| 1 | M | 39.5 | Very low | 65.3 | Low | 237 Ų | 237 | 116.6 Ų | 116.6 | 100% | 1.167 | 61% | 0.614 | S | S | * | * | | | | 0 | 103.1 | 0 | -78.5 | 170.1 | -178.4 | 0 | 0 | 106.9 | M3 | M1-M3 PolarHBondContact O-N 3.42Š|
| 2 | E | 44.7 | Very low | 67.3 | Low | 187 Ų | 187 | 117.9 Ų | 117.9 | 87% | 0.874 | 61% | 0.611 | S | S | * | * | | | trans | -60.6 | 117.6 | 169.3 | -76.3 | 174.4 | 137.8 | 0 | 0 | 107.6 | Q4 | E2-Q4 PolarHBondContact O-N 3.37Š|
| 3 | M | 48.6 | Very low | 69.2 | Low | 168 Ų | 168 | 120.5 Ų | 120.5 | 83% | 0.828 | 61% | 0.608 | S | S | * | * | | | trans | -76.6 | 73.3 | 170.6 | -68.9 | -159.3 | 177.8 | 0 | 0 | 107.8 | M1 Q5 | M1-M3 PolarHBondContact O-N 3.42Å; M3-Q5 HydrophobicContact CB-CG 4.47Å; M3-Q5 PolarHBondContact O-N 3.34Å |
| 4 | Q | 52.9 | Low | 70.6 | Confident | 127 Ų | 127 | 114.1 Ų | 114.1 | 59% | 0.593 | 58% | 0.575 | S | S | * | * | | | trans | -72.6 | 75.3 | 166.4 | -147.2 | 179.8 | -7.8 | 0 | 0 | 106.8 | E2 N6 | E2-Q4 PolarHBondContact O-N 3.37Å; Q4-N6 VanDerWaalsContact C-N 3.29Å; Q4-N6 WeakPolarHBondContact CG-OD1 3.27Å; Q4-N6 PolarHBondContact O-N 3.1Å; Q4-N6 PolarHBondContact O-OD1 3.26Å |
| 5 | Q | 57.3 | Low | 71.5 | Confident | 119 Ų | 119 | 114.3 Ų | 114.3 | 56% | 0.556 | 59% | 0.585 | S | S | * | * | | | trans | -75.4 | 93.6 | 171.2 | -70.9 | -145.4 | -4.4 | 0 | 0 | 107.2 | M3 C7 | M3-Q5 HydrophobicContact CB-CG 4.47Å; M3-Q5 PolarHBondContact O-N 3.34Å; Q5-C7 PolarHBondContact O-N 2.95Å |
| 6 | N | 61.8 | Low | 72.5 | Confident | 101 Ų | 101 | 111.5 Ų | 111.5 | 54% | 0.54 | 57% | 0.569 | S | S | . | * | | | trans | -71.7 | 72.7 | 170.1 | -58.6 | 1 | 0 | 0 | 0 | 107.6 | Q4 S8 | Q4-N6 VanDerWaalsContact C-N 3.29Å; Q4-N6 WeakPolarHBondContact CG-OD1 3.27Å; Q4-N6 PolarHBondContact O-N 3.1Å; Q4-N6 PolarHBondContact O-OD1 3.26Å; N6-S8 PolarHBondContact O-N 2.93Å |
| 7 | C | 67.6 | Low | 73.1 | Confident | 34 Ų | 34 | 112.6 Ų | 112.6 | 23% | 0.23 | 59% | 0.585 | C | S | . | * | | | trans | -66.8 | 132 | 167.6 | -70.1 | 0 | 0 | 0 | 0 | 107.8 | Q5 I9 I26 Y28 | Q5-C7 PolarHBondContact O-N 2.95Å; C7-I9 PolarHBondContact O-N 3.37Å; C7-I26 WeakPolarHBondContact CB-O 2.95Å; C7-I26 PolarHBondContact SG-O 3.28Å; C7-Y28 WeakPolarHBondContact O-CB 3.27Å |
| 8 | S | 77.9 | Confident | 73.6 | Confident | 119 Ų | 119 | 114.9 Ų | 114.9 | 83% | 0.832 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -77.5 | -8.6 | 173.9 | 53.1 | 0 | 0 | 0 | 0 | 113 | N6 | N6-S8 PolarHBondContact O-N 2.93Š|
| 9 | I | 87.1 | Confident | 74.4 | Confident | 107 Ų | 107 | 110.2 Ų | 110.2 | 55% | 0.549 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -91 | 123.9 | -175.4 | -55.8 | 168 | 0 | 0 | 0 | 109.1 | C7 F27 Y28 | C7-I9 PolarHBondContact O-N 3.37Å; I9-F27 HydrophobicContact CB-CD1 4.23Å; I9-F27 HydrophobicContact CG2-CD1 4.1Å; I9-F27 HydrophobicContact CG2-CE1 4.34Å; I9-Y28 VanDerWaalsContact O-CB 3.32Å; I9-Y28 WeakPolarHBondContact O-CB 3.42Å; I9-Y28 PolarHBondContact O-N 3.48Å |
| 10 | S | 88.8 | Confident | 75.2 | Confident | 81 Ų | 81 | 105.3 Ų | 105.3 | 57% | 0.566 | 55% | 0.554 | S | S | * | * | B | Isolated β-bridge | trans | -61.6 | 145.1 | 176.3 | 55.6 | 0 | 0 | 0 | 0 | 112.4 | F12 Y28 | S10-F12 PolarHBondContact O-N 2.74Å; S10-Y28 CarbonylContact C-O 3.53Å |
| 11 | C | 91.8 | Very high | 75.9 | Confident | 3 Ų | 3 | 105.2 Ų | 105.2 | 2% | 0.02 | 56% | 0.558 | C | S | . | * | P | Polyproline II helix | trans | -73.1 | 117.2 | 175 | -172.7 | 0 | 0 | 0 | 0 | 109.8 | W13 E14 C20 F27 Y28 H29 | C11-W13 PolarHBondContact O-N 3.35Å; C11-E14 HydrophobicContact CB-CB 4.28Å; C11-E14 VanDerWaalsContact O-CB 3.27Å; C11-E14 WeakPolarHBondContact O-CB 3.09Å; C11-E14 PolarHBondContact O-N 3.07Å; C11-C20 VanDerWaalsContact SG-SG 3.69Å; C11-F27 HydrophobicContact CB-CB 3.68Å; C11-Y28 WeakPolarHBondContact CB-O 3.42Å; C11-Y28 PolarHBondContact N-O 3.43Å; C11-H29 WeakPolarHBondContact CB-CE1 3.41Å; C11-H29 PolarHBondContact SG-CE1 3.45Å |
| 12 | F | 89.6 | Confident | 78.3 | Confident | 132 Ų | 132 | 99.9 Ų | 99.9 | 58% | 0.579 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -53.5 | -36.3 | 174.2 | 176.3 | -99.5 | 0 | 0 | 0 | 113.4 | S10 E14 T15 Q16 | S10-F12 PolarHBondContact O-N 2.74Å; F12-E14 PolarHBondContact O-N 2.78Å; F12-T15 PolarHBondContact O-OG1 3.19Å; F12-T15 VanDerWaalsContact O-OG1 3.08Å; F12-Q16 HydrophobicContact CE1-CG 4.49Å |
| 13 | W | 91.5 | Very high | 80.2 | Confident | 151 Ų | 151 | 95.1 Ų | 95.1 | 57% | 0.572 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -75.8 | -9.5 | -178.4 | -62.6 | 101.3 | 0 | 0 | 0 | 113.6 | C11 T15 Q16 G19 C20 | C11-W13 PolarHBondContact O-N 3.35Å; W13-T15 VanDerWaalsContact C-N 3.28Å; W13-T15 PolarHBondContact O-N 3.46Å; W13-Q16 HydrophobicContact CE3-CB 4.18Å; W13-Q16 HydrophobicContact CE3-CG 3.66Å; W13-Q16 HydrophobicContact CZ3-CG 4.12Å; W13-Q16 PolarHBondContact O-N 3.38Å; W13-G19 CarbonylContact O-C 3.59Å; W13-G19 WeakPolarHBondContact O-CA 3.1Å; W13-C20 HydrophobicContact CB-CB 3.9Å; W13-C20 PolarHBondContact O-N 2.86Å |
| 14 | E | 89 | Confident | 82 | Confident | 31 Ų | 31 | 91.3 Ų | 91.3 | 15% | 0.145 | 50% | 0.498 | C | S | . | . | G | 310 helix | trans | -68.7 | -28.2 | 176.4 | -171.3 | 176.9 | 177.3 | 0 | 0 | 112.6 | C11 F12 Q16 H29 S30 K31 | C11-E14 HydrophobicContact CB-CB 4.28Å; C11-E14 VanDerWaalsContact O-CB 3.27Å; C11-E14 WeakPolarHBondContact O-CB 3.09Å; C11-E14 PolarHBondContact O-N 3.07Å; F12-E14 PolarHBondContact O-N 2.78Å; E14-Q16 VanDerWaalsContact C-N 3.33Å; E14-H29 VanDerWaalsContact OE2-CA 3.27Å; E14-H29 WeakPolarHBondContact OE2-CA 3.48Å; E14-H29 IonicContact OE2-ND1 3.61Å; E14-S30 WeakPolarHBondContact OE1-CA 3.27Å; E14-S30 WeakPolarHBondContact OE1-CB 3.24Å; E14-S30 PolarHBondContact OE1-N 2.84Å; E14-S30 PolarHBondContact OE1-OG 3.23Å; E14-S30 PolarHBondContact OE2-N 3.03Å; E14-S30 VanDerWaalsContact OE2-N 3.13Å; E14-K31 WeakPolarHBondContact OE1-CB 3.42Å; E14-K31 PolarHBondContact OE1-N 3.1Å |
| 15 | T | 84.6 | Confident | 83.7 | Confident | 118 Ų | 118 | 86.3 Ų | 86.3 | 72% | 0.724 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -87.3 | -4.3 | 177.8 | 58.4 | 0 | 0 | 0 | 0 | 113.2 | F12 W13 | F12-T15 PolarHBondContact O-OG1 3.19Å; F12-T15 VanDerWaalsContact O-OG1 3.08Å; W13-T15 VanDerWaalsContact C-N 3.28Å; W13-T15 PolarHBondContact O-N 3.46Å |
| 16 | Q | 88.1 | Confident | 85.1 | Confident | 69 Ų | 69 | 84.8 Ų | 84.8 | 32% | 0.322 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -82.8 | 150.8 | -179.9 | -63 | -62.1 | -25.2 | 0 | 0 | 110.4 | F12 W13 E14 L18 G19 | F12-Q16 HydrophobicContact CE1-CG 4.49Å; W13-Q16 HydrophobicContact CE3-CB 4.18Å; W13-Q16 HydrophobicContact CE3-CG 3.66Å; W13-Q16 HydrophobicContact CZ3-CG 4.12Å; W13-Q16 PolarHBondContact O-N 3.38Å; E14-Q16 VanDerWaalsContact C-N 3.33Å; Q16-L18 PolarHBondContact O-N 2.87Å; Q16-L18 VanDerWaalsContact O-N 3.17Å; Q16-G19 PolarHBondContact O-N 3.08Å |
| 17 | P | 81.2 | Confident | 86.4 | Confident | 130 Ų | 130 | 84.2 Ų | 84.2 | 84% | 0.844 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -29.9 | -177.9 | 22.4 | -33.3 | 0 | 0 | 0 | 113.1 | G19 | P17-G19 VanDerWaalsContact C-N 3.35Š|
| 18 | L | 83.5 | Confident | 87.4 | Confident | 155 Ų | 155 | 86 Ų | 86 | 81% | 0.812 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -11.7 | 175.9 | -64.2 | 176.8 | 0 | 0 | 0 | 113.5 | Q16 | Q16-L18 PolarHBondContact O-N 2.87Å; Q16-L18 VanDerWaalsContact O-N 3.17Å |
| 19 | G | 87.7 | Confident | 88 | Confident | 25 Ų | 25 | 80.6 Ų | 80.6 | 26% | 0.258 | 43% | 0.428 | S | S | . | . | | | trans | 62.9 | -177.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | W13 Q16 P17 V21 | W13-G19 CarbonylContact O-C 3.59Å; W13-G19 WeakPolarHBondContact O-CA 3.1Å; Q16-G19 PolarHBondContact O-N 3.08Å; P17-G19 VanDerWaalsContact C-N 3.35Å; G19-V21 PolarHBondContact O-N 3.46Å |
| 20 | C | 91.1 | Very high | 88 | Confident | 11 Ų | 11 | 78.5 Ų | 78.5 | 7% | 0.074 | 42% | 0.423 | C | S | . | . | | | trans | -85.8 | 109.2 | 175.3 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | C11 W13 C25 H29 R33 | C11-C20 VanDerWaalsContact SG-SG 3.69Å; W13-C20 HydrophobicContact CB-CB 3.9Å; W13-C20 PolarHBondContact O-N 2.86Å; C20-C25 VanDerWaalsContact SG-SG 3.64Å; C20-H29 WeakPolarHBondContact CB-CE1 3.47Å; C20-R33 WeakPolarHBondContact O-CD 3.2Å; C20-R33 PolarHBondContact O-NH1 3.22Å |
| 21 | V | 90.4 | Very high | 87.9 | Confident | 104 Ų | 104 | 81 Ų | 81 | 63% | 0.63 | 42% | 0.424 | S | S | * | . | | | trans | -85.2 | -4.4 | 179 | -60.9 | 0 | 0 | 0 | 0 | 114.3 | G19 I23 I35 | G19-V21 PolarHBondContact O-N 3.46Å; V21-I23 PolarHBondContact O-N 3.32Å; V21-I35 WeakPolarHBondContact O-CD1 3.42Å |
| 22 | K | 88.7 | Confident | 87.7 | Confident | 126 Ų | 126 | 84.1 Ų | 84.1 | 55% | 0.548 | 44% | 0.444 | S | S | . | . | | | trans | -79.5 | 109.5 | -179 | -171 | 173.3 | -178.4 | 174.6 | 0 | 109.8 | S24 C25 R33 | K22-S24 VanDerWaalsContact C-N 3.35Å; K22-S24 PolarHBondContact O-N 3.29Å; K22-C25 HydrophobicContact CB-CB 4.32Å; K22-C25 WeakPolarHBondContact O-CB 3.4Å; K22-C25 PolarHBondContact O-N 2.97Å; K22-C25 VanDerWaalsContact O-N 3.12Å; K22-R33 PolarHBondContact O-NH1 2.75Å; K22-R33 PolarHBondContact O-NH2 2.84Å |
| 23 | I | 85.9 | Confident | 87.7 | Confident | 86 Ų | 86 | 79.3 Ų | 79.3 | 44% | 0.441 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -53.2 | -178.2 | -60.4 | 171.6 | 0 | 0 | 0 | 110.4 | V21 C25 R33 I35 L38 L40 | V21-I23 PolarHBondContact O-N 3.32Å; I23-C25 VanDerWaalsContact C-N 3.3Å; I23-C25 PolarHBondContact O-N 3.19Å; I23-R33 PolarHBondContact O-NH2 2.89Å; I23-I35 HydrophobicContact CD1-CG2 4.29Å; I23-I35 HydrophobicContact CG1-CB 4.23Å; I23-I35 HydrophobicContact CG1-CD1 4.16Å; I23-I35 HydrophobicContact CG1-CG2 3.76Å; I23-L38 HydrophobicContact CG2-CD2 3.93Å; I23-L40 HydrophobicContact CB-CD1 4.47Å; I23-L40 HydrophobicContact CG2-CD1 4.08Å; I23-L40 HydrophobicContact CG2-CD2 4.48Å; I23-L40 WeakPolarHBondContact O-CD1 3.2Å |
| 24 | S | 84.9 | Confident | 87.5 | Confident | 88 Ų | 88 | 77.6 Ų | 77.6 | 62% | 0.615 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 52.6 | 174.8 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | K22 I26 | K22-S24 VanDerWaalsContact C-N 3.35Å; K22-S24 PolarHBondContact O-N 3.29Å; S24-I26 PolarHBondContact O-N 3.31Å |
| 25 | C | 88.6 | Confident | 87.4 | Confident | 23 Ų | 23 | 76.8 Ų | 76.8 | 16% | 0.155 | 42% | 0.421 | C | S | . | . | | | trans | -67.7 | 125.3 | 169.9 | -167.6 | 0 | 0 | 0 | 0 | 109.2 | C20 K22 I23 F27 H29 | C20-C25 VanDerWaalsContact SG-SG 3.64Å; K22-C25 HydrophobicContact CB-CB 4.32Å; K22-C25 WeakPolarHBondContact O-CB 3.4Å; K22-C25 PolarHBondContact O-N 2.97Å; K22-C25 VanDerWaalsContact O-N 3.12Å; I23-C25 VanDerWaalsContact C-N 3.3Å; I23-C25 PolarHBondContact O-N 3.19Å; C25-F27 VanDerWaalsContact C-N 3.27Å; C25-H29 WeakPolarHBondContact CB-NE2 3.43Å; C25-H29 PolarHBondContact SG-NE2 2.85Å |
| 26 | I | 88.2 | Confident | 87.5 | Confident | 87 Ų | 87 | 78.7 Ų | 78.7 | 45% | 0.446 | 43% | 0.426 | S | S | . | . | | | trans | -78.5 | -15.7 | 177.7 | 60.1 | 171.4 | 0 | 0 | 0 | 112.3 | C7 S24 | C7-I26 WeakPolarHBondContact CB-O 2.95Å; C7-I26 PolarHBondContact SG-O 3.28Å; S24-I26 PolarHBondContact O-N 3.31Å |
| 27 | F | 88.3 | Confident | 87.4 | Confident | 88 Ų | 88 | 78.4 Ų | 78.4 | 39% | 0.386 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -85 | 157 | -177.8 | -62.4 | -75 | 0 | 0 | 0 | 111.5 | I9 C11 C25 H29 | I9-F27 HydrophobicContact CB-CD1 4.23Å; I9-F27 HydrophobicContact CG2-CD1 4.1Å; I9-F27 HydrophobicContact CG2-CE1 4.34Å; C11-F27 HydrophobicContact CB-CB 3.68Å; C25-F27 VanDerWaalsContact C-N 3.27Å; F27-H29 PolarHBondContact O-CD2 3.25Å; F27-H29 VanDerWaalsContact O-CD2 3.3Å |
| 28 | Y | 88.8 | Confident | 87.6 | Confident | 73 Ų | 73 | 76.2 Ų | 76.2 | 29% | 0.286 | 42% | 0.423 | S | S | . | . | B | Isolated β-bridge | trans | -66.8 | 133.9 | -179.7 | 179.4 | -89.8 | 0 | 0 | 0 | 111.9 | C7 I9 S10 C11 S43 S44 | C7-Y28 WeakPolarHBondContact O-CB 3.27Å; I9-Y28 VanDerWaalsContact O-CB 3.32Å; I9-Y28 WeakPolarHBondContact O-CB 3.42Å; I9-Y28 PolarHBondContact O-N 3.48Å; S10-Y28 CarbonylContact C-O 3.53Å; C11-Y28 WeakPolarHBondContact CB-O 3.42Å; C11-Y28 PolarHBondContact N-O 3.43Å; Y28-S43 VanDerWaalsContact CA-OG 3.26Å; Y28-S43 WeakPolarHBondContact CA-OG 3.34Å; Y28-S43 WeakPolarHBondContact CD2-OG 2.95Å; Y28-S43 WeakPolarHBondContact CE2-OG 3.47Å; Y28-S44 WeakPolarHBondContact CE2-OG 3.26Å; Y28-S44 PolarHBondContact OH-OG 2.77Å |
| 29 | H | 89.9 | Confident | 87.9 | Confident | 4 Ų | 4 | 75.2 Ų | 75.2 | 2% | 0.019 | 41% | 0.412 | C | S | . | . | | | trans | -118.1 | 118.3 | 173.7 | -72.3 | -65.3 | 0 | 0 | 0 | 111.2 | C11 E14 C20 C25 F27 R33 P42 S43 | C11-H29 WeakPolarHBondContact CB-CE1 3.41Å; C11-H29 PolarHBondContact SG-CE1 3.45Å; E14-H29 VanDerWaalsContact OE2-CA 3.27Å; E14-H29 WeakPolarHBondContact OE2-CA 3.48Å; E14-H29 IonicContact OE2-ND1 3.61Å; C20-H29 WeakPolarHBondContact CB-CE1 3.47Å; C25-H29 WeakPolarHBondContact CB-NE2 3.43Å; C25-H29 PolarHBondContact SG-NE2 2.85Å; F27-H29 PolarHBondContact O-CD2 3.25Å; F27-H29 VanDerWaalsContact O-CD2 3.3Å; H29-R33 PolarHBondContact CD2-NE 3.15Å; H29-P42 CarbonylContact O-C 3.59Å; H29-P42 WeakPolarHBondContact O-CA 3.35Å; H29-P42 WeakPolarHBondContact O-CB 3.39Å; H29-S43 PolarHBondContact N-OG 2.83Å; H29-S43 PolarHBondContact O-N 3.37Å; H29-S43 PolarHBondContact O-OG 3.3Å |
| 30 | S | 86.4 | Confident | 87.8 | Confident | 63 Ų | 63 | 75.4 Ų | 75.4 | 44% | 0.441 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -79.2 | -27.3 | 176.4 | 70.3 | 0 | 0 | 0 | 0 | 113 | E14 P42 | E14-S30 WeakPolarHBondContact OE1-CA 3.27Å; E14-S30 WeakPolarHBondContact OE1-CB 3.24Å; E14-S30 PolarHBondContact OE1-N 2.84Å; E14-S30 PolarHBondContact OE1-OG 3.23Å; E14-S30 PolarHBondContact OE2-N 3.03Å; E14-S30 VanDerWaalsContact OE2-N 3.13Å; S30-P42 WeakPolarHBondContact O-CB 3.32Å |
| 31 | K | 86.6 | Confident | 87.6 | Confident | 134 Ų | 134 | 78.9 Ų | 78.9 | 58% | 0.583 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -108.1 | 146.7 | -177.8 | -64.5 | 168.8 | -173.6 | 175.8 | 0 | 111.3 | E14 | E14-K31 WeakPolarHBondContact OE1-CB 3.42Å; E14-K31 PolarHBondContact OE1-N 3.1Å |
| 32 | P | 87.7 | Confident | 87.4 | Confident | 69 Ų | 69 | 76.2 Ų | 76.2 | 45% | 0.448 | 42% | 0.415 | S | S | . | . | | | trans | -62.7 | 151 | 170 | 27 | -32.3 | 0 | 0 | 0 | 110.3 | F39 L40 | P32-F39 HydrophobicContact CB-CD2 4.48Å; P32-F39 HydrophobicContact CB-CE1 4.33Å; P32-F39 HydrophobicContact CB-CE2 3.5Å; P32-F39 HydrophobicContact CB-CZ 3.41Å; P32-F39 VanDerWaalsContact CB-CZ 3.41Å; P32-F39 HydrophobicContact CG-CE2 4.2Å; P32-F39 HydrophobicContact CG-CZ 4.18Å; P32-L40 CarbonylContact C-O 3.53Å; P32-L40 VanDerWaalsContact CA-O 3.27Å; P32-L40 WeakPolarHBondContact CA-O 3.11Å |
| 33 | R | 89.7 | Confident | 87 | Confident | 30 Ų | 30 | 72.4 Ų | 72.4 | 11% | 0.113 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 140.9 | -179.6 | -58.7 | -178 | -67.6 | 137.5 | -1.4 | 109.8 | C20 K22 I23 H29 I35 F39 L40 | C20-R33 WeakPolarHBondContact O-CD 3.2Å; C20-R33 PolarHBondContact O-NH1 3.22Å; K22-R33 PolarHBondContact O-NH1 2.75Å; K22-R33 PolarHBondContact O-NH2 2.84Å; I23-R33 PolarHBondContact O-NH2 2.89Å; H29-R33 PolarHBondContact CD2-NE 3.15Å; R33-I35 HydrophobicContact CB-CD1 4.46Å; R33-F39 CarbonylContact O-C 3.06Å; R33-F39 WeakPolarHBondContact O-CA 3.32Å; R33-L40 HydrophobicContact CB-CB 4.38Å; R33-L40 PolarHBondContact N-O 2.98Å; R33-L40 PolarHBondContact O-N 3.45Å |
| 34 | N | 87.3 | Confident | 85.9 | Confident | 115 Ų | 115 | 70.8 Ų | 70.8 | 62% | 0.615 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 115.1 | 168.3 | -170.1 | -53.8 | 0 | 0 | 0 | 108 | G37 L38 | N34-G37 WeakPolarHBondContact OD1-CA 3.42Å; N34-G37 PolarHBondContact OD1-N 3.47Å; N34-L38 WeakPolarHBondContact CA-O 3.31Å |
| 35 | I | 88.4 | Confident | 84.1 | Confident | 14 Ų | 14 | 73.6 Ų | 73.6 | 7% | 0.072 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 115.6 | 179.9 | -59.1 | 162.7 | 0 | 0 | 0 | 107.5 | V21 I23 R33 G37 L38 L40 | V21-I35 WeakPolarHBondContact O-CD1 3.42Å; I23-I35 HydrophobicContact CD1-CG2 4.29Å; I23-I35 HydrophobicContact CG1-CB 4.23Å; I23-I35 HydrophobicContact CG1-CD1 4.16Å; I23-I35 HydrophobicContact CG1-CG2 3.76Å; R33-I35 HydrophobicContact CB-CD1 4.46Å; I35-G37 PolarHBondContact O-N 2.85Å; I35-L38 PolarHBondContact N-O 3.45Å; I35-L38 VanDerWaalsContact O-CB 3.25Å; I35-L38 WeakPolarHBondContact O-CB 3.36Å; I35-L38 PolarHBondContact O-N 3.1Å; I35-L40 HydrophobicContact CD1-CD1 3.79Å |
| 36 | N | 85.5 | Confident | 81.8 | Confident | 158 Ų | 158 | 76.5 Ų | 76.5 | 85% | 0.845 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 37.2 | -179.6 | -56.5 | -20.7 | 0 | 0 | 0 | 113.1 | L38 | N36-L38 PolarHBondContact O-N 2.66Š|
| 37 | G | 86.2 | Confident | 79.3 | Confident | 64 Ų | 64 | 78.5 Ų | 78.5 | 66% | 0.66 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | -5.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N34 I35 | N34-G37 WeakPolarHBondContact OD1-CA 3.42Å; N34-G37 PolarHBondContact OD1-N 3.47Å; I35-G37 PolarHBondContact O-N 2.85Å |
| 38 | L | 86.5 | Confident | 76.8 | Confident | 84 Ų | 84 | 81.1 Ų | 81.1 | 44% | 0.44 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 115.8 | 173.8 | -173.8 | 65.5 | 0 | 0 | 0 | 110 | I23 N34 I35 N36 L40 | I23-L38 HydrophobicContact CG2-CD2 3.93Å; N34-L38 WeakPolarHBondContact CA-O 3.31Å; I35-L38 PolarHBondContact N-O 3.45Å; I35-L38 VanDerWaalsContact O-CB 3.25Å; I35-L38 WeakPolarHBondContact O-CB 3.36Å; I35-L38 PolarHBondContact O-N 3.1Å; N36-L38 PolarHBondContact O-N 2.66Å; L38-L40 HydrophobicContact CD2-CD2 3.76Å; L38-L40 HydrophobicContact CD2-CG 4.42Å; L38-L40 HydrophobicContact CG-CD2 3.94Å; L38-L40 HydrophobicContact CG-CG 4.39Å |
| 39 | F | 88.4 | Confident | 74.1 | Confident | 133 Ų | 133 | 85.5 Ų | 85.5 | 58% | 0.583 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 117.9 | 171.6 | -176.2 | -96.2 | 0 | 0 | 0 | 110.1 | P32 R33 | P32-F39 HydrophobicContact CB-CD2 4.48Å; P32-F39 HydrophobicContact CB-CE1 4.33Å; P32-F39 HydrophobicContact CB-CE2 3.5Å; P32-F39 HydrophobicContact CB-CZ 3.41Å; P32-F39 VanDerWaalsContact CB-CZ 3.41Å; P32-F39 HydrophobicContact CG-CE2 4.2Å; P32-F39 HydrophobicContact CG-CZ 4.18Å; R33-F39 CarbonylContact O-C 3.06Å; R33-F39 WeakPolarHBondContact O-CA 3.32Å |
| 40 | L | 87.1 | Confident | 71.7 | Confident | 29 Ų | 29 | 93.9 Ų | 93.9 | 15% | 0.152 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.6 | 174.2 | -60.2 | 178 | 0 | 0 | 0 | 108.7 | I23 P32 R33 I35 L38 | I23-L40 HydrophobicContact CB-CD1 4.47Å; I23-L40 HydrophobicContact CG2-CD1 4.08Å; I23-L40 HydrophobicContact CG2-CD2 4.48Å; I23-L40 WeakPolarHBondContact O-CD1 3.2Å; P32-L40 CarbonylContact C-O 3.53Å; P32-L40 VanDerWaalsContact CA-O 3.27Å; P32-L40 WeakPolarHBondContact CA-O 3.11Å; R33-L40 HydrophobicContact CB-CB 4.38Å; R33-L40 PolarHBondContact N-O 2.98Å; R33-L40 PolarHBondContact O-N 3.45Å; I35-L40 HydrophobicContact CD1-CD1 3.79Å; L38-L40 HydrophobicContact CD2-CD2 3.76Å; L38-L40 HydrophobicContact CD2-CG 4.42Å; L38-L40 HydrophobicContact CG-CD2 3.94Å; L38-L40 HydrophobicContact CG-CG 4.39Å |
| 41 | P | 85.3 | Confident | 69 | Low | 85 Ų | 85 | 98.6 Ų | 98.6 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | | | trans | -66 | 162.3 | 176.6 | 29.2 | -34.7 | 0 | 0 | 0 | 111.3 | | |
| 42 | P | 87.5 | Confident | 66.7 | Low | 47 Ų | 47 | 96.9 Ų | 96.9 | 31% | 0.305 | 54% | 0.538 | S | S | . | . | | | trans | -51 | 149.7 | 166.7 | -24 | 34.2 | 0 | 0 | 0 | 111.4 | H29 S30 S44 | H29-P42 CarbonylContact O-C 3.59Å; H29-P42 WeakPolarHBondContact O-CA 3.35Å; H29-P42 WeakPolarHBondContact O-CB 3.39Å; S30-P42 WeakPolarHBondContact O-CB 3.32Å; P42-S44 PolarHBondContact O-N 3.46Å; P42-S44 VanDerWaalsContact O-N 3.1Å |
| 43 | S | 78.8 | Confident | 64.1 | Low | 47 Ų | 47 | 103 Ų | 103 | 33% | 0.329 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -76.9 | 9.6 | -176.2 | 63.6 | 0 | 0 | 0 | 0 | 114.4 | Y28 H29 | Y28-S43 VanDerWaalsContact CA-OG 3.26Å; Y28-S43 WeakPolarHBondContact CA-OG 3.34Å; Y28-S43 WeakPolarHBondContact CD2-OG 2.95Å; Y28-S43 WeakPolarHBondContact CE2-OG 3.47Å; H29-S43 PolarHBondContact N-OG 2.83Å; H29-S43 PolarHBondContact O-N 3.37Å; H29-S43 PolarHBondContact O-OG 3.3Å |
| 44 | S | 63.9 | Low | 61.5 | Low | 52 Ų | 52 | 110.5 Ų | 110.5 | 36% | 0.364 | 60% | 0.597 | S | S | . | * | | | trans | -151.6 | 124.9 | 166.5 | 65.2 | 0 | 0 | 0 | 0 | 114.2 | Y28 P42 | Y28-S44 WeakPolarHBondContact CE2-OG 3.26Å; Y28-S44 PolarHBondContact OH-OG 2.77Å; P42-S44 PolarHBondContact O-N 3.46Å; P42-S44 VanDerWaalsContact O-N 3.1Å |
| 45 | N | 47.3 | Very low | 58.7 | Low | 146 Ų | 146 | 108 Ų | 108 | 78% | 0.781 | 60% | 0.599 | S | S | * | * | | | trans | -149.4 | 54.1 | 135.6 | 61.7 | -23.9 | 0 | 0 | 0 | 109.3 | T47 | N45-T47 PolarHBondContact O-N 3.23Å; N45-T47 VanDerWaalsContact O-N 3.08Å |
| 46 | T | 40.9 | Very low | 55.8 | Low | 85 Ų | 85 | 112.9 Ų | 112.9 | 52% | 0.521 | 64% | 0.635 | S | S | . | * | | | trans | -77.9 | 77.8 | 154 | 43.8 | 0 | 0 | 0 | 0 | 107.8 | L48 | T46-L48 PolarHBondContact O-N 3.39Š|
| 47 | T | 34.6 | Very low | 53.9 | Low | 129 Ų | 129 | 111.3 Ų | 111.3 | 79% | 0.791 | 63% | 0.633 | S | S | * | * | | | trans | -58.9 | 93.9 | 140.1 | 15.1 | 0 | 0 | 0 | 0 | 104.7 | N45 Q49 | N45-T47 PolarHBondContact O-N 3.23Å; N45-T47 VanDerWaalsContact O-N 3.08Å; T47-Q49 PolarHBondContact O-N 3.13Å |
| 48 | L | 35.5 | Very low | 51.3 | Low | 143 Ų | 143 | 114 Ų | 114 | 75% | 0.749 | 64% | 0.642 | S | S | * | * | | | trans | -51.1 | 95.7 | 158.2 | -171.2 | 84.5 | 0 | 0 | 0 | 105.1 | T46 K50 | T46-L48 PolarHBondContact O-N 3.39Å; L48-K50 HydrophobicContact CD2-CB 4.01Å; L48-K50 HydrophobicContact CG-CB 4.26Å; L48-K50 PolarHBondContact O-N 2.92Å |
| 49 | Q | 32.6 | Very low | 49.4 | Very low | 165 Ų | 165 | 115.6 Ų | 115.6 | 77% | 0.771 | 66% | 0.657 | S | S | * | * | | | trans | -59.2 | 80.1 | 152.4 | -81.9 | -86.5 | 11.3 | 0 | 0 | 104.7 | T47 E51 | T47-Q49 PolarHBondContact O-N 3.13Å; Q49-E51 PolarHBondContact O-N 2.84Å |
| 50 | K | 38.6 | Very low | 46.5 | Very low | 180 Ų | 180 | 115.4 Ų | 115.4 | 78% | 0.783 | 67% | 0.667 | S | S | * | * | | | trans | -72.1 | 69.4 | 156.4 | -172.2 | 178.3 | 178.8 | -177.3 | 0 | 104.4 | L48 S52 | L48-K50 HydrophobicContact CD2-CB 4.01Å; L48-K50 HydrophobicContact CG-CB 4.26Å; L48-K50 PolarHBondContact O-N 2.92Å; K50-S52 PolarHBondContact O-N 2.62Å |
| 51 | E | 29.6 | Very low | 43.8 | Very low | 162 Ų | 162 | 122.1 Ų | 122.1 | 76% | 0.757 | 70% | 0.697 | S | S | * | * | | | trans | -63.7 | 120.6 | 164.1 | -170.5 | 170.6 | -177.5 | 0 | 0 | 105.6 | Q49 Q53 | Q49-E51 PolarHBondContact O-N 2.84Å; E51-Q53 PolarHBondContact O-N 3.26Å; E51-Q53 VanDerWaalsContact O-N 3.1Å |
| 52 | S | 39.8 | Very low | 41.2 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 68% | 0.678 | 70% | 0.704 | S | S | * | * | | | trans | -57 | 109.7 | -178.9 | -167.6 | 0 | 0 | 0 | 0 | 109.9 | K50 | K50-S52 PolarHBondContact O-N 2.62Š|
| 53 | Q | 33.5 | Very low | 38.7 | Very low | 197 Ų | 197 | 128.8 Ų | 128.8 | 92% | 0.921 | 73% | 0.728 | S | S | * | * | | | trans | -111.4 | 90.4 | 151.7 | -79.9 | -144.8 | -29.8 | 0 | 0 | 108.8 | E51 | E51-Q53 PolarHBondContact O-N 3.26Å; E51-Q53 VanDerWaalsContact O-N 3.1Å |
| 54 | E | 34.9 | Very low | 36.3 | Very low | 188 Ų | 188 | 134.3 Ų | 134.3 | 88% | 0.879 | 75% | 0.749 | S | S | * | * | | | trans | -70.9 | 117.9 | 153.2 | -174.6 | 168.2 | 177.7 | 0 | 0 | 107.7 | | |
| 55 | G | 28.3 | Very low | 35 | Very low | 63 Ų | 63 | 136 Ų | 136 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | | | trans | 162.4 | 73.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 56 | S | 26.7 | Very low | 34.4 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | 37.2 | 136.9 | 152.8 | 62.9 | 0 | 0 | 0 | 0 | 122.9 | | |
| 57 | P | 45.7 | Very low | 34.1 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | | | trans | -97 | 157.3 | 178.7 | 38.6 | -32.2 | 0 | 0 | 0 | 114.3 | | |
| 58 | S | 32.1 | Very low | 34.1 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | | | trans | -170.7 | 158.6 | 132.1 | 53.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 59 | P | 46.5 | Very low | 34.2 | Very low | 117 Ų | 117 | 142 Ų | 142 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | trans | -119.4 | -167 | -150.5 | 41.6 | -26.9 | 0 | 0 | 0 | 114.4 | | |
| 60 | T | 27.1 | Very low | 34.6 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | 103.5 | 124.3 | 169.6 | -36.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 61 | Q | 30.6 | Very low | 34.9 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | | | | -173.7 | 146.5 | 55.1 | -163 | 165.7 | -1.7 | 0 | 0 | 112.2 | | |
| 62 | S | 31.7 | Very low | 35.4 | Very low | 100 Ų | 100 | 138.4 Ų | 138.4 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | trans | 64.2 | 116.2 | 155.9 | 55.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 63 | Q | 33.8 | Very low | 35.8 | Very low | 173 Ų | 173 | 139.5 Ų | 139.5 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | | | | 43.1 | 129 | 80.4 | -80.1 | -169.6 | -75.4 | 0 | 0 | 112.2 | | |
| 64 | E | 28.8 | Very low | 36.7 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | | | cis | -165.7 | 168.4 | 22.5 | -164.6 | 153.4 | 125.2 | 0 | 0 | 108.5 | | |
| 65 | S | 35.4 | Very low | 37.4 | Very low | 87 Ų | 87 | 137.8 Ų | 137.8 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | | | trans | -67.1 | 153 | -166.7 | 55.2 | 0 | 0 | 0 | 0 | 118.8 | | |
| 66 | L | 36.2 | Very low | 38.3 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | | | | 152.6 | 112.4 | 111 | -79.4 | 177.2 | 0 | 0 | 0 | 112.9 | | |
| 67 | K | 34.5 | Very low | 39.7 | Very low | 197 Ų | 197 | 144.3 Ų | 144.3 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | | | | 155.3 | 128.6 | 123.9 | -85.3 | 171 | -175.4 | 179.9 | 0 | 111.3 | | |
| 68 | P | 35.2 | Very low | 40 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | trans | -86.7 | 125 | 166.5 | 32.5 | -25 | 0 | 0 | 0 | 109.1 | | |
| 69 | M | 35.9 | Very low | 41.1 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | | | trans | -93.2 | 104.5 | 163.9 | -156.6 | -163.3 | 153.9 | 0 | 0 | 107.8 | N71 | M69-N71 VanDerWaalsContact CE-ND2 3.34Å; M69-N71 WeakPolarHBondContact CE-ND2 3.21Å; M69-N71 WeakPolarHBondContact CE-OD1 3.27Å; M69-N71 PolarHBondContact O-N 2.77Å; M69-N71 PolarHBondContact SD-ND2 3.5Å |
| 70 | E | 42.6 | Very low | 41.3 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | | | trans | -62.9 | 106.9 | 174.3 | -66 | 176.5 | 144.8 | 0 | 0 | 110 | | |
| 71 | N | 44.8 | Very low | 42.7 | Very low | 116 Ų | 116 | 147 Ų | 147 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | | | trans | -137.5 | 73.9 | 165.1 | -58.2 | -59.5 | 0 | 0 | 0 | 109 | M69 | M69-N71 VanDerWaalsContact CE-ND2 3.34Å; M69-N71 WeakPolarHBondContact CE-ND2 3.21Å; M69-N71 WeakPolarHBondContact CE-OD1 3.27Å; M69-N71 PolarHBondContact O-N 2.77Å; M69-N71 PolarHBondContact SD-ND2 3.5Å |
| 72 | V | 38.4 | Very low | 43.7 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | | | trans | -125.2 | 97.1 | 158.4 | -162.9 | 0 | 0 | 0 | 0 | 106.4 | R74 | V72-R74 PolarHBondContact O-N 2.96Å; V72-R74 VanDerWaalsContact O-N 3.1Å |
| 73 | S | 48.9 | Very low | 44.4 | Very low | 119 Ų | 119 | 150.2 Ų | 150.2 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -51.8 | 114.8 | 173.5 | -48.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 74 | R | 53 | Low | 45.1 | Very low | 223 Ų | 223 | 147.6 Ų | 147.6 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | | | trans | -71.2 | 134.5 | 169.7 | -64.1 | -178 | -179.7 | -153.3 | 1.1 | 108.2 | V72 I76 | V72-R74 PolarHBondContact O-N 2.96Å; V72-R74 VanDerWaalsContact O-N 3.1Å; R74-I76 PolarHBondContact O-N 3.14Å |
| 75 | P | 48.2 | Very low | 45.8 | Very low | 127 Ų | 127 | 146.9 Ų | 146.9 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | -65.2 | 110.4 | 167.1 | -17.4 | 30.7 | 0 | 0 | 0 | 108.9 | H77 | P75-H77 VanDerWaalsContact C-N 3.35Å; P75-H77 PolarHBondContact O-N 3.06Å; P75-H77 VanDerWaalsContact O-N 3.14Å |
| 76 | I | 49.1 | Very low | 46.3 | Very low | 144 Ų | 144 | 152 Ų | 152 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | | | trans | -76.8 | 92.2 | 166.5 | -57.2 | 170 | 0 | 0 | 0 | 106 | R74 | R74-I76 PolarHBondContact O-N 3.14Š|
| 77 | H | 55 | Low | 46.8 | Very low | 173 Ų | 173 | 153 Ų | 153 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | | | trans | -128.4 | 119.2 | 157.2 | -124.2 | -80.6 | 0 | 0 | 0 | 108.2 | P75 | P75-H77 VanDerWaalsContact C-N 3.35Å; P75-H77 PolarHBondContact O-N 3.06Å; P75-H77 VanDerWaalsContact O-N 3.14Å |
| 78 | H | 52.7 | Low | 47.4 | Very low | 150 Ų | 150 | 151.5 Ų | 151.5 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | | | trans | -68.2 | 135.3 | 174.4 | -70 | -98.5 | 0 | 0 | 0 | 109 | L80 | H78-L80 PolarHBondContact O-N 3.16Š|
| 79 | P | 53.8 | Low | 48.1 | Very low | 117 Ų | 117 | 154.5 Ų | 154.5 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | | | trans | -66.4 | 119.5 | 172.5 | 26.1 | -30.8 | 0 | 0 | 0 | 108.8 | V81 | P79-V81 PolarHBondContact O-N 3.36Š|
| 80 | L | 51.8 | Low | 48.8 | Very low | 158 Ų | 158 | 154.3 Ų | 154.3 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | | | trans | -72.5 | 109.3 | 171.7 | -64.7 | 174.7 | 0 | 0 | 0 | 108.2 | H78 L82 | H78-L80 PolarHBondContact O-N 3.16Å; L80-L82 PolarHBondContact O-N 3.26Å |
| 81 | V | 55.4 | Low | 49 | Very low | 121 Ų | 121 | 154.3 Ų | 154.3 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | | | trans | -80.2 | 104.7 | 170.2 | 179.6 | 0 | 0 | 0 | 0 | 107.4 | P79 K83 | P79-V81 PolarHBondContact O-N 3.36Å; V81-K83 PolarHBondContact O-N 2.66Å |
| 82 | L | 52.2 | Low | 48.9 | Very low | 156 Ų | 156 | 157.6 Ų | 157.6 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | | | trans | -71.7 | 107.5 | 168.2 | -65.6 | 173.4 | 0 | 0 | 0 | 107.8 | L80 T84 | L80-L82 PolarHBondContact O-N 3.26Å; L82-T84 PolarHBondContact O-N 2.88Å |
| 83 | K | 46.8 | Very low | 49.4 | Very low | 183 Ų | 183 | 160.3 Ų | 160.3 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | | | trans | -73.1 | 107.8 | 167.7 | -67.4 | -178.1 | 179 | 179.6 | 0 | 107.3 | V81 N85 | V81-K83 PolarHBondContact O-N 2.66Å; K83-N85 PolarHBondContact O-N 3.3Å |
| 84 | T | 47.9 | Very low | 49 | Very low | 118 Ų | 118 | 163.3 Ų | 163.3 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | | | trans | -73.1 | 107 | 165 | 52.9 | 0 | 0 | 0 | 0 | 107.2 | L82 F86 | L82-T84 PolarHBondContact O-N 2.88Å; T84-F86 PolarHBondContact O-N 3.43Å |
| 85 | N | 43.4 | Very low | 48.5 | Very low | 147 Ų | 147 | 160 Ų | 160 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | | | trans | -74 | 105.3 | 165.6 | -58.9 | -18.4 | 0 | 0 | 0 | 105.8 | K83 E87 | K83-N85 PolarHBondContact O-N 3.3Å; N85-E87 PolarHBondContact O-N 3.24Å |
| 86 | F | 45.8 | Very low | 48.1 | Very low | 195 Ų | 195 | 160.6 Ų | 160.6 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | | | trans | -80.2 | 102.6 | 163.8 | -112.6 | -97.3 | 0 | 0 | 0 | 105.7 | T84 | T84-F86 PolarHBondContact O-N 3.43Š|
| 87 | E | 48.3 | Very low | 48.2 | Very low | 173 Ų | 173 | 160.1 Ų | 160.1 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | | | trans | -95.3 | 108.5 | 164 | -156.5 | 153.9 | -147.2 | 0 | 0 | 105.5 | N85 E89 | N85-E87 PolarHBondContact O-N 3.24Å; E87-E89 PolarHBondContact O-N 3.25Å |
| 88 | E | 46.6 | Very low | 47.6 | Very low | 165 Ų | 165 | 158.7 Ų | 158.7 | 77% | 0.771 | 80% | 0.796 | S | S | * | * | | | trans | -78.7 | 97.5 | 176.1 | -177.2 | 174 | -144.9 | 0 | 0 | 106.5 | | |
| 89 | E | 50.3 | Low | 46.7 | Very low | 184 Ų | 184 | 156.6 Ų | 156.6 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | -103.7 | 105.2 | 161.5 | -76.2 | -168.2 | 160.2 | 0 | 0 | 108.1 | E87 | E87-E89 PolarHBondContact O-N 3.25Š|
| 90 | E | 49.5 | Very low | 46.6 | Very low | 156 Ų | 156 | 157 Ų | 157 | 73% | 0.729 | 81% | 0.81 | S | S | * | * | | | trans | -81.5 | 147.7 | 170.6 | -112.6 | -179.1 | 164 | 0 | 0 | 110.4 | | |
| 91 | E | 47.3 | Very low | 46.5 | Very low | 178 Ų | 178 | 154 Ų | 154 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | 74.6 | 134.6 | 165.6 | -58.2 | -179.3 | 157.4 | 0 | 0 | 115.7 | | |
| 92 | E | 43.3 | Very low | 46.1 | Very low | 186 Ų | 186 | 155.6 Ų | 155.6 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | | | cis | -141.8 | 158.4 | 29.4 | -74.5 | 179 | 138.8 | 0 | 0 | 112.5 | | |
| 93 | E | 47.2 | Very low | 46.1 | Very low | 193 Ų | 193 | 159.3 Ų | 159.3 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | | | trans | -61.5 | 117.3 | 174.1 | -176 | -179.8 | -162.5 | 0 | 0 | 113 | | |
| 94 | E | 41.3 | Very low | 46.6 | Very low | 182 Ų | 182 | 156.8 Ų | 156.8 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | | | trans | -148.8 | 106.4 | 149.5 | -156.5 | 173 | -172.4 | 0 | 0 | 110.4 | | |
| 95 | E | 42.7 | Very low | 47.9 | Very low | 154 Ų | 154 | 155.5 Ų | 155.5 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | | | trans | 29.9 | 112.9 | 153.6 | -157.3 | 175.7 | -177.8 | 0 | 0 | 119.9 | N97 | E95-N97 PolarHBondContact O-N 3.42Š|
| 96 | P | 40.6 | Very low | 49.7 | Very low | 140 Ų | 140 | 151.7 Ų | 151.7 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | | | trans | -88.7 | 95.2 | 168.5 | 34.2 | -27.8 | 0 | 0 | 0 | 110 | | |
| 97 | N | 49.6 | Very low | 51.4 | Low | 134 Ų | 134 | 147.3 Ų | 147.3 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | | | trans | -122.7 | 131.4 | 157.9 | -154.3 | -23.7 | 0 | 0 | 0 | 109 | E95 | E95-N97 PolarHBondContact O-N 3.42Š|
| 98 | D | 44.1 | Very low | 53.1 | Low | 142 Ų | 142 | 145.9 Ų | 145.9 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | | | trans | 83.5 | 73.3 | 167.4 | -132.6 | 3.7 | 0 | 0 | 0 | 118.8 | | |
| 99 | A | 32.5 | Very low | 55 | Low | 106 Ų | 106 | 141.7 Ų | 141.7 | 88% | 0.876 | 74% | 0.741 | S | S | * | * | | | trans | -145.4 | 31.5 | 155.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 100 | S | 51.9 | Low | 56.8 | Low | 125 Ų | 125 | 135.3 Ų | 135.3 | 87% | 0.874 | 71% | 0.712 | S | S | * | * | | | trans | -104.1 | 37.2 | 171.7 | -178 | 0 | 0 | 0 | 0 | 112.3 | | |
| 101 | S | 50.6 | Low | 58.8 | Low | 97 Ų | 97 | 134.7 Ų | 134.7 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | | | trans | -137.3 | 67.8 | -178 | -170.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 102 | L | 46.5 | Very low | 60.7 | Low | 154 Ų | 154 | 132 Ų | 132 | 81% | 0.806 | 70% | 0.697 | S | S | * | * | | | trans | -158.4 | 40.4 | 162.1 | -125.9 | 143.3 | 0 | 0 | 0 | 114.1 | | |
| 103 | W | 51.1 | Low | 63 | Low | 234 Ų | 234 | 127.6 Ų | 127.6 | 89% | 0.886 | 68% | 0.675 | S | S | * | * | | | trans | -118.7 | 75.3 | 165.5 | -71.2 | 50.1 | 0 | 0 | 0 | 107.6 | K105 | W103-K105 VanDerWaalsContact C-N 3.27Å; W103-K105 PolarHBondContact O-N 2.87Å |
| 104 | T | 57.3 | Low | 65.1 | Low | 130 Ų | 130 | 126.6 Ų | 126.6 | 80% | 0.798 | 66% | 0.663 | S | S | * | * | | | trans | -70.7 | 89.2 | 172.6 | -34.5 | 0 | 0 | 0 | 0 | 107.8 | T106 | T104-T106 PolarHBondContact O-N 3.29Š|
| 105 | K | 76.5 | Confident | 67.5 | Low | 91 Ų | 91 | 120.3 Ų | 120.3 | 40% | 0.396 | 64% | 0.642 | S | S | . | * | | | trans | -59.8 | 125.9 | 177 | -69.3 | -177.4 | 169.3 | 170.8 | 0 | 109.1 | W103 E109 I110 | W103-K105 VanDerWaalsContact C-N 3.27Å; W103-K105 PolarHBondContact O-N 2.87Å; K105-E109 WeakPolarHBondContact CE-OE1 3.49Å; K105-I110 HydrophobicContact CB-CD1 4.29Å; K105-I110 HydrophobicContact CB-CG1 3.94Å |
| 106 | T | 80.3 | Confident | 69.8 | Low | 67 Ų | 67 | 117.3 Ų | 117.3 | 41% | 0.411 | 63% | 0.63 | S | S | . | * | | | trans | -65.1 | 152.3 | 176.7 | 59.4 | 0 | 0 | 0 | 0 | 109.7 | T104 E108 E109 I110 | T104-T106 PolarHBondContact O-N 3.29Å; T106-E108 PolarHBondContact O-N 3.31Å; T106-E108 VanDerWaalsContact O-N 3.15Å; T106-E109 WeakPolarHBondContact O-CB 3.5Å; T106-E109 PolarHBondContact O-N 3.48Å; T106-E109 PolarHBondContact OG1-N 2.89Å; T106-I110 WeakPolarHBondContact O-CG1 3.25Å; T106-I110 PolarHBondContact O-N 2.86Å |
| 107 | P | 82.8 | Confident | 72.2 | Confident | 103 Ų | 103 | 118.3 Ų | 118.3 | 67% | 0.669 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -56.2 | -30.9 | 178.4 | 19.8 | -31.3 | 0 | 0 | 0 | 112.8 | I110 E111 | P107-I110 PolarHBondContact O-N 3.04Å; P107-E111 PolarHBondContact O-N 3.48Å |
| 108 | E | 83.5 | Confident | 74 | Confident | 143 Ų | 143 | 116.7 Ų | 116.7 | 67% | 0.668 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.4 | -44.2 | 175.4 | -65.8 | 150.9 | -174.7 | 0 | 0 | 111.8 | T106 I110 E111 E112 | T106-E108 PolarHBondContact O-N 3.31Å; T106-E108 VanDerWaalsContact O-N 3.15Å; E108-I110 PolarHBondContact O-N 2.92Å; E108-E111 PolarHBondContact O-N 3.47Å; E108-E112 WeakPolarHBondContact O-CB 3.48Å; E108-E112 PolarHBondContact O-N 3.43Å |
| 109 | E | 85.1 | Confident | 76 | Confident | 76 Ų | 76 | 116.1 Ų | 116.1 | 36% | 0.355 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.1 | -30.3 | 175.3 | -164.4 | -166 | 151 | 0 | 0 | 111.4 | K105 T106 K113 | K105-E109 WeakPolarHBondContact CE-OE1 3.49Å; T106-E109 WeakPolarHBondContact O-CB 3.5Å; T106-E109 PolarHBondContact O-N 3.48Å; T106-E109 PolarHBondContact OG1-N 2.89Å; E109-K113 WeakPolarHBondContact O-CB 3.39Å; E109-K113 WeakPolarHBondContact O-CG 3.45Å; E109-K113 PolarHBondContact O-N 3.31Å |
| 110 | I | 88.9 | Confident | 78.7 | Confident | 50 Ų | 50 | 113.2 Ų | 113.2 | 26% | 0.256 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.7 | -35.8 | 175.7 | -62.4 | 175.1 | 0 | 0 | 0 | 111.9 | K105 T106 P107 E108 K113 R114 | K105-I110 HydrophobicContact CB-CD1 4.29Å; K105-I110 HydrophobicContact CB-CG1 3.94Å; T106-I110 WeakPolarHBondContact O-CG1 3.25Å; T106-I110 PolarHBondContact O-N 2.86Å; P107-I110 PolarHBondContact O-N 3.04Å; E108-I110 PolarHBondContact O-N 2.92Å; I110-K113 VanDerWaalsContact O-CG 3.24Å; I110-K113 WeakPolarHBondContact O-CG 3.31Å; I110-R114 WeakPolarHBondContact O-CD 3.29Å; I110-R114 VanDerWaalsContact O-CG 3.23Å; I110-R114 WeakPolarHBondContact O-CG 3.33Å; I110-R114 PolarHBondContact O-N 3.28Å |
| 111 | E | 92.1 | Very high | 80.2 | Confident | 143 Ų | 143 | 116.2 Ų | 116.2 | 67% | 0.668 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -73.3 | -43 | 174.6 | -173.6 | 173.8 | -174.1 | 0 | 0 | 110.9 | P107 E108 K113 R114 A115 | P107-E111 PolarHBondContact O-N 3.48Å; E108-E111 PolarHBondContact O-N 3.47Å; E111-K113 PolarHBondContact O-N 2.86Å; E111-R114 WeakPolarHBondContact O-CB 3.48Å; E111-R114 PolarHBondContact O-N 3.21Å; E111-R114 VanDerWaalsContact O-N 3.11Å; E111-A115 WeakPolarHBondContact O-CB 3.46Å; E111-A115 PolarHBondContact O-N 2.82Å |
| 112 | E | 87.6 | Confident | 81.8 | Confident | 122 Ų | 122 | 118.7 Ų | 118.7 | 57% | 0.57 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.3 | -47.9 | 177.6 | -175 | 179.4 | -178.4 | 0 | 0 | 111.5 | E108 R114 A115 I116 | E108-E112 WeakPolarHBondContact O-CB 3.48Å; E108-E112 PolarHBondContact O-N 3.43Å; E112-R114 PolarHBondContact O-N 3.08Å; E112-A115 PolarHBondContact O-N 3.28Å; E112-I116 HydrophobicContact CG-CD1 3.85Å; E112-I116 HydrophobicContact CG-CG1 4.45Å; E112-I116 VanDerWaalsContact O-CG1 3.29Å; E112-I116 WeakPolarHBondContact O-CG1 3.36Å; E112-I116 PolarHBondContact O-N 2.85Å |
| 113 | K | 89.9 | Confident | 83.4 | Confident | 94 Ų | 94 | 114.5 Ų | 114.5 | 41% | 0.409 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.1 | -31.2 | 176.8 | 74.6 | -171.8 | -174.3 | -167.7 | 0 | 112.6 | E109 I110 E111 K117 | E109-K113 WeakPolarHBondContact O-CB 3.39Å; E109-K113 WeakPolarHBondContact O-CG 3.45Å; E109-K113 PolarHBondContact O-N 3.31Å; I110-K113 VanDerWaalsContact O-CG 3.24Å; I110-K113 WeakPolarHBondContact O-CG 3.31Å; E111-K113 PolarHBondContact O-N 2.86Å; K113-K117 VanDerWaalsContact O-CB 3.23Å; K113-K117 WeakPolarHBondContact O-CB 3.39Å; K113-K117 PolarHBondContact O-N 3.22Å; K113-K117 VanDerWaalsContact O-N 3.08Å |
| 114 | R | 91.3 | Very high | 84.4 | Confident | 172 Ų | 172 | 105.8 Ų | 105.8 | 65% | 0.649 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -72.8 | -43.5 | 175.9 | -76.4 | 174.2 | -175.3 | -175.1 | 4.1 | 110.6 | I110 E111 E112 K117 E118 | I110-R114 WeakPolarHBondContact O-CD 3.29Å; I110-R114 VanDerWaalsContact O-CG 3.23Å; I110-R114 WeakPolarHBondContact O-CG 3.33Å; I110-R114 PolarHBondContact O-N 3.28Å; E111-R114 WeakPolarHBondContact O-CB 3.48Å; E111-R114 PolarHBondContact O-N 3.21Å; E111-R114 VanDerWaalsContact O-N 3.11Å; E112-R114 PolarHBondContact O-N 3.08Å; R114-K117 PolarHBondContact O-N 3.11Å; R114-E118 WeakPolarHBondContact O-CB 2.99Å; R114-E118 PolarHBondContact O-N 2.96Å |
| 115 | A | 91.9 | Very high | 84.3 | Confident | 49 Ų | 49 | 107 Ų | 107 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61 | -47.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | E111 E112 K117 E118 M119 | E111-A115 WeakPolarHBondContact O-CB 3.46Å; E111-A115 PolarHBondContact O-N 2.82Å; E112-A115 PolarHBondContact O-N 3.28Å; A115-K117 VanDerWaalsContact C-N 3.35Å; A115-K117 PolarHBondContact O-N 3.37Å; A115-E118 PolarHBondContact O-N 2.88Å; A115-M119 WeakPolarHBondContact O-CB 3.27Å; A115-M119 WeakPolarHBondContact O-CG 3.11Å; A115-M119 PolarHBondContact O-N 3.09Å |
| 116 | I | 91.3 | Very high | 83.2 | Confident | 91 Ų | 91 | 110.5 Ų | 110.5 | 47% | 0.467 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 176.2 | -65.8 | 167.2 | 0 | 0 | 0 | 110.3 | E112 E118 M119 C120 | E112-I116 HydrophobicContact CG-CD1 3.85Å; E112-I116 HydrophobicContact CG-CG1 4.45Å; E112-I116 VanDerWaalsContact O-CG1 3.29Å; E112-I116 WeakPolarHBondContact O-CG1 3.36Å; E112-I116 PolarHBondContact O-N 2.85Å; I116-E118 VanDerWaalsContact C-N 3.34Å; I116-E118 PolarHBondContact O-N 3.05Å; I116-M119 PolarHBondContact O-N 3.4Å; I116-C120 WeakPolarHBondContact O-CB 3.42Å; I116-C120 PolarHBondContact O-N 3.36Å; I116-C120 PolarHBondContact O-SG 3.19Å |
| 117 | K | 90.8 | Very high | 81.9 | Confident | 162 Ų | 162 | 117.5 Ų | 117.5 | 70% | 0.704 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.3 | -41.4 | 178.6 | -174.9 | 176.7 | -178.4 | 179.9 | 0 | 112.5 | K113 R114 A115 C120 Y121 | K113-K117 VanDerWaalsContact O-CB 3.23Å; K113-K117 WeakPolarHBondContact O-CB 3.39Å; K113-K117 PolarHBondContact O-N 3.22Å; K113-K117 VanDerWaalsContact O-N 3.08Å; R114-K117 PolarHBondContact O-N 3.11Å; A115-K117 VanDerWaalsContact C-N 3.35Å; A115-K117 PolarHBondContact O-N 3.37Å; K117-C120 PolarHBondContact O-N 3.34Å; K117-Y121 WeakPolarHBondContact O-CB 3.47Å; K117-Y121 PolarHBondContact O-N 3.03Å |
| 118 | E | 88.6 | Confident | 80.4 | Confident | 99 Ų | 99 | 123 Ų | 123 | 46% | 0.463 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.2 | -42.1 | 177.4 | -171.5 | -175.5 | 160.6 | 0 | 0 | 111.5 | R114 A115 I116 Y121 K122 | R114-E118 WeakPolarHBondContact O-CB 2.99Å; R114-E118 PolarHBondContact O-N 2.96Å; A115-E118 PolarHBondContact O-N 2.88Å; I116-E118 VanDerWaalsContact C-N 3.34Å; I116-E118 PolarHBondContact O-N 3.05Å; E118-Y121 PolarHBondContact O-N 3.22Å; E118-K122 HydrophobicContact CG-CD 4.16Å; E118-K122 WeakPolarHBondContact O-CB 3.42Å; E118-K122 WeakPolarHBondContact O-CG 3.24Å; E118-K122 PolarHBondContact O-N 3.15Å; E118-K122 VanDerWaalsContact OE1-CE 3.31Å; E118-K122 WeakPolarHBondContact OE1-CE 3.48Å; E118-K122 IonicContact OE1-NZ 2.66Å; E118-K122 PolarHBondContact OE1-NZ 3.33Å |
| 119 | M | 85.8 | Confident | 78.4 | Confident | 130 Ų | 130 | 125.7 Ų | 125.7 | 64% | 0.64 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.3 | -43 | 174.9 | -69.1 | -60.9 | -64.4 | 0 | 0 | 111.5 | A115 I116 K122 S123 | A115-M119 WeakPolarHBondContact O-CB 3.27Å; A115-M119 WeakPolarHBondContact O-CG 3.11Å; A115-M119 PolarHBondContact O-N 3.09Å; I116-M119 PolarHBondContact O-N 3.4Å; M119-K122 PolarHBondContact O-N 3.19Å; M119-S123 VanDerWaalsContact O-CB 3.24Å; M119-S123 WeakPolarHBondContact O-CB 3.43Å; M119-S123 PolarHBondContact O-N 3.46Å; M119-S123 PolarHBondContact O-OG 3.37Å |
| 120 | C | 87.9 | Confident | 76.4 | Confident | 45 Ų | 45 | 130.6 Ų | 130.6 | 30% | 0.304 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.1 | -36.3 | 175.5 | -67.2 | 0 | 0 | 0 | 0 | 112.8 | I116 K117 S123 G124 | I116-C120 WeakPolarHBondContact O-CB 3.42Å; I116-C120 PolarHBondContact O-N 3.36Å; I116-C120 PolarHBondContact O-SG 3.19Å; K117-C120 PolarHBondContact O-N 3.34Å; C120-S123 VanDerWaalsContact CA-OG 3.31Å; C120-S123 WeakPolarHBondContact CA-OG 3.23Å; C120-S123 PolarHBondContact O-OG 3.27Å; C120-G124 PolarHBondContact O-N 3.28Å |
| 121 | Y | 84.7 | Confident | 74.3 | Confident | 189 Ų | 189 | 132.3 Ų | 132.3 | 74% | 0.741 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68 | -43.7 | 175.8 | -178 | -100.3 | 0 | 0 | 0 | 111.5 | K117 E118 G124 | K117-Y121 WeakPolarHBondContact O-CB 3.47Å; K117-Y121 PolarHBondContact O-N 3.03Å; E118-Y121 PolarHBondContact O-N 3.22Å; Y121-G124 PolarHBondContact O-N 2.73Å |
| 122 | K | 84.6 | Confident | 72.2 | Confident | 149 Ų | 149 | 130.5 Ų | 130.5 | 65% | 0.648 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71.8 | -33.8 | 178.5 | -76.7 | 179.5 | 171.2 | 171.6 | 0 | 113.5 | E118 M119 G124 | E118-K122 HydrophobicContact CG-CD 4.16Å; E118-K122 WeakPolarHBondContact O-CB 3.42Å; E118-K122 WeakPolarHBondContact O-CG 3.24Å; E118-K122 PolarHBondContact O-N 3.15Å; E118-K122 VanDerWaalsContact OE1-CE 3.31Å; E118-K122 WeakPolarHBondContact OE1-CE 3.48Å; E118-K122 IonicContact OE1-NZ 2.66Å; E118-K122 PolarHBondContact OE1-NZ 3.33Å; M119-K122 PolarHBondContact O-N 3.19Å; K122-G124 VanDerWaalsContact C-N 3.25Å; K122-G124 PolarHBondContact O-N 3.12Å |
| 123 | S | 79.9 | Confident | 70.1 | Confident | 66 Ų | 66 | 130.7 Ų | 130.7 | 46% | 0.462 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -77.7 | -8.8 | 176.9 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | M119 C120 E125 | M119-S123 VanDerWaalsContact O-CB 3.24Å; M119-S123 WeakPolarHBondContact O-CB 3.43Å; M119-S123 PolarHBondContact O-N 3.46Å; M119-S123 PolarHBondContact O-OG 3.37Å; C120-S123 VanDerWaalsContact CA-OG 3.31Å; C120-S123 WeakPolarHBondContact CA-OG 3.23Å; C120-S123 PolarHBondContact O-OG 3.27Å; S123-E125 PolarHBondContact O-N 3.2Å; S123-E125 VanDerWaalsContact O-N 3.16Å |
| 124 | G | 70.5 | Confident | 68 | Low | 51 Ų | 51 | 133.7 Ų | 133.7 | 53% | 0.526 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 68.7 | 7.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | C120 Y121 K122 Y126 | C120-G124 PolarHBondContact O-N 3.28Å; Y121-G124 PolarHBondContact O-N 2.73Å; K122-G124 VanDerWaalsContact C-N 3.25Å; K122-G124 PolarHBondContact O-N 3.12Å; G124-Y126 PolarHBondContact O-N 2.96Å |
| 125 | E | 57.2 | Low | 65.5 | Low | 156 Ų | 156 | 132.8 Ų | 132.8 | 73% | 0.729 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -12.4 | 179.9 | -66.3 | -172.7 | 158.5 | 0 | 0 | 112.8 | S123 | S123-E125 PolarHBondContact O-N 3.2Å; S123-E125 VanDerWaalsContact O-N 3.16Å |
| 126 | Y | 52 | Low | 63.2 | Low | 164 Ų | 164 | 136.4 Ų | 136.4 | 64% | 0.643 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -13.2 | -176.4 | -168.5 | -101.7 | 0 | 0 | 0 | 115.1 | G124 | G124-Y126 PolarHBondContact O-N 2.96Š|
| 127 | Y | 52.7 | Low | 60.6 | Low | 214 Ų | 214 | 137.8 Ų | 137.8 | 84% | 0.839 | 70% | 0.7 | S | S | * | * | | | trans | -117.5 | 74 | 173.6 | -89.3 | -86.1 | 0 | 0 | 0 | 111.7 | | |
| 128 | R | 52.4 | Low | 58 | Low | 219 Ų | 219 | 135.1 Ų | 135.1 | 83% | 0.826 | 70% | 0.702 | S | S | * | * | | | trans | -141 | 56.5 | 155.3 | -164.7 | -175.8 | -86.6 | 140.9 | -4.9 | 110.9 | | |
| 129 | F | 41.3 | Very low | 55.6 | Low | 199 Ų | 199 | 140.2 Ų | 140.2 | 87% | 0.873 | 72% | 0.723 | S | S | * | * | | | trans | -106.5 | 126.8 | 156.8 | -74.6 | -77 | 0 | 0 | 0 | 108.4 | A131 | F129-A131 PolarHBondContact O-N 2.88Š|
| 130 | H | 43.5 | Very low | 53.1 | Low | 179 Ų | 179 | 139.2 Ų | 139.2 | 83% | 0.829 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 119.2 | 179.6 | -69.2 | -90.3 | 0 | 0 | 0 | 110.1 | | |
| 131 | A | 45 | Very low | 50.6 | Low | 85 Ų | 85 | 143.5 Ų | 143.5 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -68 | 131.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | F129 | F129-A131 PolarHBondContact O-N 2.88Š|
| 132 | P | 47 | Very low | 48.3 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 146.9 | 167.2 | -19.3 | 31.6 | 0 | 0 | 0 | 110.1 | D134 | P132-D134 PolarHBondContact O-N 3.21Å; P132-D134 VanDerWaalsContact O-N 3.08Å |
| 133 | P | 44.2 | Very low | 46.1 | Very low | 127 Ų | 127 | 137 Ų | 137 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | | | trans | -65.8 | 112.4 | 175.2 | -13.1 | 26.8 | 0 | 0 | 0 | 109.7 | I135 | P133-I135 PolarHBondContact O-N 3.05Š|
| 134 | D | 44.8 | Very low | 43.6 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | | | trans | -66.6 | 123.9 | 170.4 | -70.4 | -43.2 | 0 | 0 | 0 | 109.7 | P132 | P132-D134 PolarHBondContact O-N 3.21Å; P132-D134 VanDerWaalsContact O-N 3.08Å |
| 135 | I | 39.3 | Very low | 41.9 | Very low | 154 Ų | 154 | 143.2 Ų | 143.2 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | trans | -66.6 | 141.1 | 172.6 | -62.9 | 171.4 | 0 | 0 | 0 | 108.4 | P133 S137 | P133-I135 PolarHBondContact O-N 3.05Å; I135-S137 PolarHBondContact O-N 3.3Å; I135-S137 VanDerWaalsContact O-N 3.13Å |
| 136 | P | 43.2 | Very low | 40.9 | Very low | 125 Ų | 125 | 145.3 Ų | 145.3 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | trans | -69.5 | 112.1 | -171.1 | 27.7 | -35.1 | 0 | 0 | 0 | 111.7 | | |
| 137 | S | 38.2 | Very low | 40.4 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | trans | -95 | 124.6 | 168.1 | -174.4 | 0 | 0 | 0 | 0 | 110.7 | I135 | I135-S137 PolarHBondContact O-N 3.3Å; I135-S137 VanDerWaalsContact O-N 3.13Å |
| 138 | S | 34.5 | Very low | 39.4 | Very low | 106 Ų | 106 | 144.2 Ų | 144.2 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | trans | -63.4 | 140.2 | -174.4 | 14.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 139 | K | 39.4 | Very low | 38.4 | Very low | 206 Ų | 206 | 142.4 Ų | 142.4 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | | | trans | 33.2 | 118 | 146.4 | -78.9 | 175.8 | 175.5 | 173.1 | 0 | 119.1 | | |
| 140 | S | 32.8 | Very low | 37.8 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | trans | -172.6 | 103 | 132.7 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 141 | V | 35.2 | Very low | 37.4 | Very low | 136 Ų | 136 | 142.4 Ų | 142.4 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | | 63.3 | 114 | 116.9 | -175.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 142 | A | 36.7 | Very low | 37.1 | Very low | 90 Ų | 90 | 144.1 Ų | 144.1 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | | | trans | -80 | 154.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 143 | P | 37.5 | Very low | 36.2 | Very low | 110 Ų | 110 | 146.4 Ų | 146.4 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | | | trans | -132.3 | 126.5 | 137.6 | 24 | -4.8 | 0 | 0 | 0 | 111.5 | | |
| 144 | T | 29.3 | Very low | 35.8 | Very low | 128 Ų | 128 | 149.9 Ų | 149.9 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | | | | 86.3 | 111 | 93.5 | -31.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 145 | V | 34.6 | Very low | 34.9 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | | | trans | 7.5 | 120.8 | 149 | 176.1 | 0 | 0 | 0 | 0 | 117.6 | | |
| 146 | E | 36.5 | Very low | 34.5 | Very low | 201 Ų | 201 | 143.9 Ų | 143.9 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | | | trans | -134.4 | 127.8 | 136.6 | -70.2 | -164.1 | 159.5 | 0 | 0 | 109.2 | | |
| 147 | K | 41.1 | Very low | 34.1 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | | | trans | -103.9 | 154.7 | 174.1 | -81.1 | -173.4 | 172.7 | -175.6 | 0 | 108.6 | | |
| 148 | E | 31.6 | Very low | 34 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | | | trans | 77.7 | 107.3 | 157.1 | -73.2 | -179 | 164 | 0 | 0 | 119.3 | | |
| 149 | L | 30.6 | Very low | 34.4 | Very low | 180 Ų | 180 | 148.6 Ų | 148.6 | 94% | 0.942 | 81% | 0.81 | S | S | * | * | | | | -150.6 | 128.9 | 125.1 | -154.6 | 81.1 | 0 | 0 | 0 | 110.5 | | |
| 150 | E | 29.9 | Very low | 34.4 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 160.9 | -169.8 | -59 | 176.5 | 131.5 | 0 | 0 | 114.4 | | |
| 151 | K | 33.8 | Very low | 34.9 | Very low | 204 Ų | 204 | 150.3 Ų | 150.3 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 140 | 161.2 | -72.9 | 178.8 | 178.6 | -179 | 0 | 109.1 | | |
| 152 | P | 39 | Very low | 34.9 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -89 | 140.9 | 179.2 | 34.2 | -30.9 | 0 | 0 | 0 | 112.9 | | |
| 153 | L | 29 | Very low | 35 | Very low | 153 Ų | 153 | 151 Ų | 151 | 80% | 0.801 | 81% | 0.813 | S | S | * | * | | | | 54.5 | 107.2 | 126.6 | -160.1 | 69.2 | 0 | 0 | 0 | 118.5 | | |
| 154 | E | 35.6 | Very low | 35 | Very low | 200 Ų | 200 | 149 Ų | 149 | 94% | 0.935 | 81% | 0.812 | S | S | * | * | | | trans | -127.6 | 127.3 | 145.4 | -146.5 | 171.4 | -157 | 0 | 0 | 109.3 | | |
| 155 | T | 26.2 | Very low | 35.5 | Very low | 123 Ų | 123 | 150.3 Ų | 150.3 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | | | trans | -89.3 | 138.9 | -166.1 | -51.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 156 | G | 30.3 | Very low | 35.8 | Very low | 62 Ų | 62 | 151.5 Ų | 151.5 | 64% | 0.639 | 82% | 0.822 | S | S | * | * | | | trans | 154.9 | 129 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 157 | S | 35.3 | Very low | 36 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | | | trans | 66.9 | 101.8 | 169.4 | 57.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 158 | E | 35.5 | Very low | 36.2 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | | | | 66.8 | 126.6 | 60.4 | -155.4 | 178.8 | -170.1 | 0 | 0 | 113.8 | | |
| 159 | L | 42.5 | Very low | 36.3 | Very low | 148 Ų | 148 | 143 Ų | 143 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | | | trans | 108.3 | 101.4 | 167.3 | -55.4 | -179.4 | 0 | 0 | 0 | 118 | | |
| 160 | Q | 40.5 | Very low | 37.1 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | | 104 | 94.1 | 121.7 | -154.4 | 169.4 | -6.6 | 0 | 0 | 119.4 | | |
| 161 | E | 41.6 | Very low | 37.2 | Very low | 188 Ų | 188 | 142.3 Ų | 142.3 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | | | | 28.1 | 134.7 | 122 | -59.1 | 172.3 | 158.6 | 0 | 0 | 121 | | |
| 162 | G | 36 | Very low | 37.2 | Very low | 74 Ų | 74 | 137.7 Ų | 137.7 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | | | trans | 139.1 | 84.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 163 | D | 37.8 | Very low | 36.9 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | | | | 69.3 | 135.6 | 88.2 | -162.5 | 21.6 | 0 | 0 | 0 | 114.4 | | |
| 164 | G | 37.8 | Very low | 37.3 | Very low | 68 Ų | 68 | 139.6 Ų | 139.6 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | 139.7 | 69.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 165 | L | 39.5 | Very low | 37.2 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | | | trans | -43.8 | 133.7 | 164.7 | -65.3 | 154.4 | 0 | 0 | 0 | 113.9 | | |
| 166 | T | 42.8 | Very low | 37.7 | Very low | 146 Ų | 146 | 142.1 Ų | 142.1 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | | | trans | -151 | 128 | 138.6 | -44.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 167 | V | 39.2 | Very low | 37.9 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | trans | -77.4 | 156.6 | -176 | 168 | 0 | 0 | 0 | 0 | 111.5 | | |
| 168 | P | 44.8 | Very low | 37.9 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | trans | -94.3 | 144.5 | -162.6 | 34.9 | -28.7 | 0 | 0 | 0 | 113.9 | | |
| 169 | T | 35.5 | Very low | 37.8 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | | | trans | -90.3 | 112.6 | 171.1 | -53.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 170 | K | 47 | Very low | 37.5 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 71% | 0.709 | 79% | 0.792 | S | S | * | * | | | trans | -87 | 164.2 | 169.8 | -71.4 | -172.3 | 175.7 | -176.9 | 0 | 111.7 | | |
| 171 | F | 32.4 | Very low | 37.5 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 77% | 0.768 | 80% | 0.799 | S | S | * | * | | | trans | 100.2 | 110.1 | 152.3 | -69 | -81.1 | 0 | 0 | 0 | 118.9 | | |
| 172 | S | 33.4 | Very low | 37.1 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | | 178 | 113.1 | 97.5 | 61 | 0 | 0 | 0 | 0 | 108.8 | | |
| 173 | L | 33.3 | Very low | 36.9 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | | | | 47.7 | 112 | 86.8 | -93.3 | 157.2 | 0 | 0 | 0 | 115.2 | | |
| 174 | F | 36.4 | Very low | 36.9 | Very low | 180 Ų | 180 | 141 Ų | 141 | 79% | 0.789 | 79% | 0.793 | S | S | * | * | | | | 172.5 | 107.1 | 121.3 | -91.9 | -73.4 | 0 | 0 | 0 | 107.5 | | |
| 175 | E | 33 | Very low | 36.6 | Very low | 149 Ų | 149 | 144.3 Ų | 144.3 | 70% | 0.696 | 80% | 0.795 | S | S | * | * | | | | 81.2 | 107 | 80.3 | -153.5 | -178.4 | -150.6 | 0 | 0 | 113.3 | | |
| 176 | R | 37.6 | Very low | 36.3 | Very low | 226 Ų | 226 | 148.4 Ų | 148.4 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | | 151.4 | 116 | 107.8 | -158.6 | 164.5 | -165.4 | 155.5 | 3.3 | 112.3 | | |
| 177 | A | 34.4 | Very low | 36.3 | Very low | 100 Ų | 100 | 150.6 Ų | 150.6 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | | | trans | -81.4 | 147.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 178 | G | 34.2 | Very low | 36.5 | Very low | 77 Ų | 77 | 150.9 Ų | 150.9 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | -159.2 | 119.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 179 | E | 34.8 | Very low | 36.1 | Very low | 202 Ų | 202 | 156.7 Ų | 156.7 | 94% | 0.944 | 81% | 0.809 | S | S | * | * | | | trans | -73.8 | 167.1 | -166.3 | -66.1 | 169.3 | 131.2 | 0 | 0 | 115.8 | | |
| 180 | A | 35.8 | Very low | 36.5 | Very low | 91 Ų | 91 | 156 Ų | 156 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | | | trans | -56.2 | 157.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 181 | K | 41.1 | Very low | 36 | Very low | 210 Ų | 210 | 154.8 Ų | 154.8 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | | | trans | -153.4 | 150.2 | 131.9 | -69 | -146.2 | 177.4 | -175 | 0 | 113 | | |
| 182 | T | 32.1 | Very low | 36.4 | Very low | 130 Ų | 130 | 154.5 Ų | 154.5 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | | | trans | -68.3 | 154 | -172.4 | 52.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 183 | S | 31.8 | Very low | 36.5 | Very low | 108 Ų | 108 | 153.1 Ų | 153.1 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | | | | 160.2 | 147.2 | 115.9 | 56.8 | 0 | 0 | 0 | 0 | 115.6 | | |
| 184 | L | 37.5 | Very low | 36.7 | Very low | 159 Ų | 159 | 151.8 Ų | 151.8 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | | | trans | 79 | 101.7 | 154.3 | -73.6 | 157.9 | 0 | 0 | 0 | 122.1 | | |
| 185 | D | 31.4 | Very low | 37 | Very low | 139 Ų | 139 | 152.3 Ų | 152.3 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | | | | 38.3 | 105.4 | 119.8 | -168.3 | 39.9 | 0 | 0 | 0 | 119.3 | | |
| 186 | R | 33.6 | Very low | 37.6 | Very low | 241 Ų | 241 | 153.2 Ų | 153.2 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | | | trans | -166.5 | 128.7 | 136.4 | -116.3 | 173.2 | 176.7 | 170.1 | -0.4 | 112.6 | | |
| 187 | K | 43.9 | Very low | 37.8 | Very low | 192 Ų | 192 | 149.4 Ų | 149.4 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | | | trans | -44.6 | 143.9 | 172.5 | -66.1 | 168.3 | 174.2 | 176.9 | 0 | 114 | | |
| 188 | P | 43.3 | Very low | 38 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -81 | 119.8 | 157.6 | 30.6 | -27.5 | 0 | 0 | 0 | 109.9 | | |
| 189 | R | 36.2 | Very low | 37.9 | Very low | 230 Ų | 230 | 149.1 Ų | 149.1 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 116.7 | 171 | -147 | 175.8 | -170.3 | 167.8 | 0.4 | 107.3 | | |
| 190 | T | 42.5 | Very low | 37.9 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74 | 122.9 | 164.4 | 18.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 191 | D | 38.1 | Very low | 38.3 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | | | trans | -152.6 | 123.6 | 157.5 | -98.2 | -35.3 | 0 | 0 | 0 | 107.2 | | |
| 192 | I | 39.8 | Very low | 38.2 | Very low | 169 Ų | 169 | 141.7 Ų | 141.7 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | | | | -170.9 | 117 | 127.9 | -85.5 | 148.5 | 0 | 0 | 0 | 108.2 | | |
| 193 | A | 35.9 | Very low | 38.6 | Very low | 79 Ų | 79 | 146.4 Ų | 146.4 | 65% | 0.653 | 82% | 0.818 | S | S | * | * | | | trans | 70.4 | 98.6 | 148.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 194 | A | 38.3 | Very low | 39 | Very low | 106 Ų | 106 | 145 Ų | 145 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | | | trans | -66.3 | 134.7 | 142.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 195 | F | 41.1 | Very low | 39 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | | | trans | -125.2 | 102.5 | 145.6 | 47 | -93.5 | 0 | 0 | 0 | 108.1 | | |
| 196 | E | 45.5 | Very low | 39.4 | Very low | 168 Ų | 168 | 145.7 Ų | 145.7 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | | | trans | 20.2 | 109.9 | 139.5 | -131.2 | 165.9 | 161.9 | 0 | 0 | 120.7 | | |
| 197 | N | 43.4 | Very low | 39.5 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | | | | 72.8 | 114.2 | 127.8 | -63.2 | -15.5 | 0 | 0 | 0 | 123.3 | | |
| 198 | G | 36.8 | Very low | 39.5 | Very low | 83 Ų | 83 | 142.8 Ų | 142.8 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | | | trans | 110.6 | 106.7 | 140.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 199 | G | 33.8 | Very low | 39.4 | Very low | 87 Ų | 87 | 143.6 Ų | 143.6 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | | | cis | 119.8 | 116.1 | 29.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 200 | G | 34.3 | Very low | 39.5 | Very low | 71 Ų | 71 | 141.7 Ų | 141.7 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | | | trans | 151.2 | 60.4 | 174 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 201 | D | 43.8 | Very low | 39.2 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | | | trans | 47.7 | 94 | 139.1 | -48.2 | -15.8 | 0 | 0 | 0 | 120.8 | | |
| 202 | C | 39 | Very low | 39.4 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | | | trans | -81.2 | 114.3 | 154.8 | 44 | 0 | 0 | 0 | 0 | 110.3 | A204 | C202-A204 PolarHBondContact O-N 3.29Š|
| 203 | Y | 40.1 | Very low | 38.9 | Very low | 229 Ų | 229 | 137.8 Ų | 137.8 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | | | trans | -71.3 | 108.6 | 169.1 | -99.2 | -94.8 | 0 | 0 | 0 | 109.9 | | |
| 204 | A | 41.2 | Very low | 39 | Very low | 79 Ų | 79 | 141 Ų | 141 | 65% | 0.653 | 81% | 0.809 | S | S | * | * | | | trans | -111.6 | 128 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | C202 Q206 | C202-A204 PolarHBondContact O-N 3.29Å; A204-Q206 PolarHBondContact O-N 3.33Å |
| 205 | P | 36.9 | Very low | 38.9 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | trans | -75 | 108.3 | 178 | -6.5 | 22.4 | 0 | 0 | 0 | 110 | | |
| 206 | Q | 39.1 | Very low | 38.9 | Very low | 184 Ų | 184 | 140.1 Ų | 140.1 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -74.8 | 124.3 | 169.5 | -83 | 176.5 | -0 | 0 | 0 | 110.4 | A204 | A204-Q206 PolarHBondContact O-N 3.33Š|
| 207 | R | 36.4 | Very low | 38.3 | Very low | 237 Ų | 237 | 141.2 Ų | 141.2 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | | | trans | -80.8 | 112.2 | 171.3 | -53.3 | 175.6 | -167.6 | -109.9 | 1.1 | 106.6 | I209 | R207-I209 PolarHBondContact O-N 3.08Š|
| 208 | I | 44 | Very low | 37.7 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 70% | 0.697 | 80% | 0.801 | S | S | * | * | | | trans | -75.2 | 115.5 | 176.8 | -63.2 | 170.4 | 0 | 0 | 0 | 108.2 | F210 | I208-F210 HydrophobicContact CG2-CD2 3.83Å; I208-F210 HydrophobicContact CG2-CE2 3.67Å; I208-F210 HydrophobicContact CG2-CG 4.44Å; I208-F210 HydrophobicContact CG2-CZ 4.16Å |
| 209 | I | 40.8 | Very low | 37.5 | Very low | 144 Ų | 144 | 142.2 Ų | 142.2 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | | | trans | -89.8 | 114.1 | 163.5 | -61.8 | 171.8 | 0 | 0 | 0 | 106 | R207 L211 | R207-I209 PolarHBondContact O-N 3.08Å; I209-L211 PolarHBondContact O-N 3.27Å |
| 210 | F | 38.8 | Very low | 37.3 | Very low | 190 Ų | 190 | 142.1 Ų | 142.1 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | | | trans | -78.1 | 108.1 | 167 | -79.7 | -87.2 | 0 | 0 | 0 | 108.3 | I208 | I208-F210 HydrophobicContact CG2-CD2 3.83Å; I208-F210 HydrophobicContact CG2-CE2 3.67Å; I208-F210 HydrophobicContact CG2-CG 4.44Å; I208-F210 HydrophobicContact CG2-CZ 4.16Å |
| 211 | L | 37 | Very low | 37.2 | Very low | 156 Ų | 156 | 147.6 Ų | 147.6 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | | | trans | -83.3 | 121.1 | 158.7 | -81.4 | 163.6 | 0 | 0 | 0 | 107.2 | I209 | I209-L211 PolarHBondContact O-N 3.27Š|
| 212 | G | 40.9 | Very low | 36.7 | Very low | 78 Ų | 78 | 147.7 Ų | 147.7 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -62.3 | 132.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 213 | V | 30.5 | Very low | 37 | Very low | 125 Ų | 125 | 151.7 Ų | 151.7 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | | | trans | -120.8 | 114.2 | 161.1 | 172.3 | 0 | 0 | 0 | 0 | 105.8 | E215 | V213-E215 HydrophobicContact CG1-CG 4.27Š|
| 214 | D | 37.2 | Very low | 36.7 | Very low | 145 Ų | 145 | 149.5 Ų | 149.5 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | | | trans | -74.3 | 120.1 | 167.8 | 179.8 | 31.9 | 0 | 0 | 0 | 107.9 | | |
| 215 | E | 36.8 | Very low | 36.3 | Very low | 182 Ų | 182 | 150.1 Ų | 150.1 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | | | trans | -135.9 | 114.8 | 160 | -77 | -172.6 | 149.8 | 0 | 0 | 107.5 | V213 | V213-E215 HydrophobicContact CG1-CG 4.27Š|
| 216 | S | 40.7 | Very low | 36 | Very low | 97 Ų | 97 | 149.5 Ų | 149.5 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | | | trans | -93.2 | 170.1 | 173.4 | 44.2 | 0 | 0 | 0 | 0 | 110 | | |
| 217 | E | 32.2 | Very low | 35.9 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | | | trans | 99.4 | 130.3 | -178.5 | -64.3 | -166.1 | 153.7 | 0 | 0 | 114.7 | | |
| 218 | A | 31.4 | Very low | 35.7 | Very low | 84 Ų | 84 | 143.6 Ų | 143.6 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | | | cis | -166.8 | 168.9 | -3.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 219 | L | 31.6 | Very low | 35.1 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | | | trans | 102.9 | 108.5 | 150.2 | -63 | 176.4 | 0 | 0 | 0 | 120.8 | | |
| 220 | A | 30.5 | Very low | 34.8 | Very low | 84 Ų | 84 | 142 Ų | 142 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | | | | 77.6 | 110.5 | 125.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 221 | E | 32.5 | Very low | 34.6 | Very low | 186 Ų | 186 | 140.5 Ų | 140.5 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | | | | -177.8 | 129.9 | 91.2 | -95.8 | -178.9 | 161.4 | 0 | 0 | 110.6 | | |
| 222 | D | 33.9 | Very low | 34.6 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | | | trans | -7.7 | 134.2 | 159.4 | -57.2 | -27.1 | 0 | 0 | 0 | 118.6 | | |
| 223 | K | 43.9 | Very low | 34.6 | Very low | 213 Ų | 213 | 145.5 Ų | 145.5 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | | | | -159 | 122.8 | 109.7 | -74.2 | -140.7 | 177.9 | 176.8 | 0 | 111.9 | | |
| 224 | E | 33.8 | Very low | 34.8 | Very low | 182 Ų | 182 | 145.8 Ų | 145.8 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | | | trans | -77.9 | 138.8 | 170.4 | -173.3 | -177.2 | 172.6 | 0 | 0 | 111.1 | | |
| 225 | A | 33.5 | Very low | 34.8 | Very low | 92 Ų | 92 | 146.2 Ų | 146.2 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | | | trans | -169.6 | 86.2 | 152.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 226 | T | 30.6 | Very low | 34.7 | Very low | 114 Ų | 114 | 144 Ų | 144 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | | | | 43.2 | 116.7 | 120.2 | -38.5 | 0 | 0 | 0 | 0 | 121 | | |
| 227 | S | 37 | Very low | 34.9 | Very low | 95 Ų | 95 | 145.9 Ų | 145.9 | 66% | 0.664 | 81% | 0.811 | S | S | * | * | | | | 98.6 | 123.8 | 125.8 | 71.1 | 0 | 0 | 0 | 0 | 123.7 | | |
| 228 | K | 32.4 | Very low | 35.2 | Very low | 203 Ų | 203 | 144.1 Ų | 144.1 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | 82.3 | 109 | 137 | -71.2 | 169.6 | -175.3 | -178.9 | 0 | 119.8 | | |
| 229 | C | 31.4 | Very low | 35.9 | Very low | 127 Ų | 127 | 145 Ų | 145 | 86% | 0.858 | 80% | 0.802 | S | S | * | * | | | trans | -26.5 | 143.8 | 157.5 | -76.5 | 0 | 0 | 0 | 0 | 117.7 | | |
| 230 | S | 34.7 | Very low | 36.4 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | | -154.4 | 135.6 | 121.5 | 64.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 231 | N | 34 | Very low | 36.8 | Very low | 160 Ų | 160 | 151.1 Ų | 151.1 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | | | trans | -83.8 | 125.4 | 172.6 | -98.5 | -68.8 | 0 | 0 | 0 | 109 | | |
| 232 | V | 37.4 | Very low | 37.4 | Very low | 137 Ų | 137 | 151 Ų | 151 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | | | trans | -144 | 130.8 | 149.9 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 233 | K | 40.8 | Very low | 38 | Very low | 201 Ų | 201 | 149.6 Ų | 149.6 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | trans | -109.9 | 109 | -171.3 | -173.1 | -174.6 | -166.8 | -178.2 | 0 | 108.2 | | |
| 234 | V | 33.9 | Very low | 38.1 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | -148.2 | 134.2 | 158.8 | 178.9 | 0 | 0 | 0 | 0 | 109 | | |
| 235 | N | 38.2 | Very low | 38.6 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | | | trans | -52.6 | 135 | -175.2 | -59.1 | -59 | 0 | 0 | 0 | 114.2 | | |
| 236 | D | 34.3 | Very low | 39.5 | Very low | 134 Ų | 134 | 151.5 Ų | 151.5 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | | | trans | -141.3 | 120.4 | 147.9 | -162.8 | 9.6 | 0 | 0 | 0 | 109 | | |
| 237 | V | 45.2 | Very low | 40.1 | Very low | 137 Ų | 137 | 149.6 Ų | 149.6 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | | | trans | -90.7 | 105.9 | 176 | 172.1 | 0 | 0 | 0 | 0 | 106.3 | | |
| 238 | Q | 39.1 | Very low | 40.6 | Very low | 154 Ų | 154 | 151.1 Ų | 151.1 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | | | trans | -108.4 | 136.5 | 170.9 | -81.2 | -79.2 | -34.4 | 0 | 0 | 110.2 | | |
| 239 | P | 44.4 | Very low | 41.5 | Very low | 104 Ų | 104 | 150.6 Ų | 150.6 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | | | trans | -78.1 | 149.7 | -169.6 | 30.6 | -32.6 | 0 | 0 | 0 | 113.1 | R241 | P239-R241 PolarHBondContact O-N 3.33Š|
| 240 | V | 42.8 | Very low | 42.4 | Very low | 132 Ų | 132 | 154 Ų | 154 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | | | trans | -19.6 | 113.6 | 167.2 | 178.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 241 | R | 39.3 | Very low | 43.2 | Very low | 248 Ų | 248 | 159.3 Ų | 159.3 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | | | trans | -91.8 | 106 | 162.6 | -83.6 | -176.8 | 167.2 | 172.4 | -2.3 | 110 | P239 | P239-R241 PolarHBondContact O-N 3.33Š|
| 242 | K | 45.5 | Very low | 43.9 | Very low | 183 Ų | 183 | 161 Ų | 161 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | | | trans | -59.4 | 139.4 | 166 | -67.1 | 171.7 | 178.7 | 175.2 | 0 | 109.5 | H244 | K242-H244 PolarHBondContact O-N 3.43Š|
| 243 | P | 46.6 | Very low | 43.8 | Very low | 122 Ų | 122 | 166.2 Ų | 166.2 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | | | trans | -65.5 | 123 | 171.6 | 23.7 | -28.6 | 0 | 0 | 0 | 109.9 | F245 | P243-F245 PolarHBondContact O-N 2.89Š|
| 244 | H | 46.1 | Very low | 44.1 | Very low | 166 Ų | 166 | 164 Ų | 164 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | -67 | 98.2 | 178.2 | -171.3 | -68.4 | 0 | 0 | 0 | 109.7 | K242 K246 | K242-H244 PolarHBondContact O-N 3.43Å; H244-K246 PolarHBondContact O-N 3.17Å |
| 245 | F | 43.1 | Very low | 44 | Very low | 185 Ų | 185 | 167.5 Ų | 167.5 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | | | trans | -63.8 | 105.4 | 172.6 | -131 | -92 | 0 | 0 | 0 | 108.3 | P243 G247 | P243-F245 PolarHBondContact O-N 2.89Å; F245-G247 PolarHBondContact O-N 3.36Å |
| 246 | K | 52.5 | Low | 44.2 | Very low | 176 Ų | 176 | 167.5 Ų | 167.5 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | | | trans | -66.6 | 120.6 | 171.1 | -68.8 | -158.2 | 179.5 | -168.8 | 0 | 107.8 | H244 V248 | H244-K246 PolarHBondContact O-N 3.17Å; K246-V248 PolarHBondContact O-N 3.23Å |
| 247 | G | 44.1 | Very low | 44.7 | Very low | 74 Ų | 74 | 168.7 Ų | 168.7 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | | | trans | -52.3 | 126.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113 | F245 K249 | F245-G247 PolarHBondContact O-N 3.36Å; G247-K249 PolarHBondContact O-N 3.23Å |
| 248 | V | 46 | Very low | 44.7 | Very low | 126 Ų | 126 | 167.1 Ų | 167.1 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | | | trans | -67.6 | 114.1 | 166.2 | 174.5 | 0 | 0 | 0 | 0 | 107.6 | K246 K250 | K246-V248 PolarHBondContact O-N 3.23Å; V248-K250 PolarHBondContact O-N 2.91Å; V248-K250 VanDerWaalsContact O-N 3.13Å |
| 249 | K | 52.4 | Low | 44.8 | Very low | 192 Ų | 192 | 169.5 Ų | 169.5 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | trans | -59.1 | 113.5 | 174.9 | -169.1 | 172.2 | -177.1 | 175 | 0 | 109 | G247 R251 | G247-K249 PolarHBondContact O-N 3.23Å; K249-R251 PolarHBondContact O-N 3.08Å |
| 250 | K | 49.5 | Very low | 44.7 | Very low | 198 Ų | 198 | 171.7 Ų | 171.7 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | | | trans | -54.6 | 112.7 | 172 | -72.8 | -176.2 | 176.8 | 177.2 | 0 | 108.9 | V248 K252 | V248-K250 PolarHBondContact O-N 2.91Å; V248-K250 VanDerWaalsContact O-N 3.13Å; K250-K252 PolarHBondContact O-N 3.3Å |
| 251 | R | 51.2 | Low | 44.6 | Very low | 231 Ų | 231 | 174.9 Ų | 174.9 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | | | trans | -71 | 113.7 | 164.1 | -81 | -175.8 | -74.6 | -162.3 | -2.5 | 107.2 | K249 W253 | K249-R251 PolarHBondContact O-N 3.08Å; R251-W253 PolarHBondContact O-N 3.22Å |
| 252 | K | 48.8 | Very low | 45 | Very low | 194 Ų | 194 | 169 Ų | 169 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | | | trans | -66.1 | 118.5 | 166.1 | -73.9 | 178.9 | 174.8 | -178.9 | 0 | 107.1 | K250 I254 | K250-K252 PolarHBondContact O-N 3.3Å; K252-I254 PolarHBondContact O-N 3.38Å |
| 253 | W | 36.8 | Very low | 44.5 | Very low | 248 Ų | 248 | 163.8 Ų | 163.8 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | | | trans | -71.2 | 115 | 165.8 | -69.1 | 91.5 | 0 | 0 | 0 | 107.3 | R251 | R251-W253 PolarHBondContact O-N 3.22Š|
| 254 | I | 46.5 | Very low | 44.2 | Very low | 153 Ų | 153 | 163.8 Ų | 163.8 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | -92.7 | 120.2 | 166.2 | -59 | 173.9 | 0 | 0 | 0 | 105.1 | K252 D256 | K252-I254 PolarHBondContact O-N 3.38Å; I254-D256 PolarHBondContact O-N 3.25Å |
| 255 | Y | 32 | Very low | 43.6 | Very low | 205 Ų | 205 | 159.3 Ų | 159.3 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | -68.6 | 119.1 | 170.4 | -160.8 | -94.9 | 0 | 0 | 0 | 107.3 | E257 | Y255-E257 PolarHBondContact O-N 3.27Š|
| 256 | D | 41.2 | Very low | 43.3 | Very low | 155 Ų | 155 | 158.5 Ų | 158.5 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | | | trans | -80.2 | 106.2 | 174.3 | -142.5 | -4.5 | 0 | 0 | 0 | 107.4 | I254 | I254-D256 PolarHBondContact O-N 3.25Š|
| 257 | E | 46.1 | Very low | 42.4 | Very low | 159 Ų | 159 | 161.8 Ų | 161.8 | 74% | 0.743 | 82% | 0.819 | S | S | * | * | | | trans | -64.7 | 129 | 176.7 | -132.3 | 177.6 | -177.5 | 0 | 0 | 108.9 | Y255 K259 | Y255-E257 PolarHBondContact O-N 3.27Å; E257-K259 PolarHBondContact O-N 3.09Å |
| 258 | P | 44.8 | Very low | 42 | Very low | 105 Ų | 105 | 170 Ų | 170 | 68% | 0.682 | 83% | 0.827 | S | S | * | * | | | trans | -65 | 110.1 | 174.9 | 23.6 | -29.8 | 0 | 0 | 0 | 109.3 | N260 | P258-N260 PolarHBondContact O-N 2.99Š|
| 259 | K | 41.3 | Very low | 41.5 | Very low | 203 Ų | 203 | 168.3 Ų | 168.3 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | | | trans | -56.5 | 107.3 | 174 | -85.8 | 174.7 | 177.6 | 169.8 | 0 | 110.2 | E257 | E257-K259 PolarHBondContact O-N 3.09Š|
| 260 | N | 42.4 | Very low | 40.9 | Very low | 151 Ų | 151 | 164.8 Ų | 164.8 | 81% | 0.807 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 133.5 | 158.4 | -73.7 | -75.7 | 0 | 0 | 0 | 109.2 | P258 | P258-N260 PolarHBondContact O-N 2.99Š|
| 261 | F | 41.3 | Very low | 40.3 | Very low | 199 Ų | 199 | 163.7 Ų | 163.7 | 87% | 0.873 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 130.1 | 173.5 | -68.6 | -88.8 | 0 | 0 | 0 | 110.3 | | |
| 262 | P | 46.7 | Very low | 39.7 | Very low | 124 Ų | 124 | 160.1 Ų | 160.1 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -74 | 132.9 | 174.7 | 28.8 | -29.7 | 0 | 0 | 0 | 109.9 | | |
| 263 | G | 35.2 | Very low | 39.5 | Very low | 74 Ų | 74 | 156.5 Ų | 156.5 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 138.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G265 | G263-G265 PolarHBondContact O-N 2.96Å; G263-G265 VanDerWaalsContact O-N 3.09Å |
| 264 | S | 39.3 | Very low | 39.7 | Very low | 121 Ų | 121 | 150.6 Ų | 150.6 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | trans | -62.6 | 107.5 | 168.4 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 265 | G | 34.1 | Very low | 39.6 | Very low | 72 Ų | 72 | 148.9 Ų | 148.9 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | | | trans | -67.7 | 134.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G263 | G263-G265 PolarHBondContact O-N 2.96Å; G263-G265 VanDerWaalsContact O-N 3.09Å |
| 266 | M | 36.7 | Very low | 40.3 | Very low | 169 Ų | 169 | 148.1 Ų | 148.1 | 83% | 0.833 | 80% | 0.797 | S | S | * | * | | | trans | -133.2 | 107.5 | 167.8 | -162.8 | 87.8 | 74.2 | 0 | 0 | 109.6 | | |
| 267 | R | 34.7 | Very low | 40.1 | Very low | 244 Ų | 244 | 147.9 Ų | 147.9 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | | | trans | -149.6 | 103.3 | 145.9 | -82.4 | -160 | -178.4 | -150.7 | 0.1 | 109.5 | | |
| 268 | R | 35.6 | Very low | 40 | Very low | 246 Ų | 246 | 149.8 Ų | 149.8 | 93% | 0.928 | 80% | 0.797 | S | S | * | * | | | | -160.5 | 138.6 | 121.5 | -100.8 | -174.1 | -71 | -150.5 | 5 | 108.8 | | |
| 269 | A | 35.2 | Very low | 39.9 | Very low | 91 Ų | 91 | 151.3 Ų | 151.3 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | trans | -81.3 | 174.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 270 | V | 38.8 | Very low | 39.7 | Very low | 118 Ų | 118 | 146 Ų | 146 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | | | trans | 105 | 123.3 | 154.2 | -150 | 0 | 0 | 0 | 0 | 116.4 | | |
| 271 | H | 38.2 | Very low | 39.3 | Very low | 175 Ų | 175 | 149.6 Ų | 149.6 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | | | trans | 100.7 | 93.4 | 162.1 | -66.3 | -64.8 | 0 | 0 | 0 | 118.9 | | |
| 272 | I | 38.4 | Very low | 39.3 | Very low | 157 Ų | 157 | 148.1 Ų | 148.1 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | | | trans | -63.3 | 138.3 | 151.9 | -62.2 | 159.6 | 0 | 0 | 0 | 108.5 | | |
| 273 | P | 44 | Very low | 39.1 | Very low | 117 Ų | 117 | 150.7 Ų | 150.7 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | | -129.1 | 133 | 110.5 | 11.4 | 9.3 | 0 | 0 | 0 | 112.3 | P275 | P273-P275 WeakPolarHBondContact O-CD 3.47Š|
| 274 | N | 41 | Very low | 39.3 | Very low | 124 Ų | 124 | 153.2 Ų | 153.2 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | | | trans | -53.6 | 136 | 171.7 | -179.1 | 1.4 | 0 | 0 | 0 | 112.7 | K276 | N274-K276 PolarHBondContact OD1-N 3.18Å; N274-K276 VanDerWaalsContact OD1-N 3.09Å |
| 275 | P | 43.8 | Very low | 39.4 | Very low | 118 Ų | 118 | 153.9 Ų | 153.9 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | trans | -131.4 | 119.2 | 138.2 | 29.1 | -11.6 | 0 | 0 | 0 | 112.3 | P273 H277 | P273-P275 WeakPolarHBondContact O-CD 3.47Å; P275-H277 PolarHBondContact O-N 3.21Å |
| 276 | K | 48 | Very low | 40.1 | Very low | 188 Ų | 188 | 158.4 Ų | 158.4 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | | | trans | -35.1 | 116.2 | 165.4 | -60 | 167.4 | 179.2 | 175.6 | 0 | 113.1 | N274 | N274-K276 PolarHBondContact OD1-N 3.18Å; N274-K276 VanDerWaalsContact OD1-N 3.09Å |
| 277 | H | 36.5 | Very low | 40.6 | Very low | 150 Ų | 150 | 156.6 Ų | 156.6 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | | | trans | -150.7 | 114.6 | 148.6 | -155.4 | -73.3 | 0 | 0 | 0 | 110.6 | P275 M279 | P275-H277 PolarHBondContact O-N 3.21Å; H277-M279 HydrophobicContact CB-CE 4.15Å; H277-M279 WeakPolarHBondContact ND1-CE 3.5Å; H277-M279 PolarHBondContact ND1-SD 3.13Å |
| 278 | K | 44.9 | Very low | 41.1 | Very low | 200 Ų | 200 | 155.9 Ų | 155.9 | 87% | 0.87 | 76% | 0.761 | S | S | * | * | | | trans | -74.6 | 124.7 | 179.5 | -64.8 | -177.9 | 176.7 | -176.1 | 0 | 109.3 | | |
| 279 | M | 42.4 | Very low | 41.4 | Very low | 136 Ų | 136 | 151.8 Ų | 151.8 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | | | trans | -120.1 | 88.4 | 160.6 | -39.5 | -59.6 | -175.8 | 0 | 0 | 107.1 | H277 Y281 | H277-M279 HydrophobicContact CB-CE 4.15Å; H277-M279 WeakPolarHBondContact ND1-CE 3.5Å; H277-M279 PolarHBondContact ND1-SD 3.13Å; M279-Y281 PolarHBondContact O-N 3.23Å |
| 280 | S | 36.3 | Very low | 41.8 | Very low | 92 Ų | 92 | 152.1 Ų | 152.1 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | | | trans | -79.1 | 108 | 170.9 | 170 | 0 | 0 | 0 | 0 | 107.7 | H282 | S280-H282 PolarHBondContact OG-CD2 3.3Š|
| 281 | Y | 34.9 | Very low | 42.1 | Very low | 226 Ų | 226 | 154.6 Ų | 154.6 | 89% | 0.886 | 76% | 0.764 | S | S | * | * | | | trans | -92 | 98.8 | 159.4 | -80.5 | -81.8 | 0 | 0 | 0 | 107.6 | M279 H283 | M279-Y281 PolarHBondContact O-N 3.23Å; Y281-H283 PolarHBondContact O-N 3.39Å |
| 282 | H | 40.3 | Very low | 42.1 | Very low | 169 Ų | 169 | 153.5 Ų | 153.5 | 78% | 0.782 | 76% | 0.764 | S | S | * | * | | | trans | -68.8 | 121.9 | 173.3 | -114 | -76.7 | 0 | 0 | 0 | 109.8 | S280 H284 | S280-H282 PolarHBondContact OG-CD2 3.3Å; H282-H284 PolarHBondContact O-N 3.41Å; H282-H284 VanDerWaalsContact O-N 3.15Å |
| 283 | H | 42.5 | Very low | 41.9 | Very low | 178 Ų | 178 | 150.7 Ų | 150.7 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | trans | -63.3 | 106.3 | 166.9 | -145.2 | -70.9 | 0 | 0 | 0 | 108.4 | Y281 N285 | Y281-H283 PolarHBondContact O-N 3.39Å; H283-N285 PolarHBondContact O-N 3.36Å |
| 284 | H | 39.2 | Very low | 42 | Very low | 127 Ų | 127 | 150.9 Ų | 150.9 | 59% | 0.588 | 77% | 0.769 | S | S | * | * | | | trans | -97.2 | 78.9 | -178.7 | -168.3 | -69.8 | 0 | 0 | 0 | 110.4 | H282 K286 | H282-H284 PolarHBondContact O-N 3.41Å; H282-H284 VanDerWaalsContact O-N 3.15Å; H284-K286 WeakPolarHBondContact CE1-CD 3.48Å; H284-K286 WeakPolarHBondContact CE1-CE 3.24Å; H284-K286 WeakPolarHBondContact CE1-CG 3.34Å; H284-K286 PolarHBondContact CE1-NZ 3.28Å; H284-K286 WeakPolarHBondContact NE2-CD 3.23Å; H284-K286 WeakPolarHBondContact NE2-CE 3.37Å; H284-K286 PolarHBondContact NE2-NZ 3.34Å |
| 285 | N | 42.2 | Very low | 41.7 | Very low | 134 Ų | 134 | 153.9 Ų | 153.9 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | | | trans | -80.7 | 106.2 | 159.6 | -174.1 | 0.4 | 0 | 0 | 0 | 107.6 | H283 | H283-N285 PolarHBondContact O-N 3.36Š|
| 286 | K | 49.4 | Very low | 41.5 | Very low | 167 Ų | 167 | 154.2 Ų | 154.2 | 73% | 0.726 | 77% | 0.772 | S | S | * | * | | | trans | -107.2 | 83.2 | 167.5 | -91.5 | -168.4 | -165 | 145.8 | 0 | 109.5 | H284 | H284-K286 WeakPolarHBondContact CE1-CD 3.48Å; H284-K286 WeakPolarHBondContact CE1-CE 3.24Å; H284-K286 WeakPolarHBondContact CE1-CG 3.34Å; H284-K286 PolarHBondContact CE1-NZ 3.28Å; H284-K286 WeakPolarHBondContact NE2-CD 3.23Å; H284-K286 WeakPolarHBondContact NE2-CE 3.37Å; H284-K286 PolarHBondContact NE2-NZ 3.34Å |
| 287 | N | 45.6 | Very low | 41 | Very low | 132 Ų | 132 | 153.6 Ų | 153.6 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | -76.5 | 117.4 | 137.1 | 142 | 9.9 | 0 | 0 | 0 | 106.2 | | |
| 288 | R | 45.8 | Very low | 41.1 | Very low | 229 Ų | 229 | 150.3 Ų | 150.3 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | trans | -160.5 | 105.5 | 147.9 | -138.9 | 176 | -178.5 | -178.6 | -0.2 | 110.1 | | |
| 289 | N | 41.1 | Very low | 41 | Very low | 159 Ų | 159 | 147 Ų | 147 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | | | trans | -66.2 | 136.4 | 160.1 | -72.2 | -20.2 | 0 | 0 | 0 | 109 | | |
| 290 | A | 43.9 | Very low | 40.7 | Very low | 98 Ų | 98 | 152 Ų | 152 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | | | trans | -144.6 | 131.7 | 155.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 291 | E | 45.7 | Very low | 40.5 | Very low | 170 Ų | 170 | 155.4 Ų | 155.4 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | -79.6 | 169 | -160.7 | -60.5 | 153.7 | 153.9 | 0 | 0 | 113.2 | | |
| 292 | N | 37.1 | Very low | 40.6 | Very low | 152 Ų | 152 | 149.5 Ų | 149.5 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | | | trans | 84.4 | 93.2 | 156.3 | -51.2 | -39.6 | 0 | 0 | 0 | 118.4 | | |
| 293 | A | 35.1 | Very low | 40.3 | Very low | 99 Ų | 99 | 147.5 Ų | 147.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | | -175.1 | 109.7 | 119.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y295 | A293-Y295 PolarHBondContact O-N 3.34Š|
| 294 | S | 46.4 | Very low | 40.3 | Very low | 120 Ų | 120 | 151 Ų | 151 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | | | trans | -63.8 | 118.3 | 164.4 | 51.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 295 | Y | 34.4 | Very low | 40.1 | Very low | 188 Ų | 188 | 150.9 Ų | 150.9 | 74% | 0.737 | 80% | 0.803 | S | S | * | * | | | trans | -132.1 | 92.3 | 162.3 | -166.3 | -102.4 | 0 | 0 | 0 | 109.6 | A293 | A293-Y295 PolarHBondContact O-N 3.34Š|
| 296 | T | 39.8 | Very low | 39.6 | Very low | 124 Ų | 124 | 150.6 Ų | 150.6 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | | | trans | -64.2 | 127.1 | 166.7 | 21.4 | 0 | 0 | 0 | 0 | 109.8 | A298 | T296-A298 PolarHBondContact O-N 3.36Š|
| 297 | H | 37.9 | Very low | 38.7 | Very low | 176 Ų | 176 | 148 Ų | 148 | 82% | 0.815 | 80% | 0.804 | S | S | * | * | | | trans | -78 | 106 | 160.4 | -83.1 | -82.7 | 0 | 0 | 0 | 108.7 | | |
| 298 | A | 38.1 | Very low | 38.2 | Very low | 80 Ų | 80 | 148.5 Ų | 148.5 | 66% | 0.661 | 81% | 0.806 | S | S | * | * | | | trans | -104.7 | 145.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | T296 | T296-A298 PolarHBondContact O-N 3.36Š|
| 299 | P | 42.2 | Very low | 37.6 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | | | trans | -73 | 136.4 | -177.8 | 32.6 | -34.8 | 0 | 0 | 0 | 110.1 | | |
| 300 | R | 36.6 | Very low | 37.3 | Very low | 240 Ų | 240 | 141.8 Ų | 141.8 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | | | trans | -94.9 | 112.8 | 174.8 | -78.9 | -163.1 | 175 | -171.7 | 0.2 | 110.5 | | |
| 301 | D | 32.2 | Very low | 37.7 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | trans | -80.2 | 135.7 | 150.1 | -76.5 | -39.3 | 0 | 0 | 0 | 109.4 | | |
| 302 | A | 36.7 | Very low | 37.6 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | | | trans | -123.2 | 113.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 303 | V | 35.2 | Very low | 37.9 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | | | trans | -80.1 | 138.4 | 177.1 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 304 | R | 41 | Very low | 37.9 | Very low | 252 Ų | 252 | 145.7 Ų | 145.7 | 95% | 0.951 | 80% | 0.803 | S | S | * | * | | | trans | -111.4 | 140.4 | 151.4 | -82.2 | -174.8 | 175.5 | 134.9 | -2.3 | 109.1 | | |
| 305 | T | 36.2 | Very low | 37.6 | Very low | 124 Ų | 124 | 151.4 Ų | 151.4 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | | | trans | -88.5 | 173.2 | -174.2 | 38.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 306 | V | 30.9 | Very low | 38.3 | Very low | 128 Ų | 128 | 148.1 Ų | 148.1 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | | | trans | 104.6 | 122.7 | 164.2 | -178.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 307 | T | 30.8 | Very low | 38.1 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 68% | 0.681 | 81% | 0.812 | S | S | * | * | | | cis | -165.1 | 151.3 | 11.2 | 9.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 308 | L | 35.1 | Very low | 37.9 | Very low | 143 Ų | 143 | 145.7 Ų | 145.7 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | | | trans | 59.4 | 103.1 | 143.3 | -61 | 164 | 0 | 0 | 0 | 121.7 | | |
| 309 | N | 33.3 | Very low | 37.5 | Very low | 158 Ų | 158 | 152.9 Ų | 152.9 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | | | | 164.1 | 136.9 | 102.7 | -83.3 | -40.1 | 0 | 0 | 0 | 111.7 | | |
| 310 | A | 35.7 | Very low | 37.5 | Very low | 89 Ų | 89 | 150.8 Ų | 150.8 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | | | trans | -114.8 | -162.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 311 | P | 50.4 | Low | 37.5 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | | -119.7 | -152.3 | -74.4 | 38.5 | -19.3 | 0 | 0 | 0 | 109.1 | | |
| 312 | P | 45.4 | Very low | 37.7 | Very low | 119 Ų | 119 | 149.1 Ų | 149.1 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | cis | -142.1 | 177.5 | 0.9 | 39.3 | -16.4 | 0 | 0 | 0 | 118.7 | | |
| 313 | R | 43.3 | Very low | 37.9 | Very low | 247 Ų | 247 | 154.5 Ų | 154.5 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | | | trans | -34.8 | 149.7 | 162.7 | -71.2 | 170.9 | 160.4 | -128.9 | -2.1 | 118.4 | | |
| 314 | S | 34.1 | Very low | 37.9 | Very low | 117 Ų | 117 | 152.5 Ų | 152.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -156.7 | 103.9 | 140.7 | 57.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 315 | R | 39.8 | Very low | 37.4 | Very low | 240 Ų | 240 | 147.7 Ų | 147.7 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | | | | 73.7 | 133.4 | 91.8 | -151.7 | 176.8 | -150.6 | -147.9 | 7 | 115.4 | | |
| 316 | P | 50.1 | Low | 37.5 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | | | trans | -93 | 158.6 | 178.7 | 37.4 | -34.2 | 0 | 0 | 0 | 112.9 | | |
| 317 | T | 35.3 | Very low | 37.7 | Very low | 140 Ų | 140 | 147.8 Ų | 147.8 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | | | trans | -143 | 129.3 | 171.4 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 318 | S | 34.1 | Very low | 38 | Very low | 110 Ų | 110 | 151.3 Ų | 151.3 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | -66.6 | 147.5 | 172.4 | 65.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 319 | R | 30.1 | Very low | 38.2 | Very low | 231 Ų | 231 | 152.5 Ų | 152.5 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | | | trans | -161.6 | 133.8 | 136.9 | -141.8 | 171.8 | -173.1 | 178 | 0.8 | 112.8 | | |
| 320 | S | 41.4 | Very low | 38.9 | Very low | 87 Ų | 87 | 150.7 Ų | 150.7 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | | | trans | -66.9 | 158.9 | 175 | 53.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 321 | Y | 36.6 | Very low | 39 | Very low | 216 Ų | 216 | 154.8 Ų | 154.8 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | | | | -165.8 | 138.1 | 121.9 | -102.8 | -75.5 | 0 | 0 | 0 | 111.8 | | |
| 322 | N | 36 | Very low | 38.3 | Very low | 153 Ų | 153 | 157 Ų | 157 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -77.9 | 151.2 | 177.4 | -64.7 | -53.7 | 0 | 0 | 0 | 112.5 | | |
| 323 | K | 40.8 | Very low | 38.1 | Very low | 214 Ų | 214 | 158.7 Ų | 158.7 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | | | trans | -134.4 | 120.2 | 149.2 | -83.4 | -86.4 | -178.8 | 168 | 0 | 108.3 | | |
| 324 | A | 35.5 | Very low | 37.7 | Very low | 86 Ų | 86 | 154.8 Ų | 154.8 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | trans | -96.3 | 145.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 325 | D | 30.9 | Very low | 37.7 | Very low | 152 Ų | 152 | 154.9 Ų | 154.9 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | trans | 171.5 | 105.9 | 135.6 | -99.3 | -31 | 0 | 0 | 0 | 107.4 | | |
| 326 | V | 38.9 | Very low | 37.9 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 62% | 0.618 | 79% | 0.793 | S | S | * | * | | | | 63.1 | 112.9 | 83.3 | 179.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 327 | N | 33.8 | Very low | 37.1 | Very low | 152 Ų | 152 | 149.6 Ų | 149.6 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | | | trans | -175.6 | 92.9 | 135.1 | -85.3 | -39.4 | 0 | 0 | 0 | 108 | | |
| 328 | K | 37.4 | Very low | 37.4 | Very low | 185 Ų | 185 | 151 Ų | 151 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | | 65.5 | 106.8 | 101.6 | -68.1 | -130.6 | -179.7 | -175.5 | 0 | 114.5 | | |
| 329 | E | 39 | Very low | 37.4 | Very low | 168 Ų | 168 | 154.8 Ų | 154.8 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | -53.9 | 153.3 | 155.6 | -74.8 | 178.8 | 139.6 | 0 | 0 | 111.5 | | |
| 330 | P | 48 | Very low | 37.5 | Very low | 119 Ų | 119 | 152.3 Ų | 152.3 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | | -128 | 127.7 | 129 | 23 | -6.1 | 0 | 0 | 0 | 112.2 | | |
| 331 | K | 39.1 | Very low | 37.2 | Very low | 176 Ų | 176 | 154 Ų | 154 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | | | trans | -58.9 | 129.6 | 163.6 | -75.5 | 169.1 | 175.7 | 169.8 | 0 | 110.3 | | |
| 332 | L | 35.2 | Very low | 37 | Very low | 165 Ų | 165 | 150.4 Ų | 150.4 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | -130.1 | 117.4 | 155.3 | -71.1 | 177 | 0 | 0 | 0 | 108.8 | | |
| 333 | N | 41 | Very low | 37.4 | Very low | 154 Ų | 154 | 147.8 Ų | 147.8 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | | | trans | -69 | 127.3 | 168.3 | -65 | -76.2 | 0 | 0 | 0 | 108.9 | | |
| 334 | L | 34.6 | Very low | 36.9 | Very low | 165 Ų | 165 | 148.7 Ų | 148.7 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | | | trans | -159 | 115.6 | 154.4 | -92.8 | 123.8 | 0 | 0 | 0 | 109.4 | | |
| 335 | C | 34.8 | Very low | 37.2 | Very low | 119 Ų | 119 | 151.9 Ų | 151.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -79.2 | 141.5 | 158.7 | -166.5 | 0 | 0 | 0 | 0 | 107.1 | | |
| 336 | P | 43.3 | Very low | 37.5 | Very low | 114 Ų | 114 | 147.2 Ų | 147.2 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | | -148.8 | 146.5 | 90.7 | 34.3 | -14.5 | 0 | 0 | 0 | 115.7 | | |
| 337 | D | 32.8 | Very low | 37.8 | Very low | 133 Ų | 133 | 148.1 Ų | 148.1 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | | | trans | 41.3 | 143.7 | 131.8 | -153.8 | 20.8 | 0 | 0 | 0 | 121.9 | | |
| 338 | K | 42.8 | Very low | 38.5 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | | | trans | 84.9 | 88.7 | 166.4 | -48.6 | 178.4 | -176.3 | 179 | 0 | 118.2 | | |
| 339 | H | 32.7 | Very low | 38.9 | Very low | 190 Ų | 190 | 148.8 Ų | 148.8 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | | | | -157.4 | 113.8 | 122.6 | -113.5 | 43.2 | 0 | 0 | 0 | 111.7 | S341 | H339-S341 PolarHBondContact O-N 3.31Š|
| 340 | M | 32.3 | Very low | 39.6 | Very low | 179 Ų | 179 | 151.7 Ų | 151.7 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | | | trans | -67.5 | 121.7 | 172.2 | -63 | -165.3 | 74.1 | 0 | 0 | 109 | T342 | M340-T342 PolarHBondContact O-N 3.35Š|
| 341 | S | 35.8 | Very low | 39.7 | Very low | 122 Ų | 122 | 157.4 Ų | 157.4 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | | | trans | -76.9 | 104.4 | 164.9 | -69.9 | 0 | 0 | 0 | 0 | 108.3 | H339 S343 | H339-S341 PolarHBondContact O-N 3.31Å; S341-S343 VanDerWaalsContact C-N 3.34Å; S341-S343 PolarHBondContact O-N 3.07Å |
| 342 | T | 32.8 | Very low | 39.7 | Very low | 140 Ų | 140 | 160.3 Ų | 160.3 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | | | trans | -68.4 | 88.9 | 175.2 | -21.7 | 0 | 0 | 0 | 0 | 109.2 | M340 Y344 | M340-T342 PolarHBondContact O-N 3.35Å; T342-Y344 PolarHBondContact O-N 3.13Å |
| 343 | S | 43.1 | Very low | 40.4 | Very low | 99 Ų | 99 | 159.7 Ų | 159.7 | 69% | 0.692 | 82% | 0.817 | S | S | * | * | | | trans | -68.1 | 119.2 | 162.8 | 58 | 0 | 0 | 0 | 0 | 108.4 | S341 N345 | S341-S343 VanDerWaalsContact C-N 3.34Å; S341-S343 PolarHBondContact O-N 3.07Å; S343-N345 PolarHBondContact O-N 3.33Å |
| 344 | Y | 30.3 | Very low | 41 | Very low | 233 Ų | 233 | 157.8 Ų | 157.8 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | | | trans | -50.3 | 108.2 | 177.1 | -162.7 | -100.6 | 0 | 0 | 0 | 110.6 | T342 G346 | T342-Y344 PolarHBondContact O-N 3.13Å; Y344-G346 PolarHBondContact O-N 3.23Å |
| 345 | N | 43.2 | Very low | 41.4 | Very low | 153 Ų | 153 | 159 Ų | 159 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -79.6 | 112.6 | -176.2 | -124.8 | -21.9 | 0 | 0 | 0 | 109.4 | S343 | S343-N345 PolarHBondContact O-N 3.33Š|
| 346 | G | 37.3 | Very low | 41.7 | Very low | 53 Ų | 53 | 158.2 Ų | 158.2 | 55% | 0.546 | 81% | 0.807 | S | S | . | * | | | trans | -68.4 | 127.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y344 A348 | Y344-G346 PolarHBondContact O-N 3.23Å; G346-A348 PolarHBondContact O-N 3Å |
| 347 | S | 44.1 | Very low | 41.7 | Very low | 121 Ų | 121 | 162 Ų | 162 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | | | trans | 43.4 | 60.2 | 136.8 | -38.1 | 0 | 0 | 0 | 0 | 118.3 | W349 | S347-W349 PolarHBondContact O-N 3.24Š|
| 348 | A | 48.9 | Very low | 42.2 | Very low | 92 Ų | 92 | 161.8 Ų | 161.8 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | | | trans | -91.4 | 38.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G346 | G346-A348 PolarHBondContact O-N 3Š|
| 349 | W | 46.6 | Very low | 41.9 | Very low | 259 Ų | 259 | 164.3 Ų | 164.3 | 98% | 0.981 | 82% | 0.822 | S | S | * | * | | | trans | -100 | 16.6 | 177.2 | -74.3 | 82.6 | 0 | 0 | 0 | 115 | S347 | S347-W349 PolarHBondContact O-N 3.24Š|
| 350 | R | 52.8 | Low | 42.4 | Very low | 230 Ų | 230 | 160.4 Ų | 160.4 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | | | trans | -121.3 | 105 | 161.6 | -105.3 | -168.6 | -170.3 | -86.4 | 1.1 | 108.4 | | |
| 351 | R | 50.7 | Low | 42.9 | Very low | 238 Ų | 238 | 159.8 Ų | 159.8 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | | | trans | 157 | 101.8 | 139.1 | -84.4 | 163.1 | 84.5 | 133.5 | 9.9 | 109.8 | | |
| 352 | R | 39.3 | Very low | 43.3 | Very low | 237 Ų | 237 | 160.4 Ų | 160.4 | 89% | 0.894 | 81% | 0.808 | S | S | * | * | | | trans | -167.2 | 92.6 | 136.2 | -101.7 | -169 | -62.4 | -123.9 | 6.3 | 108.6 | | |
| 353 | I | 50.3 | Low | 43.8 | Very low | 153 Ų | 153 | 160.3 Ų | 160.3 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -101.1 | 112.1 | 145.8 | -60 | 172.7 | 0 | 0 | 0 | 104 | | |
| 354 | P | 52.9 | Low | 44 | Very low | 113 Ų | 113 | 164.8 Ų | 164.8 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | trans | -77.7 | 122.3 | 166.9 | -2.4 | 19.7 | 0 | 0 | 0 | 108.7 | | |
| 355 | F | 42 | Very low | 44.6 | Very low | 192 Ų | 192 | 159.2 Ų | 159.2 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | | | trans | -59.1 | 143.5 | 174.8 | -76 | -95.5 | 0 | 0 | 0 | 112.8 | | |
| 356 | S | 42.7 | Very low | 44.5 | Very low | 101 Ų | 101 | 162.2 Ų | 162.2 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | | | trans | 15.6 | 113.9 | 148.8 | 57.7 | 0 | 0 | 0 | 0 | 118.7 | | |
| 357 | K | 42.9 | Very low | 45.2 | Very low | 195 Ų | 195 | 164.6 Ų | 164.6 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | | | trans | -84.7 | 115.9 | 150.4 | -81.9 | -177.3 | 176.9 | 176.5 | 0 | 109.3 | | |
| 358 | T | 42.4 | Very low | 45.5 | Very low | 127 Ų | 127 | 167.5 Ų | 167.5 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | | | trans | -63.7 | 121.4 | 160.5 | 43.2 | 0 | 0 | 0 | 0 | 110 | | |
| 359 | Y | 37.4 | Very low | 45.9 | Very low | 223 Ų | 223 | 169 Ų | 169 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | | | trans | -112.8 | 111.2 | 155.7 | -101.1 | -84.5 | 0 | 0 | 0 | 108.3 | | |
| 360 | S | 42.8 | Very low | 45.8 | Very low | 109 Ų | 109 | 167.9 Ų | 167.9 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | trans | -83.3 | 125.5 | 174.4 | 33.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 361 | K | 42.4 | Very low | 45.6 | Very low | 165 Ų | 165 | 168.2 Ų | 168.2 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | | | trans | 60.8 | 111 | 141.9 | -157.1 | 169.6 | -171.9 | 171.7 | 0 | 119 | E363 | K361-E363 VanDerWaalsContact CE-OE2 3.27Å; K361-E363 WeakPolarHBondContact CE-OE2 3.46Å; K361-E363 IonicContact NZ-OE2 3.51Å |
| 362 | T | 44.3 | Very low | 45.2 | Very low | 136 Ų | 136 | 164.9 Ų | 164.9 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | | | | -137.7 | 119.7 | 117.2 | 47.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 363 | E | 43.3 | Very low | 45.2 | Very low | 137 Ų | 137 | 157.2 Ų | 157.2 | 64% | 0.64 | 80% | 0.795 | S | S | * | * | | | trans | -82.3 | 112 | 175.8 | -178.7 | 178.9 | 174.8 | 0 | 0 | 107 | K361 V365 | K361-E363 VanDerWaalsContact CE-OE2 3.27Å; K361-E363 WeakPolarHBondContact CE-OE2 3.46Å; K361-E363 IonicContact NZ-OE2 3.51Å; E363-V365 HydrophobicContact CG-CG2 4.31Å |
| 364 | K | 46.8 | Very low | 44.9 | Very low | 194 Ų | 194 | 155.5 Ų | 155.5 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | -100.4 | 97.5 | 164.8 | -72 | -161.6 | -179.3 | -178.8 | 0 | 108.1 | Y366 | K364-Y366 PolarHBondContact O-N 3.05Š|
| 365 | V | 43.3 | Very low | 44.3 | Very low | 115 Ų | 115 | 163.3 Ų | 163.3 | 70% | 0.697 | 82% | 0.819 | S | S | * | * | | | trans | -55.7 | 114.3 | 163.9 | 177 | 0 | 0 | 0 | 0 | 107.9 | E363 | E363-V365 HydrophobicContact CG-CG2 4.31Š|
| 366 | Y | 41.1 | Very low | 44.4 | Very low | 217 Ų | 217 | 161.9 Ų | 161.9 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 124 | 161.7 | -129.8 | -89.3 | 0 | 0 | 0 | 107 | K364 E368 | K364-Y366 PolarHBondContact O-N 3.05Å; Y366-E368 PolarHBondContact O-N 3.25Å |
| 367 | P | 52.3 | Low | 44.5 | Very low | 102 Ų | 102 | 165.1 Ų | 165.1 | 66% | 0.662 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -71 | 122.1 | 175.6 | 26.9 | -29.7 | 0 | 0 | 0 | 109.5 | P369 | P367-P369 WeakPolarHBondContact O-CD 3.19Š|
| 368 | E | 50.6 | Low | 44.6 | Very low | 182 Ų | 182 | 163.4 Ų | 163.4 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 120.9 | 169.1 | -165.5 | 176.3 | -146.3 | 0 | 0 | 110.1 | Y366 R370 | Y366-E368 PolarHBondContact O-N 3.25Å; E368-R370 PolarHBondContact O-N 3.37Å |
| 369 | P | 56.4 | Low | 44.7 | Very low | 124 Ų | 124 | 165.5 Ų | 165.5 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 118.2 | 166.9 | -11.7 | 29.7 | 0 | 0 | 0 | 109.1 | P367 | P367-P369 WeakPolarHBondContact O-CD 3.19Š|
| 370 | R | 45.3 | Very low | 45.2 | Very low | 236 Ų | 236 | 161.9 Ų | 161.9 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 144.2 | 176.4 | -74 | -176.9 | 155.9 | 160.2 | -4.1 | 114 | E368 | E368-R370 PolarHBondContact O-N 3.37Š|
| 371 | R | 48.7 | Very low | 45.3 | Very low | 237 Ų | 237 | 165.5 Ų | 165.5 | 89% | 0.894 | 83% | 0.826 | S | S | * | * | | | trans | -24 | 130.4 | 155.9 | -68 | -179.7 | 174 | 176.4 | -2.3 | 114.2 | | |
| 372 | N | 42 | Very low | 45.5 | Very low | 167 Ų | 167 | 165.5 Ų | 165.5 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | | | trans | -149.3 | 116 | 138.3 | -71.9 | -39 | 0 | 0 | 0 | 103.3 | | |
| 373 | G | 40 | Very low | 45.6 | Very low | 77 Ų | 77 | 167.8 Ų | 167.8 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | | | | 117.9 | 122.2 | 66.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 374 | S | 42.7 | Very low | 45.8 | Very low | 117 Ų | 117 | 170.3 Ų | 170.3 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | | | trans | -48.2 | 135.9 | 177.3 | 167.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 375 | K | 40.9 | Very low | 45.7 | Very low | 276 Ų | 276 | 168.2 Ų | 168.2 | 100% | 1.2 | 85% | 0.851 | S | S | * | * | | | | -172.6 | 0 | 117.6 | -103.9 | 175 | 180 | 178.3 | 0 | 111.4 | | |