 142 Ų | 142 | 155.5 Ų | 155.5 | 66% | 0.664 | 81% | 0.814 | S | S | * | * | | | trans | -112.8 | 102.9 | 170.6 | -158.5 | 168.4 | -6.8 | 0 | 0 | 108.8 | Y76 L80 | Y76-Q78 HydrophobicContact CE1-CB 4.13Å; Y76-Q78 HydrophobicContact CE2-CB 3.91Å; Y76-Q78 PolarHBondContact OH-OE1 3.05Å; Q78-L80 PolarHBondContact O-N 3.45Å |
| 79 | T | 59.2 | Low | 52.9 | Low | 102 Ų | 102 | 157.5 Ų | 157.5 | 63% | 0.626 | 82% | 0.818 | S | S | * | * | | | trans | -57.2 | 116.3 | 179.4 | -27.5 | 0 | 0 | 0 | 0 | 109.6 | R81 | T79-R81 PolarHBondContact O-N 3.05Š|
| 80 | L | 51.3 | Low | 53.1 | Low | 180 Ų | 180 | 159.3 Ų | 159.3 | 94% | 0.942 | 81% | 0.814 | S | S | * | * | | | trans | -65.6 | 97.9 | 167.3 | -93 | 164.8 | 0 | 0 | 0 | 108.3 | Q78 | Q78-L80 PolarHBondContact O-N 3.45Š|
| 81 | R | 55.1 | Low | 52.8 | Low | 206 Ų | 206 | 158.4 Ų | 158.4 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | | | trans | -102.6 | 115.5 | 163.5 | -102 | -169.4 | -73.6 | -116.1 | -0.4 | 108.8 | T79 | T79-R81 PolarHBondContact O-N 3.05Š|
| 82 | E | 44.8 | Very low | 53.2 | Low | 180 Ų | 180 | 156.1 Ų | 156.1 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | | | trans | 27.6 | 118.4 | 149.7 | -76.5 | 173.6 | 138.9 | 0 | 0 | 119.1 | | |
| 83 | L | 43 | Very low | 52.7 | Low | 252 Ų | 252 | 160.4 Ų | 160.4 | 100% | 1.319 | 82% | 0.816 | S | S | * | * | | | trans | -139.5 | 0 | 135.9 | -73.7 | -179.5 | 0 | 0 | 0 | 109.1 | | |