| 1 | M | 38.8 | Very low | 65.2 | Low | 239 Ų | 239 | 116 Ų | 116 | 100% | 1.177 | 61% | 0.61 | S | S | * | * | | | | 0 | 103.5 | 0 | -73.6 | 170.8 | 173.1 | 0 | 0 | 106.6 | M3 | M1-M3 PolarHBondContact O-N 3.05Š|
| 2 | E | 44.8 | Very low | 67.2 | Low | 194 Ų | 194 | 117.3 Ų | 117.3 | 91% | 0.907 | 61% | 0.608 | S | S | * | * | | | trans | -70.2 | 124.7 | 172.6 | -72.1 | 174.4 | 118.6 | 0 | 0 | 108.4 | Q4 | E2-Q4 PolarHBondContact O-N 2.96Š|
| 3 | M | 46.1 | Very low | 69 | Low | 169 Ų | 169 | 119.9 Ų | 119.9 | 83% | 0.833 | 61% | 0.605 | S | S | * | * | | | trans | -80.5 | 75.8 | 174.1 | -70.8 | -166.5 | 176.4 | 0 | 0 | 109.1 | M1 Q5 | M1-M3 PolarHBondContact O-N 3.05Å; M3-Q5 PolarHBondContact O-N 3.49Å |
| 4 | Q | 54.5 | Low | 70.4 | Confident | 137 Ų | 137 | 113.6 Ų | 113.6 | 64% | 0.64 | 57% | 0.572 | S | S | * | * | | | trans | -72.4 | 73.4 | 168.9 | -148.4 | -177.3 | -6.1 | 0 | 0 | 108.5 | E2 N6 S44 | E2-Q4 PolarHBondContact O-N 2.96Å; Q4-N6 VanDerWaalsContact C-N 3.34Å; Q4-N6 WeakPolarHBondContact CG-OD1 3.13Å; Q4-N6 PolarHBondContact O-N 3.42Å; Q4-N6 PolarHBondContact O-OD1 3.02Å; Q4-S44 PolarHBondContact NE2-OG 2.8Å |
| 5 | Q | 57.3 | Low | 71.4 | Confident | 124 Ų | 124 | 113.9 Ų | 113.9 | 58% | 0.579 | 58% | 0.582 | S | S | * | * | | | trans | -73.3 | 93 | 173.3 | -74.3 | -158.2 | -1.7 | 0 | 0 | 108.7 | M3 C7 | M3-Q5 PolarHBondContact O-N 3.49Å; Q5-C7 PolarHBondContact O-N 3.15Å |
| 6 | N | 61.6 | Low | 72.4 | Confident | 61 Ų | 61 | 111.1 Ų | 111.1 | 33% | 0.326 | 57% | 0.566 | S | S | . | * | | | trans | -74.6 | 75.3 | 173.9 | -59.8 | -11 | 0 | 0 | 0 | 109.1 | Q4 T46 | Q4-N6 VanDerWaalsContact C-N 3.34Å; Q4-N6 WeakPolarHBondContact CG-OD1 3.13Å; Q4-N6 PolarHBondContact O-N 3.42Å; Q4-N6 PolarHBondContact O-OD1 3.02Å; N6-T46 WeakPolarHBondContact ND2-CG2 3.32Å; N6-T46 PolarHBondContact ND2-OG1 3.36Å |
| 7 | C | 68.9 | Low | 72.9 | Confident | 38 Ų | 38 | 112.4 Ų | 112.4 | 26% | 0.257 | 58% | 0.583 | S | S | . | * | | | trans | -62.9 | 137.2 | 167.9 | -68.5 | 0 | 0 | 0 | 0 | 109.2 | Q5 I9 I26 Y28 | Q5-C7 PolarHBondContact O-N 3.15Å; C7-I9 PolarHBondContact O-N 3.25Å; C7-I26 WeakPolarHBondContact CB-O 3.15Å; C7-I26 PolarHBondContact SG-O 3.13Å; C7-Y28 WeakPolarHBondContact O-CB 3.07Å |
| 8 | S | 77.6 | Confident | 73.5 | Confident | 120 Ų | 120 | 114.7 Ų | 114.7 | 84% | 0.839 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -79.3 | -6 | 175.7 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 9 | I | 86.9 | Confident | 74.3 | Confident | 108 Ų | 108 | 110.1 Ų | 110.1 | 55% | 0.554 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -91.3 | 122.6 | -175.3 | -58 | 171.6 | 0 | 0 | 0 | 109 | C7 F27 Y28 | C7-I9 PolarHBondContact O-N 3.25Å; I9-F27 HydrophobicContact CB-CD1 4.2Å; I9-F27 HydrophobicContact CG2-CD1 4.07Å; I9-F27 HydrophobicContact CG2-CE1 4.33Å; I9-Y28 WeakPolarHBondContact O-CB 3.24Å; I9-Y28 PolarHBondContact O-N 2.83Å |
| 10 | S | 88.7 | Confident | 75.1 | Confident | 82 Ų | 82 | 105.2 Ų | 105.2 | 57% | 0.573 | 55% | 0.554 | S | S | * | * | B | Isolated β-bridge | trans | -61.4 | 142.8 | 176.7 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | F12 | S10-F12 PolarHBondContact O-N 2.71Å |
| 11 | C | 91.6 | Very high | 75.8 | Confident | 4 Ų | 4 | 105.2 Ų | 105.2 | 3% | 0.027 | 56% | 0.558 | C | S | . | * | P | Polyproline II helix | trans | -72.6 | 116.3 | 176.5 | -170.4 | 0 | 0 | 0 | 0 | 111 | W13 E14 C20 F27 Y28 H29 | C11-W13 PolarHBondContact O-N 3.11Å; C11-W13 VanDerWaalsContact O-N 3.1Å; C11-E14 HydrophobicContact CB-CB 4.38Å; C11-E14 WeakPolarHBondContact O-CB 3.43Å; C11-E14 PolarHBondContact O-N 2.97Å; C11-C20 VanDerWaalsContact SG-SG 3.65Å; C11-F27 HydrophobicContact CB-CB 3.68Å; C11-Y28 WeakPolarHBondContact CB-O 3.43Å; C11-Y28 PolarHBondContact N-O 2.9Å; C11-H29 WeakPolarHBondContact CB-CE1 2.99Å; C11-H29 PolarHBondContact SG-CE1 3.07Å |
| 12 | F | 89.6 | Confident | 78.2 | Confident | 132 Ų | 132 | 99.5 Ų | 99.5 | 58% | 0.579 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -51.8 | -33.2 | 174.2 | 175.9 | -97.7 | 0 | 0 | 0 | 113.9 | S10 E14 T15 Q16 | S10-F12 PolarHBondContact O-N 2.71Å; F12-E14 VanDerWaalsContact C-N 3.29Å; F12-E14 PolarHBondContact O-N 2.87Å; F12-T15 PolarHBondContact O-OG1 2.8Å; F12-T15 VanDerWaalsContact O-OG1 3.13Å; F12-Q16 HydrophobicContact CE1-CG 4.44Å |
| 13 | W | 91.3 | Very high | 80.2 | Confident | 151 Ų | 151 | 94.2 Ų | 94.2 | 57% | 0.572 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -77.8 | -8.8 | -179 | -63 | 100.3 | 0 | 0 | 0 | 114 | C11 T15 Q16 G19 C20 | C11-W13 PolarHBondContact O-N 3.11Å; C11-W13 VanDerWaalsContact O-N 3.1Å; W13-T15 VanDerWaalsContact C-N 3.34Å; W13-Q16 HydrophobicContact CE3-CB 4.23Å; W13-Q16 HydrophobicContact CE3-CG 3.75Å; W13-Q16 HydrophobicContact CZ3-CG 4.21Å; W13-Q16 PolarHBondContact O-N 2.83Å; W13-G19 CarbonylContact O-C 3.55Å; W13-G19 WeakPolarHBondContact O-CA 3.24Å; W13-C20 HydrophobicContact CB-CB 3.84Å; W13-C20 PolarHBondContact O-N 3.15Å |
| 14 | E | 88.6 | Confident | 82.1 | Confident | 32 Ų | 32 | 90.4 Ų | 90.4 | 15% | 0.15 | 49% | 0.494 | C | S | . | . | G | 310 helix | trans | -73 | -25.4 | 176.8 | -173 | 174.9 | 168.4 | 0 | 0 | 113.3 | C11 F12 Q16 H29 S30 K31 | C11-E14 HydrophobicContact CB-CB 4.38Å; C11-E14 WeakPolarHBondContact O-CB 3.43Å; C11-E14 PolarHBondContact O-N 2.97Å; F12-E14 VanDerWaalsContact C-N 3.29Å; F12-E14 PolarHBondContact O-N 2.87Å; E14-Q16 VanDerWaalsContact C-N 3.34Å; E14-H29 WeakPolarHBondContact OE2-CA 3.37Å; E14-H29 IonicContact OE2-CG 3.84Å; E14-H29 IonicContact OE2-ND1 3.08Å; E14-H29 PolarHBondContact OE2-ND1 3.18Å; E14-H29 VanDerWaalsContact OE2-ND1 3.08Å; E14-S30 WeakPolarHBondContact OE1-CA 3.33Å; E14-S30 WeakPolarHBondContact OE1-CB 3.47Å; E14-S30 PolarHBondContact OE1-N 2.98Å; E14-S30 PolarHBondContact OE1-OG 3.08Å; E14-S30 PolarHBondContact OE2-N 2.93Å; E14-S30 VanDerWaalsContact OE2-N 3.12Å; E14-K31 PolarHBondContact OE1-N 2.85Å |
| 15 | T | 84.3 | Confident | 83.7 | Confident | 118 Ų | 118 | 85 Ų | 85 | 72% | 0.724 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -87.4 | -3.9 | 175.7 | 58.2 | 0 | 0 | 0 | 0 | 113.3 | F12 W13 | F12-T15 PolarHBondContact O-OG1 2.8Å; F12-T15 VanDerWaalsContact O-OG1 3.13Å; W13-T15 VanDerWaalsContact C-N 3.34Å |
| 16 | Q | 88 | Confident | 85.2 | Confident | 68 Ų | 68 | 83.2 Ų | 83.2 | 32% | 0.318 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -85.7 | 149.4 | -179.8 | -61 | -60.6 | -29.9 | 0 | 0 | 110.8 | F12 W13 E14 L18 G19 | F12-Q16 HydrophobicContact CE1-CG 4.44Å; W13-Q16 HydrophobicContact CE3-CB 4.23Å; W13-Q16 HydrophobicContact CE3-CG 3.75Å; W13-Q16 HydrophobicContact CZ3-CG 4.21Å; W13-Q16 PolarHBondContact O-N 2.83Å; E14-Q16 VanDerWaalsContact C-N 3.34Å; Q16-L18 PolarHBondContact O-N 3.38Å; Q16-L18 VanDerWaalsContact O-N 3.13Å; Q16-G19 PolarHBondContact O-N 3.08Å |
| 17 | P | 81.1 | Confident | 86.5 | Confident | 133 Ų | 133 | 84.5 Ų | 84.5 | 86% | 0.864 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -23.3 | -176.5 | 24.1 | -34.7 | 0 | 0 | 0 | 114 | | |
| 18 | L | 83.4 | Confident | 87.5 | Confident | 155 Ų | 155 | 85.7 Ų | 85.7 | 81% | 0.812 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -8.9 | 174.6 | -62.7 | 176.4 | 0 | 0 | 0 | 113.7 | Q16 | Q16-L18 PolarHBondContact O-N 3.38Å; Q16-L18 VanDerWaalsContact O-N 3.13Å |
| 19 | G | 87.9 | Confident | 88 | Confident | 26 Ų | 26 | 80.1 Ų | 80.1 | 27% | 0.268 | 43% | 0.428 | S | S | . | . | | | trans | 62.6 | -173.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | W13 Q16 V21 | W13-G19 CarbonylContact O-C 3.55Å; W13-G19 WeakPolarHBondContact O-CA 3.24Å; Q16-G19 PolarHBondContact O-N 3.08Å; G19-V21 PolarHBondContact O-N 2.93Å |
| 20 | C | 91.1 | Very high | 88 | Confident | 12 Ų | 12 | 78.1 Ų | 78.1 | 8% | 0.081 | 42% | 0.423 | C | S | . | . | | | trans | -91.4 | 102.5 | 174.6 | -173 | 0 | 0 | 0 | 0 | 111.5 | C11 W13 K22 C25 H29 R33 I35 | C11-C20 VanDerWaalsContact SG-SG 3.65Å; W13-C20 HydrophobicContact CB-CB 3.84Å; W13-C20 PolarHBondContact O-N 3.15Å; C20-K22 VanDerWaalsContact C-N 3.28Å; C20-K22 PolarHBondContact O-N 3.06Å; C20-C25 VanDerWaalsContact SG-SG 3.69Å; C20-H29 WeakPolarHBondContact CB-CE1 3.37Å; C20-R33 PolarHBondContact O-NH1 3.48Å; C20-I35 WeakPolarHBondContact O-CD1 3.48Å |
| 21 | V | 90.4 | Very high | 88 | Confident | 106 Ų | 106 | 80.6 Ų | 80.6 | 64% | 0.642 | 42% | 0.424 | S | S | * | . | | | trans | -77.7 | -3.3 | 178.3 | -59.3 | 0 | 0 | 0 | 0 | 114.8 | G19 I23 | G19-V21 PolarHBondContact O-N 2.93Å; V21-I23 PolarHBondContact O-N 2.75Å |
| 22 | K | 89.1 | Confident | 87.8 | Confident | 119 Ų | 119 | 83.6 Ų | 83.6 | 52% | 0.517 | 44% | 0.443 | S | S | . | . | | | trans | -80.7 | 108 | 179.4 | -171.1 | 177.9 | -178.3 | -179 | 0 | 110 | C20 S24 C25 R33 | C20-K22 VanDerWaalsContact C-N 3.28Å; C20-K22 PolarHBondContact O-N 3.06Å; K22-S24 VanDerWaalsContact CE-O 3.27Å; K22-S24 WeakPolarHBondContact CE-O 3.45Å; K22-S24 PolarHBondContact O-N 3.07Å; K22-C25 HydrophobicContact CB-CB 4.35Å; K22-C25 WeakPolarHBondContact O-CB 3.42Å; K22-C25 PolarHBondContact O-N 2.83Å; K22-C25 VanDerWaalsContact O-N 3.12Å; K22-R33 PolarHBondContact O-NH1 2.59Å |
| 23 | I | 86.3 | Confident | 87.8 | Confident | 83 Ų | 83 | 78.8 Ų | 78.8 | 43% | 0.426 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -58.8 | -179.9 | -62.1 | 172.1 | 0 | 0 | 0 | 110.1 | V21 C25 R33 I35 L38 L40 | V21-I23 PolarHBondContact O-N 2.75Å; I23-C25 PolarHBondContact O-N 2.94Å; I23-R33 PolarHBondContact O-NH2 2.87Å; I23-I35 HydrophobicContact CD1-CG2 4.24Å; I23-I35 HydrophobicContact CG1-CB 4.17Å; I23-I35 HydrophobicContact CG1-CD1 4.08Å; I23-I35 HydrophobicContact CG1-CG2 3.74Å; I23-L38 HydrophobicContact CG2-CD2 3.96Å; I23-L40 HydrophobicContact CB-CD1 4.45Å; I23-L40 HydrophobicContact CG2-CD1 4.1Å; I23-L40 HydrophobicContact CG2-CD2 4.44Å |
| 24 | S | 85.9 | Confident | 87.6 | Confident | 89 Ų | 89 | 77 Ų | 77 | 62% | 0.622 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 54.2 | 172.8 | 52.2 | 0 | 0 | 0 | 0 | 112.8 | K22 I26 | K22-S24 VanDerWaalsContact CE-O 3.27Å; K22-S24 WeakPolarHBondContact CE-O 3.45Å; K22-S24 PolarHBondContact O-N 3.07Å; S24-I26 PolarHBondContact O-N 3.01Å |
| 25 | C | 88.8 | Confident | 87.6 | Confident | 25 Ų | 25 | 76.1 Ų | 76.1 | 17% | 0.169 | 42% | 0.419 | C | S | . | . | | | trans | -70.2 | 127.7 | 167.5 | -166.8 | 0 | 0 | 0 | 0 | 109.3 | C20 K22 I23 H29 | C20-C25 VanDerWaalsContact SG-SG 3.69Å; K22-C25 HydrophobicContact CB-CB 4.35Å; K22-C25 WeakPolarHBondContact O-CB 3.42Å; K22-C25 PolarHBondContact O-N 2.83Å; K22-C25 VanDerWaalsContact O-N 3.12Å; I23-C25 PolarHBondContact O-N 2.94Å; C25-H29 WeakPolarHBondContact CB-NE2 3.26Å; C25-H29 PolarHBondContact SG-NE2 3.38Å |
| 26 | I | 88.4 | Confident | 87.7 | Confident | 85 Ų | 85 | 78.2 Ų | 78.2 | 44% | 0.436 | 43% | 0.426 | S | S | . | . | | | trans | -82.8 | -15.2 | 176.9 | 60.8 | 172.5 | 0 | 0 | 0 | 112.7 | C7 S24 | C7-I26 WeakPolarHBondContact CB-O 3.15Å; C7-I26 PolarHBondContact SG-O 3.13Å; S24-I26 PolarHBondContact O-N 3.01Å |
| 27 | F | 88.5 | Confident | 87.6 | Confident | 88 Ų | 88 | 77.8 Ų | 77.8 | 39% | 0.386 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -83.9 | 153.4 | -177.6 | -62.9 | -76 | 0 | 0 | 0 | 111.4 | I9 C11 H29 | I9-F27 HydrophobicContact CB-CD1 4.2Å; I9-F27 HydrophobicContact CG2-CD1 4.07Å; I9-F27 HydrophobicContact CG2-CE1 4.33Å; C11-F27 HydrophobicContact CB-CB 3.68Å; F27-H29 PolarHBondContact O-CD2 3.11Å; F27-H29 PolarHBondContact O-N 3.03Å |
| 28 | Y | 89.2 | Confident | 87.9 | Confident | 63 Ų | 63 | 75.6 Ų | 75.6 | 25% | 0.247 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -60.6 | 134.4 | 178.7 | -178 | -92.8 | 0 | 0 | 0 | 111.3 | C7 I9 C11 S43 N45 | C7-Y28 WeakPolarHBondContact O-CB 3.07Å; I9-Y28 WeakPolarHBondContact O-CB 3.24Å; I9-Y28 PolarHBondContact O-N 2.83Å; C11-Y28 WeakPolarHBondContact CB-O 3.43Å; C11-Y28 PolarHBondContact N-O 2.9Å; Y28-S43 WeakPolarHBondContact CA-OG 3.44Å; Y28-S43 WeakPolarHBondContact CD2-OG 3.44Å; Y28-S43 WeakPolarHBondContact CE2-O 3.41Å; Y28-S43 WeakPolarHBondContact CE2-OG 3.44Å; Y28-N45 HydrophobicContact CE2-CB 4.05Å |
| 29 | H | 89.9 | Confident | 88.2 | Confident | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.019 | 41% | 0.409 | C | S | . | . | | | trans | -118.9 | 117.6 | 174.2 | -78.3 | -59.6 | 0 | 0 | 0 | 111.8 | C11 E14 C20 C25 F27 R33 P42 S43 | C11-H29 WeakPolarHBondContact CB-CE1 2.99Å; C11-H29 PolarHBondContact SG-CE1 3.07Å; E14-H29 WeakPolarHBondContact OE2-CA 3.37Å; E14-H29 IonicContact OE2-CG 3.84Å; E14-H29 IonicContact OE2-ND1 3.08Å; E14-H29 PolarHBondContact OE2-ND1 3.18Å; E14-H29 VanDerWaalsContact OE2-ND1 3.08Å; C20-H29 WeakPolarHBondContact CB-CE1 3.37Å; C25-H29 WeakPolarHBondContact CB-NE2 3.26Å; C25-H29 PolarHBondContact SG-NE2 3.38Å; F27-H29 PolarHBondContact O-CD2 3.11Å; F27-H29 PolarHBondContact O-N 3.03Å; H29-R33 VanDerWaalsContact CD2-CZ 3.43Å; H29-R33 PolarHBondContact CD2-NE 3.27Å; H29-R33 VanDerWaalsContact CD2-NE 3.31Å; H29-R33 PolarHBondContact NE2-NE 3.06Å; H29-P42 CarbonylContact O-C 3.57Å; H29-P42 WeakPolarHBondContact O-CA 3.2Å; H29-P42 WeakPolarHBondContact O-CB 3.09Å; H29-S43 PolarHBondContact N-OG 3.19Å; H29-S43 PolarHBondContact O-N 2.95Å; H29-S43 PolarHBondContact O-OG 2.85Å |
| 30 | S | 86.8 | Confident | 88.2 | Confident | 66 Ų | 66 | 74.7 Ų | 74.7 | 46% | 0.462 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -80.1 | -29 | 179.5 | 74.6 | 0 | 0 | 0 | 0 | 112.9 | E14 | E14-S30 WeakPolarHBondContact OE1-CA 3.33Å; E14-S30 WeakPolarHBondContact OE1-CB 3.47Å; E14-S30 PolarHBondContact OE1-N 2.98Å; E14-S30 PolarHBondContact OE1-OG 3.08Å; E14-S30 PolarHBondContact OE2-N 2.93Å; E14-S30 VanDerWaalsContact OE2-N 3.12Å |
| 31 | K | 87.1 | Confident | 88 | Confident | 133 Ų | 133 | 78.2 Ų | 78.2 | 58% | 0.578 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -108.5 | 148.6 | -179.1 | -65.4 | 168.1 | -173.9 | 175.4 | 0 | 111.1 | E14 | E14-K31 PolarHBondContact OE1-N 2.85Š|
| 32 | P | 87.9 | Confident | 87.9 | Confident | 67 Ų | 67 | 75.8 Ų | 75.8 | 44% | 0.435 | 41% | 0.413 | S | S | . | . | | | trans | -62.9 | 153.9 | 168.4 | 28.3 | -33.6 | 0 | 0 | 0 | 110.4 | F39 L40 | P32-F39 HydrophobicContact CB-CE1 4.38Å; P32-F39 HydrophobicContact CB-CE2 3.56Å; P32-F39 HydrophobicContact CB-CZ 3.47Å; P32-F39 VanDerWaalsContact CB-CZ 3.47Å; P32-F39 HydrophobicContact CG-CE2 4.24Å; P32-F39 HydrophobicContact CG-CZ 4.26Å; P32-L40 CarbonylContact C-O 3.02Å; P32-L40 VanDerWaalsContact CA-O 3.26Å; P32-L40 WeakPolarHBondContact CA-O 3.27Å |
| 33 | R | 89.9 | Confident | 87.6 | Confident | 31 Ų | 31 | 71.6 Ų | 71.6 | 12% | 0.117 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 137.9 | -179.6 | -59.4 | -179.2 | -66.9 | 139.1 | -1.4 | 109.6 | C20 K22 I23 H29 I35 L40 | C20-R33 PolarHBondContact O-NH1 3.48Å; K22-R33 PolarHBondContact O-NH1 2.59Å; I23-R33 PolarHBondContact O-NH2 2.87Å; H29-R33 VanDerWaalsContact CD2-CZ 3.43Å; H29-R33 PolarHBondContact CD2-NE 3.27Å; H29-R33 VanDerWaalsContact CD2-NE 3.31Å; H29-R33 PolarHBondContact NE2-NE 3.06Å; R33-I35 HydrophobicContact CB-CD1 4.48Å; R33-L40 HydrophobicContact CB-CB 4.46Å; R33-L40 PolarHBondContact N-O 3.05Å; R33-L40 PolarHBondContact O-N 2.79Å |
| 34 | N | 87.2 | Confident | 86.6 | Confident | 113 Ų | 113 | 70 Ų | 70 | 60% | 0.604 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 121.1 | 167.2 | -169.6 | -48.7 | 0 | 0 | 0 | 108.1 | G37 L38 | N34-G37 VanDerWaalsContact OD1-CA 3.27Å; N34-G37 WeakPolarHBondContact OD1-CA 3.36Å; N34-G37 PolarHBondContact OD1-N 2.99Å; N34-G37 VanDerWaalsContact OD1-N 3.1Å; N34-L38 WeakPolarHBondContact CA-O 3.37Å |
| 35 | I | 88.6 | Confident | 85.1 | Confident | 14 Ų | 14 | 71 Ų | 71 | 7% | 0.072 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 114.1 | -179.9 | -58.2 | 165.2 | 0 | 0 | 0 | 107.2 | C20 I23 R33 G37 L38 L40 | C20-I35 WeakPolarHBondContact O-CD1 3.48Å; I23-I35 HydrophobicContact CD1-CG2 4.24Å; I23-I35 HydrophobicContact CG1-CB 4.17Å; I23-I35 HydrophobicContact CG1-CD1 4.08Å; I23-I35 HydrophobicContact CG1-CG2 3.74Å; R33-I35 HydrophobicContact CB-CD1 4.48Å; I35-G37 PolarHBondContact O-N 3.45Å; I35-L38 PolarHBondContact N-O 2.94Å; I35-L38 VanDerWaalsContact O-CB 3.3Å; I35-L38 WeakPolarHBondContact O-CB 3.33Å; I35-L38 PolarHBondContact O-N 3.12Å; I35-L40 HydrophobicContact CD1-CD1 3.8Å |
| 36 | N | 86.3 | Confident | 82.8 | Confident | 162 Ų | 162 | 74.2 Ų | 74.2 | 87% | 0.866 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 36.8 | -178.6 | -54.6 | -13.9 | 0 | 0 | 0 | 113.3 | L38 | N36-L38 VanDerWaalsContact C-N 3.26Å; N36-L38 PolarHBondContact O-N 3.23Å |
| 37 | G | 86.7 | Confident | 80.5 | Confident | 60 Ų | 60 | 75.7 Ų | 75.7 | 62% | 0.619 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -13.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | N34 I35 F39 | N34-G37 VanDerWaalsContact OD1-CA 3.27Å; N34-G37 WeakPolarHBondContact OD1-CA 3.36Å; N34-G37 PolarHBondContact OD1-N 2.99Å; N34-G37 VanDerWaalsContact OD1-N 3.1Å; I35-G37 PolarHBondContact O-N 3.45Å; G37-F39 PolarHBondContact O-N 3.47Å |
| 38 | L | 87.3 | Confident | 78 | Confident | 87 Ų | 87 | 79 Ų | 79 | 46% | 0.455 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 114.7 | 174.8 | -176 | 64.3 | 0 | 0 | 0 | 110.1 | I23 N34 I35 N36 L40 | I23-L38 HydrophobicContact CG2-CD2 3.96Å; N34-L38 WeakPolarHBondContact CA-O 3.37Å; I35-L38 PolarHBondContact N-O 2.94Å; I35-L38 VanDerWaalsContact O-CB 3.3Å; I35-L38 WeakPolarHBondContact O-CB 3.33Å; I35-L38 PolarHBondContact O-N 3.12Å; N36-L38 VanDerWaalsContact C-N 3.26Å; N36-L38 PolarHBondContact O-N 3.23Å; L38-L40 HydrophobicContact CD2-CD2 3.83Å; L38-L40 HydrophobicContact CG-CD2 3.95Å; L38-L40 HydrophobicContact CG-CG 4.44Å |
| 39 | F | 89.3 | Confident | 75.4 | Confident | 131 Ų | 131 | 84.4 Ų | 84.4 | 58% | 0.575 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 120.5 | 170.4 | -176.8 | -93.8 | 0 | 0 | 0 | 110.3 | P32 G37 | P32-F39 HydrophobicContact CB-CE1 4.38Å; P32-F39 HydrophobicContact CB-CE2 3.56Å; P32-F39 HydrophobicContact CB-CZ 3.47Å; P32-F39 VanDerWaalsContact CB-CZ 3.47Å; P32-F39 HydrophobicContact CG-CE2 4.24Å; P32-F39 HydrophobicContact CG-CZ 4.26Å; G37-F39 PolarHBondContact O-N 3.47Å |
| 40 | L | 87.6 | Confident | 72.9 | Confident | 30 Ų | 30 | 92.8 Ų | 92.8 | 16% | 0.157 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 123.7 | 172.2 | -58.8 | 177.9 | 0 | 0 | 0 | 108.5 | I23 P32 R33 I35 L38 | I23-L40 HydrophobicContact CB-CD1 4.45Å; I23-L40 HydrophobicContact CG2-CD1 4.1Å; I23-L40 HydrophobicContact CG2-CD2 4.44Å; P32-L40 CarbonylContact C-O 3.02Å; P32-L40 VanDerWaalsContact CA-O 3.26Å; P32-L40 WeakPolarHBondContact CA-O 3.27Å; R33-L40 HydrophobicContact CB-CB 4.46Å; R33-L40 PolarHBondContact N-O 3.05Å; R33-L40 PolarHBondContact O-N 2.79Å; I35-L40 HydrophobicContact CD1-CD1 3.8Å; L38-L40 HydrophobicContact CD2-CD2 3.83Å; L38-L40 HydrophobicContact CG-CD2 3.95Å; L38-L40 HydrophobicContact CG-CG 4.44Å |
| 41 | P | 86.3 | Confident | 70.4 | Confident | 86 Ų | 86 | 98.6 Ų | 98.6 | 56% | 0.558 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -65 | 165.4 | 174.9 | 29.2 | -35.1 | 0 | 0 | 0 | 111.1 | | |
| 42 | P | 88.4 | Confident | 67.9 | Low | 55 Ų | 55 | 96.7 Ų | 96.7 | 36% | 0.357 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -50.6 | 146.2 | 163.6 | -22.3 | 33.4 | 0 | 0 | 0 | 110.3 | H29 S44 | H29-P42 CarbonylContact O-C 3.57Å; H29-P42 WeakPolarHBondContact O-CA 3.2Å; H29-P42 WeakPolarHBondContact O-CB 3.09Å; P42-S44 PolarHBondContact O-N 2.91Å |
| 43 | S | 82.8 | Confident | 65.3 | Low | 31 Ų | 31 | 101.7 Ų | 101.7 | 22% | 0.217 | 55% | 0.551 | C | S | . | * | P | Polyproline II helix | trans | -66.6 | 120.7 | 168.2 | 58.2 | 0 | 0 | 0 | 0 | 107.6 | Y28 H29 N45 | Y28-S43 WeakPolarHBondContact CA-OG 3.44Å; Y28-S43 WeakPolarHBondContact CD2-OG 3.44Å; Y28-S43 WeakPolarHBondContact CE2-O 3.41Å; Y28-S43 WeakPolarHBondContact CE2-OG 3.44Å; H29-S43 PolarHBondContact N-OG 3.19Å; H29-S43 PolarHBondContact O-N 2.95Å; H29-S43 PolarHBondContact O-OG 2.85Å; S43-N45 PolarHBondContact O-N 3Å; S43-N45 VanDerWaalsContact O-N 3.11Å |
| 44 | S | 65 | Low | 62.7 | Low | 49 Ų | 49 | 109.6 Ų | 109.6 | 34% | 0.343 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -54 | 121 | 178.4 | 48.6 | 0 | 0 | 0 | 0 | 110.2 | Q4 P42 T46 | Q4-S44 PolarHBondContact NE2-OG 2.8Å; P42-S44 PolarHBondContact O-N 2.91Å; S44-T46 PolarHBondContact O-N 2.83Å |
| 45 | N | 54.7 | Low | 59.8 | Low | 112 Ų | 112 | 108 Ų | 108 | 60% | 0.599 | 60% | 0.599 | S | S | * | * | | | trans | -65.2 | 88.8 | 159 | 57.8 | -33 | 0 | 0 | 0 | 107.3 | Y28 S43 T47 | Y28-N45 HydrophobicContact CE2-CB 4.05Å; S43-N45 PolarHBondContact O-N 3Å; S43-N45 VanDerWaalsContact O-N 3.11Å; N45-T47 PolarHBondContact O-N 3.17Å |
| 46 | T | 42.1 | Very low | 56.9 | Low | 91 Ų | 91 | 113.1 Ų | 113.1 | 56% | 0.558 | 64% | 0.637 | S | S | * | * | | | trans | -64.2 | 87.2 | 160.5 | 46 | 0 | 0 | 0 | 0 | 106.9 | N6 S44 L48 | N6-T46 WeakPolarHBondContact ND2-CG2 3.32Å; N6-T46 PolarHBondContact ND2-OG1 3.36Å; S44-T46 PolarHBondContact O-N 2.83Å; T46-L48 PolarHBondContact O-N 2.97Å |
| 47 | T | 38.3 | Very low | 55.1 | Low | 116 Ų | 116 | 111.5 Ų | 111.5 | 71% | 0.712 | 64% | 0.635 | S | S | * | * | | | trans | -46.6 | 117.7 | 154.7 | 22.4 | 0 | 0 | 0 | 0 | 105.7 | N45 Q49 | N45-T47 PolarHBondContact O-N 3.17Å; T47-Q49 PolarHBondContact O-N 3.44Å |
| 48 | L | 37.3 | Very low | 52.4 | Low | 159 Ų | 159 | 114 Ų | 114 | 83% | 0.832 | 64% | 0.643 | S | S | * | * | | | trans | -44.4 | 101 | 175.6 | -171.8 | 83.2 | 0 | 0 | 0 | 108.4 | T46 K50 | T46-L48 PolarHBondContact O-N 2.97Å; L48-K50 VanDerWaalsContact C-N 3.28Å; L48-K50 PolarHBondContact O-N 3.48Å |
| 49 | Q | 33.4 | Very low | 50.3 | Low | 176 Ų | 176 | 115.5 Ų | 115.5 | 82% | 0.822 | 66% | 0.658 | S | S | * | * | | | trans | -63 | 100.7 | 169.3 | -90.7 | -75.3 | 9.9 | 0 | 0 | 105.2 | T47 E51 | T47-Q49 PolarHBondContact O-N 3.44Å; Q49-E51 PolarHBondContact O-N 3.25Å |
| 50 | K | 38.3 | Very low | 47.2 | Very low | 180 Ų | 180 | 114.6 Ų | 114.6 | 78% | 0.783 | 66% | 0.663 | S | S | * | * | | | trans | -74.5 | 74.4 | 178.1 | -175.1 | -172.7 | 172.8 | -173.2 | 0 | 107.3 | L48 S52 | L48-K50 VanDerWaalsContact C-N 3.28Å; L48-K50 PolarHBondContact O-N 3.48Å; K50-S52 VanDerWaalsContact C-N 3.27Å; K50-S52 PolarHBondContact O-N 3.15Å |
| 51 | E | 35.1 | Very low | 44.6 | Very low | 187 Ų | 187 | 122 Ų | 122 | 87% | 0.874 | 70% | 0.697 | S | S | * | * | | | trans | -69.2 | 86.7 | 172.6 | -172.4 | 178.7 | 176 | 0 | 0 | 108.9 | Q49 | Q49-E51 PolarHBondContact O-N 3.25Š|
| 52 | S | 34.2 | Very low | 42 | Very low | 93 Ų | 93 | 122.9 Ų | 122.9 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | | | trans | -159 | 126.2 | 154.5 | -147.5 | 0 | 0 | 0 | 0 | 112.1 | K50 | K50-S52 VanDerWaalsContact C-N 3.27Å; K50-S52 PolarHBondContact O-N 3.15Å |
| 53 | Q | 33.1 | Very low | 39.6 | Very low | 173 Ų | 173 | 129.8 Ų | 129.8 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | | | trans | 75.6 | 78.2 | 166 | -51 | -140.8 | -65.5 | 0 | 0 | 118.1 | | |
| 54 | E | 34.6 | Very low | 37.1 | Very low | 197 Ų | 197 | 136.6 Ų | 136.6 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | | | | 40.2 | 103.3 | 103.3 | -163.7 | 169.8 | -174.7 | 0 | 0 | 117.6 | | |
| 55 | G | 26.8 | Very low | 36 | Very low | 78 Ų | 78 | 139.3 Ų | 139.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -160 | 118.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 56 | S | 27.6 | Very low | 35.2 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -81.2 | 166.1 | -165.9 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 57 | P | 47.7 | Very low | 35 | Very low | 127 Ų | 127 | 145 Ų | 145 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | -98.1 | 168.2 | -150.7 | 38.3 | -37.5 | 0 | 0 | 0 | 115.1 | | |
| 58 | S | 30.5 | Very low | 34.8 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | -142.1 | 145 | 150.3 | 62.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 59 | P | 42.4 | Very low | 34.9 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | | | trans | -94.9 | 167.1 | -173.6 | 38.6 | -36.4 | 0 | 0 | 0 | 112.5 | | |
| 60 | T | 25.8 | Very low | 35.3 | Very low | 113 Ų | 113 | 145.5 Ų | 145.5 | 69% | 0.693 | 80% | 0.8 | S | S | * | * | | | trans | 163.6 | 135.6 | 131.7 | -73.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 61 | Q | 32.8 | Very low | 35.6 | Very low | 186 Ų | 186 | 142 Ų | 142 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | | | trans | 59.4 | 144.4 | 166.3 | -76.3 | 165.8 | -40.6 | 0 | 0 | 118.1 | | |
| 62 | S | 31.4 | Very low | 35.8 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | cis | -139.4 | 147.8 | 4.4 | 44 | 0 | 0 | 0 | 0 | 111.3 | | |
| 63 | Q | 38.3 | Very low | 36.6 | Very low | 200 Ų | 200 | 139.8 Ų | 139.8 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | | | trans | -72.3 | 127.3 | 156.2 | -70.5 | 177.6 | -81.3 | 0 | 0 | 108 | | |
| 64 | E | 29.7 | Very low | 37.6 | Very low | 173 Ų | 173 | 142 Ų | 142 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | | | trans | -136.3 | 120.4 | 148.9 | -163.6 | 166.5 | 167.8 | 0 | 0 | 108.8 | | |
| 65 | S | 41.8 | Very low | 38.4 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | -99.1 | 104.4 | -167.2 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 66 | L | 37.2 | Very low | 39.6 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 73% | 0.728 | 79% | 0.788 | S | S | * | * | | | trans | -138.4 | 101.5 | 168.2 | -72.2 | 178.3 | 0 | 0 | 0 | 112.4 | | |
| 67 | K | 38.1 | Very low | 40.9 | Very low | 182 Ų | 182 | 144 Ų | 144 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | 43.1 | 134 | 143.9 | -58.7 | 174.6 | -177.7 | 175.9 | 0 | 119.7 | M69 | K67-M69 PolarHBondContact O-N 3.42Å; K67-M69 VanDerWaalsContact O-N 3.15Å |
| 68 | P | 34.8 | Very low | 41.1 | Very low | 123 Ų | 123 | 145.8 Ų | 145.8 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | trans | -64.5 | 118.1 | 165.5 | 29.3 | -32.5 | 0 | 0 | 0 | 109.3 | E70 | P68-E70 PolarHBondContact O-N 3.23Š|
| 69 | M | 38.7 | Very low | 42.3 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | -82 | 101.6 | 176.2 | -163.6 | 177.8 | 157.2 | 0 | 0 | 108.9 | K67 N71 | K67-M69 PolarHBondContact O-N 3.42Å; K67-M69 VanDerWaalsContact O-N 3.15Å; M69-N71 WeakPolarHBondContact CB-OD1 3.5Å; M69-N71 HydrophobicContact CE-CB 4.12Å; M69-N71 WeakPolarHBondContact CG-OD1 3.43Å; M69-N71 PolarHBondContact O-N 3.32Å; M69-N71 PolarHBondContact O-OD1 3.02Å; M69-N71 PolarHBondContact SD-OD1 3.38Å; M69-N71 VanDerWaalsContact SD-OD1 3.42Å |
| 70 | E | 41.9 | Very low | 42.7 | Very low | 182 Ų | 182 | 147 Ų | 147 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | | | trans | -73.2 | 64.7 | 172.4 | -67.9 | -173.3 | 148.9 | 0 | 0 | 111.2 | P68 V72 | P68-E70 PolarHBondContact O-N 3.23Å; E70-V72 PolarHBondContact O-N 2.92Å |
| 71 | N | 45.1 | Very low | 44.2 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 57% | 0.572 | 78% | 0.775 | S | S | * | * | | | trans | -80.9 | 60.4 | 167.8 | 41.2 | -97.4 | 0 | 0 | 0 | 111.1 | M69 S73 | M69-N71 WeakPolarHBondContact CB-OD1 3.5Å; M69-N71 HydrophobicContact CE-CB 4.12Å; M69-N71 WeakPolarHBondContact CG-OD1 3.43Å; M69-N71 PolarHBondContact O-N 3.32Å; M69-N71 PolarHBondContact O-OD1 3.02Å; M69-N71 PolarHBondContact SD-OD1 3.38Å; M69-N71 VanDerWaalsContact SD-OD1 3.42Å; N71-S73 PolarHBondContact O-N 2.98Å |
| 72 | V | 40 | Very low | 45 | Very low | 121 Ų | 121 | 145.8 Ų | 145.8 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | | | trans | -80.4 | 102.4 | 151.5 | -174.4 | 0 | 0 | 0 | 0 | 106.2 | E70 R74 | E70-V72 PolarHBondContact O-N 2.92Å; V72-R74 PolarHBondContact O-N 3.07Å |
| 73 | S | 50.9 | Low | 45.9 | Very low | 113 Ų | 113 | 149.4 Ų | 149.4 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | -57.9 | 106.7 | 173.5 | -60 | 0 | 0 | 0 | 0 | 109.2 | N71 | N71-S73 PolarHBondContact O-N 2.98Š|
| 74 | R | 53.9 | Low | 46.4 | Very low | 220 Ų | 220 | 145.4 Ų | 145.4 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | | | trans | -58.7 | 137.4 | 173 | -64.6 | -176.2 | 179 | -149.1 | -1.6 | 108.4 | V72 I76 | V72-R74 PolarHBondContact O-N 3.07Å; R74-I76 PolarHBondContact O-N 3.1Å |
| 75 | P | 50.8 | Low | 47.1 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | | | trans | -57.4 | 113.9 | 174.3 | -24.4 | 34.2 | 0 | 0 | 0 | 110.2 | H77 | P75-H77 PolarHBondContact O-N 2.83Š|
| 76 | I | 52.3 | Low | 47.4 | Very low | 170 Ų | 170 | 148.4 Ų | 148.4 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | | | trans | -79.7 | 73.9 | 170.9 | -52.5 | 176.9 | 0 | 0 | 0 | 107.1 | R74 | R74-I76 PolarHBondContact O-N 3.1Š|
| 77 | H | 54.5 | Low | 47.9 | Very low | 148 Ų | 148 | 150 Ų | 150 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | | | trans | -146 | 127.1 | 164.7 | -134.8 | -81.5 | 0 | 0 | 0 | 108.5 | P75 | P75-H77 PolarHBondContact O-N 2.83Š|
| 78 | H | 52 | Low | 48.3 | Very low | 163 Ų | 163 | 150.1 Ų | 150.1 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | -63.3 | 135.4 | 171.6 | -69.6 | -94.5 | 0 | 0 | 0 | 108.5 | L80 | H78-L80 PolarHBondContact O-N 2.84Å; H78-L80 VanDerWaalsContact O-N 3.08Å |
| 79 | P | 55.1 | Low | 48.9 | Very low | 116 Ų | 116 | 152.7 Ų | 152.7 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | trans | -64.8 | 113.1 | 175.4 | 26.2 | -32.5 | 0 | 0 | 0 | 108.7 | V81 | P79-V81 PolarHBondContact O-N 3.29Š|
| 80 | L | 51.7 | Low | 49.6 | Very low | 141 Ų | 141 | 154.1 Ų | 154.1 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | trans | -73.5 | 97.9 | 174 | -64.9 | 177.8 | 0 | 0 | 0 | 108.3 | H78 L82 | H78-L80 PolarHBondContact O-N 2.84Å; H78-L80 VanDerWaalsContact O-N 3.08Å; L80-L82 PolarHBondContact O-N 3.47Å |
| 81 | V | 56.9 | Low | 49.9 | Very low | 121 Ų | 121 | 154.5 Ų | 154.5 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | | | trans | -71.5 | 96 | 170.9 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | P79 K83 | P79-V81 PolarHBondContact O-N 3.29Å; V81-K83 PolarHBondContact O-N 3.42Å |
| 82 | L | 50.7 | Low | 49.9 | Very low | 153 Ų | 153 | 158.4 Ų | 158.4 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | | | trans | -66.7 | 103.5 | 166.4 | -66.5 | 176.2 | 0 | 0 | 0 | 107.8 | L80 T84 | L80-L82 PolarHBondContact O-N 3.47Å; L82-T84 PolarHBondContact O-N 3.37Å |
| 83 | K | 50.1 | Low | 50.3 | Low | 179 Ų | 179 | 162 Ų | 162 | 78% | 0.778 | 81% | 0.807 | S | S | * | * | | | trans | -70.2 | 97.2 | 166.2 | -69.3 | -174.1 | 177.9 | -174.3 | 0 | 107.8 | V81 N85 | V81-K83 PolarHBondContact O-N 3.42Å; K83-N85 PolarHBondContact O-N 3.08Å |
| 84 | T | 47.5 | Very low | 49.9 | Very low | 117 Ų | 117 | 165.3 Ų | 165.3 | 72% | 0.718 | 81% | 0.81 | S | S | * | * | | | trans | -69.6 | 103.5 | 161.2 | 50.4 | 0 | 0 | 0 | 0 | 107.4 | L82 F86 | L82-T84 PolarHBondContact O-N 3.37Å; T84-F86 VanDerWaalsContact C-N 3.26Å; T84-F86 PolarHBondContact O-N 3.31Å |
| 85 | N | 46 | Very low | 49.6 | Very low | 151 Ų | 151 | 161.9 Ų | 161.9 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | | | trans | -69.2 | 94.8 | 161.1 | -60 | -9.5 | 0 | 0 | 0 | 105.5 | K83 | K83-N85 PolarHBondContact O-N 3.08Š|
| 86 | F | 47.1 | Very low | 49.3 | Very low | 192 Ų | 192 | 161.9 Ų | 161.9 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | | | trans | -84.3 | 110.9 | 164 | -130.8 | -89.3 | 0 | 0 | 0 | 105.7 | T84 | T84-F86 VanDerWaalsContact C-N 3.26Å; T84-F86 PolarHBondContact O-N 3.31Å |
| 87 | E | 48.2 | Very low | 49 | Very low | 171 Ų | 171 | 159.9 Ų | 159.9 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | | | trans | -70.3 | 128.7 | 172.1 | -154.7 | 147.6 | -155.3 | 0 | 0 | 106.7 | E89 | E87-E89 VanDerWaalsContact C-N 3.3Å; E87-E89 PolarHBondContact O-N 2.88Å |
| 88 | E | 45.7 | Very low | 48.6 | Very low | 185 Ų | 185 | 159.2 Ų | 159.2 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | | | trans | -82.5 | 78.4 | -175.3 | -173.7 | 169.1 | -146.6 | 0 | 0 | 108.5 | E90 | E88-E90 PolarHBondContact O-N 3.24Š|
| 89 | E | 47.5 | Very low | 47.8 | Very low | 177 Ų | 177 | 156.4 Ų | 156.4 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | | | trans | -82.2 | 96.7 | 165.4 | -72.4 | -172.7 | 147.3 | 0 | 0 | 108.5 | E87 E91 | E87-E89 VanDerWaalsContact C-N 3.3Å; E87-E89 PolarHBondContact O-N 2.88Å; E89-E91 PolarHBondContact O-N 3.49Å |
| 90 | E | 52.8 | Low | 47.5 | Very low | 188 Ų | 188 | 156.3 Ų | 156.3 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | | | trans | -57.9 | 118 | 154 | -69.8 | -177.7 | 125.8 | 0 | 0 | 108 | E88 | E88-E90 PolarHBondContact O-N 3.24Š|
| 91 | E | 49 | Very low | 47.3 | Very low | 189 Ų | 189 | 154.4 Ų | 154.4 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -137.6 | 151.4 | 161.6 | -134.3 | 177.9 | -156.2 | 0 | 0 | 110.4 | E89 | E89-E91 PolarHBondContact O-N 3.49Š|
| 92 | E | 46.2 | Very low | 46.8 | Very low | 189 Ų | 189 | 156 Ų | 156 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | -81 | 166.2 | -143.2 | -65.5 | 177.5 | 124.6 | 0 | 0 | 116 | E94 | E92-E94 PolarHBondContact O-N 3.25Å; E92-E94 VanDerWaalsContact O-N 3.17Å |
| 93 | E | 47.7 | Very low | 46.8 | Very low | 197 Ų | 197 | 159 Ų | 159 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | | | trans | -46.6 | 105.5 | 164.7 | 179.1 | -178.6 | -166.6 | 0 | 0 | 113.5 | | |
| 94 | E | 42 | Very low | 47 | Very low | 183 Ų | 183 | 157.1 Ų | 157.1 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | | | trans | -142.6 | 125.9 | 148.7 | -160.7 | 172.1 | -165 | 0 | 0 | 111.6 | E92 P96 | E92-E94 PolarHBondContact O-N 3.25Å; E92-E94 VanDerWaalsContact O-N 3.17Å; E94-P96 WeakPolarHBondContact O-CD 3.2Å |
| 95 | E | 47.1 | Very low | 48.3 | Very low | 147 Ų | 147 | 155.4 Ų | 155.4 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | | | trans | -87.5 | 113.3 | 175.6 | -179.9 | -162.2 | 155.2 | 0 | 0 | 110.7 | N97 | E95-N97 PolarHBondContact O-N 2.75Å; E95-N97 WeakPolarHBondContact OE1-CB 3.27Å; E95-N97 PolarHBondContact OE1-ND2 3.37Å |
| 96 | P | 45.8 | Very low | 49.8 | Very low | 123 Ų | 123 | 151.4 Ų | 151.4 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | | | trans | -90.6 | 96.7 | 155.3 | 32 | -31 | 0 | 0 | 0 | 109.5 | E94 | E94-P96 WeakPolarHBondContact O-CD 3.2Š|
| 97 | N | 46.3 | Very low | 51.5 | Low | 127 Ų | 127 | 146.9 Ų | 146.9 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | | | trans | -58.4 | 162.9 | 165 | -152.9 | -62.5 | 0 | 0 | 0 | 110.8 | E95 | E95-N97 PolarHBondContact O-N 2.75Å; E95-N97 WeakPolarHBondContact OE1-CB 3.27Å; E95-N97 PolarHBondContact OE1-ND2 3.37Å |
| 98 | D | 45.8 | Very low | 53.1 | Low | 134 Ų | 134 | 145.5 Ų | 145.5 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | | | trans | 74.3 | 64.1 | 168.2 | -149.7 | 15.7 | 0 | 0 | 0 | 119.2 | | |
| 99 | A | 33.9 | Very low | 54.9 | Low | 105 Ų | 105 | 140 Ų | 140 | 87% | 0.868 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -142.5 | 8.4 | 152.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 100 | S | 49.4 | Very low | 56.9 | Low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | | | trans | -109.9 | 31.7 | -177 | -172.7 | 0 | 0 | 0 | 0 | 114 | | |
| 101 | S | 48.3 | Very low | 58.8 | Low | 101 Ų | 101 | 131.7 Ų | 131.7 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | | | trans | -105.3 | 58.7 | -177.8 | -162.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 102 | L | 46.8 | Very low | 60.5 | Low | 155 Ų | 155 | 128.5 Ų | 128.5 | 81% | 0.812 | 68% | 0.679 | S | S | * | * | | | trans | -155.6 | 29.1 | 169.6 | -131.3 | 148.2 | 0 | 0 | 0 | 115.4 | | |
| 103 | W | 50 | Low | 62.6 | Low | 214 Ų | 214 | 124 Ų | 124 | 81% | 0.811 | 66% | 0.657 | S | S | * | * | | | trans | -124.1 | 66.1 | 170.8 | -71.2 | 63.7 | 0 | 0 | 0 | 109.7 | K105 | W103-K105 PolarHBondContact O-N 2.98Š|
| 104 | T | 54.5 | Low | 64.7 | Low | 140 Ų | 140 | 122.9 Ų | 122.9 | 86% | 0.859 | 64% | 0.644 | S | S | * | * | | | trans | -71.2 | 79.8 | 175.1 | -39.1 | 0 | 0 | 0 | 0 | 109.7 | T106 | T104-T106 PolarHBondContact O-N 3.38Š|
| 105 | K | 75.2 | Confident | 67.1 | Low | 82 Ų | 82 | 116.4 Ų | 116.4 | 36% | 0.357 | 62% | 0.622 | S | S | . | * | | | trans | -56.9 | 126.7 | -179.5 | -61.4 | -166.4 | 165.4 | -134.3 | 0 | 110.1 | W103 E109 I110 | W103-K105 PolarHBondContact O-N 2.98Å; K105-E109 WeakPolarHBondContact CA-OE2 3.14Å; K105-E109 WeakPolarHBondContact CB-OE2 3.37Å; K105-E109 WeakPolarHBondContact CD-OE1 3.32Å; K105-E109 WeakPolarHBondContact CE-OE1 3.23Å; K105-E109 WeakPolarHBondContact CG-OE2 3.36Å; K105-E109 IonicContact NZ-OE1 2.72Å; K105-E109 PolarHBondContact NZ-OE1 3.24Å; K105-I110 HydrophobicContact CB-CD1 4.25Å; K105-I110 HydrophobicContact CB-CG1 4Å; K105-I110 WeakPolarHBondContact O-CD1 3.42Å |
| 106 | T | 77.4 | Confident | 69.2 | Low | 66 Ų | 66 | 113.8 Ų | 113.8 | 41% | 0.405 | 61% | 0.612 | S | S | . | * | | | trans | -64.6 | 154.6 | 179.5 | 63 | 0 | 0 | 0 | 0 | 110 | T104 E108 E109 I110 | T104-T106 PolarHBondContact O-N 3.38Å; T106-E108 PolarHBondContact O-N 3.1Å; T106-E108 VanDerWaalsContact O-N 3.17Å; T106-E109 PolarHBondContact O-N 3.43Å; T106-E109 VanDerWaalsContact O-N 3.11Å; T106-E109 PolarHBondContact OG1-N 2.93Å; T106-I110 WeakPolarHBondContact O-CG1 3.44Å; T106-I110 PolarHBondContact O-N 2.69Å |
| 107 | P | 81.9 | Confident | 71.3 | Confident | 98 Ų | 98 | 115.5 Ų | 115.5 | 64% | 0.636 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -55.9 | -31.8 | 174.7 | 22.3 | -33.6 | 0 | 0 | 0 | 112.1 | I110 E111 | P107-I110 WeakPolarHBondContact O-CB 3.4Å; P107-I110 PolarHBondContact O-N 3.46Å; P107-E111 PolarHBondContact O-N 2.95Å |
| 108 | E | 81.9 | Confident | 73.3 | Confident | 142 Ų | 142 | 114.4 Ų | 114.4 | 66% | 0.664 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.6 | -47.3 | 175.2 | -63.4 | 144.4 | 175.4 | 0 | 0 | 111.8 | T106 I110 E111 E112 | T106-E108 PolarHBondContact O-N 3.1Å; T106-E108 VanDerWaalsContact O-N 3.17Å; E108-I110 PolarHBondContact O-N 2.89Å; E108-E111 PolarHBondContact O-N 3.3Å; E108-E111 VanDerWaalsContact O-N 3.17Å; E108-E112 WeakPolarHBondContact O-CB 3.49Å; E108-E112 PolarHBondContact O-N 3.38Å |
| 109 | E | 84.4 | Confident | 75.2 | Confident | 68 Ų | 68 | 114.3 Ų | 114.3 | 32% | 0.318 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.6 | -31.3 | 174 | -165.1 | -157.1 | 145.6 | 0 | 0 | 111.5 | K105 T106 K113 | K105-E109 WeakPolarHBondContact CA-OE2 3.14Å; K105-E109 WeakPolarHBondContact CB-OE2 3.37Å; K105-E109 WeakPolarHBondContact CD-OE1 3.32Å; K105-E109 WeakPolarHBondContact CE-OE1 3.23Å; K105-E109 WeakPolarHBondContact CG-OE2 3.36Å; K105-E109 IonicContact NZ-OE1 2.72Å; K105-E109 PolarHBondContact NZ-OE1 3.24Å; T106-E109 PolarHBondContact O-N 3.43Å; T106-E109 VanDerWaalsContact O-N 3.11Å; T106-E109 PolarHBondContact OG1-N 2.93Å; E109-K113 WeakPolarHBondContact O-CB 3.38Å; E109-K113 VanDerWaalsContact O-CG 3.32Å; E109-K113 WeakPolarHBondContact O-CG 3.3Å; E109-K113 PolarHBondContact O-N 2.58Å |
| 110 | I | 89 | Confident | 77.8 | Confident | 51 Ų | 51 | 111.3 Ų | 111.3 | 26% | 0.262 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.9 | -33.9 | 175.8 | -66.7 | 163.1 | 0 | 0 | 0 | 111.9 | K105 T106 P107 E108 K113 R114 | K105-I110 HydrophobicContact CB-CD1 4.25Å; K105-I110 HydrophobicContact CB-CG1 4Å; K105-I110 WeakPolarHBondContact O-CD1 3.42Å; T106-I110 WeakPolarHBondContact O-CG1 3.44Å; T106-I110 PolarHBondContact O-N 2.69Å; P107-I110 WeakPolarHBondContact O-CB 3.4Å; P107-I110 PolarHBondContact O-N 3.46Å; E108-I110 PolarHBondContact O-N 2.89Å; I110-K113 WeakPolarHBondContact O-CG 3.27Å; I110-R114 WeakPolarHBondContact O-CD 3.33Å; I110-R114 WeakPolarHBondContact O-CG 3.34Å |
| 111 | E | 91.7 | Very high | 79.5 | Confident | 141 Ų | 141 | 114.5 Ų | 114.5 | 66% | 0.659 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -75.9 | -45.3 | 173.6 | -172.4 | 170.8 | -174.8 | 0 | 0 | 111.1 | P107 E108 K113 R114 A115 | P107-E111 PolarHBondContact O-N 2.95Å; E108-E111 PolarHBondContact O-N 3.3Å; E108-E111 VanDerWaalsContact O-N 3.17Å; E111-K113 PolarHBondContact O-N 3.1Å; E111-R114 WeakPolarHBondContact O-CB 3.21Å; E111-R114 PolarHBondContact O-N 3.13Å; E111-R114 VanDerWaalsContact O-N 3.07Å; E111-A115 PolarHBondContact O-N 3.17Å |
| 112 | E | 86.1 | Confident | 81.1 | Confident | 122 Ų | 122 | 116.6 Ų | 116.6 | 57% | 0.57 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -58.7 | -48.6 | 178.1 | -176.8 | 175.9 | -168.1 | 0 | 0 | 111.6 | E108 R114 A115 I116 | E108-E112 WeakPolarHBondContact O-CB 3.49Å; E108-E112 PolarHBondContact O-N 3.38Å; E112-R114 PolarHBondContact O-N 3.04Å; E112-A115 PolarHBondContact O-N 2.87Å; E112-I116 HydrophobicContact CG-CD1 3.82Å; E112-I116 HydrophobicContact CG-CG1 4.41Å; E112-I116 WeakPolarHBondContact O-CG1 3.26Å; E112-I116 PolarHBondContact O-N 3.26Å |
| 113 | K | 89.6 | Confident | 82.7 | Confident | 95 Ų | 95 | 112.4 Ų | 112.4 | 41% | 0.413 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.4 | -28.4 | 177.1 | 78.7 | -168.6 | -175.2 | -168.9 | 0 | 112.9 | E109 I110 E111 K117 | E109-K113 WeakPolarHBondContact O-CB 3.38Å; E109-K113 VanDerWaalsContact O-CG 3.32Å; E109-K113 WeakPolarHBondContact O-CG 3.3Å; E109-K113 PolarHBondContact O-N 2.58Å; I110-K113 WeakPolarHBondContact O-CG 3.27Å; E111-K113 PolarHBondContact O-N 3.1Å; K113-K117 VanDerWaalsContact O-CB 3.26Å; K113-K117 WeakPolarHBondContact O-CB 3.41Å; K113-K117 PolarHBondContact O-N 3.13Å; K113-K117 VanDerWaalsContact O-N 3.12Å |
| 114 | R | 91.4 | Very high | 83.8 | Confident | 172 Ų | 172 | 104.5 Ų | 104.5 | 65% | 0.649 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -74.3 | -45.1 | 174.2 | -75.2 | 171.7 | -177.5 | -174.6 | 3.1 | 110.7 | I110 E111 E112 K117 E118 | I110-R114 WeakPolarHBondContact O-CD 3.33Å; I110-R114 WeakPolarHBondContact O-CG 3.34Å; E111-R114 WeakPolarHBondContact O-CB 3.21Å; E111-R114 PolarHBondContact O-N 3.13Å; E111-R114 VanDerWaalsContact O-N 3.07Å; E112-R114 PolarHBondContact O-N 3.04Å; R114-K117 PolarHBondContact O-N 3.41Å; R114-E118 WeakPolarHBondContact O-CB 3.38Å; R114-E118 PolarHBondContact O-N 3.49Å |
| 115 | A | 92.1 | Very high | 83.9 | Confident | 47 Ų | 47 | 105.2 Ų | 105.2 | 39% | 0.388 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E111 E112 K117 E118 M119 | E111-A115 PolarHBondContact O-N 3.17Å; E112-A115 PolarHBondContact O-N 2.87Å; A115-K117 PolarHBondContact O-N 3.31Å; A115-E118 PolarHBondContact O-N 3.39Å; A115-M119 WeakPolarHBondContact O-CB 3.38Å; A115-M119 VanDerWaalsContact O-CG 3.23Å; A115-M119 WeakPolarHBondContact O-CG 3.41Å; A115-M119 PolarHBondContact O-N 2.86Å |
| 116 | I | 91.4 | Very high | 82.7 | Confident | 93 Ų | 93 | 108.2 Ų | 108.2 | 48% | 0.477 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.6 | -47.9 | 174.6 | -66.1 | 168.6 | 0 | 0 | 0 | 110.3 | E112 E118 M119 C120 | E112-I116 HydrophobicContact CG-CD1 3.82Å; E112-I116 HydrophobicContact CG-CG1 4.41Å; E112-I116 WeakPolarHBondContact O-CG1 3.26Å; E112-I116 PolarHBondContact O-N 3.26Å; I116-E118 VanDerWaalsContact C-N 3.34Å; I116-E118 PolarHBondContact O-N 3.41Å; I116-M119 PolarHBondContact O-N 2.89Å; I116-C120 PolarHBondContact O-N 3.05Å; I116-C120 PolarHBondContact O-SG 3.12Å |
| 117 | K | 90.6 | Very high | 81.5 | Confident | 159 Ų | 159 | 114.3 Ų | 114.3 | 69% | 0.691 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.6 | -40.8 | 178.3 | -173.7 | 175.5 | -178.8 | 176.5 | 0 | 112.5 | K113 R114 A115 Y121 | K113-K117 VanDerWaalsContact O-CB 3.26Å; K113-K117 WeakPolarHBondContact O-CB 3.41Å; K113-K117 PolarHBondContact O-N 3.13Å; K113-K117 VanDerWaalsContact O-N 3.12Å; R114-K117 PolarHBondContact O-N 3.41Å; A115-K117 PolarHBondContact O-N 3.31Å; K117-Y121 VanDerWaalsContact O-CB 3.32Å; K117-Y121 WeakPolarHBondContact O-CB 3.21Å; K117-Y121 PolarHBondContact O-N 3.3Å |
| 118 | E | 88.5 | Confident | 79.9 | Confident | 104 Ų | 104 | 119.6 Ų | 119.6 | 49% | 0.486 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.7 | -40.9 | 176.4 | -173.2 | 179.3 | 171 | 0 | 0 | 111.7 | R114 A115 I116 Y121 K122 | R114-E118 WeakPolarHBondContact O-CB 3.38Å; R114-E118 PolarHBondContact O-N 3.49Å; A115-E118 PolarHBondContact O-N 3.39Å; I116-E118 VanDerWaalsContact C-N 3.34Å; I116-E118 PolarHBondContact O-N 3.41Å; E118-Y121 PolarHBondContact O-N 3.44Å; E118-K122 HydrophobicContact CG-CD 4.19Å; E118-K122 WeakPolarHBondContact O-CB 3.18Å; E118-K122 WeakPolarHBondContact O-CG 3.19Å; E118-K122 PolarHBondContact O-N 3.22Å; E118-K122 WeakPolarHBondContact OE1-CE 3.32Å; E118-K122 IonicContact OE1-NZ 2.58Å; E118-K122 PolarHBondContact OE1-NZ 3.39Å |
| 119 | M | 85.5 | Confident | 77.9 | Confident | 131 Ų | 131 | 121 Ų | 121 | 65% | 0.645 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.7 | -43.3 | 175.2 | -71.1 | -63.1 | -65.1 | 0 | 0 | 112 | A115 I116 K122 S123 | A115-M119 WeakPolarHBondContact O-CB 3.38Å; A115-M119 VanDerWaalsContact O-CG 3.23Å; A115-M119 WeakPolarHBondContact O-CG 3.41Å; A115-M119 PolarHBondContact O-N 2.86Å; I116-M119 PolarHBondContact O-N 2.89Å; M119-K122 PolarHBondContact O-N 3.22Å; M119-S123 VanDerWaalsContact O-CB 3.27Å; M119-S123 WeakPolarHBondContact O-CB 3.44Å; M119-S123 PolarHBondContact O-N 2.85Å; M119-S123 PolarHBondContact O-OG 2.88Å |
| 120 | C | 87.7 | Confident | 75.9 | Confident | 43 Ų | 43 | 125.7 Ų | 125.7 | 29% | 0.291 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.4 | -34.6 | 175 | -66.5 | 0 | 0 | 0 | 0 | 112.8 | I116 S123 G124 E125 | I116-C120 PolarHBondContact O-N 3.05Å; I116-C120 PolarHBondContact O-SG 3.12Å; C120-S123 WeakPolarHBondContact CA-OG 3.44Å; C120-S123 PolarHBondContact O-OG 2.85Å; C120-G124 PolarHBondContact O-N 3.32Å; C120-E125 PolarHBondContact O-N 3.22Å |
| 121 | Y | 84.6 | Confident | 73.7 | Confident | 180 Ų | 180 | 127.2 Ų | 127.2 | 71% | 0.706 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.5 | -45.3 | 174.7 | -177 | -100.8 | 0 | 0 | 0 | 111.7 | K117 E118 G124 | K117-Y121 VanDerWaalsContact O-CB 3.32Å; K117-Y121 WeakPolarHBondContact O-CB 3.21Å; K117-Y121 PolarHBondContact O-N 3.3Å; E118-Y121 PolarHBondContact O-N 3.44Å; Y121-G124 PolarHBondContact O-N 3.12Å |
| 122 | K | 83.8 | Confident | 71.7 | Confident | 146 Ų | 146 | 125.5 Ų | 125.5 | 64% | 0.635 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.5 | -30 | 179.7 | -73.2 | -178.5 | -176 | 174 | 0 | 114.3 | E118 M119 G124 | E118-K122 HydrophobicContact CG-CD 4.19Å; E118-K122 WeakPolarHBondContact O-CB 3.18Å; E118-K122 WeakPolarHBondContact O-CG 3.19Å; E118-K122 PolarHBondContact O-N 3.22Å; E118-K122 WeakPolarHBondContact OE1-CE 3.32Å; E118-K122 IonicContact OE1-NZ 2.58Å; E118-K122 PolarHBondContact OE1-NZ 3.39Å; M119-K122 PolarHBondContact O-N 3.22Å; K122-G124 VanDerWaalsContact C-N 3.28Å |
| 123 | S | 79.8 | Confident | 69.7 | Low | 66 Ų | 66 | 125.7 Ų | 125.7 | 46% | 0.462 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78 | -12.1 | 175.3 | 53.7 | 0 | 0 | 0 | 0 | 113.3 | M119 C120 E125 | M119-S123 VanDerWaalsContact O-CB 3.27Å; M119-S123 WeakPolarHBondContact O-CB 3.44Å; M119-S123 PolarHBondContact O-N 2.85Å; M119-S123 PolarHBondContact O-OG 2.88Å; C120-S123 WeakPolarHBondContact CA-OG 3.44Å; C120-S123 PolarHBondContact O-OG 2.85Å; S123-E125 PolarHBondContact O-N 3.43Å |
| 124 | G | 72.5 | Confident | 67.4 | Low | 48 Ų | 48 | 128.6 Ų | 128.6 | 50% | 0.495 | 63% | 0.634 | S | S | . | * | S | Bend | trans | 73.4 | 0.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | C120 Y121 K122 Y126 Y127 | C120-G124 PolarHBondContact O-N 3.32Å; Y121-G124 PolarHBondContact O-N 3.12Å; K122-G124 VanDerWaalsContact C-N 3.28Å; G124-Y126 PolarHBondContact O-N 3.27Å; G124-Y126 VanDerWaalsContact O-N 3.15Å; G124-Y127 PolarHBondContact O-N 3.49Å |
| 125 | E | 57.2 | Low | 64.8 | Low | 155 Ų | 155 | 127.7 Ų | 127.7 | 72% | 0.724 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -19.3 | -178.4 | -66.2 | -175.2 | 161.6 | 0 | 0 | 112.9 | C120 S123 Y127 | C120-E125 PolarHBondContact O-N 3.22Å; S123-E125 PolarHBondContact O-N 3.43Å; E125-Y127 VanDerWaalsContact C-N 3.32Å; E125-Y127 PolarHBondContact O-N 3.1Å |
| 126 | Y | 50.7 | Low | 62.1 | Low | 145 Ų | 145 | 131.1 Ų | 131.1 | 57% | 0.569 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -18.3 | 177.7 | -166.6 | -99 | 0 | 0 | 0 | 114.5 | G124 | G124-Y126 PolarHBondContact O-N 3.27Å; G124-Y126 VanDerWaalsContact O-N 3.15Å |
| 127 | Y | 51.3 | Low | 59.5 | Low | 195 Ų | 195 | 132.4 Ų | 132.4 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | | | trans | -111.7 | 64.6 | 176.1 | -85.8 | -79.6 | 0 | 0 | 0 | 112.2 | G124 E125 | G124-Y127 PolarHBondContact O-N 3.49Å; E125-Y127 VanDerWaalsContact C-N 3.32Å; E125-Y127 PolarHBondContact O-N 3.1Å |
| 128 | R | 48.4 | Very low | 56.9 | Low | 208 Ų | 208 | 130 Ų | 130 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | | | trans | -132.8 | 60.5 | 153.8 | -166.5 | 179.8 | -80.1 | 135.3 | -3.4 | 111.2 | | |
| 129 | F | 39.8 | Very low | 54.3 | Low | 171 Ų | 171 | 134.9 Ų | 134.9 | 75% | 0.75 | 70% | 0.699 | S | S | * | * | | | trans | -77.5 | 125.8 | 151.8 | -73.1 | -82.8 | 0 | 0 | 0 | 107.9 | A131 | F129-A131 PolarHBondContact O-N 3Å; F129-A131 VanDerWaalsContact O-N 3.17Å |
| 130 | H | 41.7 | Very low | 51.9 | Low | 168 Ų | 168 | 134 Ų | 134 | 78% | 0.778 | 71% | 0.705 | S | S | * | * | | | trans | -70.7 | 106.9 | 166.3 | -75.2 | -89.9 | 0 | 0 | 0 | 107.7 | | |
| 131 | A | 44.5 | Very low | 49.3 | Very low | 82 Ų | 82 | 138.7 Ų | 138.7 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | | | trans | -57.8 | 133.1 | 162 | 0 | 0 | 0 | 0 | 0 | 108.2 | F129 | F129-A131 PolarHBondContact O-N 3Å; F129-A131 VanDerWaalsContact O-N 3.17Å |
| 132 | P | 48.4 | Very low | 46.8 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 69% | 0.688 | 73% | 0.729 | S | S | * | * | | | trans | -54.6 | 142.5 | 165.9 | -22.1 | 33.6 | 0 | 0 | 0 | 109.3 | D134 | P132-D134 PolarHBondContact O-N 3.07Å; P132-D134 VanDerWaalsContact O-N 3.07Å |
| 133 | P | 45.1 | Very low | 44.5 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | | | trans | -63 | 114.4 | 173.3 | -20 | 32.2 | 0 | 0 | 0 | 109.7 | I135 | P133-I135 PolarHBondContact O-N 3.25Å; P133-I135 VanDerWaalsContact O-N 3.13Å |
| 134 | D | 39.6 | Very low | 42 | Very low | 157 Ų | 157 | 136 Ų | 136 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | | | trans | -58.3 | 117.7 | 173.1 | -69.9 | -52.7 | 0 | 0 | 0 | 109.4 | P132 | P132-D134 PolarHBondContact O-N 3.07Å; P132-D134 VanDerWaalsContact O-N 3.07Å |
| 135 | I | 37 | Very low | 40.1 | Very low | 152 Ų | 152 | 139.6 Ų | 139.6 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | | | trans | -68.5 | 127.8 | 174.1 | -62.4 | 170.6 | 0 | 0 | 0 | 107 | P133 S137 | P133-I135 PolarHBondContact O-N 3.25Å; P133-I135 VanDerWaalsContact O-N 3.13Å; I135-S137 PolarHBondContact O-N 3.04Å |
| 136 | P | 36.9 | Very low | 39.1 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | | | trans | -69 | 93.7 | -178.6 | 27.1 | -34.1 | 0 | 0 | 0 | 110.8 | S138 | P136-S138 PolarHBondContact O-N 3.45Š|
| 137 | S | 35.3 | Very low | 38.6 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | | | trans | -72.2 | 94.9 | 171.5 | -172 | 0 | 0 | 0 | 0 | 109.8 | I135 K139 | I135-S137 PolarHBondContact O-N 3.04Å; S137-K139 PolarHBondContact O-N 3.19Å |
| 138 | S | 36.2 | Very low | 37.5 | Very low | 109 Ų | 109 | 143 Ų | 143 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | trans | -75 | 101.8 | 178.2 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | P136 | P136-S138 PolarHBondContact O-N 3.45Š|
| 139 | K | 35 | Very low | 36.5 | Very low | 205 Ų | 205 | 139.3 Ų | 139.3 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | | | trans | -161 | 118.2 | 143.4 | -112.2 | 161.4 | -172.5 | 177.4 | 0 | 113 | S137 | S137-K139 PolarHBondContact O-N 3.19Š|
| 140 | S | 34 | Very low | 35.9 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | | | trans | -71.3 | 135.2 | 170.6 | 166.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 141 | V | 34.6 | Very low | 35.5 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | | | trans | -137.6 | 131.8 | 143.4 | -179.1 | 0 | 0 | 0 | 0 | 107 | | |
| 142 | A | 30.8 | Very low | 35.1 | Very low | 77 Ų | 77 | 140.5 Ų | 140.5 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 156.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 143 | P | 35 | Very low | 34.2 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 132.2 | 179 | 29.4 | -34.5 | 0 | 0 | 0 | 112 | V145 | P143-V145 PolarHBondContact O-N 2.84Š|
| 144 | T | 28.1 | Very low | 33.5 | Very low | 136 Ų | 136 | 144 Ų | 144 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 117 | 171.7 | -33.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 145 | V | 31.7 | Very low | 32.9 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | | | trans | -86.3 | 115.3 | 171.5 | 169.2 | 0 | 0 | 0 | 0 | 108.9 | P143 | P143-V145 PolarHBondContact O-N 2.84Š|
| 146 | E | 36.6 | Very low | 32.6 | Very low | 187 Ų | 187 | 138.6 Ų | 138.6 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | -69.3 | 144.1 | 168.9 | -64.2 | -172.8 | 146.4 | 0 | 0 | 110.5 | | |
| 147 | K | 39.9 | Very low | 32.3 | Very low | 196 Ų | 196 | 138.4 Ų | 138.4 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | | | trans | -112.9 | 128.4 | 179.8 | -69.2 | 179.6 | 176.3 | -179.9 | 0 | 109.9 | | |
| 148 | E | 29.1 | Very low | 32.2 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | 179.7 | 144.6 | 147.8 | -102.7 | 176.9 | -174.8 | 0 | 0 | 105.9 | | |
| 149 | L | 27.6 | Very low | 32.4 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | | | cis | -156 | 157.9 | 9.8 | -168.7 | 76.4 | 0 | 0 | 0 | 109.5 | | |
| 150 | E | 27.8 | Very low | 32.7 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 65% | 0.654 | 79% | 0.786 | S | S | * | * | | | trans | 63.4 | 98.5 | 151.1 | -96.2 | 178.9 | -132.7 | 0 | 0 | 122.8 | | |
| 151 | K | 31.8 | Very low | 33 | Very low | 181 Ų | 181 | 146.2 Ų | 146.2 | 79% | 0.787 | 79% | 0.788 | S | S | * | * | | | | 167.1 | 135.9 | 96.4 | -93.3 | 161.8 | -172.3 | 167.1 | 0 | 112.5 | | |
| 152 | P | 36.5 | Very low | 33.1 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | trans | -101.4 | 144.2 | 178.6 | 36.9 | -30.9 | 0 | 0 | 0 | 112.8 | | |
| 153 | L | 29.1 | Very low | 33.5 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -154.6 | 132.5 | 156 | -161.9 | 56 | 0 | 0 | 0 | 113.2 | | |
| 154 | E | 30.8 | Very low | 33.7 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | | | trans | 67.2 | 102.6 | 155.8 | -76 | 175.8 | 142.1 | 0 | 0 | 122.9 | | |
| 155 | T | 26.5 | Very low | 34.2 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | | | | 92.2 | 132.5 | 108.4 | -59.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 156 | G | 30.4 | Very low | 34.6 | Very low | 57 Ų | 57 | 145.4 Ų | 145.4 | 59% | 0.588 | 79% | 0.792 | S | S | * | * | | | trans | 109.8 | 85.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 157 | S | 32.4 | Very low | 34.7 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | | 53.6 | 121.7 | 94.3 | 68.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 158 | E | 33 | Very low | 34.9 | Very low | 187 Ų | 187 | 138.5 Ų | 138.5 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | | -168.4 | 168 | 54.1 | -170.5 | 162.7 | -169.9 | 0 | 0 | 111 | | |
| 159 | L | 40.4 | Very low | 35.1 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | | | trans | -76.8 | 143.7 | -177.2 | -61.2 | 160.5 | 0 | 0 | 0 | 111.9 | | |
| 160 | Q | 40.2 | Very low | 35.9 | Very low | 193 Ų | 193 | 138.4 Ų | 138.4 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | | | | -150.7 | 131 | 127.3 | -160 | 163 | -5.5 | 0 | 0 | 112.2 | | |
| 161 | E | 41.5 | Very low | 36.1 | Very low | 177 Ų | 177 | 140 Ų | 140 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | | | trans | -81.5 | 151.5 | 178.5 | -61 | 153 | 138.9 | 0 | 0 | 110.8 | | |
| 162 | G | 35.3 | Very low | 36.2 | Very low | 78 Ų | 78 | 136.7 Ų | 136.7 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -167.9 | 68.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 163 | D | 40.6 | Very low | 36.1 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | -68.6 | 150.3 | 173.7 | -171.1 | 13.6 | 0 | 0 | 0 | 111.5 | | |
| 164 | G | 37.6 | Very low | 36.4 | Very low | 71 Ų | 71 | 139.9 Ų | 139.9 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | | | trans | 178 | 50 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 165 | L | 39.9 | Very low | 36.5 | Very low | 149 Ų | 149 | 141 Ų | 141 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | | | trans | -46 | 136.7 | 173.2 | -65.7 | 160.4 | 0 | 0 | 0 | 113.9 | | |
| 166 | T | 39.1 | Very low | 37.1 | Very low | 138 Ų | 138 | 146.3 Ų | 146.3 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | | | | 174.1 | 142.2 | 119.5 | -65.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 167 | V | 39.5 | Very low | 37.3 | Very low | 129 Ų | 129 | 148.3 Ų | 148.3 | 78% | 0.782 | 81% | 0.811 | S | S | * | * | | | trans | -105.9 | -168.8 | -176.3 | -145.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 168 | P | 44.8 | Very low | 37.4 | Very low | 109 Ų | 109 | 146.6 Ų | 146.6 | 71% | 0.708 | 81% | 0.811 | S | S | * | * | | | | -106.1 | 173.1 | -121.9 | 41.4 | -26.2 | 0 | 0 | 0 | 115 | | |
| 169 | T | 32 | Very low | 37.7 | Very low | 142 Ų | 142 | 146 Ų | 146 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | | | trans | -130 | 130.4 | 167.3 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 170 | K | 44.8 | Very low | 37.5 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 74% | 0.739 | 81% | 0.81 | S | S | * | * | | | trans | -103 | 170.5 | 177.5 | -71.3 | -176.2 | 175.7 | -179.3 | 0 | 111.7 | | |
| 171 | F | 32.4 | Very low | 37.9 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | | | trans | 76.4 | 122.4 | 159.7 | -69.4 | -77.5 | 0 | 0 | 0 | 119.3 | | |
| 172 | S | 32.5 | Very low | 37.4 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | | | | -158.9 | 144.2 | 98.2 | 45.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 173 | L | 34.2 | Very low | 37.2 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 71% | 0.712 | 80% | 0.799 | S | S | * | * | | | trans | -83.3 | 156.7 | 157 | -75.9 | 90.9 | 0 | 0 | 0 | 108.3 | | |
| 174 | F | 35.6 | Very low | 37 | Very low | 206 Ų | 206 | 142.6 Ų | 142.6 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | | | trans | -149.2 | 126.4 | 138.8 | -99.5 | -69.4 | 0 | 0 | 0 | 111.7 | | |
| 175 | E | 34.6 | Very low | 36.6 | Very low | 179 Ų | 179 | 145.2 Ų | 145.2 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | | | trans | -73.4 | 155.9 | 160.9 | -67.2 | 170.3 | 98.8 | 0 | 0 | 110.5 | | |
| 176 | R | 38.7 | Very low | 36.3 | Very low | 249 Ų | 249 | 149.4 Ų | 149.4 | 94% | 0.94 | 81% | 0.805 | S | S | * | * | | | trans | -151.5 | 105.2 | 147.8 | -154.2 | 170.8 | -163.5 | 154.7 | 6 | 112.3 | | |
| 177 | A | 34.7 | Very low | 36.7 | Very low | 99 Ų | 99 | 151.6 Ų | 151.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -83.6 | 154.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 178 | G | 34.8 | Very low | 36.8 | Very low | 80 Ų | 80 | 151.6 Ų | 151.6 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | -165 | 105.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 179 | E | 39.3 | Very low | 36.5 | Very low | 175 Ų | 175 | 158.2 Ų | 158.2 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | -82.6 | 152.1 | 178.6 | -64.4 | -176.4 | 104.3 | 0 | 0 | 112.6 | | |
| 180 | A | 35 | Very low | 36.8 | Very low | 100 Ų | 100 | 156.8 Ų | 156.8 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | | | trans | -149.1 | 141.8 | 150.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 181 | K | 48 | Very low | 36.4 | Very low | 173 Ų | 173 | 155 Ų | 155 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | | | trans | -124.9 | -178.1 | 179.2 | -69.6 | -168.4 | 180 | 177.9 | 0 | 110.9 | | |
| 182 | T | 31.2 | Very low | 36.7 | Very low | 141 Ų | 141 | 153.9 Ų | 153.9 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | | | trans | 91.7 | 141.8 | -178.7 | 72.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 183 | S | 32.4 | Very low | 36.8 | Very low | 98 Ų | 98 | 153.4 Ų | 153.4 | 69% | 0.685 | 81% | 0.809 | S | S | * | * | | | cis | -166.8 | 158.7 | -15.1 | 45.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 184 | L | 36 | Very low | 37 | Very low | 165 Ų | 165 | 151.6 Ų | 151.6 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | | | trans | 67 | 119.9 | 149.3 | -76.4 | 161.5 | 0 | 0 | 0 | 123.9 | | |
| 185 | D | 29.5 | Very low | 37 | Very low | 127 Ų | 127 | 151.1 Ų | 151.1 | 68% | 0.679 | 81% | 0.812 | S | S | * | * | | | | 61.4 | 108.2 | 129 | -166.2 | 44.2 | 0 | 0 | 0 | 122.7 | | |
| 186 | R | 32.4 | Very low | 37.5 | Very low | 236 Ų | 236 | 151.4 Ų | 151.4 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | | | | -165.3 | 142.6 | 116.3 | -111.5 | 173.3 | 175.6 | 166.4 | -0.8 | 113.8 | | |
| 187 | K | 47.4 | Very low | 37.8 | Very low | 184 Ų | 184 | 147.5 Ų | 147.5 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 149.4 | 179.2 | -61 | 174 | 177.2 | 178.2 | 0 | 113.7 | | |
| 188 | P | 43 | Very low | 37.9 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 148.9 | 153.9 | 33 | -32.3 | 0 | 0 | 0 | 110.6 | | |
| 189 | R | 39 | Very low | 37.9 | Very low | 248 Ų | 248 | 146.9 Ų | 146.9 | 94% | 0.936 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 121.1 | -170.7 | -157 | 178.3 | -167.7 | 171.1 | 1.8 | 110.3 | | |
| 190 | T | 36.8 | Very low | 37.7 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 69% | 0.693 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 140.7 | 160 | 41.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 191 | D | 36.8 | Very low | 38.1 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | | | | 169.1 | 138.9 | 105.2 | -93.4 | -31.3 | 0 | 0 | 0 | 115.8 | | |
| 192 | I | 39.8 | Very low | 37.6 | Very low | 151 Ų | 151 | 142 Ų | 142 | 77% | 0.774 | 81% | 0.812 | S | S | * | * | | | trans | 59.7 | 116.8 | 138.1 | -56.5 | 162.8 | 0 | 0 | 0 | 120.3 | | |
| 193 | A | 34.2 | Very low | 37.9 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | | | | -160.4 | 140.7 | 115 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 194 | A | 38.5 | Very low | 38.3 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | | | trans | -103 | 159.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 195 | F | 35.7 | Very low | 38.5 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | | | trans | -147.3 | 129.4 | 147.3 | 56.4 | -91.9 | 0 | 0 | 0 | 113 | | |
| 196 | E | 45.2 | Very low | 38.9 | Very low | 186 Ų | 186 | 146.4 Ų | 146.4 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | | | trans | 48 | 132.9 | 155.3 | -93.1 | 172.9 | 134.9 | 0 | 0 | 125.1 | | |
| 197 | N | 43.3 | Very low | 39 | Very low | 167 Ų | 167 | 146.4 Ų | 146.4 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | | | trans | -69.3 | 146.2 | 178.9 | -51.6 | -72.6 | 0 | 0 | 0 | 113.1 | | |
| 198 | G | 38.3 | Very low | 38.7 | Very low | 81 Ų | 81 | 144.2 Ų | 144.2 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | | | trans | -161 | 68.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 199 | G | 34.9 | Very low | 38.5 | Very low | 84 Ų | 84 | 145 Ų | 145 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | | | trans | -69.1 | 144.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 200 | G | 33.9 | Very low | 38.4 | Very low | 68 Ų | 68 | 142.2 Ų | 142.2 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | | | trans | -164.1 | 99 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | C202 | G200-C202 PolarHBondContact O-N 2.81Š|
| 201 | D | 43.3 | Very low | 38.4 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | | | trans | -68.5 | 120.5 | -164.9 | -60.7 | -49.5 | 0 | 0 | 0 | 113.4 | | |
| 202 | C | 37.9 | Very low | 38.3 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -88.4 | 104.8 | 174.5 | 52.5 | 0 | 0 | 0 | 0 | 111.1 | G200 A204 | G200-C202 PolarHBondContact O-N 2.81Å; C202-A204 PolarHBondContact O-N 3.18Å; C202-A204 VanDerWaalsContact O-N 3.1Å |
| 203 | Y | 38.1 | Very low | 37.8 | Very low | 232 Ų | 232 | 141.2 Ų | 141.2 | 91% | 0.91 | 82% | 0.818 | S | S | * | * | | | trans | -68.7 | 105.1 | 171.7 | -91.9 | -91.3 | 0 | 0 | 0 | 111.4 | | |
| 204 | A | 40.8 | Very low | 37.6 | Very low | 78 Ų | 78 | 143.8 Ų | 143.8 | 65% | 0.645 | 82% | 0.817 | S | S | * | * | | | trans | -111.6 | 118.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | C202 Q206 | C202-A204 PolarHBondContact O-N 3.18Å; C202-A204 VanDerWaalsContact O-N 3.1Å; A204-Q206 PolarHBondContact O-N 3.15Å; A204-Q206 VanDerWaalsContact O-N 3.1Å |
| 205 | P | 39.8 | Very low | 37.4 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 84% | 0.844 | 82% | 0.816 | S | S | * | * | | | trans | -71.7 | 104.4 | 175.7 | -16.4 | 30.9 | 0 | 0 | 0 | 110.8 | | |
| 206 | Q | 37.4 | Very low | 37.5 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | -74.7 | 145.4 | 170.5 | -78.9 | -175.2 | -7.8 | 0 | 0 | 111.4 | A204 | A204-Q206 PolarHBondContact O-N 3.15Å; A204-Q206 VanDerWaalsContact O-N 3.1Å |
| 207 | R | 35.8 | Very low | 36.9 | Very low | 235 Ų | 235 | 143.2 Ų | 143.2 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | | | trans | -87.8 | 120.2 | -173.9 | -54.9 | 168.4 | -165.4 | -111.8 | -0.3 | 107.9 | I209 | R207-I209 PolarHBondContact O-N 3.38Š|
| 208 | I | 40.4 | Very low | 36.4 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | | | trans | -77.3 | 114.2 | 179.6 | -56.8 | 174.7 | 0 | 0 | 0 | 109 | F210 | I208-F210 HydrophobicContact CG2-CD2 3.63Å; I208-F210 HydrophobicContact CG2-CE2 3.46Å; I208-F210 VanDerWaalsContact CG2-CE2 3.46Å; I208-F210 HydrophobicContact CG2-CG 4.29Å; I208-F210 HydrophobicContact CG2-CZ 3.99Å |
| 209 | I | 39.4 | Very low | 36.1 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | | | trans | -99.1 | 114.2 | 163.6 | -60.8 | 174.3 | 0 | 0 | 0 | 106.3 | R207 L211 | R207-I209 PolarHBondContact O-N 3.38Å; I209-L211 HydrophobicContact CG2-CG 4.44Å; I209-L211 PolarHBondContact O-N 3.3Å |
| 210 | F | 35.3 | Very low | 35.8 | Very low | 189 Ų | 189 | 142.6 Ų | 142.6 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | | | trans | -84.7 | 106.2 | 167.9 | -79.5 | -80.2 | 0 | 0 | 0 | 109 | I208 | I208-F210 HydrophobicContact CG2-CD2 3.63Å; I208-F210 HydrophobicContact CG2-CE2 3.46Å; I208-F210 VanDerWaalsContact CG2-CE2 3.46Å; I208-F210 HydrophobicContact CG2-CG 4.29Å; I208-F210 HydrophobicContact CG2-CZ 3.99Å |
| 211 | L | 37.5 | Very low | 35.7 | Very low | 165 Ų | 165 | 148.2 Ų | 148.2 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -89.6 | 136.2 | 153.8 | -73.2 | 167.5 | 0 | 0 | 0 | 107.3 | I209 | I209-L211 HydrophobicContact CG2-CG 4.44Å; I209-L211 PolarHBondContact O-N 3.3Å |
| 212 | G | 33.9 | Very low | 35.2 | Very low | 67 Ų | 67 | 146.7 Ų | 146.7 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | | | trans | -109 | 176.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 213 | V | 30.8 | Very low | 35.4 | Very low | 144 Ų | 144 | 149 Ų | 149 | 87% | 0.873 | 79% | 0.787 | S | S | * | * | | | trans | 70.4 | 117.7 | 173.7 | -166.8 | 0 | 0 | 0 | 0 | 112 | | |
| 214 | D | 29.2 | Very low | 35.1 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | | -155 | 171.6 | 62.5 | -154.3 | 0.4 | 0 | 0 | 0 | 113.9 | | |
| 215 | E | 34.7 | Very low | 34.8 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -106.4 | 153.1 | -170.6 | -62.6 | -177.1 | 110.1 | 0 | 0 | 115.1 | | |
| 216 | S | 36.6 | Very low | 34.4 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | 65.7 | 162.3 | 157.4 | 76.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 217 | E | 32.9 | Very low | 34.6 | Very low | 182 Ų | 182 | 143.6 Ų | 143.6 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | cis | -148.6 | 170.6 | 3.2 | -103.7 | -136.8 | 120.6 | 0 | 0 | 106.8 | | |
| 218 | A | 32.5 | Very low | 34.5 | Very low | 64 Ų | 64 | 142.3 Ų | 142.3 | 53% | 0.529 | 78% | 0.784 | S | S | . | * | | | cis | -173.6 | -157.4 | -14.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 219 | L | 31.9 | Very low | 34.1 | Very low | 174 Ų | 174 | 142.2 Ų | 142.2 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | | | trans | 79.4 | 134.5 | 169.5 | -57.3 | -178.8 | 0 | 0 | 0 | 117.9 | | |
| 220 | A | 29.8 | Very low | 33.8 | Very low | 80 Ų | 80 | 140.7 Ų | 140.7 | 66% | 0.661 | 80% | 0.796 | S | S | * | * | | | cis | -149 | 170.6 | 7.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 221 | E | 30.9 | Very low | 34 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | 70.9 | 133.6 | 158.5 | -74.7 | 174 | -173.1 | 0 | 0 | 118.2 | | |
| 222 | D | 33.1 | Very low | 33.9 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 68% | 0.679 | 80% | 0.797 | S | S | * | * | | | cis | -160.9 | 163.5 | -2.8 | -161.4 | 14.1 | 0 | 0 | 0 | 112.3 | | |
| 223 | K | 42.2 | Very low | 34 | Very low | 166 Ų | 166 | 144 Ų | 144 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | | | trans | 79 | 92 | 160 | -47.1 | -145.7 | 175.2 | -164 | 0 | 122.6 | | |
| 224 | E | 33.1 | Very low | 34.1 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | | 56.4 | 107.8 | 109 | -164.2 | 176.7 | -167.2 | 0 | 0 | 121 | | |
| 225 | A | 32.7 | Very low | 34.7 | Very low | 102 Ų | 102 | 143.5 Ų | 143.5 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | -153.2 | 123.5 | 142.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 226 | T | 32.8 | Very low | 34.7 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | | | trans | -99.2 | 125.8 | -174.2 | -60 | 0 | 0 | 0 | 0 | 112.3 | | |
| 227 | S | 40.8 | Very low | 34.7 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | | | trans | -170.2 | 106.5 | 146.3 | 57.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 228 | K | 34 | Very low | 35.1 | Very low | 207 Ų | 207 | 141.4 Ų | 141.4 | 90% | 0.9 | 79% | 0.789 | S | S | * | * | | | trans | 50.4 | 117.3 | 135 | -59.3 | 178.3 | -178.1 | 176.7 | 0 | 120.5 | | |
| 229 | C | 32.2 | Very low | 35.8 | Very low | 136 Ų | 136 | 143.4 Ų | 143.4 | 92% | 0.919 | 80% | 0.797 | S | S | * | * | | | trans | -58.9 | 152.2 | 170.1 | -56.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 230 | S | 32.8 | Very low | 36 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | | | trans | -148.2 | 147.6 | 133 | 68.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 231 | N | 38.6 | Very low | 36.6 | Very low | 167 Ų | 167 | 149.4 Ų | 149.4 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | | | trans | -109.1 | 111.8 | -173.7 | -136.9 | -40.8 | 0 | 0 | 0 | 108.2 | | |
| 232 | V | 35.4 | Very low | 37.4 | Very low | 134 Ų | 134 | 149.6 Ų | 149.6 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | trans | -137.5 | 140.7 | 171.6 | -174.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 233 | K | 36.8 | Very low | 38.1 | Very low | 189 Ų | 189 | 149.4 Ų | 149.4 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | | | trans | -79.7 | 174.4 | -172.5 | -167.1 | 176.3 | -174 | 176.4 | 0 | 112.1 | | |
| 234 | V | 32.3 | Very low | 38.1 | Very low | 130 Ų | 130 | 149.2 Ų | 149.2 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | | | trans | 106.1 | 131.4 | 159.9 | -175.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 235 | N | 42.8 | Very low | 38.7 | Very low | 157 Ų | 157 | 149.9 Ų | 149.9 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | | | trans | -64.9 | 144 | 177.6 | -50.2 | -72.6 | 0 | 0 | 0 | 111.9 | | |
| 236 | D | 34 | Very low | 39.7 | Very low | 156 Ų | 156 | 153.6 Ų | 153.6 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | | | trans | -142.6 | 149.2 | 148.9 | -154.1 | 4.6 | 0 | 0 | 0 | 112.8 | | |
| 237 | V | 37.9 | Very low | 40.2 | Very low | 104 Ų | 104 | 150.8 Ų | 150.8 | 63% | 0.63 | 81% | 0.805 | S | S | * | * | | | trans | -55.9 | 143.4 | -168.2 | 171.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 238 | Q | 40.8 | Very low | 40.5 | Very low | 166 Ų | 166 | 152 Ų | 152 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | | | | -176.2 | 127.6 | 120.4 | -92.6 | -54.9 | -49.6 | 0 | 0 | 110.7 | V240 | Q238-V240 PolarHBondContact O-N 3.05Š|
| 239 | P | 46.2 | Very low | 41.4 | Very low | 105 Ų | 105 | 151.3 Ų | 151.3 | 68% | 0.682 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 126.9 | 174.3 | 29.5 | -33.1 | 0 | 0 | 0 | 111.5 | R241 | P239-R241 PolarHBondContact O-N 2.72Š|
| 240 | V | 36 | Very low | 42.2 | Very low | 141 Ų | 141 | 154.2 Ų | 154.2 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 123.1 | 177.6 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | Q238 K242 | Q238-V240 PolarHBondContact O-N 3.05Å; V240-K242 PolarHBondContact O-N 3.33Å |
| 241 | R | 44.2 | Very low | 43.1 | Very low | 239 Ų | 239 | 159.8 Ų | 159.8 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 116.7 | 178.3 | -76.3 | 176.4 | 166.1 | 171.1 | -4.5 | 110.7 | P239 | P239-R241 PolarHBondContact O-N 2.72Š|
| 242 | K | 45.8 | Very low | 43.6 | Very low | 192 Ų | 192 | 161 Ų | 161 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 135.4 | 167.7 | -66.6 | 179.2 | 178.9 | 178.5 | 0 | 109.9 | V240 H244 | V240-K242 PolarHBondContact O-N 3.33Å; K242-H244 PolarHBondContact O-N 2.97Å |
| 243 | P | 48.1 | Very low | 43.7 | Very low | 122 Ų | 122 | 166.6 Ų | 166.6 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64 | 126.2 | 172.7 | 25.3 | -32.2 | 0 | 0 | 0 | 110.2 | F245 | P243-F245 PolarHBondContact O-N 3.3Š|
| 244 | H | 43 | Very low | 44.1 | Very low | 162 Ų | 162 | 164.9 Ų | 164.9 | 75% | 0.75 | 81% | 0.808 | S | S | * | * | | | trans | -73.6 | 94.9 | -173.8 | -175 | -58.9 | 0 | 0 | 0 | 111 | K242 K246 | K242-H244 PolarHBondContact O-N 2.97Å; H244-K246 PolarHBondContact O-N 3.33Å |
| 245 | F | 44.7 | Very low | 44.1 | Very low | 190 Ų | 190 | 168.3 Ų | 168.3 | 83% | 0.833 | 81% | 0.808 | S | S | * | * | | | trans | -59.3 | 102.1 | 173.7 | -126 | -89.6 | 0 | 0 | 0 | 110 | P243 G247 | P243-F245 PolarHBondContact O-N 3.3Å; F245-G247 PolarHBondContact O-N 3.11Å |
| 246 | K | 53.9 | Low | 44.1 | Very low | 179 Ų | 179 | 167.9 Ų | 167.9 | 78% | 0.778 | 81% | 0.806 | S | S | * | * | | | trans | -70.7 | 119 | 174.6 | -71.1 | -167.2 | 177.8 | -175.1 | 0 | 108.2 | H244 V248 | H244-K246 PolarHBondContact O-N 3.33Å; K246-V248 PolarHBondContact O-N 2.91Å |
| 247 | G | 43.7 | Very low | 44.9 | Very low | 72 Ų | 72 | 167.9 Ų | 167.9 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | trans | -57.1 | 128.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F245 K249 | F245-G247 PolarHBondContact O-N 3.11Å; G247-K249 PolarHBondContact O-N 3.17Å |
| 248 | V | 47.8 | Very low | 45.2 | Very low | 129 Ų | 129 | 168.1 Ų | 168.1 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | | | trans | -66.2 | 106.5 | 170.3 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | K246 K250 | K246-V248 PolarHBondContact O-N 2.91Å; V248-K250 PolarHBondContact O-N 3.16Å |
| 249 | K | 51.8 | Low | 45.2 | Very low | 194 Ų | 194 | 169.1 Ų | 169.1 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | trans | -63.4 | 106.2 | 177.8 | -171.3 | 174 | -176.1 | 176.3 | 0 | 109.2 | G247 R251 | G247-K249 PolarHBondContact O-N 3.17Å; K249-R251 PolarHBondContact O-N 3.33Å |
| 250 | K | 49.8 | Very low | 45.1 | Very low | 196 Ų | 196 | 171.4 Ų | 171.4 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | | | trans | -51.7 | 113.3 | 174.7 | -70.1 | -175.6 | 177.1 | -178.2 | 0 | 109.3 | V248 K252 | V248-K250 PolarHBondContact O-N 3.16Å; K250-K252 PolarHBondContact O-N 3.46Å |
| 251 | R | 51.6 | Low | 45.5 | Very low | 231 Ų | 231 | 174.3 Ų | 174.3 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | | | trans | -68.9 | 113.3 | 166.8 | -81 | -174.6 | -77.9 | -163.3 | -3.2 | 107.4 | K249 W253 | K249-R251 PolarHBondContact O-N 3.33Å; R251-W253 PolarHBondContact O-N 3.35Å |
| 252 | K | 49.7 | Very low | 45.5 | Very low | 194 Ų | 194 | 168.7 Ų | 168.7 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 122 | 163.7 | -69.2 | -176.3 | 176.3 | -175.3 | 0 | 106.8 | K250 I254 | K250-K252 PolarHBondContact O-N 3.46Å; K252-I254 PolarHBondContact O-N 3.17Å |
| 253 | W | 37 | Very low | 45.3 | Very low | 251 Ų | 251 | 163.5 Ų | 163.5 | 95% | 0.951 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 118.4 | 165 | -68.5 | 91.3 | 0 | 0 | 0 | 107.3 | R251 | R251-W253 PolarHBondContact O-N 3.35Š|
| 254 | I | 44.9 | Very low | 44.9 | Very low | 153 Ų | 153 | 163.7 Ų | 163.7 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 124.6 | 166.6 | -60.5 | 176.6 | 0 | 0 | 0 | 105.4 | K252 D256 | K252-I254 PolarHBondContact O-N 3.17Å; I254-D256 PolarHBondContact O-N 3.17Å |
| 255 | Y | 32.7 | Very low | 44.5 | Very low | 202 Ų | 202 | 159 Ų | 159 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 117 | 171.7 | -166 | -90.7 | 0 | 0 | 0 | 107.5 | E257 | Y255-E257 HydrophobicContact CD1-CG 4.49Å; Y255-E257 PolarHBondContact O-N 3.31Å |
| 256 | D | 42.8 | Very low | 44.5 | Very low | 148 Ų | 148 | 158.5 Ų | 158.5 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | | | trans | -79.1 | 103.7 | 174.9 | -131 | -15.5 | 0 | 0 | 0 | 107.4 | I254 | I254-D256 PolarHBondContact O-N 3.17Š|
| 257 | E | 50 | Low | 43.7 | Very low | 155 Ų | 155 | 161.1 Ų | 161.1 | 72% | 0.724 | 82% | 0.816 | S | S | * | * | | | trans | -62 | 138 | 173.2 | -78.8 | -172.1 | 128.4 | 0 | 0 | 110.1 | Y255 K259 | Y255-E257 HydrophobicContact CD1-CG 4.49Å; Y255-E257 PolarHBondContact O-N 3.31Å; E257-K259 PolarHBondContact O-N 3.47Å |
| 258 | P | 45 | Very low | 43.8 | Very low | 110 Ų | 110 | 168.7 Ų | 168.7 | 71% | 0.714 | 82% | 0.823 | S | S | * | * | | | trans | -63.4 | 110 | 173.7 | 26.3 | -32.8 | 0 | 0 | 0 | 109.6 | N260 | P258-N260 PolarHBondContact O-N 3.25Š|
| 259 | K | 40.9 | Very low | 43.2 | Very low | 187 Ų | 187 | 168.7 Ų | 168.7 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | | | trans | -55.9 | 108.8 | 178.6 | -80.3 | 175.9 | 177.2 | 166.6 | 0 | 111.1 | E257 F261 | E257-K259 PolarHBondContact O-N 3.47Å; K259-F261 PolarHBondContact O-N 3.17Å |
| 260 | N | 44.1 | Very low | 42.7 | Very low | 153 Ų | 153 | 167.8 Ų | 167.8 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 132.1 | 158.5 | -74.7 | -75.5 | 0 | 0 | 0 | 108.9 | P258 | P258-N260 PolarHBondContact O-N 3.25Š|
| 261 | F | 43.9 | Very low | 42.2 | Very low | 201 Ų | 201 | 166 Ų | 166 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70 | 127.1 | 177.4 | -70 | -90.9 | 0 | 0 | 0 | 110.3 | K259 | K259-F261 PolarHBondContact O-N 3.17Š|
| 262 | P | 43.6 | Very low | 41.6 | Very low | 122 Ų | 122 | 160.6 Ų | 160.6 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 144.3 | 169.9 | 30.2 | -33.1 | 0 | 0 | 0 | 109.9 | S264 | P262-S264 PolarHBondContact O-N 2.84Š|
| 263 | G | 41.4 | Very low | 41.1 | Very low | 82 Ų | 82 | 156.8 Ų | 156.8 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 127.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 264 | S | 40 | Very low | 41.3 | Very low | 127 Ų | 127 | 150.6 Ų | 150.6 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 136.3 | 166.8 | -172 | 0 | 0 | 0 | 0 | 110.2 | P262 | P262-S264 PolarHBondContact O-N 2.84Š|
| 265 | G | 34.8 | Very low | 40.9 | Very low | 63 Ų | 63 | 151.9 Ų | 151.9 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 157.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R267 | G265-R267 PolarHBondContact O-N 3.32Š|
| 266 | M | 44.3 | Very low | 41.1 | Very low | 180 Ų | 180 | 149 Ų | 149 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | | | trans | -46.5 | 102.5 | 176.5 | -168.6 | 79.4 | 68.4 | 0 | 0 | 113.7 | | |
| 267 | R | 37.5 | Very low | 41 | Very low | 233 Ų | 233 | 151.5 Ų | 151.5 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | | | trans | -122 | 109.5 | 155.6 | -79.4 | -166.4 | 173.5 | -159.3 | -0.8 | 109.7 | G265 V269 | G265-R267 PolarHBondContact O-N 3.32Å; R267-V269 PolarHBondContact O-N 3.41Å |
| 268 | R | 45.8 | Very low | 41.1 | Very low | 232 Ų | 232 | 151.1 Ų | 151.1 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | | | trans | -64.3 | 112.6 | 173.3 | -71.8 | -177 | -77.1 | -149 | -3.3 | 109.2 | | |
| 269 | V | 35.3 | Very low | 40.5 | Very low | 128 Ų | 128 | 151.2 Ų | 151.2 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | -110 | 129 | 164 | 179.8 | 0 | 0 | 0 | 0 | 107.1 | R267 | R267-V269 PolarHBondContact O-N 3.41Š|
| 270 | H | 41.6 | Very low | 40.4 | Very low | 175 Ų | 175 | 152.9 Ų | 152.9 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 138.8 | -173.8 | -85.4 | -103.3 | 0 | 0 | 0 | 112.3 | P272 | H270-P272 WeakPolarHBondContact O-CD 3.35Š|
| 271 | I | 38.7 | Very low | 40.1 | Very low | 158 Ų | 158 | 153.8 Ų | 153.8 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 124.4 | 170.8 | -60.6 | 163.6 | 0 | 0 | 0 | 109.2 | | |
| 272 | P | 39.4 | Very low | 40.3 | Very low | 118 Ų | 118 | 152.7 Ų | 152.7 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 122.4 | 160.2 | -3 | 22.8 | 0 | 0 | 0 | 109.8 | H270 | H270-P272 WeakPolarHBondContact O-CD 3.35Š|
| 273 | N | 38.6 | Very low | 40 | Very low | 115 Ų | 115 | 153.4 Ų | 153.4 | 62% | 0.615 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 125 | -179.8 | 177.2 | -6.1 | 0 | 0 | 0 | 111.8 | K275 | N273-K275 PolarHBondContact O-N 3.26Š|
| 274 | P | 41.1 | Very low | 40.1 | Very low | 120 Ų | 120 | 155.3 Ų | 155.3 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | trans | -83.3 | 89.6 | 177 | 33.5 | -33.2 | 0 | 0 | 0 | 112 | H276 | P274-H276 PolarHBondContact O-N 2.97Š|
| 275 | K | 38.5 | Very low | 40.7 | Very low | 180 Ų | 180 | 157.4 Ų | 157.4 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | -84.3 | 90.2 | 170.6 | -73.3 | -170.9 | 178.5 | -179.2 | 0 | 112.4 | N273 | N273-K275 PolarHBondContact O-N 3.26Š|
| 276 | H | 36.6 | Very low | 41.3 | Very low | 143 Ų | 143 | 160.7 Ų | 160.7 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | | | trans | -4.1 | 117.2 | 144.6 | 171 | -65.2 | 0 | 0 | 0 | 116.8 | P274 M278 | P274-H276 PolarHBondContact O-N 2.97Å; H276-M278 VanDerWaalsContact CE1-CE 3.44Å; H276-M278 WeakPolarHBondContact CE1-CE 3.49Å; H276-M278 VanDerWaalsContact NE2-CE 3.33Å; H276-M278 WeakPolarHBondContact NE2-CE 3.38Å |
| 277 | K | 40.3 | Very low | 41.3 | Very low | 200 Ų | 200 | 163.3 Ų | 163.3 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | | | trans | -153.7 | 140.2 | 136.9 | -77.8 | -151.7 | 178.6 | -177.1 | 0 | 111.1 | | |
| 278 | M | 51.8 | Low | 41.6 | Very low | 147 Ų | 147 | 159.9 Ų | 159.9 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | | | trans | -79.3 | 150.1 | 176.3 | 8.9 | -70.9 | -158.3 | 0 | 0 | 111.9 | H276 | H276-M278 VanDerWaalsContact CE1-CE 3.44Å; H276-M278 WeakPolarHBondContact CE1-CE 3.49Å; H276-M278 VanDerWaalsContact NE2-CE 3.33Å; H276-M278 WeakPolarHBondContact NE2-CE 3.38Å |
| 279 | S | 33.1 | Very low | 41.3 | Very low | 112 Ų | 112 | 152.8 Ų | 152.8 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | | | trans | -154.7 | 119.6 | 155.1 | -169.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 280 | Y | 39.1 | Very low | 41.6 | Very low | 221 Ų | 221 | 154.8 Ų | 154.8 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | | | trans | -78.3 | 130.6 | 167.6 | -86.7 | -103.6 | 0 | 0 | 0 | 108.6 | | |
| 281 | H | 37.8 | Very low | 41.4 | Very low | 172 Ų | 172 | 153.6 Ų | 153.6 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | | | trans | -144.2 | 105.4 | 153 | -126 | -68.6 | 0 | 0 | 0 | 111.8 | | |
| 282 | H | 46.3 | Very low | 41.2 | Very low | 179 Ų | 179 | 151.2 Ų | 151.2 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | | | trans | -70.4 | 125.6 | 166.1 | -149.6 | -84 | 0 | 0 | 0 | 107.4 | | |
| 283 | H | 38.1 | Very low | 41.3 | Very low | 136 Ų | 136 | 151.2 Ų | 151.2 | 63% | 0.63 | 77% | 0.771 | S | S | * | * | | | trans | -128 | 90.6 | 167.9 | -153.3 | -20 | 0 | 0 | 0 | 111.1 | K285 | H283-K285 WeakPolarHBondContact CE1-CE 3.34Å; H283-K285 VanDerWaalsContact CE1-CG 3.48Å; H283-K285 WeakPolarHBondContact CE1-CG 3.41Å; H283-K285 WeakPolarHBondContact ND1-CG 3.38Å; H283-K285 WeakPolarHBondContact NE2-CE 3.44Å |
| 284 | N | 44 | Very low | 41 | Very low | 123 Ų | 123 | 154.7 Ų | 154.7 | 66% | 0.658 | 78% | 0.777 | S | S | * | * | | | trans | -65.2 | 130.7 | 158.9 | 177.8 | -7.2 | 0 | 0 | 0 | 108.3 | N286 | N284-N286 PolarHBondContact OD1-N 3.48Å; N284-N286 VanDerWaalsContact OD1-N 3.08Å |
| 285 | K | 52 | Low | 40.9 | Very low | 171 Ų | 171 | 155.4 Ų | 155.4 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | trans | -128.5 | 72.7 | 167.7 | -74.6 | -162 | 177.4 | -177.1 | 0 | 111.4 | H283 R287 | H283-K285 WeakPolarHBondContact CE1-CE 3.34Å; H283-K285 VanDerWaalsContact CE1-CG 3.48Å; H283-K285 WeakPolarHBondContact CE1-CG 3.41Å; H283-K285 WeakPolarHBondContact ND1-CG 3.38Å; H283-K285 WeakPolarHBondContact NE2-CE 3.44Å; K285-R287 PolarHBondContact O-N 3.49Å |
| 286 | N | 48 | Very low | 40.8 | Very low | 132 Ų | 132 | 154.3 Ų | 154.3 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | trans | -57.5 | 115.5 | 145 | 161.2 | 8.3 | 0 | 0 | 0 | 109.6 | N284 | N284-N286 PolarHBondContact OD1-N 3.48Å; N284-N286 VanDerWaalsContact OD1-N 3.08Å |
| 287 | R | 44.6 | Very low | 40.9 | Very low | 235 Ų | 235 | 151.6 Ų | 151.6 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | | | trans | -165.5 | 118.9 | 132 | -123 | 178.3 | 174.8 | 178.9 | -2.9 | 112.1 | K285 | K285-R287 PolarHBondContact O-N 3.49Š|
| 288 | N | 43.1 | Very low | 41 | Very low | 160 Ų | 160 | 148.3 Ų | 148.3 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | | | trans | -76.1 | 145.9 | 168 | -65.6 | -22.5 | 0 | 0 | 0 | 110.7 | | |
| 289 | A | 39.4 | Very low | 40.2 | Very low | 84 Ų | 84 | 153 Ų | 153 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | | | trans | -162.2 | 114.6 | 143.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 290 | E | 42.2 | Very low | 40.4 | Very low | 169 Ų | 169 | 155.8 Ų | 155.8 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | 72 | 119.8 | 137 | -68.6 | 171.4 | -150.1 | 0 | 0 | 122.8 | | |
| 291 | N | 36.1 | Very low | 40.3 | Very low | 151 Ų | 151 | 149.7 Ų | 149.7 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | trans | 73.7 | 96.5 | 136.8 | -56.7 | -23.1 | 0 | 0 | 0 | 121.2 | | |
| 292 | A | 34.5 | Very low | 40.2 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | | | | -156.5 | 136.8 | 123.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 293 | S | 43.2 | Very low | 39.9 | Very low | 117 Ų | 117 | 150.6 Ų | 150.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -93 | 139.5 | -172.9 | 53.5 | 0 | 0 | 0 | 0 | 114 | | |
| 294 | Y | 32 | Very low | 39.8 | Very low | 189 Ų | 189 | 151 Ų | 151 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | | | trans | -162.9 | 115.8 | 135.6 | -161.9 | -122.1 | 0 | 0 | 0 | 111.7 | H296 | Y294-H296 AromaticContact CE1-CD2 3.54Å; Y294-H296 AromaticContact CE1-NE2 3.33Å; Y294-H296 VanDerWaalsContact CE1-NE2 3.33Å; Y294-H296 WeakPolarHBondContact CE1-NE2 3.14Å; Y294-H296 AromaticContact CZ-NE2 3.81Å; Y294-H296 PolarHBondContact OH-CE1 2.98Å |
| 295 | T | 37.6 | Very low | 39.5 | Very low | 134 Ų | 134 | 150.7 Ų | 150.7 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | | | trans | -110.8 | 128 | 174.5 | 33.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 296 | H | 37.6 | Very low | 38.4 | Very low | 158 Ų | 158 | 149.7 Ų | 149.7 | 73% | 0.731 | 82% | 0.816 | S | S | * | * | | | trans | -96.4 | 120.9 | 159.9 | -90 | -64.1 | 0 | 0 | 0 | 109.5 | Y294 | Y294-H296 AromaticContact CE1-CD2 3.54Å; Y294-H296 AromaticContact CE1-NE2 3.33Å; Y294-H296 VanDerWaalsContact CE1-NE2 3.33Å; Y294-H296 WeakPolarHBondContact CE1-NE2 3.14Å; Y294-H296 AromaticContact CZ-NE2 3.81Å; Y294-H296 PolarHBondContact OH-CE1 2.98Å |
| 297 | A | 39.2 | Very low | 38.1 | Very low | 86 Ų | 86 | 150.1 Ų | 150.1 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | | | trans | -106.8 | 137.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 298 | P | 40.6 | Very low | 37.5 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 142.4 | 156.2 | -6.3 | 24.7 | 0 | 0 | 0 | 109.5 | | |
| 299 | R | 36.6 | Very low | 37.1 | Very low | 244 Ų | 244 | 143.2 Ų | 143.2 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 134.9 | 177.3 | -72.8 | -178.7 | 170.9 | -176.7 | -3 | 111.3 | | |
| 300 | D | 36.3 | Very low | 37.5 | Very low | 172 Ų | 172 | 145 Ų | 145 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 127.3 | 158.4 | -87.1 | -38.7 | 0 | 0 | 0 | 110.9 | | |
| 301 | A | 38 | Very low | 38.3 | Very low | 92 Ų | 92 | 142 Ų | 142 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | | | trans | -169.1 | 139 | 166.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 302 | V | 34.8 | Very low | 38.1 | Very low | 139 Ų | 139 | 146.4 Ų | 146.4 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | | | cis | -148.4 | 155.9 | 20.6 | 172.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 303 | R | 40.4 | Very low | 37.9 | Very low | 231 Ų | 231 | 147.1 Ų | 147.1 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | | | trans | -86.9 | 148.4 | 169.6 | -69.8 | -178.8 | 172.4 | 113.1 | -2.6 | 112.5 | | |
| 304 | T | 35.1 | Very low | 37.7 | Very low | 145 Ų | 145 | 152.4 Ų | 152.4 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | | | trans | -124 | 150.4 | 152.8 | 45.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 305 | V | 37.8 | Very low | 38.3 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 71% | 0.709 | 82% | 0.815 | S | S | * | * | | | trans | -115.8 | 142.5 | -172.2 | 170.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 306 | T | 30.2 | Very low | 38.1 | Very low | 149 Ų | 149 | 148.2 Ų | 148.2 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | | | trans | -142.5 | 148.7 | 154.3 | -2.6 | 0 | 0 | 0 | 0 | 111 | | |
| 307 | L | 41.4 | Very low | 37.8 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | | | trans | -93.6 | 151.9 | -166.2 | -64.1 | 151.4 | 0 | 0 | 0 | 112.4 | | |
| 308 | N | 31.8 | Very low | 37.4 | Very low | 161 Ų | 161 | 152.9 Ų | 152.9 | 86% | 0.861 | 82% | 0.823 | S | S | * | * | | | | 157.8 | 148.3 | 119.2 | -77.6 | -39.4 | 0 | 0 | 0 | 114 | | |
| 309 | A | 34.2 | Very low | 37.2 | Very low | 89 Ų | 89 | 152 Ų | 152 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | | | trans | -129.7 | -175.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 310 | P | 48.6 | Very low | 37.1 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | | | cis | -139 | -127.7 | 13.3 | 31.3 | -1.6 | 0 | 0 | 0 | 114.6 | | |
| 311 | P | 57.4 | Low | 37.1 | Very low | 106 Ų | 106 | 149.1 Ų | 149.1 | 69% | 0.688 | 81% | 0.809 | S | S | * | * | | | | -133.5 | -167.7 | -106.4 | 43.1 | -23.9 | 0 | 0 | 0 | 117.4 | | |
| 312 | R | 31.7 | Very low | 37.2 | Very low | 243 Ų | 243 | 153.6 Ų | 153.6 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | | | trans | 94.5 | 129.6 | 168.7 | -59.7 | 173 | 171.8 | -120.1 | -0.8 | 115.4 | | |
| 313 | S | 31.3 | Very low | 37.2 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | | -164 | 157.8 | 67.5 | 56 | 0 | 0 | 0 | 0 | 115.7 | | |
| 314 | R | 39.2 | Very low | 36.7 | Very low | 229 Ų | 229 | 146.5 Ų | 146.5 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | -125.7 | 148 | 160.5 | -143.7 | -167.2 | -166.9 | -163.8 | 5.7 | 105.3 | | |
| 315 | P | 45.4 | Very low | 37.1 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | | -154.4 | 149.2 | 85.7 | 38.8 | -17.4 | 0 | 0 | 0 | 115.6 | | |
| 316 | T | 33 | Very low | 36.9 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | | 81.5 | 116.5 | 98.7 | -56.7 | 0 | 0 | 0 | 0 | 119.1 | | |
| 317 | S | 30.6 | Very low | 37.1 | Very low | 114 Ų | 114 | 150.2 Ų | 150.2 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | trans | -166.9 | 116.6 | 148.1 | -160.1 | 0 | 0 | 0 | 0 | 105.9 | | |
| 318 | R | 31.8 | Very low | 36.8 | Very low | 228 Ų | 228 | 152 Ų | 152 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | | 41.4 | 135.1 | 65.4 | -101.9 | -177.2 | 178.6 | -177.9 | -0.4 | 113.1 | | |
| 319 | S | 34.7 | Very low | 37.5 | Very low | 111 Ų | 111 | 149.4 Ų | 149.4 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | cis | -150.2 | -179.2 | 22.1 | 51.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 320 | Y | 34.6 | Very low | 37.7 | Very low | 188 Ų | 188 | 153.5 Ų | 153.5 | 74% | 0.737 | 79% | 0.794 | S | S | * | * | | | trans | -68.6 | 163 | -175.9 | -77.7 | -106.9 | 0 | 0 | 0 | 116 | | |
| 321 | N | 37.1 | Very low | 37 | Very low | 168 Ų | 168 | 155.7 Ų | 155.7 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | | | | -152.4 | 157.4 | 118.8 | -94.6 | -30.1 | 0 | 0 | 0 | 113.4 | | |
| 322 | K | 39.2 | Very low | 36 | Very low | 186 Ų | 186 | 157.7 Ų | 157.7 | 81% | 0.809 | 80% | 0.804 | S | S | * | * | | | trans | -114.4 | 177.4 | -177.6 | -84.5 | -162.9 | 179 | -167.4 | 0 | 108.8 | | |
| 323 | A | 35.1 | Very low | 36.2 | Very low | 78 Ų | 78 | 153.9 Ų | 153.9 | 65% | 0.645 | 80% | 0.8 | S | S | * | * | | | cis | -168.2 | -157.3 | -23.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 324 | D | 30.5 | Very low | 36.4 | Very low | 144 Ų | 144 | 153.5 Ų | 153.5 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | 74.1 | 125.8 | 176.3 | -56.6 | -33.8 | 0 | 0 | 0 | 116.6 | | |
| 325 | V | 42.6 | Very low | 36.8 | Very low | 127 Ų | 127 | 148.4 Ų | 148.4 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | | | cis | 88.5 | 100 | 23 | -172.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 326 | N | 33.4 | Very low | 36.2 | Very low | 159 Ų | 159 | 148.6 Ų | 148.6 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | | | trans | -151.3 | 154.8 | 163.5 | 34.6 | -28.8 | 0 | 0 | 0 | 110.6 | | |
| 327 | K | 36.3 | Very low | 36.7 | Very low | 202 Ų | 202 | 150.5 Ų | 150.5 | 88% | 0.878 | 79% | 0.786 | S | S | * | * | | | trans | -101.4 | 161.3 | -149.1 | -58.5 | 176.7 | 178.7 | 179.2 | 0 | 115.7 | | |
| 328 | E | 34.6 | Very low | 36.8 | Very low | 179 Ų | 179 | 154.2 Ų | 154.2 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | | | trans | -48.9 | 169.6 | 154.9 | -81.4 | -167.8 | 127.7 | 0 | 0 | 114.1 | | |
| 329 | P | 46.2 | Very low | 37 | Very low | 107 Ų | 107 | 151.9 Ų | 151.9 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | | | cis | -152 | 172.3 | 32.7 | 42.9 | -21.1 | 0 | 0 | 0 | 121.3 | | |
| 330 | K | 39.2 | Very low | 37 | Very low | 175 Ų | 175 | 152 Ų | 152 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | | | trans | 31.7 | 130.7 | 145.2 | -67.2 | 174.8 | 178.9 | 171.8 | 0 | 122.1 | | |
| 331 | L | 32.7 | Very low | 36.9 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | | | trans | -137.7 | 138.5 | 134.1 | -77.8 | -179.3 | 0 | 0 | 0 | 111.1 | | |
| 332 | N | 36.8 | Very low | 36.9 | Very low | 149 Ų | 149 | 146.3 Ų | 146.3 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | -98.9 | 135.7 | 167.9 | -65.4 | -80.1 | 0 | 0 | 0 | 108.8 | | |
| 333 | L | 35.3 | Very low | 36.5 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | | | trans | -139.4 | 129.6 | 155.5 | -85.6 | 104 | 0 | 0 | 0 | 110.2 | | |
| 334 | C | 35.4 | Very low | 36.8 | Very low | 115 Ų | 115 | 150 Ų | 150 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | | | trans | -108.1 | 142.9 | 163.5 | 178.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 335 | P | 48.3 | Very low | 37.3 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | | | trans | -125.8 | 149.3 | 141.3 | 35.1 | -26.4 | 0 | 0 | 0 | 113 | | |
| 336 | D | 32.5 | Very low | 37.3 | Very low | 116 Ų | 116 | 144.9 Ų | 144.9 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | | | trans | -82 | 164.2 | -174.2 | -172.8 | 16.2 | 0 | 0 | 0 | 112.7 | | |
| 337 | K | 44.5 | Very low | 38.1 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | | | trans | 52.3 | 100.7 | 166.8 | -69.8 | 140.7 | -175.2 | 148.4 | 0 | 118.5 | | |
| 338 | H | 31.6 | Very low | 38.3 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 88% | 0.884 | 78% | 0.784 | S | S | * | * | | | | -144.1 | 135.2 | 123.1 | -115.1 | 55.3 | 0 | 0 | 0 | 111.2 | | |
| 339 | M | 35.8 | Very low | 38.8 | Very low | 179 Ų | 179 | 145.8 Ų | 145.8 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | | | trans | -75.4 | 133.6 | 176 | -61.2 | -163.3 | 76.4 | 0 | 0 | 109.7 | | |
| 340 | S | 36.5 | Very low | 38.8 | Very low | 115 Ų | 115 | 151.2 Ų | 151.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -135 | 107 | 165.4 | -79.6 | 0 | 0 | 0 | 0 | 108.7 | S342 | S340-S342 PolarHBondContact O-N 2.74Š|
| 341 | T | 32.5 | Very low | 39.1 | Very low | 133 Ų | 133 | 154 Ų | 154 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | | | trans | -61.9 | 103.6 | -175.9 | -43.7 | 0 | 0 | 0 | 0 | 110 | Y343 | T341-Y343 PolarHBondContact O-N 3.37Š|
| 342 | S | 35.3 | Very low | 39.9 | Very low | 103 Ų | 103 | 152.7 Ų | 152.7 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | trans | -65.7 | 104.6 | 168.6 | 48 | 0 | 0 | 0 | 0 | 108.8 | S340 N344 | S340-S342 PolarHBondContact O-N 2.74Å; S342-N344 PolarHBondContact O-N 3.19Å |
| 343 | Y | 31 | Very low | 40.7 | Very low | 215 Ų | 215 | 149.7 Ų | 149.7 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | | | trans | -68.7 | 103 | 178.6 | -159.4 | -91 | 0 | 0 | 0 | 109.1 | T341 G345 | T341-Y343 PolarHBondContact O-N 3.37Å; Y343-G345 PolarHBondContact O-N 3.02Å; Y343-G345 VanDerWaalsContact O-N 3.11Å |
| 344 | N | 41.9 | Very low | 41 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 67% | 0.674 | 78% | 0.775 | S | S | * | * | | | trans | -54.7 | 117.1 | 175.5 | -98.5 | -45.8 | 0 | 0 | 0 | 109.8 | S342 S346 | S342-N344 PolarHBondContact O-N 3.19Å; N344-S346 PolarHBondContact O-N 3.03Å; N344-S346 PolarHBondContact O-OG 3.38Å |
| 345 | G | 41.8 | Very low | 41.3 | Very low | 84 Ų | 84 | 151 Ų | 151 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | | | trans | -63.9 | 73.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y343 | Y343-G345 PolarHBondContact O-N 3.02Å; Y343-G345 VanDerWaalsContact O-N 3.11Å |
| 346 | S | 41.9 | Very low | 41.2 | Very low | 79 Ų | 79 | 154 Ų | 154 | 55% | 0.552 | 78% | 0.779 | S | S | * | * | | | trans | -81.9 | 120.6 | -169 | -58.4 | 0 | 0 | 0 | 0 | 109.9 | N344 W348 | N344-S346 PolarHBondContact O-N 3.03Å; N344-S346 PolarHBondContact O-OG 3.38Å; S346-W348 VanDerWaalsContact O-CD1 3.23Å; S346-W348 PolarHBondContact O-N 3.23Å |
| 347 | A | 50.8 | Low | 41.8 | Very low | 96 Ų | 96 | 154.6 Ų | 154.6 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | | | trans | -58.6 | 110.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R349 | A347-R349 PolarHBondContact O-N 3.32Š|
| 348 | W | 39.6 | Very low | 41.5 | Very low | 244 Ų | 244 | 157.6 Ų | 157.6 | 92% | 0.924 | 80% | 0.796 | S | S | * | * | | | trans | -75.8 | 73.2 | 170.6 | -76.9 | 82.9 | 0 | 0 | 0 | 110.8 | S346 R350 | S346-W348 VanDerWaalsContact O-CD1 3.23Å; S346-W348 PolarHBondContact O-N 3.23Å; W348-R350 PolarHBondContact O-N 2.95Å |
| 349 | R | 44.3 | Very low | 42.2 | Very low | 220 Ų | 220 | 153.6 Ų | 153.6 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | | | trans | -61.5 | 105.5 | 166.9 | -164.2 | -172 | -149.5 | -75.5 | 4.1 | 107.9 | A347 R351 | A347-R349 PolarHBondContact O-N 3.32Å; R349-R351 PolarHBondContact O-N 3.09Å |
| 350 | R | 47.5 | Very low | 42.7 | Very low | 220 Ų | 220 | 154.8 Ų | 154.8 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | | | trans | -51.5 | 106.5 | 177.5 | -70.9 | 171.3 | 67.3 | 163.2 | 0.4 | 110.3 | W348 | W348-R350 PolarHBondContact O-N 2.95Š|
| 351 | R | 44.4 | Very low | 43.3 | Very low | 234 Ų | 234 | 155.1 Ų | 155.1 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | | | trans | -91.4 | 112.9 | 159.4 | -81 | -166.9 | -72 | -140.5 | -1.5 | 107.6 | R349 P353 | R349-R351 PolarHBondContact O-N 3.09Å; R351-P353 WeakPolarHBondContact O-CD 3.43Å |
| 352 | I | 50.8 | Low | 43.8 | Very low | 140 Ų | 140 | 157 Ų | 157 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | | | trans | -87.3 | 115.4 | 168.9 | -59.6 | 169 | 0 | 0 | 0 | 106.5 | | |
| 353 | P | 52.9 | Low | 44.4 | Very low | 87 Ų | 87 | 161.2 Ų | 161.2 | 57% | 0.565 | 79% | 0.792 | S | S | * | * | | | trans | -80.3 | 164.2 | 162.1 | 32.8 | -30.6 | 0 | 0 | 0 | 110.5 | R351 | R351-P353 WeakPolarHBondContact O-CD 3.43Š|
| 354 | F | 41.5 | Very low | 45.3 | Very low | 183 Ų | 183 | 156.7 Ų | 156.7 | 80% | 0.803 | 79% | 0.786 | S | S | * | * | | | trans | 82.4 | 66.4 | 174 | -42.6 | -59.7 | 0 | 0 | 0 | 118.1 | | |
| 355 | S | 42.4 | Very low | 45.2 | Very low | 121 Ų | 121 | 160.8 Ų | 160.8 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | -82.7 | 99.4 | 141.3 | 56.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 356 | K | 46.2 | Very low | 45.7 | Very low | 184 Ų | 184 | 162 Ų | 162 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | | | trans | -85 | 122.3 | 162.5 | -81.5 | -173.4 | 177.4 | 178.7 | 0 | 108.8 | Y358 | K356-Y358 PolarHBondContact O-N 2.91Š|
| 357 | T | 43.9 | Very low | 46.1 | Very low | 129 Ų | 129 | 166.9 Ų | 166.9 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | -69.1 | 120.1 | 173.9 | 45.5 | 0 | 0 | 0 | 0 | 110.4 | S359 | T357-S359 PolarHBondContact O-N 3.36Š|
| 358 | Y | 39.5 | Very low | 46 | Very low | 226 Ų | 226 | 168 Ų | 168 | 89% | 0.886 | 80% | 0.799 | S | S | * | * | | | trans | -79.4 | 108.8 | 166.1 | -90.6 | -92.5 | 0 | 0 | 0 | 109.9 | K356 K360 | K356-Y358 PolarHBondContact O-N 2.91Å; Y358-K360 PolarHBondContact O-N 3.02Å; Y358-K360 VanDerWaalsContact O-N 3.15Å |
| 359 | S | 45.9 | Very low | 46.5 | Very low | 107 Ų | 107 | 167.4 Ų | 167.4 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | trans | -66.7 | 106.7 | 168.8 | -44.5 | 0 | 0 | 0 | 0 | 109.1 | T357 T361 | T357-S359 PolarHBondContact O-N 3.36Å; S359-T361 PolarHBondContact O-N 3.06Å; S359-T361 VanDerWaalsContact O-N 3.16Å |
| 360 | K | 46.9 | Very low | 46.7 | Very low | 205 Ų | 205 | 168.7 Ų | 168.7 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | | | trans | -70.9 | 108.1 | 174.2 | -174.1 | 177.8 | -178.5 | -178.3 | 0 | 108.8 | Y358 E362 | Y358-K360 PolarHBondContact O-N 3.02Å; Y358-K360 VanDerWaalsContact O-N 3.15Å; K360-E362 PolarHBondContact O-N 3.27Å |
| 361 | T | 48.3 | Very low | 46.6 | Very low | 122 Ų | 122 | 165.5 Ų | 165.5 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | trans | -71.7 | 118.3 | 171.8 | 40.6 | 0 | 0 | 0 | 0 | 109.9 | S359 K363 | S359-T361 PolarHBondContact O-N 3.06Å; S359-T361 VanDerWaalsContact O-N 3.16Å; T361-K363 PolarHBondContact O-N 3.01Å |
| 362 | E | 42.8 | Very low | 46.4 | Very low | 172 Ų | 172 | 158.1 Ų | 158.1 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -75.2 | 104.8 | 177 | -174.6 | 172.7 | -174.3 | 0 | 0 | 109.6 | K360 V364 | K360-E362 PolarHBondContact O-N 3.27Å; E362-V364 HydrophobicContact CG-CG2 4.43Å; E362-V364 PolarHBondContact O-N 3.42Å |
| 363 | K | 48.6 | Very low | 46 | Very low | 192 Ų | 192 | 157.2 Ų | 157.2 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | -89.7 | 97.5 | 165.9 | -74 | -164.8 | 176.3 | -174.4 | 0 | 109 | T361 Y365 | T361-K363 PolarHBondContact O-N 3.01Å; K363-Y365 PolarHBondContact O-N 3.23Å |
| 364 | V | 48.3 | Very low | 45.4 | Very low | 119 Ų | 119 | 166.6 Ų | 166.6 | 72% | 0.721 | 84% | 0.836 | S | S | * | * | | | trans | -57.1 | 123.1 | 167.1 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | E362 | E362-V364 HydrophobicContact CG-CG2 4.43Å; E362-V364 PolarHBondContact O-N 3.42Å |
| 365 | Y | 41 | Very low | 45.6 | Very low | 213 Ų | 213 | 165.8 Ų | 165.8 | 84% | 0.835 | 84% | 0.838 | S | S | * | * | | | trans | -106.9 | 128.9 | 169.1 | -139.2 | -85.1 | 0 | 0 | 0 | 107.9 | K363 | K363-Y365 PolarHBondContact O-N 3.23Š|
| 366 | P | 52 | Low | 45.8 | Very low | 108 Ų | 108 | 168.2 Ų | 168.2 | 70% | 0.701 | 84% | 0.837 | S | S | * | * | | | trans | -68.7 | 136.1 | -178 | 26.8 | -33.2 | 0 | 0 | 0 | 111.4 | | |
| 367 | E | 49.6 | Very low | 45.8 | Very low | 183 Ų | 183 | 167.3 Ų | 167.3 | 86% | 0.855 | 84% | 0.839 | S | S | * | * | | | trans | -70.3 | 130.5 | -174.4 | -166.5 | 170 | -141.9 | 0 | 0 | 112 | R369 | E367-R369 PolarHBondContact O-N 3.48Å; E367-R369 VanDerWaalsContact O-N 3.09Å |
| 368 | P | 48.9 | Very low | 45.9 | Very low | 118 Ų | 118 | 169.5 Ų | 169.5 | 77% | 0.766 | 84% | 0.842 | S | S | * | * | | | trans | -71.7 | 106.1 | 177.2 | -16.4 | 30.5 | 0 | 0 | 0 | 111.1 | R370 | P368-R370 PolarHBondContact O-N 3.2Š|
| 369 | R | 50 | Low | 46.3 | Very low | 233 Ų | 233 | 166 Ų | 166 | 88% | 0.879 | 84% | 0.84 | S | S | * | * | | | trans | -58.5 | 105 | 169.7 | -81.1 | -174 | 167.8 | 163.5 | -2.5 | 110.7 | E367 N371 | E367-R369 PolarHBondContact O-N 3.48Å; E367-R369 VanDerWaalsContact O-N 3.09Å; R369-N371 PolarHBondContact O-N 3.31Å |
| 370 | R | 48.8 | Very low | 46.3 | Very low | 246 Ų | 246 | 169.9 Ų | 169.9 | 93% | 0.928 | 85% | 0.846 | S | S | * | * | | | trans | -83 | 103.1 | 160.1 | -80.5 | -168.8 | 172.5 | -172.2 | -1.3 | 109.4 | P368 | P368-R370 PolarHBondContact O-N 3.2Š|
| 371 | N | 46.6 | Very low | 46.3 | Very low | 154 Ų | 154 | 167.4 Ų | 167.4 | 82% | 0.824 | 84% | 0.842 | S | S | * | * | | | trans | -65 | 141.6 | 161.6 | -62.7 | -24.8 | 0 | 0 | 0 | 109.2 | R369 | R369-N371 PolarHBondContact O-N 3.31Š|
| 372 | G | 39.9 | Very low | 46.1 | Very low | 79 Ų | 79 | 170.9 Ų | 170.9 | 81% | 0.814 | 85% | 0.85 | S | S | * | * | | | trans | 143.4 | 84 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 373 | S | 41.7 | Very low | 46.4 | Very low | 121 Ų | 121 | 170.8 Ų | 170.8 | 85% | 0.846 | 85% | 0.853 | S | S | * | * | | | trans | -176.9 | 98 | 130.7 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 374 | K | 41.6 | Very low | 46.2 | Very low | 284 Ų | 284 | 168.9 Ų | 168.9 | 100% | 1.235 | 86% | 0.855 | S | S | * | * | | | trans | -165.1 | 0 | 139.9 | -109.8 | 178.3 | -177.4 | -177.6 | 0 | 108.8 | | |