| 1 | M | 40.8 | Very low | 73.3 | Confident | 238 Ų | 238 | 93.9 Ų | 93.9 | 100% | 1.172 | 51% | 0.514 | S | S | * | . | | | | 0 | 160.6 | 0 | -66.8 | 167.9 | -179 | 0 | 0 | 107.3 | D3 | M1-D3 PolarHBondContact O-N 2.68Š|
| 2 | S | 49.6 | Very low | 74.4 | Confident | 101 Ų | 101 | 94.4 Ų | 94.4 | 71% | 0.706 | 53% | 0.525 | S | S | * | . | | | trans | -68.4 | 130.2 | -174.5 | -49.5 | 0 | 0 | 0 | 0 | 112.2 | D4 | S2-D4 WeakPolarHBondContact CB-OD2 3.41Å; S2-D4 PolarHBondContact O-N 3.28Å |
| 3 | D | 60 | Low | 74.9 | Confident | 123 Ų | 123 | 92.9 Ų | 92.9 | 66% | 0.658 | 54% | 0.544 | S | S | * | . | | | trans | -76.8 | 55.1 | 168.2 | -88.4 | -75.6 | 0 | 0 | 0 | 111.3 | M1 K5 | M1-D3 PolarHBondContact O-N 2.68Å; D3-K5 PolarHBondContact O-N 2.83Å; D3-K5 IonicContact OD1-NZ 3.42Å; D3-K5 PolarHBondContact OD1-NZ 3.29Å |
| 4 | D | 66.3 | Low | 75.9 | Confident | 118 Ų | 118 | 88.9 Ų | 88.9 | 63% | 0.631 | 52% | 0.523 | S | S | * | . | | | trans | -73.1 | 73 | 177.5 | -82.7 | -55.5 | 0 | 0 | 0 | 110.8 | S2 P6 | S2-D4 WeakPolarHBondContact CB-OD2 3.41Å; S2-D4 PolarHBondContact O-N 3.28Å; D4-P6 VanDerWaalsContact O-CD 3.25Å; D4-P6 WeakPolarHBondContact O-CD 3.44Å |
| 5 | K | 73.3 | Confident | 76.4 | Confident | 81 Ų | 81 | 85.7 Ų | 85.7 | 35% | 0.352 | 52% | 0.516 | S | S | . | . | | | trans | -109.1 | 70.6 | 162.6 | -66.5 | 164.2 | -172.3 | 143.4 | 0 | 107.4 | D3 F7 R17 F18 T19 | D3-K5 PolarHBondContact O-N 2.83Å; D3-K5 IonicContact OD1-NZ 3.42Å; D3-K5 PolarHBondContact OD1-NZ 3.29Å; K5-F7 PolarHBondContact O-N 2.98Å; K5-R17 HydrophobicContact CB-CB 3.9Å; K5-F18 CarbonylContact C-O 3.3Å; K5-F18 VanDerWaalsContact C-O 3.3Å; K5-F18 WeakPolarHBondContact CA-O 3.46Å; K5-F18 WeakPolarHBondContact CB-O 3.3Å; K5-T19 HydrophobicContact CG-CG2 3.76Å |
| 6 | P | 80.4 | Confident | 77 | Confident | 85 Ų | 85 | 86.5 Ų | 86.5 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | | | trans | -68.1 | -23.8 | -171.1 | 28.7 | -36.1 | 0 | 0 | 0 | 112.4 | D4 Q8 | D4-P6 VanDerWaalsContact O-CD 3.25Å; D4-P6 WeakPolarHBondContact O-CD 3.44Å; P6-Q8 PolarHBondContact O-N 3.15Å |
| 7 | F | 82.8 | Confident | 77.7 | Confident | 59 Ų | 59 | 89.6 Ų | 89.6 | 26% | 0.259 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 79.6 | -177.1 | -56.9 | -72.1 | 0 | 0 | 0 | 111.1 | K5 F18 N20 E21 L24 | K5-F7 PolarHBondContact O-N 2.98Å; F7-F18 HydrophobicContact CB-CB 4.22Å; F7-F18 PolarHBondContact N-O 3.32Å; F7-F18 WeakPolarHBondContact O-CD2 3.46Å; F7-F18 PolarHBondContact O-N 2.86Å; F7-N20 VanDerWaalsContact CD2-C 3.45Å; F7-E21 HydrophobicContact CD1-CB 3.71Å; F7-E21 HydrophobicContact CD1-CG 4.05Å; F7-E21 HydrophobicContact CE1-CB 3.61Å; F7-E21 HydrophobicContact CE1-CG 4.14Å; F7-E21 HydrophobicContact CE2-CB 4.47Å; F7-E21 HydrophobicContact CG-CB 4.21Å; F7-E21 HydrophobicContact CZ-CB 4.01Å; F7-L24 HydrophobicContact CB-CB 3.98Å; F7-L24 HydrophobicContact CB-CD2 3.73Å; F7-L24 HydrophobicContact CB-CG 4.44Å; F7-L24 HydrophobicContact CD1-CD2 4.45Å |
| 8 | Q | 89.3 | Confident | 78.2 | Confident | 80 Ų | 80 | 86.7 Ų | 86.7 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 137.6 | 174.8 | -172.5 | 170.4 | -33.6 | 0 | 0 | 112.3 | P6 T10 Q16 R17 | P6-Q8 PolarHBondContact O-N 3.15Å; Q8-T10 PolarHBondContact O-N 3.16Å; Q8-Q16 CarbonylContact C-O 3.59Å; Q8-Q16 WeakPolarHBondContact CA-O 3.47Å; Q8-R17 HydrophobicContact CB-CG 3.92Å; Q8-R17 HydrophobicContact CG-CG 3.87Å; Q8-R17 VanDerWaalsContact OE1-CZ 3.28Å |
| 9 | C | 90.5 | Very high | 78.8 | Confident | 3 Ų | 3 | 86.9 Ų | 86.9 | 2% | 0.02 | 50% | 0.497 | C | S | . | . | | | trans | -72.7 | 116.5 | 170.9 | -169.8 | 0 | 0 | 0 | 0 | 111.6 | A11 Q16 L24 H27 | C9-A11 VanDerWaalsContact C-N 3.29Å; C9-A11 VanDerWaalsContact SG-CB 3.52Å; C9-A11 PolarHBondContact SG-N 3.07Å; C9-Q16 PolarHBondContact N-O 3.42Å; C9-L24 HydrophobicContact CB-CD1 3.76Å; C9-H27 PolarHBondContact SG-CD2 2.83Å; C9-H27 PolarHBondContact SG-NE2 2.97Å; C9-H27 VanDerWaalsContact SG-NE2 3.43Å |
| 10 | T | 88.8 | Confident | 79.3 | Confident | 127 Ų | 127 | 85.8 Ų | 85.8 | 78% | 0.779 | 49% | 0.489 | S | S | * | . | | | trans | -80.5 | -3.1 | 176.3 | 52.2 | 0 | 0 | 0 | 0 | 114 | Q8 | Q8-T10 PolarHBondContact O-N 3.16Š|
| 11 | A | 84.5 | Confident | 79.9 | Confident | 18 Ų | 18 | 86.7 Ų | 86.7 | 15% | 0.149 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -62.8 | 133.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | C9 G13 C14 H31 | C9-A11 VanDerWaalsContact C-N 3.29Å; C9-A11 VanDerWaalsContact SG-CB 3.52Å; C9-A11 PolarHBondContact SG-N 3.07Å; A11-G13 PolarHBondContact O-N 2.95Å; A11-C14 HydrophobicContact CB-CB 4.3Å; A11-C14 WeakPolarHBondContact O-CB 3.46Å; A11-C14 PolarHBondContact O-N 3.44Å; A11-H31 HydrophobicContact CB-CB 4.18Å |
| 12 | P | 86.1 | Confident | 82.3 | Confident | 100 Ų | 100 | 80.4 Ų | 80.4 | 65% | 0.649 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 133.6 | -174.3 | 21.3 | -32.7 | 0 | 0 | 0 | 111.1 | C14 K36 | P12-C14 VanDerWaalsContact C-N 3.31Å; P12-C14 PolarHBondContact O-N 3.48Å; P12-K36 PolarHBondContact O-NZ 2.62Å |
| 13 | G | 81.4 | Confident | 84.3 | Confident | 75 Ų | 75 | 80.6 Ų | 80.6 | 77% | 0.773 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 11.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | A11 | A11-G13 PolarHBondContact O-N 2.95Š|
| 14 | C | 88.3 | Confident | 85.8 | Confident | 37 Ų | 37 | 75.3 Ų | 75.3 | 25% | 0.25 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -55.6 | -177.9 | -164.1 | 0 | 0 | 0 | 0 | 115.9 | A11 P12 Q16 H27 H31 | A11-C14 HydrophobicContact CB-CB 4.3Å; A11-C14 WeakPolarHBondContact O-CB 3.46Å; A11-C14 PolarHBondContact O-N 3.44Å; P12-C14 VanDerWaalsContact C-N 3.31Å; P12-C14 PolarHBondContact O-N 3.48Å; C14-Q16 PolarHBondContact O-N 3.18Å; C14-H27 PolarHBondContact SG-CE1 3.43Å; C14-H27 PolarHBondContact SG-NE2 2.91Å; C14-H31 PolarHBondContact SG-CE1 2.97Å; C14-H31 PolarHBondContact SG-NE2 3.14Å |
| 15 | G | 84.3 | Confident | 87 | Confident | 40 Ų | 40 | 72.1 Ų | 72.1 | 41% | 0.412 | 41% | 0.412 | S | S | . | . | | | trans | 64.4 | -3.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 16 | Q | 85.1 | Confident | 87.9 | Confident | 99 Ų | 99 | 73.5 Ų | 73.5 | 46% | 0.463 | 43% | 0.427 | S | S | . | . | | | trans | -60.4 | 142 | -177.9 | -70.9 | -159.8 | -29.9 | 0 | 0 | 112.3 | Q8 C9 C14 F18 H27 | Q8-Q16 CarbonylContact C-O 3.59Å; Q8-Q16 WeakPolarHBondContact CA-O 3.47Å; C9-Q16 PolarHBondContact N-O 3.42Å; C14-Q16 PolarHBondContact O-N 3.18Å; Q16-F18 HydrophobicContact CB-CE2 3.85Å; Q16-F18 HydrophobicContact CB-CZ 3.84Å; Q16-H27 PolarHBondContact OE1-CE1 3.47Å; Q16-H27 PolarHBondContact OE1-ND1 3.47Å; Q16-H27 VanDerWaalsContact OE1-ND1 3.15Å |
| 17 | R | 90.2 | Very high | 88.4 | Confident | 140 Ų | 140 | 70 Ų | 70 | 53% | 0.528 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 138.4 | -177.7 | -72.4 | -173.5 | 163.6 | -141.9 | -8.6 | 111.5 | K5 Q8 | K5-R17 HydrophobicContact CB-CB 3.9Å; Q8-R17 HydrophobicContact CB-CG 3.92Å; Q8-R17 HydrophobicContact CG-CG 3.87Å; Q8-R17 VanDerWaalsContact OE1-CZ 3.28Å |
| 18 | F | 86.9 | Confident | 88.7 | Confident | 36 Ų | 36 | 72 Ų | 72 | 16% | 0.158 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 148.4 | -176.9 | -58.3 | -81.3 | 0 | 0 | 0 | 111.3 | K5 F7 Q16 N20 H23 L24 H27 | K5-F18 CarbonylContact C-O 3.3Å; K5-F18 VanDerWaalsContact C-O 3.3Å; K5-F18 WeakPolarHBondContact CA-O 3.46Å; K5-F18 WeakPolarHBondContact CB-O 3.3Å; F7-F18 HydrophobicContact CB-CB 4.22Å; F7-F18 PolarHBondContact N-O 3.32Å; F7-F18 WeakPolarHBondContact O-CD2 3.46Å; F7-F18 PolarHBondContact O-N 2.86Å; Q16-F18 HydrophobicContact CB-CE2 3.85Å; Q16-F18 HydrophobicContact CB-CZ 3.84Å; F18-N20 VanDerWaalsContact C-N 3.32Å; F18-N20 WeakPolarHBondContact CB-O 3.26Å; F18-H23 HydrophobicContact CB-CB 4.06Å; F18-H23 HydrophobicContact CD1-CB 3.55Å; F18-H23 HydrophobicContact CE1-CB 4.33Å; F18-H23 HydrophobicContact CG-CB 3.96Å; F18-L24 HydrophobicContact CB-CB 4.34Å; F18-L24 HydrophobicContact CD2-CB 3.78Å; F18-L24 HydrophobicContact CD2-CD1 3.97Å; F18-L24 HydrophobicContact CD2-CG 4.48Å; F18-L24 HydrophobicContact CE2-CD1 4.19Å; F18-L24 HydrophobicContact CG-CB 4.27Å; F18-H27 HydrophobicContact CE1-CB 4.43Å; F18-H27 HydrophobicContact CE2-CB 3.87Å; F18-H27 AromaticContact CE2-CD2 3.81Å; F18-H27 AromaticContact CE2-CG 3.64Å; F18-H27 AromaticContact CE2-ND1 3.98Å; F18-H27 HydrophobicContact CZ-CB 3.68Å; F18-H27 AromaticContact CZ-CG 3.47Å; F18-H27 VanDerWaalsContact CZ-CG 3.47Å; F18-H27 AromaticContact CZ-ND1 3.44Å; F18-H27 WeakPolarHBondContact CZ-ND1 3.47Å |
| 19 | T | 89.4 | Confident | 88.7 | Confident | 91 Ų | 91 | 72.5 Ų | 72.5 | 56% | 0.558 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -72.2 | -26.4 | 172.4 | 43.5 | 0 | 0 | 0 | 0 | 112.6 | K5 | K5-T19 HydrophobicContact CG-CG2 3.76Š|
| 20 | N | 89.1 | Confident | 88.5 | Confident | 64 Ų | 64 | 78 Ų | 78 | 34% | 0.342 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -132.9 | 148.1 | -176.6 | -176.3 | 16.2 | 0 | 0 | 0 | 110.9 | F7 F18 D22 H23 L24 | F7-N20 VanDerWaalsContact CD2-C 3.45Å; F18-N20 VanDerWaalsContact C-N 3.32Å; F18-N20 WeakPolarHBondContact CB-O 3.26Å; N20-D22 VanDerWaalsContact C-N 3.33Å; N20-D22 PolarHBondContact ND2-OD2 2.98Å; N20-D22 PolarHBondContact O-N 2.84Å; N20-H23 PolarHBondContact O-N 3.41Å; N20-L24 PolarHBondContact O-N 3.45Å |
| 21 | E | 90 | Very high | 88.3 | Confident | 106 Ų | 106 | 73.5 Ų | 73.5 | 50% | 0.495 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66 | -32.6 | 178.8 | -168.6 | 150.8 | -162.7 | 0 | 0 | 112.4 | F7 H23 L24 A25 | F7-E21 HydrophobicContact CD1-CB 3.71Å; F7-E21 HydrophobicContact CD1-CG 4.05Å; F7-E21 HydrophobicContact CE1-CB 3.61Å; F7-E21 HydrophobicContact CE1-CG 4.14Å; F7-E21 HydrophobicContact CE2-CB 4.47Å; F7-E21 HydrophobicContact CG-CB 4.21Å; F7-E21 HydrophobicContact CZ-CB 4.01Å; E21-H23 VanDerWaalsContact C-N 3.31Å; E21-H23 PolarHBondContact O-N 3.07Å; E21-L24 CarbonylContact O-C 3.47Å; E21-L24 WeakPolarHBondContact O-CA 3.22Å; E21-L24 WeakPolarHBondContact O-CB 3.49Å; E21-L24 PolarHBondContact O-N 3.02Å; E21-A25 WeakPolarHBondContact O-CB 3.38Å; E21-A25 PolarHBondContact O-N 3.35Å |
| 22 | D | 92.2 | Very high | 88.1 | Confident | 105 Ų | 105 | 79.3 Ų | 79.3 | 56% | 0.561 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -57.3 | -43.6 | 177.6 | -62.4 | -52.3 | 0 | 0 | 0 | 112.3 | N20 L24 A25 V26 | N20-D22 VanDerWaalsContact C-N 3.33Å; N20-D22 PolarHBondContact ND2-OD2 2.98Å; N20-D22 PolarHBondContact O-N 2.84Å; D22-L24 VanDerWaalsContact C-N 3.34Å; D22-A25 PolarHBondContact O-N 3.08Å; D22-V26 WeakPolarHBondContact O-CG2 3.11Å; D22-V26 PolarHBondContact O-N 3.01Å |
| 23 | H | 91.8 | Very high | 87.5 | Confident | 106 Ų | 106 | 81 Ų | 81 | 49% | 0.491 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.6 | -36.9 | 177.1 | -58.8 | -37.4 | 0 | 0 | 0 | 111.4 | F18 N20 E21 H27 | F18-H23 HydrophobicContact CB-CB 4.06Å; F18-H23 HydrophobicContact CD1-CB 3.55Å; F18-H23 HydrophobicContact CE1-CB 4.33Å; F18-H23 HydrophobicContact CG-CB 3.96Å; N20-H23 PolarHBondContact O-N 3.41Å; E21-H23 VanDerWaalsContact C-N 3.31Å; E21-H23 PolarHBondContact O-N 3.07Å; H23-H27 WeakPolarHBondContact O-CB 3.48Å; H23-H27 PolarHBondContact O-N 3.37Å |
| 24 | L | 91.9 | Very high | 86.8 | Confident | 12 Ų | 12 | 81.1 Ų | 81.1 | 6% | 0.063 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 171.6 | 173.5 | 61.9 | 0 | 0 | 0 | 111.7 | F7 C9 F18 N20 E21 D22 H27 K28 | F7-L24 HydrophobicContact CB-CB 3.98Å; F7-L24 HydrophobicContact CB-CD2 3.73Å; F7-L24 HydrophobicContact CB-CG 4.44Å; F7-L24 HydrophobicContact CD1-CD2 4.45Å; C9-L24 HydrophobicContact CB-CD1 3.76Å; F18-L24 HydrophobicContact CB-CB 4.34Å; F18-L24 HydrophobicContact CD2-CB 3.78Å; F18-L24 HydrophobicContact CD2-CD1 3.97Å; F18-L24 HydrophobicContact CD2-CG 4.48Å; F18-L24 HydrophobicContact CE2-CD1 4.19Å; F18-L24 HydrophobicContact CG-CB 4.27Å; N20-L24 PolarHBondContact O-N 3.45Å; E21-L24 CarbonylContact O-C 3.47Å; E21-L24 WeakPolarHBondContact O-CA 3.22Å; E21-L24 WeakPolarHBondContact O-CB 3.49Å; E21-L24 PolarHBondContact O-N 3.02Å; D22-L24 VanDerWaalsContact C-N 3.34Å; L24-H27 CarbonylContact O-C 3.58Å; L24-H27 PolarHBondContact O-N 2.83Å; L24-K28 HydrophobicContact CD1-CD 3.8Å; L24-K28 HydrophobicContact CD1-CG 3.9Å; L24-K28 HydrophobicContact CD2-CD 4.27Å; L24-K28 HydrophobicContact CG-CD 3.73Å; L24-K28 HydrophobicContact CG-CG 4.28Å; L24-K28 WeakPolarHBondContact O-CB 3.45Å; L24-K28 VanDerWaalsContact O-CG 3.27Å; L24-K28 WeakPolarHBondContact O-CG 3.01Å; L24-K28 PolarHBondContact O-N 3.14Å |
| 25 | A | 91.4 | Very high | 85.4 | Confident | 51 Ų | 51 | 84.4 Ų | 84.4 | 42% | 0.421 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67 | -51.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E21 D22 H27 K28 H29 | E21-A25 WeakPolarHBondContact O-CB 3.38Å; E21-A25 PolarHBondContact O-N 3.35Å; D22-A25 PolarHBondContact O-N 3.08Å; A25-H27 VanDerWaalsContact C-N 3.25Å; A25-H27 PolarHBondContact O-N 3.21Å; A25-K28 PolarHBondContact O-N 3Å; A25-K28 VanDerWaalsContact O-N 3.13Å; A25-H29 WeakPolarHBondContact O-CB 3.3Å; A25-H29 PolarHBondContact O-N 3.39Å |
| 26 | V | 91.2 | Very high | 84.1 | Confident | 110 Ų | 110 | 86.8 Ų | 86.8 | 67% | 0.667 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -59.2 | -38.9 | 173.5 | 175.5 | 0 | 0 | 0 | 0 | 111 | D22 H29 K30 | D22-V26 WeakPolarHBondContact O-CG2 3.11Å; D22-V26 PolarHBondContact O-N 3.01Å; V26-H29 PolarHBondContact O-N 2.96Å; V26-K30 PolarHBondContact O-N 3.22Å |
| 27 | H | 91.9 | Very high | 82.5 | Confident | 11 Ų | 11 | 86.6 Ų | 86.6 | 5% | 0.051 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -68.6 | -37.3 | 175.5 | 175.6 | 99.2 | 0 | 0 | 0 | 113.3 | C9 C14 Q16 F18 H23 L24 A25 K30 H31 | C9-H27 PolarHBondContact SG-CD2 2.83Å; C9-H27 PolarHBondContact SG-NE2 2.97Å; C9-H27 VanDerWaalsContact SG-NE2 3.43Å; C14-H27 PolarHBondContact SG-CE1 3.43Å; C14-H27 PolarHBondContact SG-NE2 2.91Å; Q16-H27 PolarHBondContact OE1-CE1 3.47Å; Q16-H27 PolarHBondContact OE1-ND1 3.47Å; Q16-H27 VanDerWaalsContact OE1-ND1 3.15Å; F18-H27 HydrophobicContact CE1-CB 4.43Å; F18-H27 HydrophobicContact CE2-CB 3.87Å; F18-H27 AromaticContact CE2-CD2 3.81Å; F18-H27 AromaticContact CE2-CG 3.64Å; F18-H27 AromaticContact CE2-ND1 3.98Å; F18-H27 HydrophobicContact CZ-CB 3.68Å; F18-H27 AromaticContact CZ-CG 3.47Å; F18-H27 VanDerWaalsContact CZ-CG 3.47Å; F18-H27 AromaticContact CZ-ND1 3.44Å; F18-H27 WeakPolarHBondContact CZ-ND1 3.47Å; H23-H27 WeakPolarHBondContact O-CB 3.48Å; H23-H27 PolarHBondContact O-N 3.37Å; L24-H27 CarbonylContact O-C 3.58Å; L24-H27 PolarHBondContact O-N 2.83Å; A25-H27 VanDerWaalsContact C-N 3.25Å; A25-H27 PolarHBondContact O-N 3.21Å; H27-K30 WeakPolarHBondContact O-CB 3.12Å; H27-K30 PolarHBondContact O-N 3Å; H27-H31 AromaticContact CD2-CD2 3.77Å; H27-H31 AromaticContact CD2-NE2 3.48Å; H27-H31 PolarHBondContact CD2-NE2 3.14Å; H27-H31 AromaticContact CE1-NE2 3.59Å; H27-H31 AromaticContact NE2-CD2 3.67Å; H27-H31 AromaticContact NE2-CE1 3.97Å; H27-H31 AromaticContact NE2-NE2 2.89Å; H27-H31 PolarHBondContact NE2-NE2 2.9Å; H27-H31 PolarHBondContact O-CD2 2.87Å; H27-H31 PolarHBondContact O-N 3.42Å |
| 28 | K | 89.3 | Confident | 80.5 | Confident | 101 Ų | 101 | 82.6 Ų | 82.6 | 44% | 0.439 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 173.4 | -79.6 | 166.2 | 66.3 | -175.3 | 0 | 110.9 | L24 A25 K30 H31 E32 | L24-K28 HydrophobicContact CD1-CD 3.8Å; L24-K28 HydrophobicContact CD1-CG 3.9Å; L24-K28 HydrophobicContact CD2-CD 4.27Å; L24-K28 HydrophobicContact CG-CD 3.73Å; L24-K28 HydrophobicContact CG-CG 4.28Å; L24-K28 WeakPolarHBondContact O-CB 3.45Å; L24-K28 VanDerWaalsContact O-CG 3.27Å; L24-K28 WeakPolarHBondContact O-CG 3.01Å; L24-K28 PolarHBondContact O-N 3.14Å; A25-K28 PolarHBondContact O-N 3Å; A25-K28 VanDerWaalsContact O-N 3.13Å; K28-K30 PolarHBondContact O-N 3.28Å; K28-H31 WeakPolarHBondContact O-CA 3.47Å; K28-H31 WeakPolarHBondContact O-CB 3.21Å; K28-H31 PolarHBondContact O-N 3.07Å; K28-E32 PolarHBondContact O-N 3.48Å; K28-E32 VanDerWaalsContact O-N 3.09Å |
| 29 | H | 89.1 | Confident | 78.9 | Confident | 91 Ų | 91 | 86 Ų | 86 | 42% | 0.421 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.3 | -30.3 | 174.2 | -166 | 57.4 | 0 | 0 | 0 | 112.3 | A25 V26 H31 E32 M33 | A25-H29 WeakPolarHBondContact O-CB 3.3Å; A25-H29 PolarHBondContact O-N 3.39Å; V26-H29 PolarHBondContact O-N 2.96Å; H29-H31 VanDerWaalsContact C-N 3.34Å; H29-H31 PolarHBondContact O-N 3.16Å; H29-E32 IonicContact CE1-OE2 3.63Å; H29-E32 IonicContact CG-OE2 3.76Å; H29-E32 IonicContact ND1-OE2 2.75Å; H29-E32 PolarHBondContact ND1-OE2 3.31Å; H29-E32 WeakPolarHBondContact O-CB 3.38Å; H29-E32 PolarHBondContact O-N 3Å; H29-M33 WeakPolarHBondContact CE1-CE 3.17Å; H29-M33 WeakPolarHBondContact O-CB 3.41Å; H29-M33 WeakPolarHBondContact O-CG 3.19Å; H29-M33 PolarHBondContact O-N 3.21Å |
| 30 | K | 86 | Confident | 76.9 | Confident | 117 Ų | 117 | 86.5 Ų | 86.5 | 51% | 0.509 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.7 | -32.7 | 169.5 | -168.6 | -179.9 | 65.9 | 176.4 | 0 | 113.2 | V26 H27 K28 T34 | V26-K30 PolarHBondContact O-N 3.22Å; H27-K30 WeakPolarHBondContact O-CB 3.12Å; H27-K30 PolarHBondContact O-N 3Å; K28-K30 PolarHBondContact O-N 3.28Å; K30-T34 WeakPolarHBondContact O-CB 3.41Å; K30-T34 PolarHBondContact O-N 3.06Å; K30-T34 VanDerWaalsContact O-N 3.09Å; K30-T34 PolarHBondContact O-OG1 2.9Å |
| 31 | H | 84.1 | Confident | 75 | Confident | 34 Ų | 34 | 94 Ų | 94 | 16% | 0.157 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -76.2 | -27.8 | 173.5 | -67.4 | -73 | 0 | 0 | 0 | 112.9 | A11 C14 H27 K28 H29 T34 K36 | A11-H31 HydrophobicContact CB-CB 4.18Å; C14-H31 PolarHBondContact SG-CE1 2.97Å; C14-H31 PolarHBondContact SG-NE2 3.14Å; H27-H31 AromaticContact CD2-CD2 3.77Å; H27-H31 AromaticContact CD2-NE2 3.48Å; H27-H31 PolarHBondContact CD2-NE2 3.14Å; H27-H31 AromaticContact CE1-NE2 3.59Å; H27-H31 AromaticContact NE2-CD2 3.67Å; H27-H31 AromaticContact NE2-CE1 3.97Å; H27-H31 AromaticContact NE2-NE2 2.89Å; H27-H31 PolarHBondContact NE2-NE2 2.9Å; H27-H31 PolarHBondContact O-CD2 2.87Å; H27-H31 PolarHBondContact O-N 3.42Å; K28-H31 WeakPolarHBondContact O-CA 3.47Å; K28-H31 WeakPolarHBondContact O-CB 3.21Å; K28-H31 PolarHBondContact O-N 3.07Å; H29-H31 VanDerWaalsContact C-N 3.34Å; H29-H31 PolarHBondContact O-N 3.16Å; H31-T34 VanDerWaalsContact O-O 3.06Å; H31-K36 HydrophobicContact CB-CD 4.09Å; H31-K36 PolarHBondContact CE1-NZ 3.46Å; H31-K36 WeakPolarHBondContact ND1-CE 3.39Å; H31-K36 PolarHBondContact ND1-NZ 2.83Å |
| 32 | E | 81.1 | Confident | 72.8 | Confident | 139 Ų | 139 | 94.2 Ų | 94.2 | 65% | 0.65 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69 | -47.2 | 172.2 | -177 | -177.5 | -175.1 | 0 | 0 | 110.6 | K28 H29 T34 | K28-E32 PolarHBondContact O-N 3.48Å; K28-E32 VanDerWaalsContact O-N 3.09Å; H29-E32 IonicContact CE1-OE2 3.63Å; H29-E32 IonicContact CG-OE2 3.76Å; H29-E32 IonicContact ND1-OE2 2.75Å; H29-E32 PolarHBondContact ND1-OE2 3.31Å; H29-E32 WeakPolarHBondContact O-CB 3.38Å; H29-E32 PolarHBondContact O-N 3Å; E32-T34 VanDerWaalsContact C-N 3.28Å; E32-T34 PolarHBondContact O-N 3.28Å |
| 33 | M | 72.4 | Confident | 70.8 | Confident | 135 Ų | 135 | 96.5 Ų | 96.5 | 67% | 0.665 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -78.7 | -2.7 | 177.5 | -65.7 | -67.8 | 168.8 | 0 | 0 | 114.4 | H29 | H29-M33 WeakPolarHBondContact CE1-CE 3.17Å; H29-M33 WeakPolarHBondContact O-CB 3.41Å; H29-M33 WeakPolarHBondContact O-CG 3.19Å; H29-M33 PolarHBondContact O-N 3.21Å |
| 34 | T | 66.9 | Low | 68.6 | Low | 79 Ų | 79 | 99.1 Ų | 99.1 | 49% | 0.485 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -122.3 | 99.4 | 176.9 | -51.5 | 0 | 0 | 0 | 0 | 109.8 | K30 H31 E32 K36 | K30-T34 WeakPolarHBondContact O-CB 3.41Å; K30-T34 PolarHBondContact O-N 3.06Å; K30-T34 VanDerWaalsContact O-N 3.09Å; K30-T34 PolarHBondContact O-OG1 2.9Å; H31-T34 VanDerWaalsContact O-O 3.06Å; E32-T34 VanDerWaalsContact C-N 3.28Å; E32-T34 PolarHBondContact O-N 3.28Å; T34-K36 WeakPolarHBondContact O-CG 3.41Å; T34-K36 PolarHBondContact O-N 2.74Å |
| 35 | L | 58 | Low | 66.9 | Low | 106 Ų | 106 | 106.4 Ų | 106.4 | 56% | 0.555 | 57% | 0.567 | S | S | * | * | | | trans | -51.1 | 109.6 | 176.8 | -71.9 | 164.7 | 0 | 0 | 0 | 111.2 | F37 L66 | L35-F37 PolarHBondContact O-N 2.88Å; L35-F37 VanDerWaalsContact O-N 3.12Å; L35-L66 HydrophobicContact CD1-CD1 3.72Å; L35-L66 HydrophobicContact CD1-CD2 4.27Å; L35-L66 HydrophobicContact CD2-CD1 4.44Å; L35-L66 HydrophobicContact CD2-CD2 3.97Å |
| 36 | K | 58.6 | Low | 65.1 | Low | 90 Ų | 90 | 110.4 Ų | 110.4 | 39% | 0.391 | 58% | 0.58 | S | S | . | * | | | trans | -85.1 | 89.3 | -169.6 | -59.8 | -155.8 | 76.1 | 173.9 | 0 | 112 | P12 H31 T34 G38 | P12-K36 PolarHBondContact O-NZ 2.62Å; H31-K36 HydrophobicContact CB-CD 4.09Å; H31-K36 PolarHBondContact CE1-NZ 3.46Å; H31-K36 WeakPolarHBondContact ND1-CE 3.39Å; H31-K36 PolarHBondContact ND1-NZ 2.83Å; T34-K36 WeakPolarHBondContact O-CG 3.41Å; T34-K36 PolarHBondContact O-N 2.74Å; K36-G38 PolarHBondContact O-N 3.15Å; K36-G38 VanDerWaalsContact O-N 3.14Å |
| 37 | F | 51.1 | Low | 63.1 | Low | 95 Ų | 95 | 112.9 Ų | 112.9 | 42% | 0.417 | 59% | 0.588 | S | S | . | * | | | trans | -54.8 | 119.6 | 153.6 | -60.3 | -72.7 | 0 | 0 | 0 | 108.2 | L35 N60 V64 | L35-F37 PolarHBondContact O-N 2.88Å; L35-F37 VanDerWaalsContact O-N 3.12Å; F37-N60 HydrophobicContact CE1-CB 3.85Å; F37-N60 HydrophobicContact CZ-CB 4.14Å; F37-V64 HydrophobicContact CD1-CG1 4.12Å; F37-V64 HydrophobicContact CE1-CG1 3.93Å; F37-V64 HydrophobicContact CE1-CG2 4.1Å |
| 38 | G | 48.3 | Very low | 61 | Low | 55 Ų | 55 | 116.9 Ų | 116.9 | 57% | 0.567 | 62% | 0.623 | S | S | * | * | | | trans | -64.7 | 164.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K36 A40 | K36-G38 PolarHBondContact O-N 3.15Å; K36-G38 VanDerWaalsContact O-N 3.14Å; G38-A40 PolarHBondContact O-N 3.31Å |
| 39 | P | 53.1 | Low | 59 | Low | 107 Ų | 107 | 117.6 Ų | 117.6 | 70% | 0.695 | 63% | 0.631 | S | S | * | * | | | trans | -52.1 | 114.1 | 173.5 | -25.4 | 34.9 | 0 | 0 | 0 | 110.3 | R41 | P39-R41 PolarHBondContact O-N 3.45Š|
| 40 | A | 46.5 | Very low | 57 | Low | 103 Ų | 103 | 121.5 Ų | 121.5 | 85% | 0.851 | 65% | 0.65 | S | S | * | * | | | trans | -58.5 | 122.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | G38 | G38-A40 PolarHBondContact O-N 3.31Š|
| 41 | R | 50.3 | Low | 55.2 | Low | 221 Ų | 221 | 120 Ų | 120 | 83% | 0.834 | 65% | 0.651 | S | S | * | * | | | trans | -73.6 | 136.9 | -174.4 | -65.9 | -179.1 | 61.8 | 179.7 | -0.8 | 110.5 | P39 | P39-R41 PolarHBondContact O-N 3.45Š|
| 42 | N | 44 | Very low | 53.5 | Low | 110 Ų | 110 | 124.2 Ų | 124.2 | 59% | 0.588 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 52.4 | 107.4 | 162.9 | 58.2 | -103.3 | 0 | 0 | 0 | 118.4 | N44 | N42-N44 PolarHBondContact O-N 2.73Š|
| 43 | D | 48.8 | Very low | 52.4 | Low | 154 Ų | 154 | 120.9 Ų | 120.9 | 82% | 0.824 | 67% | 0.67 | S | S | * | * | | | | 46.2 | 71.6 | 121.2 | -52.9 | -68.3 | 0 | 0 | 0 | 117.3 | | |
| 44 | N | 47 | Very low | 51.6 | Low | 160 Ų | 160 | 118.6 Ų | 118.6 | 86% | 0.856 | 67% | 0.665 | S | S | * | * | | | trans | -143.6 | 109 | 140.5 | -91 | -60.7 | 0 | 0 | 0 | 109.1 | N42 | N42-N44 PolarHBondContact O-N 2.73Š|
| 45 | L | 56.3 | Low | 51.4 | Low | 165 Ų | 165 | 119.4 Ų | 119.4 | 86% | 0.864 | 67% | 0.67 | S | S | * | * | | | trans | -72.3 | 144 | -178.7 | -168 | 66.9 | 0 | 0 | 0 | 110.1 | | |
| 46 | I | 53.1 | Low | 51.9 | Low | 136 Ų | 136 | 122.5 Ų | 122.5 | 70% | 0.697 | 68% | 0.675 | S | S | * | * | | | trans | 65.8 | 88.1 | 176.5 | -33.4 | -174.6 | 0 | 0 | 0 | 116 | A48 | I46-A48 HydrophobicContact CG2-CB 4.21Š|
| 47 | I | 48.6 | Very low | 52.4 | Low | 161 Ų | 161 | 124.4 Ų | 124.4 | 83% | 0.826 | 68% | 0.683 | S | S | * | * | | | | -120.1 | 90.1 | 129.4 | -59.4 | -178.4 | 0 | 0 | 0 | 107.1 | D49 | I47-D49 HydrophobicContact CG2-CB 3.95Å; I47-D49 PolarHBondContact O-N 3.34Å; I47-D49 VanDerWaalsContact O-N 3.16Å |
| 48 | A | 49.4 | Very low | 53.5 | Low | 95 Ų | 95 | 123.9 Ų | 123.9 | 79% | 0.785 | 68% | 0.684 | S | S | * | * | | | trans | -85.8 | 52.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | I46 | I46-A48 HydrophobicContact CG2-CB 4.21Š|
| 49 | D | 46.3 | Very low | 54.4 | Low | 116 Ų | 116 | 127.5 Ų | 127.5 | 62% | 0.62 | 68% | 0.684 | S | S | * | * | | | trans | -101.8 | 103.4 | 175.6 | -165.9 | -25.4 | 0 | 0 | 0 | 110.4 | I47 T51 | I47-D49 HydrophobicContact CG2-CB 3.95Å; I47-D49 PolarHBondContact O-N 3.34Å; I47-D49 VanDerWaalsContact O-N 3.16Å; D49-T51 VanDerWaalsContact C-N 3.34Å; D49-T51 PolarHBondContact O-N 2.8Å; D49-T51 VanDerWaalsContact O-N 3.15Å; D49-T51 PolarHBondContact OD1-OG1 3.12Å; D49-T51 VanDerWaalsContact OD1-OG1 3.07Å |
| 50 | Q | 47.4 | Very low | 55.1 | Low | 174 Ų | 174 | 124.3 Ų | 124.3 | 81% | 0.813 | 66% | 0.662 | S | S | * | * | | | trans | -82.5 | 75.9 | 175.5 | -90.1 | -81.7 | 29.2 | 0 | 0 | 110.8 | | |
| 51 | T | 47.3 | Very low | 56.2 | Low | 86 Ų | 86 | 119.9 Ų | 119.9 | 53% | 0.528 | 62% | 0.624 | S | S | . | * | | | trans | -124.9 | 102.5 | 160.6 | 33.7 | 0 | 0 | 0 | 0 | 111.3 | D49 T53 | D49-T51 VanDerWaalsContact C-N 3.34Å; D49-T51 PolarHBondContact O-N 2.8Å; D49-T51 VanDerWaalsContact O-N 3.15Å; D49-T51 PolarHBondContact OD1-OG1 3.12Å; D49-T51 VanDerWaalsContact OD1-OG1 3.07Å; T51-T53 PolarHBondContact O-N 3.36Å |
| 52 | P | 48.9 | Very low | 57.2 | Low | 121 Ų | 121 | 115.2 Ų | 115.2 | 79% | 0.786 | 61% | 0.612 | S | S | * | * | | | trans | -76.1 | 51.7 | 172.8 | 33.7 | -36.2 | 0 | 0 | 0 | 111.1 | | |
| 53 | T | 57.5 | Low | 58.5 | Low | 69 Ų | 69 | 117.2 Ų | 117.2 | 42% | 0.423 | 62% | 0.618 | S | S | . | * | | | trans | -67.6 | 123.1 | 179 | -51.9 | 0 | 0 | 0 | 0 | 108.6 | T51 T55 R56 | T51-T53 PolarHBondContact O-N 3.36Å; T53-T55 PolarHBondContact O-N 2.98Å; T53-R56 PolarHBondContact O-N 3.29Å |
| 54 | P | 56.7 | Low | 59.3 | Low | 87 Ų | 87 | 113.9 Ų | 113.9 | 57% | 0.565 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -57.8 | -28.4 | -170.4 | 20.4 | -32.6 | 0 | 0 | 0 | 112.9 | R56 F57 L58 | P54-R56 VanDerWaalsContact C-N 3.26Å; P54-R56 PolarHBondContact O-N 2.92Å; P54-F57 PolarHBondContact O-N 2.95Å; P54-F57 VanDerWaalsContact O-N 3.08Å; P54-L58 HydrophobicContact CB-CD1 4.43Å; P54-L58 WeakPolarHBondContact O-CB 3.44Å; P54-L58 VanDerWaalsContact O-CG 3.26Å; P54-L58 WeakPolarHBondContact O-CG 3.49Å; P54-L58 PolarHBondContact O-N 3.08Å |
| 55 | T | 61.7 | Low | 60.2 | Low | 97 Ų | 97 | 107.9 Ų | 107.9 | 60% | 0.595 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -51.9 | -36.9 | 174.7 | -30.3 | 0 | 0 | 0 | 0 | 113.9 | T53 K59 | T53-T55 PolarHBondContact O-N 2.98Å; T55-K59 WeakPolarHBondContact O-CB 3.47Å; T55-K59 PolarHBondContact O-N 2.82Å |
| 56 | R | 69.9 | Low | 60.5 | Low | 171 Ų | 171 | 101.7 Ų | 101.7 | 65% | 0.645 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -73 | -41.2 | 177.9 | -168.8 | -175.3 | -177.6 | -70.9 | -1.1 | 111.3 | T53 P54 K59 N60 | T53-R56 PolarHBondContact O-N 3.29Å; P54-R56 VanDerWaalsContact C-N 3.26Å; P54-R56 PolarHBondContact O-N 2.92Å; R56-K59 PolarHBondContact O-N 3.02Å; R56-N60 PolarHBondContact O-N 3.12Å; R56-N60 PolarHBondContact O-ND2 3.08Å |
| 57 | F | 67.8 | Low | 60.6 | Low | 129 Ų | 129 | 99.8 Ų | 99.8 | 57% | 0.566 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.8 | -48.5 | 175.6 | 179 | -99.7 | 0 | 0 | 0 | 110.9 | P54 K59 N60 C61 | P54-F57 PolarHBondContact O-N 2.95Å; P54-F57 VanDerWaalsContact O-N 3.08Å; F57-K59 VanDerWaalsContact C-N 3.34Å; F57-K59 PolarHBondContact O-N 3.3Å; F57-N60 PolarHBondContact O-N 3.1Å; F57-C61 PolarHBondContact O-N 3.14Å; F57-C61 PolarHBondContact O-SG 3.46Å; F57-C61 VanDerWaalsContact O-SG 3.35Å |
| 58 | L | 73.4 | Confident | 61.2 | Low | 84 Ų | 84 | 98.7 Ų | 98.7 | 44% | 0.44 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -52.8 | -49.5 | 174.1 | -68.8 | 165.7 | 0 | 0 | 0 | 111.2 | P54 N60 C61 E62 F67 | P54-L58 HydrophobicContact CB-CD1 4.43Å; P54-L58 WeakPolarHBondContact O-CB 3.44Å; P54-L58 VanDerWaalsContact O-CG 3.26Å; P54-L58 WeakPolarHBondContact O-CG 3.49Å; P54-L58 PolarHBondContact O-N 3.08Å; L58-N60 VanDerWaalsContact C-N 3.35Å; L58-N60 PolarHBondContact O-N 2.96Å; L58-C61 WeakPolarHBondContact O-CB 3.14Å; L58-C61 PolarHBondContact O-N 2.91Å; L58-C61 VanDerWaalsContact O-N 3.14Å; L58-E62 WeakPolarHBondContact O-CB 3.37Å; L58-E62 PolarHBondContact O-N 3Å; L58-F67 HydrophobicContact CD2-CZ 3.81Å |
| 59 | K | 68.7 | Low | 61.5 | Low | 132 Ų | 132 | 101.2 Ų | 101.2 | 57% | 0.574 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.2 | -34.8 | 177.2 | -172 | 173 | -178.8 | 179.5 | 0 | 113.6 | T55 R56 F57 C61 E62 E63 | T55-K59 WeakPolarHBondContact O-CB 3.47Å; T55-K59 PolarHBondContact O-N 2.82Å; R56-K59 PolarHBondContact O-N 3.02Å; F57-K59 VanDerWaalsContact C-N 3.34Å; F57-K59 PolarHBondContact O-N 3.3Å; K59-C61 VanDerWaalsContact C-N 3.34Å; K59-E62 WeakPolarHBondContact O-CB 3.41Å; K59-E62 PolarHBondContact O-N 3.33Å; K59-E63 VanDerWaalsContact O-CB 3.3Å; K59-E63 WeakPolarHBondContact O-CB 3.48Å; K59-E63 PolarHBondContact O-N 3.38Å |
| 60 | N | 68.3 | Low | 61.7 | Low | 40 Ų | 40 | 101.6 Ų | 101.6 | 21% | 0.214 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -68.5 | -36.1 | 174.5 | -81.2 | -124.4 | 0 | 0 | 0 | 110.9 | F37 R56 F57 L58 E63 V64 | F37-N60 HydrophobicContact CE1-CB 3.85Å; F37-N60 HydrophobicContact CZ-CB 4.14Å; R56-N60 PolarHBondContact O-N 3.12Å; R56-N60 PolarHBondContact O-ND2 3.08Å; F57-N60 PolarHBondContact O-N 3.1Å; L58-N60 VanDerWaalsContact C-N 3.35Å; L58-N60 PolarHBondContact O-N 2.96Å; N60-E63 PolarHBondContact O-N 2.97Å; N60-V64 WeakPolarHBondContact O-CG2 3.46Å; N60-V64 PolarHBondContact O-N 3.29Å |
| 61 | C | 69.6 | Low | 62 | Low | 10 Ų | 10 | 96 Ų | 96 | 7% | 0.068 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -69.5 | -33.9 | 173.9 | -67.1 | 0 | 0 | 0 | 0 | 113.2 | F57 L58 K59 G65 L66 F67 | F57-C61 PolarHBondContact O-N 3.14Å; F57-C61 PolarHBondContact O-SG 3.46Å; F57-C61 VanDerWaalsContact O-SG 3.35Å; L58-C61 WeakPolarHBondContact O-CB 3.14Å; L58-C61 PolarHBondContact O-N 2.91Å; L58-C61 VanDerWaalsContact O-N 3.14Å; K59-C61 VanDerWaalsContact C-N 3.34Å; C61-G65 PolarHBondContact O-N 2.89Å; C61-L66 HydrophobicContact CB-CB 4.46Å; C61-L66 HydrophobicContact CB-CD1 3.89Å; C61-L66 WeakPolarHBondContact O-CB 3.49Å; C61-L66 PolarHBondContact O-N 3.33Å; C61-F67 HydrophobicContact CB-CE2 4.3Å |
| 62 | E | 70.3 | Confident | 62.5 | Low | 123 Ų | 123 | 95.4 Ų | 95.4 | 58% | 0.575 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.1 | -44.9 | 170.6 | -171.5 | -179.1 | -166.3 | 0 | 0 | 111.3 | L58 K59 V64 G65 F67 | L58-E62 WeakPolarHBondContact O-CB 3.37Å; L58-E62 PolarHBondContact O-N 3Å; K59-E62 WeakPolarHBondContact O-CB 3.41Å; K59-E62 PolarHBondContact O-N 3.33Å; E62-V64 VanDerWaalsContact C-N 3.34Å; E62-V64 PolarHBondContact O-N 3.5Å; E62-G65 WeakPolarHBondContact O-CA 3.45Å; E62-G65 PolarHBondContact O-N 2.92Å; E62-F67 HydrophobicContact CB-CD2 3.81Å; E62-F67 HydrophobicContact CB-CE2 4.12Å; E62-F67 HydrophobicContact CG-CD2 4.28Å |
| 63 | E | 70.8 | Confident | 62.7 | Low | 152 Ų | 152 | 93.2 Ų | 93.2 | 71% | 0.71 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.6 | -30.2 | 178.2 | -170.4 | 170.6 | 178.8 | 0 | 0 | 113.2 | K59 N60 G65 | K59-E63 VanDerWaalsContact O-CB 3.3Å; K59-E63 WeakPolarHBondContact O-CB 3.48Å; K59-E63 PolarHBondContact O-N 3.38Å; N60-E63 PolarHBondContact O-N 2.97Å; E63-G65 VanDerWaalsContact C-N 3.34Å |
| 64 | V | 65.9 | Low | 62.2 | Low | 83 Ų | 83 | 97.2 Ų | 97.2 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 11.3 | 168.2 | -55.9 | 0 | 0 | 0 | 0 | 114 | F37 N60 E62 L66 | F37-V64 HydrophobicContact CD1-CG1 4.12Å; F37-V64 HydrophobicContact CE1-CG1 3.93Å; F37-V64 HydrophobicContact CE1-CG2 4.1Å; N60-V64 WeakPolarHBondContact O-CG2 3.46Å; N60-V64 PolarHBondContact O-N 3.29Å; E62-V64 VanDerWaalsContact C-N 3.34Å; E62-V64 PolarHBondContact O-N 3.5Å; V64-L66 HydrophobicContact CG2-CD1 3.64Å; V64-L66 HydrophobicContact CG2-CG 3.95Å; V64-L66 PolarHBondContact O-N 3.2Å |
| 65 | G | 65.4 | Low | 61.9 | Low | 35 Ų | 35 | 97.1 Ų | 97.1 | 36% | 0.361 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 6.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | C61 E62 E63 F67 N68 | C61-G65 PolarHBondContact O-N 2.89Å; E62-G65 WeakPolarHBondContact O-CA 3.45Å; E62-G65 PolarHBondContact O-N 2.92Å; E63-G65 VanDerWaalsContact C-N 3.34Å; G65-F67 PolarHBondContact O-N 3.48Å; G65-F67 VanDerWaalsContact O-N 3.16Å; G65-N68 VanDerWaalsContact O-CB 3.3Å; G65-N68 WeakPolarHBondContact O-CB 3.35Å; G65-N68 PolarHBondContact O-N 3.37Å |
| 66 | L | 63 | Low | 61.6 | Low | 35 Ų | 35 | 96.9 Ų | 96.9 | 18% | 0.183 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -61.8 | -27.7 | -173.9 | -70.2 | 160.8 | 0 | 0 | 0 | 113.5 | L35 C61 V64 N68 E69 L70 | L35-L66 HydrophobicContact CD1-CD1 3.72Å; L35-L66 HydrophobicContact CD1-CD2 4.27Å; L35-L66 HydrophobicContact CD2-CD1 4.44Å; L35-L66 HydrophobicContact CD2-CD2 3.97Å; C61-L66 HydrophobicContact CB-CB 4.46Å; C61-L66 HydrophobicContact CB-CD1 3.89Å; C61-L66 WeakPolarHBondContact O-CB 3.49Å; C61-L66 PolarHBondContact O-N 3.33Å; V64-L66 HydrophobicContact CG2-CD1 3.64Å; V64-L66 HydrophobicContact CG2-CG 3.95Å; V64-L66 PolarHBondContact O-N 3.2Å; L66-N68 VanDerWaalsContact C-N 3.32Å; L66-E69 PolarHBondContact O-N 3.43Å; L66-L70 WeakPolarHBondContact O-CG 3.27Å; L66-L70 PolarHBondContact O-N 3.07Å; L66-L70 VanDerWaalsContact O-N 3.07Å |
| 67 | F | 55.9 | Low | 60.8 | Low | 95 Ų | 95 | 93.3 Ų | 93.3 | 42% | 0.417 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.2 | -21.7 | 173.7 | -69 | -62.1 | 0 | 0 | 0 | 113.8 | L58 C61 E62 G65 E69 A71 | L58-F67 HydrophobicContact CD2-CZ 3.81Å; C61-F67 HydrophobicContact CB-CE2 4.3Å; E62-F67 HydrophobicContact CB-CD2 3.81Å; E62-F67 HydrophobicContact CB-CE2 4.12Å; E62-F67 HydrophobicContact CG-CD2 4.28Å; G65-F67 PolarHBondContact O-N 3.48Å; G65-F67 VanDerWaalsContact O-N 3.16Å; F67-E69 VanDerWaalsContact C-N 3.34Å; F67-A71 WeakPolarHBondContact O-CB 3.37Å; F67-A71 PolarHBondContact O-N 2.69Å |
| 68 | N | 61.2 | Low | 60 | Low | 139 Ų | 139 | 94.8 Ų | 94.8 | 74% | 0.743 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -70 | -35.4 | 173.9 | -171 | 83.7 | 0 | 0 | 0 | 111.1 | G65 L66 | G65-N68 VanDerWaalsContact O-CB 3.3Å; G65-N68 WeakPolarHBondContact O-CB 3.35Å; G65-N68 PolarHBondContact O-N 3.37Å; L66-N68 VanDerWaalsContact C-N 3.32Å |
| 69 | E | 56 | Low | 59.1 | Low | 147 Ų | 147 | 97 Ų | 97 | 69% | 0.687 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -74.4 | -39.9 | 174.5 | -165.8 | 168.5 | -167.8 | 0 | 0 | 111.6 | L66 F67 P73 | L66-E69 PolarHBondContact O-N 3.43Å; F67-E69 VanDerWaalsContact C-N 3.34Å; E69-P73 WeakPolarHBondContact O-CD 3.41Å |
| 70 | L | 50.6 | Low | 58.3 | Low | 125 Ų | 125 | 96 Ų | 96 | 65% | 0.654 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -82.1 | -14.4 | 179.8 | -68.6 | 174.7 | 0 | 0 | 0 | 115.7 | L66 P73 | L66-L70 WeakPolarHBondContact O-CG 3.27Å; L66-L70 PolarHBondContact O-N 3.07Å; L66-L70 VanDerWaalsContact O-N 3.07Å; L70-P73 VanDerWaalsContact C-CD 3.46Å; L70-P73 WeakPolarHBondContact O-CD 3.41Å |
| 71 | A | 53.7 | Low | 57.3 | Low | 57 Ų | 57 | 98.8 Ų | 98.8 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -82 | -30.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F67 | F67-A71 WeakPolarHBondContact O-CB 3.37Å; F67-A71 PolarHBondContact O-N 2.69Å |
| 72 | S | 57.7 | Low | 56.6 | Low | 73 Ų | 73 | 101 Ų | 101 | 51% | 0.51 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -7.2 | -176.5 | -160.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 73 | P | 53.2 | Low | 55.9 | Low | 74 Ų | 74 | 100.4 Ų | 100.4 | 48% | 0.481 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -11.1 | 173.1 | -16.5 | 32.6 | 0 | 0 | 0 | 115.7 | E69 L70 | E69-P73 WeakPolarHBondContact O-CD 3.41Å; L70-P73 VanDerWaalsContact C-CD 3.46Å; L70-P73 WeakPolarHBondContact O-CD 3.41Å |
| 74 | F | 46.5 | Very low | 55.3 | Low | 153 Ų | 153 | 97.9 Ų | 97.9 | 67% | 0.671 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.5 | -35.5 | -179 | -82.6 | -84.6 | 0 | 0 | 0 | 113.5 | H76 F78 | F74-H76 VanDerWaalsContact C-N 3.34Å; F74-H76 PolarHBondContact O-N 3.09Å; F74-F78 HydrophobicContact CD1-CE2 4.34Å |
| 75 | D | 50.3 | Low | 54.7 | Low | 86 Ų | 86 | 99.8 Ų | 99.8 | 46% | 0.46 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.1 | -33.8 | -177.6 | -125 | -87.4 | 0 | 0 | 0 | 112.8 | K79 | D75-K79 WeakPolarHBondContact O-CG 3.44Å; D75-K79 PolarHBondContact O-N 3.33Å; D75-K79 VanDerWaalsContact OD1-CE 3.22Å; D75-K79 WeakPolarHBondContact OD1-CE 3.43Å; D75-K79 IonicContact OD1-NZ 2.83Å; D75-K79 PolarHBondContact OD1-NZ 3.4Å |
| 76 | H | 55.4 | Low | 54.3 | Low | 91 Ų | 91 | 104.8 Ų | 104.8 | 42% | 0.421 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -71.5 | -47 | -176.7 | 177.1 | -101 | 0 | 0 | 0 | 112.5 | F74 K80 | F74-H76 VanDerWaalsContact C-N 3.34Å; F74-H76 PolarHBondContact O-N 3.09Å; H76-K80 PolarHBondContact NE2-NZ 3.21Å; H76-K80 WeakPolarHBondContact O-CB 3.39Å; H76-K80 PolarHBondContact O-N 3.42Å; H76-K80 VanDerWaalsContact O-N 3.15Å |
| 77 | D | 53.8 | Low | 53.7 | Low | 97 Ų | 97 | 109.5 Ų | 109.5 | 52% | 0.519 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -75.1 | -33.7 | -174.4 | -70.4 | -99.9 | 0 | 0 | 0 | 113.4 | S81 | D77-S81 WeakPolarHBondContact O-CB 3.36Å; D77-S81 PolarHBondContact O-N 3.26Å; D77-S81 PolarHBondContact O-OG 3.27Å |
| 78 | F | 50.7 | Low | 53.6 | Low | 160 Ų | 160 | 113.6 Ų | 113.6 | 70% | 0.702 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -71 | -38.4 | 176.5 | -90.5 | -86 | 0 | 0 | 0 | 113.3 | F74 | F74-F78 HydrophobicContact CD1-CE2 4.34Å |
| 79 | K | 55 | Low | 53 | Low | 130 Ų | 130 | 114.2 Ų | 114.2 | 57% | 0.565 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -72.5 | -45.6 | 178.3 | -74.9 | 171.8 | 174.9 | 167.2 | 0 | 111.8 | D75 S81 A82 E83 | D75-K79 WeakPolarHBondContact O-CG 3.44Å; D75-K79 PolarHBondContact O-N 3.33Å; D75-K79 VanDerWaalsContact OD1-CE 3.22Å; D75-K79 WeakPolarHBondContact OD1-CE 3.43Å; D75-K79 IonicContact OD1-NZ 2.83Å; D75-K79 PolarHBondContact OD1-NZ 3.4Å; K79-S81 VanDerWaalsContact C-N 3.26Å; K79-S81 PolarHBondContact O-N 2.89Å; K79-A82 PolarHBondContact O-N 2.87Å; K79-E83 PolarHBondContact O-N 3.26Å; K79-E83 VanDerWaalsContact O-N 3.14Å |
| 80 | K | 51.3 | Low | 52.6 | Low | 112 Ų | 112 | 112.5 Ų | 112.5 | 49% | 0.487 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.8 | -27.8 | -176.3 | -155.6 | 168.6 | -138.1 | 164.2 | 0 | 113.8 | H76 A82 E83 | H76-K80 PolarHBondContact NE2-NZ 3.21Å; H76-K80 WeakPolarHBondContact O-CB 3.39Å; H76-K80 PolarHBondContact O-N 3.42Å; H76-K80 VanDerWaalsContact O-N 3.15Å; K80-A82 VanDerWaalsContact C-N 3.34Å; K80-E83 WeakPolarHBondContact CA-OE1 3.24Å |
| 81 | S | 46.1 | Very low | 52.5 | Low | 97 Ų | 97 | 114.5 Ų | 114.5 | 68% | 0.678 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -74.5 | -22.2 | 174 | -57.4 | 0 | 0 | 0 | 0 | 113.6 | D77 K79 | D77-S81 WeakPolarHBondContact O-CB 3.36Å; D77-S81 PolarHBondContact O-N 3.26Å; D77-S81 PolarHBondContact O-OG 3.27Å; K79-S81 VanDerWaalsContact C-N 3.26Å; K79-S81 PolarHBondContact O-N 2.89Å |
| 82 | A | 56.3 | Low | 52.1 | Low | 57 Ų | 57 | 117.4 Ų | 117.4 | 47% | 0.471 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -95.1 | -34.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | K79 K80 D84 I86 | K79-A82 PolarHBondContact O-N 2.87Å; K80-A82 VanDerWaalsContact C-N 3.34Å; A82-D84 PolarHBondContact O-N 2.79Å; A82-I86 WeakPolarHBondContact O-CG1 3.43Å |
| 83 | E | 55.9 | Low | 51.5 | Low | 110 Ų | 110 | 122.2 Ų | 122.2 | 51% | 0.514 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -77 | -15.1 | -175.1 | 68.1 | -172.1 | 117 | 0 | 0 | 114.8 | K79 K80 | K79-E83 PolarHBondContact O-N 3.26Å; K79-E83 VanDerWaalsContact O-N 3.14Å; K80-E83 WeakPolarHBondContact CA-OE1 3.24Å |
| 84 | D | 56.4 | Low | 50.9 | Low | 100 Ų | 100 | 123.4 Ų | 123.4 | 54% | 0.535 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.2 | -23.2 | -179.9 | -114.8 | -83.7 | 0 | 0 | 0 | 114.8 | A82 K87 | A82-D84 PolarHBondContact O-N 2.79Å; D84-K87 WeakPolarHBondContact O-CE 3.21Å; D84-K87 WeakPolarHBondContact OD1-CE 3.49Å; D84-K87 IonicContact OD1-NZ 2.74Å; D84-K87 PolarHBondContact OD1-NZ 2.78Å; D84-K87 IonicContact OD2-NZ 2.62Å; D84-K87 PolarHBondContact OD2-NZ 3.43Å |
| 85 | D | 53.5 | Low | 51 | Low | 122 Ų | 122 | 122.4 Ų | 122.4 | 65% | 0.652 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -34.7 | -178.7 | -166 | 54.4 | 0 | 0 | 0 | 113 | K87 K88 | D85-K87 PolarHBondContact O-N 3.32Å; D85-K88 PolarHBondContact O-N 3.44Å |
| 86 | I | 58.3 | Low | 50.4 | Low | 140 Ų | 140 | 126.5 Ų | 126.5 | 72% | 0.718 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -14.7 | -172.4 | -19.9 | -179.5 | 0 | 0 | 0 | 113.9 | A82 | A82-I86 WeakPolarHBondContact O-CG1 3.43Š|
| 87 | K | 50.4 | Low | 49.4 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 58% | 0.583 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 18.2 | -172.7 | 65.7 | -156.5 | 177 | -161.5 | 0 | 115 | D84 D85 | D84-K87 WeakPolarHBondContact O-CE 3.21Å; D84-K87 WeakPolarHBondContact OD1-CE 3.49Å; D84-K87 IonicContact OD1-NZ 2.74Å; D84-K87 PolarHBondContact OD1-NZ 2.78Å; D84-K87 IonicContact OD2-NZ 2.62Å; D84-K87 PolarHBondContact OD2-NZ 3.43Å; D85-K87 PolarHBondContact O-N 3.32Å |
| 88 | K | 54.1 | Low | 48.7 | Very low | 182 Ų | 182 | 127.5 Ų | 127.5 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -134.7 | 5.2 | -176.6 | -102.4 | -168.1 | 176.1 | -174.8 | 0 | 119.2 | D85 | D85-K88 PolarHBondContact O-N 3.44Š|
| 89 | L | 47.1 | Very low | 48.2 | Very low | 152 Ų | 152 | 125.8 Ų | 125.8 | 80% | 0.796 | 70% | 0.697 | S | S | * | * | | | trans | -114.9 | 110.6 | 177 | -63.9 | 179.1 | 0 | 0 | 0 | 111.7 | | |
| 90 | P | 48.2 | Very low | 47.5 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 71% | 0.714 | 71% | 0.707 | S | S | * | * | | | trans | -91.3 | 131.1 | -178.8 | -3 | 22.2 | 0 | 0 | 0 | 113.5 | | |
| 91 | L | 48 | Very low | 47 | Very low | 167 Ų | 167 | 128.6 Ų | 128.6 | 87% | 0.874 | 72% | 0.721 | S | S | * | * | | | trans | 62.6 | 161.2 | 165.2 | -73.3 | 86.2 | 0 | 0 | 0 | 115.9 | | |
| 92 | D | 46.3 | Very low | 46.6 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 63% | 0.631 | 73% | 0.728 | S | S | * | * | | | cis | -162.9 | 119.2 | -26.5 | 160.3 | 32.9 | 0 | 0 | 0 | 106 | | |
| 93 | L | 43.8 | Very low | 45.7 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 91% | 0.911 | 74% | 0.741 | S | S | * | * | | | trans | -146.7 | 113.9 | 163.6 | -76.1 | -177.5 | 0 | 0 | 0 | 109.4 | | |
| 94 | S | 42.3 | Very low | 44.8 | Very low | 100 Ų | 100 | 139.5 Ų | 139.5 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | | | trans | -73.5 | 149.9 | -174.7 | -71.5 | 0 | 0 | 0 | 0 | 114 | | |
| 95 | P | 48.7 | Very low | 44.3 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | | | trans | -78.5 | 128.9 | 177.2 | 31.7 | -33.8 | 0 | 0 | 0 | 111.8 | | |
| 96 | L | 37.9 | Very low | 43.3 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 90% | 0.901 | 76% | 0.759 | S | S | * | * | | | trans | -145.7 | 148.3 | 173.4 | -168.4 | 59.9 | 0 | 0 | 0 | 112.4 | | |
| 97 | A | 34.4 | Very low | 42.2 | Very low | 87 Ų | 87 | 145.4 Ų | 145.4 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | | | trans | 68 | 73.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 98 | T | 38.7 | Very low | 41.8 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 131.6 | 147.9 | 48.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 99 | P | 39.3 | Very low | 40.5 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 130 | 150.2 | 31.6 | -29.5 | 0 | 0 | 0 | 109.7 | | |
| 100 | I | 41.6 | Very low | 40.1 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 122.4 | -175.7 | -62.2 | 166.5 | 0 | 0 | 0 | 110.2 | | |
| 101 | I | 39.4 | Very low | 39.6 | Very low | 152 Ų | 152 | 144.9 Ų | 144.9 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | trans | -108.2 | 127.5 | 161.9 | -63.8 | -178.6 | 0 | 0 | 0 | 108.6 | N103 | I101-N103 PolarHBondContact O-N 3.16Š|
| 102 | R | 38.6 | Very low | 38.9 | Very low | 222 Ų | 222 | 143.8 Ų | 143.8 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | -98.3 | 68.6 | -156.4 | -168.2 | -170.5 | -178.3 | 115.8 | -3.1 | 112.7 | K104 | R102-K104 PolarHBondContact O-N 2.91Š|
| 103 | N | 35.9 | Very low | 38.1 | Very low | 139 Ų | 139 | 142.4 Ų | 142.4 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | -75.3 | 88.1 | 172.6 | -74.5 | 25.8 | 0 | 0 | 0 | 110.5 | I101 I105 | I101-N103 PolarHBondContact O-N 3.16Å; N103-I105 PolarHBondContact O-N 3.46Å |
| 104 | K | 37 | Very low | 38 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 58% | 0.578 | 78% | 0.781 | S | S | * | * | | | trans | -73.8 | 107.8 | 172.8 | 179.4 | 178.3 | -178.5 | -72.1 | 0 | 109.7 | R102 E106 | R102-K104 PolarHBondContact O-N 2.91Å; K104-E106 IonicContact NZ-OE1 2.68Å; K104-E106 PolarHBondContact NZ-OE1 3.42Å; K104-E106 IonicContact NZ-OE2 2.83Å; K104-E106 PolarHBondContact NZ-OE2 2.88Å |
| 105 | I | 46.1 | Very low | 37.5 | Very low | 146 Ų | 146 | 147.4 Ų | 147.4 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | | | trans | -62.4 | 132.3 | 160.3 | -82.9 | 62.7 | 0 | 0 | 0 | 108 | N103 | N103-I105 PolarHBondContact O-N 3.46Š|
| 106 | E | 34.3 | Very low | 36.6 | Very low | 159 Ų | 159 | 147.2 Ų | 147.2 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | trans | -157.4 | 103.9 | 155.8 | -167.7 | 159.5 | 76.1 | 0 | 0 | 111.6 | K104 | K104-E106 IonicContact NZ-OE1 2.68Å; K104-E106 PolarHBondContact NZ-OE1 3.42Å; K104-E106 IonicContact NZ-OE2 2.83Å; K104-E106 PolarHBondContact NZ-OE2 2.88Å |
| 107 | E | 34.4 | Very low | 36.4 | Very low | 180 Ų | 180 | 144.4 Ų | 144.4 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | | | trans | -138.8 | 137.2 | 159.8 | -173.9 | -171.6 | 142.4 | 0 | 0 | 102.4 | | |
| 108 | P | 41.4 | Very low | 37.1 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | | | cis | -141.8 | 151.6 | 36 | 38.2 | -19 | 0 | 0 | 0 | 117.6 | | |
| 109 | T | 28.1 | Very low | 37.3 | Very low | 146 Ų | 146 | 147.9 Ų | 147.9 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | | | trans | -147.3 | 143.2 | 152.3 | 43.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 110 | V | 37.6 | Very low | 37.6 | Very low | 145 Ų | 145 | 148.1 Ų | 148.1 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | | | trans | -90.9 | 130.2 | -177.9 | -164.5 | 0 | 0 | 0 | 0 | 111 | | |
| 111 | I | 37.5 | Very low | 37.6 | Very low | 165 Ų | 165 | 148.3 Ų | 148.3 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | trans | -150.3 | 148.2 | 150.6 | 45.1 | 170.7 | 0 | 0 | 0 | 110.8 | | |
| 112 | D | 33.2 | Very low | 38.2 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | -96.8 | 135.8 | 170.9 | 178.5 | -84.1 | 0 | 0 | 0 | 110 | | |
| 113 | A | 31 | Very low | 38 | Very low | 90 Ų | 90 | 144.4 Ų | 144.4 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | | | trans | -166.2 | 130.6 | 162 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 114 | H | 40.5 | Very low | 37.9 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 78% | 0.778 | 77% | 0.774 | S | S | * | * | | | trans | -69.1 | 151.5 | 169.2 | -61.6 | -119.2 | 0 | 0 | 0 | 112.3 | | |
| 115 | R | 32.7 | Very low | 37.9 | Very low | 211 Ų | 211 | 142 Ų | 142 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | | | | 166.6 | 150 | 102.3 | -79.9 | -147.7 | 79.8 | 128.3 | 6.1 | 114.4 | | |
| 116 | D | 28.3 | Very low | 37.8 | Very low | 126 Ų | 126 | 141 Ų | 141 | 67% | 0.674 | 78% | 0.783 | S | S | * | * | | | trans | 57.7 | 142.7 | 148.8 | -73.4 | -126.7 | 0 | 0 | 0 | 124.9 | | |
| 117 | S | 34.4 | Very low | 37.6 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | | | trans | -70.8 | 178 | 166.7 | -94.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 118 | P | 48.7 | Very low | 38.1 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | | | cis | -143.4 | 178.3 | 26.4 | 42.7 | -22.7 | 0 | 0 | 0 | 118.9 | | |
| 119 | L | 42.7 | Very low | 38.1 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | | | trans | -71.8 | 150.4 | 162.9 | -63.1 | 166.5 | 0 | 0 | 0 | 112 | | |
| 120 | P | 46.8 | Very low | 38.8 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -101.9 | 136 | 159.1 | 34.7 | -28 | 0 | 0 | 0 | 112.6 | | |
| 121 | H | 40.3 | Very low | 38.4 | Very low | 154 Ų | 154 | 140 Ų | 140 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | | | trans | -114.3 | 155 | 168.9 | -180 | -101.1 | 0 | 0 | 0 | 109.4 | | |
| 122 | P | 52.9 | Low | 38.3 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | | | trans | -130.1 | 142.8 | 155.2 | 34.3 | -20.7 | 0 | 0 | 0 | 114.1 | | |
| 123 | E | 34.8 | Very low | 38.2 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | trans | -99.4 | 165.4 | -176.8 | -64.2 | 170.2 | 94.6 | 0 | 0 | 114.1 | | |
| 124 | S | 33.8 | Very low | 38.2 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | trans | -163.1 | 108.6 | 154.1 | -167.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 125 | T | 37.7 | Very low | 37.7 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | | 54.6 | 138.7 | 81.9 | 77.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 126 | T | 43.2 | Very low | 38.8 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | cis | -108.3 | -143.8 | 5.2 | 56.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 127 | S | 29.7 | Very low | 38.7 | Very low | 119 Ų | 119 | 135 Ų | 135 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | cis | -158.7 | -179.1 | 7.9 | -126.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 128 | D | 44.2 | Very low | 38.4 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | | | trans | -145.2 | 125.5 | -166.3 | -164.4 | -56.9 | 0 | 0 | 0 | 115.2 | | |
| 129 | D | 42.4 | Very low | 37.5 | Very low | 152 Ų | 152 | 137 Ų | 137 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | -171.4 | 143.3 | 147.3 | 65.5 | 105.4 | 0 | 0 | 0 | 109 | | |
| 130 | K | 41.8 | Very low | 38.2 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | | | cis | 90.4 | 112.7 | 25.6 | -164.4 | 174.6 | -177.9 | -179.9 | 0 | 113.2 | | |
| 131 | D | 30.8 | Very low | 37.3 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | | | | -160.8 | -153.3 | 64 | -157.8 | -101.3 | 0 | 0 | 0 | 113.9 | | |
| 132 | L | 35.5 | Very low | 36.8 | Very low | 149 Ų | 149 | 131.8 Ų | 131.8 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | | | trans | -94.8 | 156.5 | -167.7 | -70 | 74.3 | 0 | 0 | 0 | 115.2 | | |
| 133 | S | 29.7 | Very low | 35.8 | Very low | 121 Ų | 121 | 132 Ų | 132 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | | | | 179.8 | 162.6 | 115.3 | -159.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 134 | L | 31.9 | Very low | 36.1 | Very low | 153 Ų | 153 | 131 Ų | 131 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | | | trans | -81.5 | 139.6 | -163.3 | -61 | 160.2 | 0 | 0 | 0 | 117.5 | | |
| 135 | Q | 30.1 | Very low | 35.9 | Very low | 182 Ų | 182 | 132.1 Ų | 132.1 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | | | trans | 65.1 | 164.9 | 132.6 | -74.7 | -87.1 | -51.2 | 0 | 0 | 121.1 | | |
| 136 | P | 54.8 | Low | 36.2 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | | | trans | -126.1 | -172.9 | -146.5 | 46.5 | -36.5 | 0 | 0 | 0 | 115.9 | | |
| 137 | A | 27.4 | Very low | 36.3 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | | 176.9 | 154.6 | 125.5 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 138 | S | 27.2 | Very low | 36.2 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | trans | 59.7 | 107.4 | 139.2 | 64 | 0 | 0 | 0 | 0 | 125.3 | | |
| 139 | L | 30 | Very low | 35.9 | Very low | 173 Ų | 173 | 132.1 Ų | 132.1 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | | | | 58.1 | 160 | 119.1 | -82.6 | 107.4 | 0 | 0 | 0 | 124 | | |
| 140 | P | 58.3 | Low | 35.5 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | | | trans | -122 | 178.4 | -161.4 | 44.1 | -31 | 0 | 0 | 0 | 116.5 | | |
| 141 | T | 26 | Very low | 35.4 | Very low | 137 Ų | 137 | 134 Ų | 134 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | -168.1 | 145.5 | 169.2 | -80.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 142 | S | 30.6 | Very low | 35.6 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | | | cis | -170.8 | -175.3 | -19.6 | -87.5 | 0 | 0 | 0 | 0 | 109 | | |
| 143 | T | 31.6 | Very low | 35.7 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | | | trans | 87.2 | 90.5 | 148.1 | -46.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 144 | I | 41.9 | Very low | 35.9 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | | 34.4 | 117.4 | 115.5 | -53.5 | 159.6 | 0 | 0 | 0 | 118.4 | | |
| 145 | V | 30.1 | Very low | 36 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | | | | -149.2 | 133.9 | 127.5 | -172.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 146 | H | 42.5 | Very low | 36.2 | Very low | 183 Ų | 183 | 129.3 Ų | 129.3 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | | | trans | -123.5 | 149.6 | 152.9 | -83.5 | -109.7 | 0 | 0 | 0 | 106.9 | | |
| 147 | P | 44.9 | Very low | 35.2 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | | | | -155.5 | -179.9 | 112.2 | 40.4 | -23.2 | 0 | 0 | 0 | 116.6 | | |
| 148 | A | 28.2 | Very low | 35.5 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | | | trans | 84.3 | 132.9 | 149.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 149 | S | 38.9 | Very low | 35.7 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | -100.1 | 156.1 | -177.5 | -42.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 150 | L | 32.5 | Very low | 36 | Very low | 178 Ų | 178 | 131.1 Ų | 131.1 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | | | trans | -126.1 | 147.2 | 151.4 | -88.8 | 172.9 | 0 | 0 | 0 | 110.2 | | |
| 151 | Q | 41.3 | Very low | 35 | Very low | 189 Ų | 189 | 133.8 Ų | 133.8 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | trans | -96.2 | 149.7 | -172.8 | -61.7 | 170 | 2.1 | 0 | 0 | 110.4 | | |
| 152 | V | 35.2 | Very low | 35.4 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | -119.1 | 132.9 | 173.2 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 153 | P | 37.1 | Very low | 35.4 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | trans | -64.6 | 133.7 | -179.1 | -22.5 | 34 | 0 | 0 | 0 | 112.8 | | |
| 154 | N | 33.7 | Very low | 35.6 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | trans | -93.2 | 99.4 | 179.9 | -168.8 | 11.9 | 0 | 0 | 0 | 110.7 | L156 | N154-L156 PolarHBondContact O-N 3.49Š|
| 155 | V | 33.6 | Very low | 35.2 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | -88.1 | 87.3 | 175.1 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 156 | L | 35.4 | Very low | 35.3 | Very low | 121 Ų | 121 | 134 Ų | 134 | 63% | 0.634 | 79% | 0.793 | S | S | * | * | | | trans | -97.2 | 107.9 | -174.9 | -163.4 | 163.8 | 0 | 0 | 0 | 109.9 | N154 A158 | N154-L156 PolarHBondContact O-N 3.49Å; L156-A158 PolarHBondContact O-N 3.29Å |
| 157 | L | 32.5 | Very low | 34.8 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -72.4 | 119.4 | 169.1 | -99.1 | 73.3 | 0 | 0 | 0 | 109.5 | T159 | L157-T159 PolarHBondContact O-N 3.09Š|
| 158 | A | 33.2 | Very low | 34.5 | Very low | 95 Ų | 95 | 133 Ų | 133 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -79.8 | 120.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L156 | L156-A158 PolarHBondContact O-N 3.29Š|
| 159 | T | 33 | Very low | 34.6 | Very low | 127 Ų | 127 | 132 Ų | 132 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | trans | -145.9 | 138.7 | 156.5 | 43.7 | 0 | 0 | 0 | 0 | 105.7 | L157 | L157-T159 PolarHBondContact O-N 3.09Š|
| 160 | T | 36.2 | Very low | 34.7 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | | | cis | -145 | -174.6 | -2 | 19.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 161 | E | 36.7 | Very low | 34.8 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | trans | -70.5 | 149.8 | -171.8 | 56.8 | -97 | 64.6 | 0 | 0 | 117.7 | | |
| 162 | A | 34.1 | Very low | 34.6 | Very low | 89 Ų | 89 | 126.7 Ų | 126.7 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | | | trans | 37.3 | 109.8 | 143.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 163 | S | 31.3 | Very low | 34.8 | Very low | 128 Ų | 128 | 126.6 Ų | 126.6 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | | | | -157.5 | 157.5 | 125.1 | -84.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 164 | V | 35.4 | Very low | 35.1 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | | | trans | -130.7 | 136.4 | -160.9 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 165 | V | 33.5 | Very low | 35.1 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | | | trans | 68.4 | 134.4 | 170 | 163.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 166 | I | 32.7 | Very low | 35.8 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | cis | -132.1 | 155.1 | 31.1 | -56.8 | 164.7 | 0 | 0 | 0 | 111.2 | | |
| 167 | Q | 32 | Very low | 35.7 | Very low | 167 Ų | 167 | 124.6 Ų | 124.6 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | trans | -102.8 | 141.2 | 164.2 | -161.2 | -139.3 | 108.4 | 0 | 0 | 110.2 | | |
| 168 | P | 38.7 | Very low | 36.3 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | | -146.6 | 148.6 | 111.3 | 37.3 | -22.8 | 0 | 0 | 0 | 116.2 | | |
| 169 | A | 29.5 | Very low | 36.8 | Very low | 81 Ų | 81 | 125.3 Ų | 125.3 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | | | trans | 46.6 | 121.7 | 143.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 170 | L | 40.4 | Very low | 37.2 | Very low | 152 Ų | 152 | 125.1 Ų | 125.1 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | | | trans | -69 | 151 | 161.3 | -152.1 | 80.5 | 0 | 0 | 0 | 111.4 | | |
| 171 | P | 36.3 | Very low | 37.1 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | | -128 | 155 | 123.3 | 36.6 | -31.7 | 0 | 0 | 0 | 113.4 | | |
| 172 | S | 36.8 | Very low | 37.2 | Very low | 97 Ų | 97 | 125.8 Ų | 125.8 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | | | trans | -71.3 | 141.3 | -170.2 | -48.4 | 0 | 0 | 0 | 0 | 114.3 | T174 | S172-T174 PolarHBondContact O-N 3.13Š|
| 173 | P | 39.3 | Very low | 37.5 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | trans | -82.2 | 101.3 | 169.7 | 32.3 | -32.4 | 0 | 0 | 0 | 111.5 | | |
| 174 | T | 42.8 | Very low | 37.9 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | | | trans | -83.3 | 155.5 | 149.6 | 31.3 | 0 | 0 | 0 | 0 | 110 | S172 | S172-T174 PolarHBondContact O-N 3.13Š|
| 175 | S | 34 | Very low | 38.5 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 94.5 | 135.3 | 176.5 | -42.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 176 | S | 48.2 | Very low | 39.1 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | | | trans | -78.6 | 144.8 | -179.6 | -179.3 | 0 | 0 | 0 | 0 | 112 | | |
| 177 | S | 33.1 | Very low | 39.6 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | -153.5 | 107.6 | 154.7 | -81.4 | 0 | 0 | 0 | 0 | 109.7 | I179 | S177-I179 PolarHBondContact O-N 2.75Š|
| 178 | V | 44.1 | Very low | 39.9 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | | | trans | -81.7 | 100.3 | 172.2 | 178.7 | 0 | 0 | 0 | 0 | 108 | | |
| 179 | I | 43.8 | Very low | 40.1 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 72% | 0.723 | 78% | 0.778 | S | S | * | * | | | trans | -115.8 | 109.6 | 167.2 | -60 | 178.1 | 0 | 0 | 0 | 107.5 | S177 Q181 | S177-I179 PolarHBondContact O-N 2.75Å; I179-Q181 PolarHBondContact O-N 3.3Å |
| 180 | T | 42.2 | Very low | 40.6 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | -70.1 | 93.5 | 176.7 | -51.6 | 0 | 0 | 0 | 0 | 109.6 | V182 | T180-V182 PolarHBondContact O-N 2.9Š|
| 181 | Q | 34 | Very low | 40.8 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 120.1 | 168.8 | -71.1 | -168.6 | 1 | 0 | 0 | 109.5 | I179 | I179-Q181 PolarHBondContact O-N 3.3Š|
| 182 | V | 39.5 | Very low | 41.2 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 124.7 | 168.7 | -171 | 0 | 0 | 0 | 0 | 107.5 | T180 S184 | T180-V182 PolarHBondContact O-N 2.9Å; V182-S184 PolarHBondContact O-N 2.75Å |
| 183 | P | 39 | Very low | 41.7 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 122.4 | -177.7 | 26.2 | -33.6 | 0 | 0 | 0 | 110.6 | T185 | P183-T185 PolarHBondContact O-N 2.94Š|
| 184 | S | 40.9 | Very low | 42.4 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 124.8 | -176.8 | -170.7 | 0 | 0 | 0 | 0 | 111.9 | V182 N186 | V182-S184 PolarHBondContact O-N 2.75Å; S184-N186 VanDerWaalsContact C-N 3.29Å; S184-N186 PolarHBondContact O-N 3.28Å |
| 185 | T | 48.1 | Very low | 42.8 | Very low | 136 Ų | 136 | 125.4 Ų | 125.4 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -78.5 | 73.7 | -178.8 | -48.9 | 0 | 0 | 0 | 0 | 111.5 | P183 | P183-T185 PolarHBondContact O-N 2.94Š|
| 186 | N | 44.7 | Very low | 43.9 | Very low | 151 Ų | 151 | 126.7 Ų | 126.7 | 81% | 0.807 | 73% | 0.729 | S | S | * | * | | | trans | -155.4 | 106.5 | 155.8 | -123.4 | -92.3 | 0 | 0 | 0 | 111.8 | S184 | S184-N186 VanDerWaalsContact C-N 3.29Å; S184-N186 PolarHBondContact O-N 3.28Å |
| 187 | R | 45 | Very low | 44.5 | Very low | 227 Ų | 227 | 126.6 Ų | 126.6 | 86% | 0.857 | 73% | 0.726 | S | S | * | * | | | trans | -138.8 | 132.1 | 159.6 | -70.7 | -174.1 | 179.7 | -112.5 | -0 | 107 | | |
| 188 | P | 38.2 | Very low | 46.5 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | | | trans | -64.7 | 136.6 | 178.5 | 26.7 | -33.8 | 0 | 0 | 0 | 110.3 | V190 | P188-V190 PolarHBondContact O-N 3.15Š|
| 189 | I | 41.2 | Very low | 47.9 | Very low | 164 Ų | 164 | 124.1 Ų | 124.1 | 84% | 0.841 | 70% | 0.701 | S | S | * | * | | | trans | -82.6 | 105.9 | -179.2 | -59 | 174.1 | 0 | 0 | 0 | 108.5 | | |
| 190 | V | 41.2 | Very low | 49.5 | Very low | 108 Ų | 108 | 122.3 Ų | 122.3 | 66% | 0.655 | 69% | 0.692 | S | S | * | * | | | trans | -83.8 | 132.5 | 162.5 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | P188 V192 | P188-V190 PolarHBondContact O-N 3.15Å; V190-V192 PolarHBondContact O-N 2.98Å |
| 191 | P | 43.3 | Very low | 51 | Low | 109 Ų | 109 | 121.9 Ų | 121.9 | 71% | 0.708 | 68% | 0.682 | S | S | * | * | | | trans | -68.1 | 99.9 | 175.4 | 27.5 | -33.7 | 0 | 0 | 0 | 110.1 | T193 | P191-T193 PolarHBondContact O-N 3.07Å; P191-T193 VanDerWaalsContact O-N 3.12Å |
| 192 | V | 45.7 | Very low | 53.4 | Low | 120 Ų | 120 | 116.6 Ų | 116.6 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | | | trans | -77.3 | 96.2 | 173.4 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | V190 G194 | V190-V192 PolarHBondContact O-N 2.98Å; V192-G194 PolarHBondContact O-N 3.31Å |
| 193 | T | 48.3 | Very low | 54.5 | Low | 140 Ų | 140 | 117.3 Ų | 117.3 | 86% | 0.859 | 67% | 0.666 | S | S | * | * | | | trans | -69.8 | 73.6 | 167.3 | -50.7 | 0 | 0 | 0 | 0 | 109.4 | P191 | P191-T193 PolarHBondContact O-N 3.07Å; P191-T193 VanDerWaalsContact O-N 3.12Å |
| 194 | G | 52 | Low | 56.2 | Low | 22 Ų | 22 | 117.1 Ų | 117.1 | 23% | 0.227 | 66% | 0.659 | C | S | . | * | | | trans | -121.5 | 124.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V192 F196 | V192-G194 PolarHBondContact O-N 3.31Å; G194-F196 WeakPolarHBondContact O-CD2 3.39Å; G194-F196 PolarHBondContact O-N 3.45Å |
| 195 | T | 51.3 | Low | 57.9 | Low | 84 Ų | 84 | 114.5 Ų | 114.5 | 52% | 0.515 | 65% | 0.65 | S | S | . | * | | | trans | -65.8 | 113 | 170.2 | -57.7 | 0 | 0 | 0 | 0 | 109.7 | P197 A211 | T195-P197 WeakPolarHBondContact O-CD 3.44Å; T195-A211 HydrophobicContact CG2-CB 3.8Å |
| 196 | F | 58 | Low | 59.1 | Low | 151 Ų | 151 | 113.2 Ų | 113.2 | 66% | 0.662 | 63% | 0.634 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75 | 120.7 | 176.1 | -68.8 | -84.5 | 0 | 0 | 0 | 110.2 | G194 V198 | G194-F196 WeakPolarHBondContact O-CD2 3.39Å; G194-F196 PolarHBondContact O-N 3.45Å; F196-V198 PolarHBondContact O-N 3.45Å |
| 197 | P | 60.7 | Low | 60.2 | Low | 100 Ų | 100 | 109.5 Ų | 109.5 | 65% | 0.649 | 62% | 0.617 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.8 | 110 | 175.9 | 30.8 | -32 | 0 | 0 | 0 | 109.9 | T195 | T195-P197 WeakPolarHBondContact O-CD 3.44Å |
| 198 | V | 74.6 | Confident | 61.3 | Low | 69 Ų | 69 | 103.1 Ų | 103.1 | 42% | 0.418 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.1 | 118.7 | 175.7 | -179.8 | 0 | 0 | 0 | 0 | 108.7 | F196 L200 V210 I212 | F196-V198 PolarHBondContact O-N 3.45Å; V198-L200 PolarHBondContact O-N 3.36Å; V198-V210 PolarHBondContact N-O 2.98Å; V198-V210 PolarHBondContact O-N 3.18Å; V198-I212 HydrophobicContact CB-CD1 4.4Å; V198-I212 HydrophobicContact CG2-CD1 3.87Å; V198-I212 HydrophobicContact CG2-CG1 4.44Å |
| 199 | L | 74.7 | Confident | 62.7 | Low | 116 Ų | 116 | 101.8 Ų | 101.8 | 61% | 0.607 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.2 | 106.5 | 173.8 | -63.5 | -178.3 | 0 | 0 | 0 | 109.7 | P209 | L199-P209 HydrophobicContact CD2-CB 3.93Å |
| 200 | L | 76.2 | Confident | 64 | Low | 102 Ų | 102 | 96.9 Ų | 96.9 | 53% | 0.534 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.4 | 121.5 | 174.2 | -170.7 | 64.8 | 0 | 0 | 0 | 109.5 | V198 L202 T207 M208 V210 | V198-L200 PolarHBondContact O-N 3.36Å; L200-L202 WeakPolarHBondContact O-CD1 3.42Å; L200-T207 WeakPolarHBondContact O-CA 3.5Å; L200-M208 PolarHBondContact N-O 3.05Å; L200-M208 PolarHBondContact O-N 3.31Å; L200-V210 HydrophobicContact CB-CG2 3.95Å; L200-V210 HydrophobicContact CD2-CG2 4.39Å |
| 201 | Q | 74 | Confident | 64.7 | Low | 115 Ų | 115 | 95.2 Ų | 95.2 | 54% | 0.537 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.7 | 110.9 | 178.2 | -176.5 | 68 | 80.4 | 0 | 0 | 109.9 | G205 Q206 | Q201-G205 PolarHBondContact NE2-O 3.47Å; Q201-Q206 VanDerWaalsContact NE2-C 3.34Å; Q201-Q206 PolarHBondContact NE2-O 3.25Å |
| 202 | L | 85.8 | Confident | 65.4 | Low | 61 Ų | 61 | 94.6 Ų | 94.6 | 32% | 0.319 | 55% | 0.554 | S | S | . | * | | | trans | -78 | 155.6 | 177.2 | -78.9 | 76.1 | 0 | 0 | 0 | 111.4 | L200 N204 G205 Q206 M208 | L200-L202 WeakPolarHBondContact O-CD1 3.42Å; L202-N204 WeakPolarHBondContact CB-OD1 3.1Å; L202-N204 PolarHBondContact O-N 3.05Å; L202-G205 PolarHBondContact O-N 2.83Å; L202-Q206 WeakPolarHBondContact CB-O 3.44Å; L202-Q206 PolarHBondContact N-O 2.87Å; L202-M208 HydrophobicContact CD1-CB 3.78Å; L202-M208 HydrophobicContact CD1-CG 3.59Å |
| 203 | P | 61.1 | Low | 65.4 | Low | 145 Ų | 145 | 93.5 Ų | 93.5 | 94% | 0.942 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -15.1 | 179.9 | -24.4 | 34.9 | 0 | 0 | 0 | 115.4 | G205 | P203-G205 VanDerWaalsContact C-N 3.27Š|
| 204 | N | 74.9 | Confident | 65.6 | Low | 107 Ų | 107 | 89.6 Ų | 89.6 | 57% | 0.572 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 2.7 | 174.5 | 68.9 | -12.2 | 0 | 0 | 0 | 113.6 | L202 Q206 | L202-N204 WeakPolarHBondContact CB-OD1 3.1Å; L202-N204 PolarHBondContact O-N 3.05Å; N204-Q206 VanDerWaalsContact C-N 3.34Å; N204-Q206 PolarHBondContact ND2-OE1 3.36Å; N204-Q206 VanDerWaalsContact OD1-CB 3.22Å; N204-Q206 WeakPolarHBondContact OD1-CB 3.42Å; N204-Q206 PolarHBondContact OD1-N 2.94Å |
| 205 | G | 77.8 | Confident | 65.4 | Low | 58 Ų | 58 | 93.7 Ų | 93.7 | 60% | 0.598 | 56% | 0.556 | S | S | * | * | S | Bend | trans | 84.6 | -0.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q201 L202 P203 | Q201-G205 PolarHBondContact NE2-O 3.47Å; L202-G205 PolarHBondContact O-N 2.83Å; P203-G205 VanDerWaalsContact C-N 3.27Å |
| 206 | Q | 72.1 | Confident | 65.1 | Low | 110 Ų | 110 | 96.1 Ų | 96.1 | 51% | 0.514 | 57% | 0.565 | S | S | . | * | | | trans | -87.4 | 134.2 | 178.7 | -163.2 | 171.9 | 20.7 | 0 | 0 | 111.6 | Q201 L202 N204 | Q201-Q206 VanDerWaalsContact NE2-C 3.34Å; Q201-Q206 PolarHBondContact NE2-O 3.25Å; L202-Q206 WeakPolarHBondContact CB-O 3.44Å; L202-Q206 PolarHBondContact N-O 2.87Å; N204-Q206 VanDerWaalsContact C-N 3.34Å; N204-Q206 PolarHBondContact ND2-OE1 3.36Å; N204-Q206 VanDerWaalsContact OD1-CB 3.22Å; N204-Q206 WeakPolarHBondContact OD1-CB 3.42Å; N204-Q206 PolarHBondContact OD1-N 2.94Å |
| 207 | T | 68.9 | Low | 64.4 | Low | 72 Ų | 72 | 96.3 Ų | 96.3 | 44% | 0.442 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.6 | 127.2 | 171 | 49.7 | 0 | 0 | 0 | 0 | 110.7 | L200 | L200-T207 WeakPolarHBondContact O-CA 3.5Å |
| 208 | M | 67.3 | Low | 63.3 | Low | 94 Ų | 94 | 95.9 Ų | 95.9 | 46% | 0.463 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.4 | 173.6 | -75.1 | -67 | -69 | 0 | 0 | 110.5 | L200 L202 V210 | L200-M208 PolarHBondContact N-O 3.05Å; L200-M208 PolarHBondContact O-N 3.31Å; L202-M208 HydrophobicContact CD1-CB 3.78Å; L202-M208 HydrophobicContact CD1-CG 3.59Å; M208-V210 PolarHBondContact O-N 2.93Å |
| 209 | P | 66.9 | Low | 61.9 | Low | 90 Ų | 90 | 98.7 Ų | 98.7 | 58% | 0.584 | 60% | 0.601 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.6 | 117.5 | 173.5 | 29.5 | -32.3 | 0 | 0 | 0 | 110.5 | L199 | L199-P209 HydrophobicContact CD2-CB 3.93Å |
| 210 | V | 69.1 | Low | 60.5 | Low | 61 Ų | 61 | 98.4 Ų | 98.4 | 37% | 0.37 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.5 | 118.3 | 172.4 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | V198 L200 M208 I212 | V198-V210 PolarHBondContact N-O 2.98Å; V198-V210 PolarHBondContact O-N 3.18Å; L200-V210 HydrophobicContact CB-CG2 3.95Å; L200-V210 HydrophobicContact CD2-CG2 4.39Å; M208-V210 PolarHBondContact O-N 2.93Å; V210-I212 HydrophobicContact CG1-CG1 4.19Å |
| 211 | A | 56.7 | Low | 58.7 | Low | 73 Ų | 73 | 99.5 Ų | 99.5 | 60% | 0.603 | 62% | 0.619 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.1 | 108.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | T195 P213 | T195-A211 HydrophobicContact CG2-CB 3.8Å; A211-P213 WeakPolarHBondContact O-CD 2.94Å |
| 212 | I | 56.9 | Low | 57.2 | Low | 97 Ų | 97 | 102.1 Ų | 102.1 | 50% | 0.497 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.4 | 116.1 | 178.4 | -55.7 | -179.1 | 0 | 0 | 0 | 109 | V198 V210 A214 | V198-I212 HydrophobicContact CB-CD1 4.4Å; V198-I212 HydrophobicContact CG2-CD1 3.87Å; V198-I212 HydrophobicContact CG2-CG1 4.44Å; V210-I212 HydrophobicContact CG1-CG1 4.19Å; I212-A214 PolarHBondContact O-N 2.96Å |
| 213 | P | 46.7 | Very low | 55.2 | Low | 97 Ų | 97 | 105.3 Ų | 105.3 | 63% | 0.63 | 65% | 0.647 | S | S | * | * | | | trans | -62.5 | 127.4 | 179.1 | -22.6 | 34.3 | 0 | 0 | 0 | 112 | A211 S215 | A211-P213 WeakPolarHBondContact O-CD 2.94Å; P213-S215 PolarHBondContact O-N 3.44Å |
| 214 | A | 52 | Low | 54 | Low | 58 Ų | 58 | 102.8 Ų | 102.8 | 48% | 0.479 | 63% | 0.631 | S | S | . | * | | | trans | -79.8 | 62.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I212 | I212-A214 PolarHBondContact O-N 2.96Š|
| 215 | S | 47.7 | Very low | 52.3 | Low | 107 Ų | 107 | 103.3 Ų | 103.3 | 75% | 0.748 | 64% | 0.638 | S | S | * | * | | | trans | -105.5 | 64.6 | -179.4 | -62.1 | 0 | 0 | 0 | 0 | 112.1 | P213 | P213-S215 PolarHBondContact O-N 3.44Š|
| 216 | I | 44.2 | Very low | 50.4 | Low | 136 Ų | 136 | 106.5 Ų | 106.5 | 70% | 0.697 | 65% | 0.646 | S | S | * | * | | | trans | -127.8 | 90.6 | 174.7 | 50.3 | 164.2 | 0 | 0 | 0 | 113 | S218 | I216-S218 PolarHBondContact O-N 3.31Š|
| 217 | T | 43.3 | Very low | 49 | Very low | 155 Ų | 155 | 108.1 Ų | 108.1 | 95% | 0.951 | 66% | 0.657 | S | S | * | * | | | trans | -75.9 | 58.7 | 158.4 | -50.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 218 | S | 37.5 | Very low | 47.5 | Very low | 91 Ų | 91 | 109.4 Ų | 109.4 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | | | trans | -149.6 | 115.7 | 176.9 | -72.5 | 0 | 0 | 0 | 0 | 109 | I216 | I216-S218 PolarHBondContact O-N 3.31Š|
| 219 | S | 45.8 | Very low | 46.4 | Very low | 127 Ų | 127 | 111.9 Ų | 111.9 | 89% | 0.888 | 68% | 0.68 | S | S | * | * | | | trans | -73.8 | 161 | 167.2 | -166.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 220 | S | 45.1 | Very low | 45.2 | Very low | 110 Ų | 110 | 113.2 Ų | 113.2 | 77% | 0.769 | 69% | 0.687 | S | S | * | * | | | trans | 72.5 | 73.2 | 178.1 | -168.2 | 0 | 0 | 0 | 0 | 117.5 | | |
| 221 | V | 38 | Very low | 43.8 | Very low | 126 Ų | 126 | 120.1 Ų | 120.1 | 76% | 0.764 | 71% | 0.706 | S | S | * | * | | | trans | -130 | 107.9 | 142 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | I223 | V221-I223 HydrophobicContact CG1-CG1 4.48Å; V221-I223 PolarHBondContact O-N 2.78Å |
| 222 | H | 44.3 | Very low | 42.8 | Very low | 170 Ų | 170 | 122.2 Ų | 122.2 | 79% | 0.787 | 71% | 0.714 | S | S | * | * | | | trans | -84.2 | 99.4 | 176.4 | 175.8 | -84.1 | 0 | 0 | 0 | 110.3 | P224 | H222-P224 WeakPolarHBondContact O-CD 3.25Š|
| 223 | I | 41.9 | Very low | 42.1 | Very low | 128 Ų | 128 | 123.5 Ų | 123.5 | 66% | 0.656 | 73% | 0.726 | S | S | * | * | | | trans | -74.1 | 121.2 | 174.5 | -55.1 | 174.9 | 0 | 0 | 0 | 108.8 | V221 T225 | V221-I223 HydrophobicContact CG1-CG1 4.48Å; V221-I223 PolarHBondContact O-N 2.78Å; I223-T225 PolarHBondContact O-N 2.9Å |
| 224 | P | 36.4 | Very low | 41.6 | Very low | 92 Ų | 92 | 124.4 Ų | 124.4 | 60% | 0.597 | 73% | 0.73 | S | S | * | * | | | trans | -74.7 | 98.2 | 175.8 | 30.2 | -33.1 | 0 | 0 | 0 | 110.2 | H222 T226 | H222-P224 WeakPolarHBondContact O-CD 3.25Å; P224-T226 VanDerWaalsContact C-N 3.26Å; P224-T226 PolarHBondContact O-N 3.46Å |
| 225 | T | 39.8 | Very low | 41.3 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | | | trans | -69.8 | 80.7 | 173.9 | -53.5 | 0 | 0 | 0 | 0 | 110.7 | I223 I227 | I223-T225 PolarHBondContact O-N 2.9Å; T225-I227 VanDerWaalsContact C-N 3.33Å; T225-I227 HydrophobicContact CG2-CG1 4.15Å; T225-I227 PolarHBondContact O-N 2.74Å |
| 226 | T | 37.3 | Very low | 41 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 76% | 0.761 | 74% | 0.739 | S | S | * | * | | | trans | -70.8 | 88.9 | 170.4 | 55.2 | 0 | 0 | 0 | 0 | 109.3 | P224 P228 | P224-T226 VanDerWaalsContact C-N 3.26Å; P224-T226 PolarHBondContact O-N 3.46Å; T226-P228 VanDerWaalsContact O-CD 3.24Å; T226-P228 WeakPolarHBondContact O-CD 3.43Å |
| 227 | I | 43.8 | Very low | 40.6 | Very low | 144 Ų | 144 | 126.5 Ų | 126.5 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | | | trans | -60.3 | 116.1 | 175.3 | -58.5 | 173.2 | 0 | 0 | 0 | 108.2 | T225 L229 | T225-I227 VanDerWaalsContact C-N 3.33Å; T225-I227 HydrophobicContact CG2-CG1 4.15Å; T225-I227 PolarHBondContact O-N 2.74Å; I227-L229 PolarHBondContact O-N 3.23Å |
| 228 | P | 37 | Very low | 40.4 | Very low | 99 Ų | 99 | 123.9 Ų | 123.9 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | | | trans | -70.2 | 116.9 | 172.4 | 29 | -31.6 | 0 | 0 | 0 | 108.2 | T226 V230 | T226-P228 VanDerWaalsContact O-CD 3.24Å; T226-P228 WeakPolarHBondContact O-CD 3.43Å; P228-V230 PolarHBondContact O-N 3.39Å |
| 229 | L | 43.4 | Very low | 40.7 | Very low | 146 Ų | 146 | 125.5 Ų | 125.5 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | | | trans | -75.4 | 62.8 | 176.2 | -171.1 | 63.7 | 0 | 0 | 0 | 110.9 | I227 R231 | I227-L229 PolarHBondContact O-N 3.23Å; L229-R231 PolarHBondContact O-N 3.04Å; L229-R231 VanDerWaalsContact O-N 3.1Å |
| 230 | V | 41.8 | Very low | 40.4 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | | | trans | -69.9 | 100.5 | 166.5 | -75.8 | 0 | 0 | 0 | 0 | 108.2 | P228 | P228-V230 PolarHBondContact O-N 3.39Š|
| 231 | R | 40 | Very low | 40.7 | Very low | 205 Ų | 205 | 124 Ų | 124 | 77% | 0.774 | 74% | 0.738 | S | S | * | * | | | trans | -56.9 | 128.4 | 168.7 | -70.8 | -178 | 171.2 | 89.4 | -2.9 | 107.9 | L229 V233 | L229-R231 PolarHBondContact O-N 3.04Å; L229-R231 VanDerWaalsContact O-N 3.1Å; R231-V233 PolarHBondContact O-N 3.44Å; R231-V233 VanDerWaalsContact O-N 3.08Å |
| 232 | P | 36.6 | Very low | 41.1 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | | | trans | -63.3 | 115.8 | 175.9 | 25.6 | -32.8 | 0 | 0 | 0 | 108.9 | T234 | P232-T234 PolarHBondContact O-N 3.01Å; P232-T234 VanDerWaalsContact O-N 3.14Å |
| 233 | V | 41 | Very low | 41.1 | Very low | 125 Ų | 125 | 123.8 Ų | 123.8 | 76% | 0.758 | 74% | 0.744 | S | S | * | * | | | trans | -74.5 | 102.5 | 170.1 | 176.5 | 0 | 0 | 0 | 0 | 106.9 | R231 V235 | R231-V233 PolarHBondContact O-N 3.44Å; R231-V233 VanDerWaalsContact O-N 3.08Å; V233-V235 HydrophobicContact CG1-CG2 4.42Å; V233-V235 PolarHBondContact O-N 3.33Å |
| 234 | T | 37 | Very low | 41.2 | Very low | 115 Ų | 115 | 120.8 Ų | 120.8 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | | | trans | -64.7 | 96.3 | 171.6 | -57 | 0 | 0 | 0 | 0 | 109 | P232 V236 | P232-T234 PolarHBondContact O-N 3.01Å; P232-T234 VanDerWaalsContact O-N 3.14Å; T234-V236 HydrophobicContact CG2-CG2 4.05Å; T234-V236 PolarHBondContact O-N 3.42Å |
| 235 | V | 46 | Very low | 41.9 | Very low | 125 Ų | 125 | 122 Ų | 122 | 76% | 0.758 | 75% | 0.753 | S | S | * | * | | | trans | -71.8 | 94.1 | 169.8 | -178.1 | 0 | 0 | 0 | 0 | 107.6 | V233 | V233-V235 HydrophobicContact CG1-CG2 4.42Å; V233-V235 PolarHBondContact O-N 3.33Å |
| 236 | V | 40 | Very low | 42 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 67% | 0.667 | 76% | 0.759 | S | S | * | * | | | trans | -69.6 | 126.8 | 174.5 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | T234 A238 | T234-V236 HydrophobicContact CG2-CG2 4.05Å; T234-V236 PolarHBondContact O-N 3.42Å; V236-A238 PolarHBondContact O-N 3.04Å |
| 237 | P | 36.5 | Very low | 42.4 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | | | trans | -59.2 | 127.8 | 172.9 | -24 | 34.9 | 0 | 0 | 0 | 110.8 | V239 | P237-V239 PolarHBondContact O-N 3.37Š|
| 238 | A | 40.3 | Very low | 42.3 | Very low | 101 Ų | 101 | 121.4 Ų | 121.4 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | | | trans | -70 | 114.7 | -174 | 0 | 0 | 0 | 0 | 0 | 111.9 | V236 | V236-A238 PolarHBondContact O-N 3.04Š|
| 239 | V | 42.6 | Very low | 42.3 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | | | trans | -92.1 | 122.3 | 167.3 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | P237 G241 | P237-V239 PolarHBondContact O-N 3.37Å; V239-G241 PolarHBondContact O-N 3.42Å |
| 240 | P | 40.2 | Very low | 42.4 | Very low | 129 Ų | 129 | 123.5 Ų | 123.5 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -66.1 | 131.3 | 176.2 | -19.7 | 32.3 | 0 | 0 | 0 | 111.4 | | |
| 241 | G | 51 | Low | 42.3 | Very low | 76 Ų | 76 | 125.6 Ų | 125.6 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 142.5 | -1.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | V239 | V239-G241 PolarHBondContact O-N 3.42Š|
| 242 | I | 47.4 | Very low | 42.4 | Very low | 156 Ų | 156 | 121.2 Ų | 121.2 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -130.7 | 141.5 | 178.8 | 53 | 174.5 | 0 | 0 | 0 | 113 | G244 | I242-G244 PolarHBondContact O-N 3.14Š|
| 243 | P | 44.1 | Very low | 43 | Very low | 135 Ų | 135 | 122.4 Ų | 122.4 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 128.4 | 176.7 | -19.4 | 32.7 | 0 | 0 | 0 | 112.2 | | |
| 244 | G | 43 | Very low | 43.6 | Very low | 66 Ų | 66 | 122.7 Ų | 122.7 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 151.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I242 | I242-G244 PolarHBondContact O-N 3.14Š|
| 245 | P | 51.1 | Low | 44.9 | Very low | 118 Ų | 118 | 120.8 Ų | 120.8 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 159.1 | 170.1 | 30.6 | -35.2 | 0 | 0 | 0 | 111.7 | | |
| 246 | P | 41.4 | Very low | 45.9 | Very low | 130 Ų | 130 | 122.7 Ų | 122.7 | 84% | 0.844 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 138.5 | -171.1 | 25.9 | -35.1 | 0 | 0 | 0 | 113.9 | | |
| 247 | S | 46.3 | Very low | 46.9 | Very low | 114 Ų | 114 | 121 Ų | 121 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 139.9 | 177.6 | -59.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 248 | P | 42.3 | Very low | 48.4 | Very low | 129 Ų | 129 | 121.1 Ų | 121.1 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 136.5 | 166.7 | 30.2 | -32.8 | 0 | 0 | 0 | 111.6 | | |
| 249 | Q | 35.9 | Very low | 49.9 | Very low | 188 Ų | 188 | 121.2 Ų | 121.2 | 88% | 0.879 | 73% | 0.734 | S | S | * | * | | | trans | -82.9 | -176.8 | 174.8 | -116.6 | -167.8 | -121.7 | 0 | 0 | 111.6 | | |
| 250 | P | 46.1 | Very low | 51.1 | Low | 100 Ų | 100 | 123 Ų | 123 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | | | trans | -105.5 | 164.4 | -132 | 41.5 | -36.1 | 0 | 0 | 0 | 116.2 | | |
| 251 | Q | 38.9 | Very low | 52.6 | Low | 164 Ų | 164 | 122.5 Ų | 122.5 | 77% | 0.766 | 72% | 0.722 | S | S | * | * | | | trans | 47.8 | 111.6 | 146.4 | -66.1 | -70.6 | -23.6 | 0 | 0 | 118.2 | V253 | Q251-V253 PolarHBondContact O-N 3.42Š|
| 252 | P | 41.8 | Very low | 53.7 | Low | 112 Ų | 112 | 124.3 Ų | 124.3 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | | | trans | -70 | 103.3 | 174.5 | 29.7 | -33.7 | 0 | 0 | 0 | 111.4 | Q254 | P252-Q254 PolarHBondContact O-N 3.32Å; P252-Q254 VanDerWaalsContact O-N 3.12Å |
| 253 | V | 50.3 | Low | 54.6 | Low | 142 Ų | 142 | 119.4 Ų | 119.4 | 86% | 0.861 | 69% | 0.69 | S | S | * | * | | | trans | -56.9 | 114.4 | 174.8 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | Q251 S255 | Q251-V253 PolarHBondContact O-N 3.42Å; V253-S255 PolarHBondContact O-N 2.99Å |
| 254 | Q | 53.3 | Low | 55.4 | Low | 131 Ų | 131 | 117.1 Ų | 117.1 | 61% | 0.612 | 67% | 0.674 | S | S | * | * | | | trans | -79.4 | 112.6 | 179.5 | -59 | -143.2 | 17 | 0 | 0 | 109.9 | P252 | P252-Q254 PolarHBondContact O-N 3.32Å; P252-Q254 VanDerWaalsContact O-N 3.12Å |
| 255 | S | 64.2 | Low | 56.6 | Low | 76 Ų | 76 | 120.1 Ų | 120.1 | 53% | 0.531 | 67% | 0.674 | S | S | . | * | | | trans | -59.8 | 143.2 | -179.3 | 56.3 | 0 | 0 | 0 | 0 | 112.3 | V253 A257 K258 L259 | V253-S255 PolarHBondContact O-N 2.99Å; S255-A257 PolarHBondContact O-N 3.21Å; S255-A257 VanDerWaalsContact O-N 3.08Å; S255-K258 WeakPolarHBondContact O-CB 3.48Å; S255-K258 PolarHBondContact O-N 2.91Å; S255-L259 PolarHBondContact O-N 3.48Å |
| 256 | E | 66.1 | Low | 57.1 | Low | 164 Ų | 164 | 119.7 Ų | 119.7 | 77% | 0.766 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -56.2 | -30.4 | -176.3 | -67.3 | -175.6 | 88.9 | 0 | 0 | 113.3 | K258 L259 K260 | E256-K258 VanDerWaalsContact C-N 3.26Å; E256-K258 PolarHBondContact O-N 3.46Å; E256-L259 CarbonylContact O-C 3.54Å; E256-L259 WeakPolarHBondContact O-CA 3.47Å; E256-L259 WeakPolarHBondContact O-CB 3.47Å; E256-L259 PolarHBondContact O-N 3.06Å; E256-K260 PolarHBondContact O-N 2.86Å |
| 257 | A | 61.7 | Low | 58 | Low | 74 Ų | 74 | 121.8 Ų | 121.8 | 61% | 0.612 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -53.4 | -42.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S255 K260 L261 | S255-A257 PolarHBondContact O-N 3.21Å; S255-A257 VanDerWaalsContact O-N 3.08Å; A257-K260 PolarHBondContact O-N 2.96Å; A257-L261 WeakPolarHBondContact O-CB 3.5Å; A257-L261 PolarHBondContact O-N 2.99Å |
| 258 | K | 67.3 | Low | 58.1 | Low | 113 Ų | 113 | 123.5 Ų | 123.5 | 49% | 0.491 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -73.4 | -31.7 | 176.9 | -131.4 | 179.8 | 68.7 | -178.3 | 0 | 112 | S255 E256 K262 | S255-K258 WeakPolarHBondContact O-CB 3.48Å; S255-K258 PolarHBondContact O-N 2.91Å; E256-K258 VanDerWaalsContact C-N 3.26Å; E256-K258 PolarHBondContact O-N 3.46Å; K258-K262 PolarHBondContact O-N 3.32Å |
| 259 | L | 72.2 | Confident | 58 | Low | 103 Ų | 103 | 123.3 Ų | 123.3 | 54% | 0.539 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -69.2 | -34.2 | 174.8 | -163.3 | 76.1 | 0 | 0 | 0 | 112.4 | S255 E256 K262 | S255-L259 PolarHBondContact O-N 3.48Å; E256-L259 CarbonylContact O-C 3.54Å; E256-L259 WeakPolarHBondContact O-CA 3.47Å; E256-L259 WeakPolarHBondContact O-CB 3.47Å; E256-L259 PolarHBondContact O-N 3.06Å; L259-K262 HydrophobicContact CD1-CD 4.31Å; L259-K262 WeakPolarHBondContact O-CG 3.16Å; L259-K262 PolarHBondContact O-NZ 3.32Å |
| 260 | K | 69.4 | Low | 58.1 | Low | 162 Ų | 162 | 119.4 Ų | 119.4 | 70% | 0.704 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72.2 | -49.1 | 172.2 | -111 | 177.5 | 177.4 | 174.5 | 0 | 111.6 | E256 A257 K262 A263 T264 | E256-K260 PolarHBondContact O-N 2.86Å; A257-K260 PolarHBondContact O-N 2.96Å; K260-K262 VanDerWaalsContact C-N 3.32Å; K260-K262 PolarHBondContact O-N 2.95Å; K260-A263 WeakPolarHBondContact O-CA 3.22Å; K260-A263 WeakPolarHBondContact O-CB 3.48Å; K260-A263 PolarHBondContact O-N 3.26Å; K260-T264 PolarHBondContact O-N 2.81Å; K260-T264 PolarHBondContact O-OG1 2.74Å |
| 261 | L | 71.3 | Confident | 57.8 | Low | 120 Ų | 120 | 122.3 Ų | 122.3 | 63% | 0.628 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -54.8 | -45 | -177.5 | -175.2 | 65.1 | 0 | 0 | 0 | 112.5 | A257 A263 T264 L265 | A257-L261 WeakPolarHBondContact O-CB 3.5Å; A257-L261 PolarHBondContact O-N 2.99Å; L261-A263 PolarHBondContact O-N 3.22Å; L261-T264 PolarHBondContact O-N 3.31Å; L261-L265 WeakPolarHBondContact O-CB 3.35Å; L261-L265 PolarHBondContact O-N 2.93Å |
| 262 | K | 74.2 | Confident | 57.8 | Low | 113 Ų | 113 | 120.6 Ų | 120.6 | 49% | 0.491 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -63.2 | -30.1 | 176.6 | 90 | -164.4 | -170.8 | -42.5 | 0 | 112.9 | K258 L259 K260 C266 | K258-K262 PolarHBondContact O-N 3.32Å; L259-K262 HydrophobicContact CD1-CD 4.31Å; L259-K262 WeakPolarHBondContact O-CG 3.16Å; L259-K262 PolarHBondContact O-NZ 3.32Å; K260-K262 VanDerWaalsContact C-N 3.32Å; K260-K262 PolarHBondContact O-N 2.95Å; K262-C266 PolarHBondContact O-N 2.81Å; K262-C266 VanDerWaalsContact O-N 3.14Å |
| 263 | A | 65.7 | Low | 57.7 | Low | 53 Ų | 53 | 121 Ų | 121 | 44% | 0.438 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -77.8 | -41.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111 | K260 L261 C266 Q267 | K260-A263 WeakPolarHBondContact O-CA 3.22Å; K260-A263 WeakPolarHBondContact O-CB 3.48Å; K260-A263 PolarHBondContact O-N 3.26Å; L261-A263 PolarHBondContact O-N 3.22Å; A263-C266 PolarHBondContact O-N 3.3Å; A263-Q267 PolarHBondContact O-N 2.86Å |
| 264 | T | 61.8 | Low | 56.9 | Low | 87 Ų | 87 | 121.4 Ų | 121.4 | 53% | 0.534 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -62.2 | -44.6 | 170.5 | -51.8 | 0 | 0 | 0 | 0 | 111 | K260 L261 C266 Q267 Q268 | K260-T264 PolarHBondContact O-N 2.81Å; K260-T264 PolarHBondContact O-OG1 2.74Å; L261-T264 PolarHBondContact O-N 3.31Å; T264-C266 VanDerWaalsContact C-N 3.33Å; T264-C266 PolarHBondContact O-N 2.88Å; T264-Q267 PolarHBondContact O-N 3.36Å; T264-Q268 PolarHBondContact O-N 3.04Å |
| 265 | L | 67.2 | Low | 56.1 | Low | 129 Ų | 129 | 118.9 Ų | 118.9 | 68% | 0.675 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -61.8 | -37.5 | 179.5 | -169.6 | 65.5 | 0 | 0 | 0 | 112.7 | L261 Q267 Q268 | L261-L265 WeakPolarHBondContact O-CB 3.35Å; L261-L265 PolarHBondContact O-N 2.93Å; L265-Q267 VanDerWaalsContact C-N 3.28Å; L265-Q267 PolarHBondContact O-N 2.96Å; L265-Q268 PolarHBondContact O-N 3.35Å |
| 266 | C | 61 | Low | 54.7 | Low | 110 Ų | 110 | 123.4 Ų | 123.4 | 74% | 0.743 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -69.7 | -18.6 | 172.8 | -81 | 0 | 0 | 0 | 0 | 114.5 | K262 A263 T264 | K262-C266 PolarHBondContact O-N 2.81Å; K262-C266 VanDerWaalsContact O-N 3.14Å; A263-C266 PolarHBondContact O-N 3.3Å; T264-C266 VanDerWaalsContact C-N 3.33Å; T264-C266 PolarHBondContact O-N 2.88Å |
| 267 | Q | 61.2 | Low | 53.6 | Low | 173 Ų | 173 | 119 Ų | 119 | 81% | 0.808 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -88.2 | -21.2 | 176.5 | -162.9 | 176.8 | 109.8 | 0 | 0 | 112.3 | A263 T264 L265 L269 | A263-Q267 PolarHBondContact O-N 2.86Å; T264-Q267 PolarHBondContact O-N 3.36Å; L265-Q267 VanDerWaalsContact C-N 3.28Å; L265-Q267 PolarHBondContact O-N 2.96Å; Q267-L269 VanDerWaalsContact C-N 3.3Å; Q267-L269 PolarHBondContact O-N 3.24Å |
| 268 | Q | 47.8 | Very low | 52.2 | Low | 150 Ų | 150 | 119.3 Ų | 119.3 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -82 | 1.9 | -174.9 | -155.3 | 68.7 | 34.7 | 0 | 0 | 114.2 | T264 L265 P270 | T264-Q268 PolarHBondContact O-N 3.04Å; L265-Q268 PolarHBondContact O-N 3.35Å; Q268-P270 WeakPolarHBondContact O-CD 3.48Å |
| 269 | L | 39.7 | Very low | 51 | Low | 125 Ų | 125 | 123.2 Ų | 123.2 | 65% | 0.654 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -101.6 | 110.8 | -179.2 | -172.2 | 69.4 | 0 | 0 | 0 | 111.1 | Q267 Q271 | Q267-L269 VanDerWaalsContact C-N 3.3Å; Q267-L269 PolarHBondContact O-N 3.24Å; L269-Q271 PolarHBondContact O-N 3.27Å |
| 270 | P | 38.6 | Very low | 49.4 | Very low | 106 Ų | 106 | 125.4 Ų | 125.4 | 69% | 0.688 | 73% | 0.726 | S | S | * | * | | | trans | -66 | 119.8 | 174.6 | -19.4 | 33 | 0 | 0 | 0 | 110.8 | Q268 V272 | Q268-P270 WeakPolarHBondContact O-CD 3.48Å; P270-V272 PolarHBondContact O-N 3.47Å |
| 271 | Q | 41 | Very low | 48 | Very low | 161 Ų | 161 | 125.9 Ų | 125.9 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | | | trans | -71.8 | 110.3 | 174.9 | -65.9 | -74.7 | 24.9 | 0 | 0 | 109.7 | L269 T273 | L269-Q271 PolarHBondContact O-N 3.27Å; Q271-T273 PolarHBondContact O-N 3.44Å |
| 272 | V | 37 | Very low | 46.2 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | | | trans | -80.9 | 67.6 | 177.2 | -169 | 0 | 0 | 0 | 0 | 109.8 | P270 N274 | P270-V272 PolarHBondContact O-N 3.47Å; V272-N274 PolarHBondContact O-N 2.93Å |
| 273 | T | 40.3 | Very low | 44.4 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | trans | -81.6 | 109.6 | 176.7 | -58.7 | 0 | 0 | 0 | 0 | 110 | Q271 | Q271-T273 PolarHBondContact O-N 3.44Š|
| 274 | N | 34.7 | Very low | 42.9 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | | | trans | -94 | 123.5 | 170.4 | -85.6 | -46.5 | 0 | 0 | 0 | 111 | V272 | V272-N274 PolarHBondContact O-N 2.93Š|
| 275 | G | 36.3 | Very low | 41.6 | Very low | 77 Ų | 77 | 129.7 Ų | 129.7 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | 77 | 95.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 276 | D | 34.6 | Very low | 40.3 | Very low | 172 Ų | 172 | 131.2 Ų | 131.2 | 92% | 0.92 | 79% | 0.79 | S | S | * | * | | | trans | -143.7 | 157.2 | 130.7 | -165.2 | 18.1 | 0 | 0 | 0 | 109.5 | | |
| 277 | G | 41.7 | Very low | 39.2 | Very low | 72 Ų | 72 | 134 Ų | 134 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | -105.4 | 130.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 278 | G | 33.1 | Very low | 37.9 | Very low | 80 Ų | 80 | 132.2 Ų | 132.2 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -157.1 | 123.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 279 | E | 43 | Very low | 37.4 | Very low | 195 Ų | 195 | 131.8 Ų | 131.8 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | | | trans | -79 | 146.6 | 177.4 | -60 | 174.3 | 88.1 | 0 | 0 | 111.8 | | |
| 280 | V | 38.4 | Very low | 37.1 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 90% | 0.903 | 81% | 0.805 | S | S | * | * | | | | -174.7 | 154.9 | 126.4 | 141.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 281 | Q | 39.6 | Very low | 37.1 | Very low | 171 Ų | 171 | 133 Ų | 133 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | | | trans | -88 | 153.5 | -166.7 | -56.2 | 160.1 | 10.1 | 0 | 0 | 113.6 | | |
| 282 | S | 34.3 | Very low | 36.8 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | trans | -159.3 | 130.3 | 136.2 | -84.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 283 | S | 35.9 | Very low | 37 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | | | trans | -101.9 | 138.2 | -174.4 | -56.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 284 | A | 34 | Very low | 37.1 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | | | trans | -141.8 | 110.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 285 | V | 35.1 | Very low | 37.4 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | | | trans | -96.4 | 127.5 | -177.7 | 173 | 0 | 0 | 0 | 0 | 110.1 | H287 | V285-H287 VanDerWaalsContact CG1-CD2 3.48Å; V285-H287 WeakPolarHBondContact CG1-CD2 3.48Å |
| 286 | I | 39.8 | Very low | 37.7 | Very low | 160 Ų | 160 | 128.3 Ų | 128.3 | 82% | 0.821 | 81% | 0.808 | S | S | * | * | | | trans | -133.6 | 124.5 | 151.5 | -63.9 | -66.7 | 0 | 0 | 0 | 107.2 | | |
| 287 | H | 37.6 | Very low | 37.8 | Very low | 168 Ų | 168 | 126.6 Ų | 126.6 | 78% | 0.778 | 80% | 0.804 | S | S | * | * | | | trans | -84.6 | 135.7 | 174.8 | -62.7 | 167.1 | 0 | 0 | 0 | 111 | V285 | V285-H287 VanDerWaalsContact CG1-CD2 3.48Å; V285-H287 WeakPolarHBondContact CG1-CD2 3.48Å |
| 288 | T | 33.1 | Very low | 38 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | | | trans | -134.2 | 139.4 | 153.8 | -62.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 289 | V | 36.6 | Very low | 38.5 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 145.2 | -168.7 | -101 | 0 | 0 | 0 | 0 | 113.9 | | |
| 290 | N | 33.8 | Very low | 38.4 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 123.6 | 178.9 | 173.1 | 91.9 | 0 | 0 | 0 | 112.3 | | |
| 291 | P | 39.8 | Very low | 38.5 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 138.9 | 160.8 | 33.2 | -30.5 | 0 | 0 | 0 | 110.9 | | |
| 292 | A | 34.8 | Very low | 38.8 | Very low | 89 Ų | 89 | 124.2 Ų | 124.2 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -92 | 157.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 293 | S | 40.4 | Very low | 38.9 | Very low | 113 Ų | 113 | 124.6 Ų | 124.6 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 143.9 | 172.7 | -49.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 294 | P | 43.5 | Very low | 39.8 | Very low | 130 Ų | 130 | 124.4 Ų | 124.4 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -77 | 142.9 | 157.5 | -9.4 | 27 | 0 | 0 | 0 | 111.1 | | |
| 295 | A | 39.7 | Very low | 40.4 | Very low | 80 Ų | 80 | 125.3 Ų | 125.3 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -94 | 154.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 296 | P | 42.8 | Very low | 40.2 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 146.4 | 179.5 | 30.9 | -35.5 | 0 | 0 | 0 | 112.5 | | |
| 297 | T | 36.5 | Very low | 40.7 | Very low | 135 Ų | 135 | 123.7 Ų | 123.7 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | | | trans | -141.2 | 161.5 | 175.7 | 25 | 0 | 0 | 0 | 0 | 110.6 | | |
| 298 | P | 46.4 | Very low | 40.5 | Very low | 117 Ų | 117 | 122 Ų | 122 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | | | | -108.3 | -178.8 | -129 | 40.7 | -39.7 | 0 | 0 | 0 | 117.4 | | |
| 299 | T | 42.5 | Very low | 41.3 | Very low | 135 Ų | 135 | 121.3 Ų | 121.3 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | | | trans | -65 | 152.6 | 174.8 | 42.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 300 | P | 41.2 | Very low | 41.2 | Very low | 121 Ų | 121 | 118.8 Ų | 118.8 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | | | trans | -132.1 | 120.3 | 159.2 | 35.4 | -20.4 | 0 | 0 | 0 | 114.5 | | |
| 301 | V | 41.3 | Very low | 41.2 | Very low | 139 Ų | 139 | 116.6 Ų | 116.6 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | | | trans | -148.4 | 121.9 | 161.3 | 171.3 | 0 | 0 | 0 | 0 | 104.5 | | |
| 302 | P | 45.4 | Very low | 41 | Very low | 106 Ų | 106 | 118.4 Ų | 118.4 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | | | | -159.2 | 173.1 | 87.1 | 40.8 | -19.6 | 0 | 0 | 0 | 119.6 | | |
| 303 | T | 37.1 | Very low | 41 | Very low | 134 Ų | 134 | 121.9 Ų | 121.9 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | trans | 77.3 | 149.5 | 148.6 | 37.2 | 0 | 0 | 0 | 0 | 122.7 | | |
| 304 | P | 53.8 | Low | 40.9 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -104.5 | 179.8 | -174.1 | 43.2 | -37.2 | 0 | 0 | 0 | 114.6 | | |
| 305 | P | 46.4 | Very low | 41.3 | Very low | 125 Ų | 125 | 121.8 Ų | 121.8 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | | | | -145.2 | 176.9 | 108.1 | 39.3 | -24.4 | 0 | 0 | 0 | 117 | | |
| 306 | T | 32.5 | Very low | 41.2 | Very low | 130 Ų | 130 | 122.1 Ų | 122.1 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | | | trans | -75.8 | -175.1 | 176.2 | 7 | 0 | 0 | 0 | 0 | 114 | | |
| 307 | P | 49.6 | Very low | 41.3 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | | | cis | -140.2 | 162.4 | -9.9 | 37.9 | -18.7 | 0 | 0 | 0 | 118.5 | | |
| 308 | V | 33.3 | Very low | 41.2 | Very low | 132 Ų | 132 | 124.8 Ų | 124.8 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | | | trans | 42.3 | 173.3 | 141.6 | -50 | 0 | 0 | 0 | 0 | 122.5 | | |
| 309 | P | 51 | Low | 40.7 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | cis | -127.5 | -149.4 | -6.1 | 47.2 | -30.2 | 0 | 0 | 0 | 111.7 | | |
| 310 | A | 33.5 | Very low | 40.9 | Very low | 87 Ų | 87 | 125.8 Ų | 125.8 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | | | cis | -156.2 | 126.6 | -6.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 311 | A | 33.3 | Very low | 40.3 | Very low | 92 Ų | 92 | 126.1 Ų | 126.1 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | trans | -179 | 91.9 | 157 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 312 | I | 35.4 | Very low | 39.9 | Very low | 156 Ų | 156 | 125.6 Ų | 125.6 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | | | | 66.1 | 91.2 | 85.3 | -56.9 | 166.3 | 0 | 0 | 0 | 113.7 | | |
| 313 | L | 35.9 | Very low | 39.2 | Very low | 163 Ų | 163 | 129.9 Ų | 129.9 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | | | | -178.8 | 159.6 | 120.5 | -93.3 | 178.3 | 0 | 0 | 0 | 111.5 | | |
| 314 | T | 38.7 | Very low | 38.9 | Very low | 130 Ų | 130 | 131 Ų | 131 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | | | trans | -158.7 | 175 | -166.8 | 22 | 0 | 0 | 0 | 0 | 110.1 | | |
| 315 | P | 50.7 | Low | 38 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | | | cis | -138.7 | 166.9 | -22.4 | 36.2 | -18.4 | 0 | 0 | 0 | 116.2 | | |
| 316 | A | 37.2 | Very low | 37.2 | Very low | 87 Ų | 87 | 128.6 Ų | 128.6 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | | | trans | 58 | 165.1 | 144.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 317 | P | 46.1 | Very low | 37.2 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | | | | -125 | -174.8 | 65.2 | 39 | -27.1 | 0 | 0 | 0 | 114.8 | | |
| 318 | Q | 33.5 | Very low | 36.5 | Very low | 188 Ų | 188 | 132.3 Ų | 132.3 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | trans | -128.1 | 170.2 | -174 | -76.5 | -168.7 | -30.3 | 0 | 0 | 115 | | |
| 319 | L | 36.8 | Very low | 36.5 | Very low | 153 Ų | 153 | 129.6 Ų | 129.6 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | | | trans | -43.4 | 152.3 | 172.7 | -165.1 | 79.1 | 0 | 0 | 0 | 116.7 | | |
| 320 | P | 45.5 | Very low | 35.6 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | | | trans | -112.8 | 157.5 | 154.2 | 37.8 | -29 | 0 | 0 | 0 | 113.8 | | |
| 321 | T | 28.8 | Very low | 35.6 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -121.9 | 161.3 | -177.7 | -43.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 322 | T | 32.8 | Very low | 35.7 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | | | trans | -50 | 142.2 | 177.7 | -37 | 0 | 0 | 0 | 0 | 116.4 | | |
| 323 | E | 30.7 | Very low | 36.4 | Very low | 196 Ų | 196 | 135.9 Ų | 135.9 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | | | | -162.2 | -173.2 | 126.3 | -131.4 | 174.9 | 77.2 | 0 | 0 | 113 | | |
| 324 | E | 32.3 | Very low | 36.2 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | trans | -132.6 | 151.8 | -155.1 | -175.6 | -107.3 | 119.1 | 0 | 0 | 114 | S326 | E324-S326 PolarHBondContact OE1-N 2.91Š|
| 325 | A | 33.4 | Very low | 36 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | | | trans | -168.8 | 102.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 326 | S | 31.1 | Very low | 35.2 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | | | trans | 5.1 | 135.6 | 149 | -165.6 | 0 | 0 | 0 | 0 | 123.2 | E324 | E324-S326 PolarHBondContact OE1-N 2.91Š|
| 327 | T | 31.5 | Very low | 35.1 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | | 172.5 | 137.2 | 106.7 | 33.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 328 | H | 35.3 | Very low | 34.7 | Very low | 181 Ų | 181 | 133.8 Ų | 133.8 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | | | trans | 40.3 | 138.7 | 135.9 | -131.2 | -131 | 0 | 0 | 0 | 121.7 | | |
| 329 | S | 32.4 | Very low | 34.8 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 52% | 0.524 | 77% | 0.767 | S | S | . | * | | | cis | -172.7 | 167.3 | -2.1 | -140.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 330 | L | 33.1 | Very low | 35.1 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | | | trans | 63 | 145.7 | 146.5 | -83.1 | 159.6 | 0 | 0 | 0 | 124.1 | | |
| 331 | Q | 33.1 | Very low | 35.4 | Very low | 165 Ų | 165 | 132.3 Ų | 132.3 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | | | trans | 86.8 | 104.6 | 145.6 | -140.2 | 57.4 | 60.2 | 0 | 0 | 122.3 | | |
| 332 | Q | 36.5 | Very low | 35.6 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | | | trans | -80.5 | 162.1 | 148.5 | -75.2 | -170.6 | 2.5 | 0 | 0 | 109.9 | | |
| 333 | P | 48.4 | Very low | 35.7 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | | | cis | -156.1 | 166.4 | 38.9 | 44.3 | -22.7 | 0 | 0 | 0 | 121.5 | | |
| 334 | A | 32.3 | Very low | 35.7 | Very low | 88 Ų | 88 | 131.6 Ų | 131.6 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | 67.6 | 159.1 | 136.2 | 0 | 0 | 0 | 0 | 0 | 125.1 | | |
| 335 | T | 33.9 | Very low | 35.8 | Very low | 135 Ų | 135 | 132 Ų | 132 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | | | trans | 100.2 | 101.5 | 154.3 | 67.1 | 0 | 0 | 0 | 0 | 122.4 | | |
| 336 | S | 34 | Very low | 35.8 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | | | | 80.1 | 166.6 | 125.7 | -144 | 0 | 0 | 0 | 0 | 122.8 | | |
| 337 | T | 36.2 | Very low | 35.8 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | 76.8 | 101.6 | 178 | -45.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 338 | T | 37.8 | Very low | 36.1 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | | 79.6 | 110 | 55.7 | -60.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 339 | E | 35.1 | Very low | 36.8 | Very low | 185 Ų | 185 | 129.7 Ų | 129.7 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | | -165.6 | 154.7 | 115.8 | -94 | -149.2 | 120.5 | 0 | 0 | 111.6 | | |
| 340 | T | 42.5 | Very low | 37.1 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | -129.4 | 151.6 | 172.1 | -19.4 | 0 | 0 | 0 | 0 | 106.3 | | |
| 341 | P | 52.7 | Low | 37 | Very low | 123 Ų | 123 | 130.5 Ų | 130.5 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | | | | -155 | 140.6 | 89.2 | 36.6 | -17.3 | 0 | 0 | 0 | 116.3 | | |
| 342 | V | 33.3 | Very low | 37.1 | Very low | 150 Ų | 150 | 129.3 Ų | 129.3 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | | | trans | -136.5 | 124 | 140.2 | -177.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 343 | G | 33.3 | Very low | 36.9 | Very low | 64 Ų | 64 | 128.8 Ų | 128.8 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | | | trans | -158.8 | 115.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 344 | F | 31.7 | Very low | 36.3 | Very low | 222 Ų | 222 | 134.5 Ų | 134.5 | 97% | 0.974 | 78% | 0.784 | S | S | * | * | | | trans | -139.1 | 148.5 | 154.1 | -103.7 | -77.6 | 0 | 0 | 0 | 108.9 | | |
| 345 | H | 35.3 | Very low | 36.4 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | | | trans | -134.2 | 123.9 | -149.4 | -164.6 | -116.9 | 0 | 0 | 0 | 110.6 | | |
| 346 | A | 32.5 | Very low | 37.3 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -151.9 | 74.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 347 | N | 30.6 | Very low | 37.3 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | trans | 18.6 | 120.7 | 142.3 | -60.9 | -29.3 | 0 | 0 | 0 | 119.8 | | |
| 348 | S | 37.5 | Very low | 37.6 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | -78.5 | 175.7 | 137.3 | 62.6 | 0 | 0 | 0 | 0 | 110 | | |
| 349 | P | 51.5 | Low | 37.7 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | | | | -156.8 | 171.5 | 94.3 | 41.3 | -23.2 | 0 | 0 | 0 | 117.1 | | |
| 350 | T | 37.3 | Very low | 37.8 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | trans | 62.1 | 156.7 | 153.5 | 52.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 351 | C | 32.5 | Very low | 37.6 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | | | cis | -172.6 | 164.5 | -17.3 | -100.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 352 | I | 35.3 | Very low | 36.8 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | | | cis | -167.9 | 165 | -19.3 | -163.6 | 169.7 | 0 | 0 | 0 | 108.3 | | |
| 353 | L | 31.7 | Very low | 37.2 | Very low | 155 Ų | 155 | 137 Ų | 137 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | | | trans | 68.1 | 147.1 | 178.1 | -99.4 | 56.6 | 0 | 0 | 0 | 114.9 | | |
| 354 | R | 34.6 | Very low | 37.5 | Very low | 235 Ų | 235 | 141.4 Ų | 141.4 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | | | cis | -153.2 | 143.5 | 33.4 | -162.3 | 179 | -169.7 | 173.9 | 2.4 | 112.4 | | |
| 355 | T | 35.6 | Very low | 37.9 | Very low | 128 Ų | 128 | 139 Ų | 139 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | -88.3 | 177.2 | 173.6 | 26.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 356 | P | 53.5 | Low | 38.3 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | | | cis | -129.2 | -172.9 | -14.5 | 37.9 | -20.7 | 0 | 0 | 0 | 113.4 | | |
| 357 | H | 33.3 | Very low | 39 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 73% | 0.731 | 76% | 0.759 | S | S | * | * | | | | 155.9 | 133.1 | 117.9 | -164 | -108 | 0 | 0 | 0 | 113.3 | | |
| 358 | L | 42.1 | Very low | 39.6 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | | | trans | 37.4 | 105.4 | 170.9 | -97.9 | 56.7 | 0 | 0 | 0 | 119.9 | | |
| 359 | V | 39.1 | Very low | 39.7 | Very low | 133 Ų | 133 | 144.7 Ų | 144.7 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | | | trans | -73.9 | 124.6 | 139 | 177.8 | 0 | 0 | 0 | 0 | 107.1 | E361 | V359-E361 HydrophobicContact CG1-CG 4.15Š|
| 360 | A | 38.2 | Very low | 39.4 | Very low | 80 Ų | 80 | 147.9 Ų | 147.9 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | | | trans | -111.5 | 103.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | C362 | A360-C362 PolarHBondContact O-N 3.36Š|
| 361 | E | 38.1 | Very low | 39.7 | Very low | 167 Ų | 167 | 146.2 Ų | 146.2 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | | | trans | -72.5 | 122.4 | 172.3 | -63 | -160.1 | 130.4 | 0 | 0 | 109.4 | V359 F363 | V359-E361 HydrophobicContact CG1-CG 4.15Å; E361-F363 PolarHBondContact O-N 3.12Å |
| 362 | C | 36.5 | Very low | 40 | Very low | 135 Ų | 135 | 148.9 Ų | 148.9 | 91% | 0.912 | 79% | 0.785 | S | S | * | * | | | trans | -76.7 | 62.2 | 173.2 | -72.2 | 0 | 0 | 0 | 0 | 111.3 | A360 I364 | A360-C362 PolarHBondContact O-N 3.36Å; C362-I364 PolarHBondContact O-N 3.41Å |
| 363 | F | 40.7 | Very low | 40.6 | Very low | 165 Ų | 165 | 152.7 Ų | 152.7 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | | | trans | -89.2 | 75 | 173.8 | -149.4 | -75.8 | 0 | 0 | 0 | 110.4 | E361 E365 | E361-F363 PolarHBondContact O-N 3.12Å; F363-E365 HydrophobicContact CE1-CB 4.25Å |
| 364 | I | 39.1 | Very low | 41.2 | Very low | 157 Ų | 157 | 152.7 Ų | 152.7 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | | | trans | -118.7 | 76.6 | 165.3 | -59 | -68 | 0 | 0 | 0 | 107.8 | C362 | C362-I364 PolarHBondContact O-N 3.41Š|
| 365 | E | 41.4 | Very low | 41.6 | Very low | 170 Ų | 170 | 148.6 Ų | 148.6 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | | | trans | -76 | 140.9 | 154.6 | -101.5 | -80.1 | 108.5 | 0 | 0 | 108.6 | F363 | F363-E365 HydrophobicContact CE1-CB 4.25Š|
| 366 | G | 43.8 | Very low | 41.9 | Very low | 50 Ų | 50 | 149.6 Ų | 149.6 | 52% | 0.515 | 82% | 0.817 | S | S | . | * | | | trans | 103.3 | 145.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 367 | Y | 46 | Very low | 41.2 | Very low | 232 Ų | 232 | 151.6 Ų | 151.6 | 91% | 0.91 | 82% | 0.821 | S | S | * | * | | | trans | 61.4 | 78 | 173.7 | -66.7 | -81.8 | 0 | 0 | 0 | 118 | | |
| 368 | F | 42.9 | Very low | 41.7 | Very low | 199 Ų | 199 | 151.2 Ų | 151.2 | 87% | 0.873 | 83% | 0.826 | S | S | * | * | S | Bend | | -157.1 | 139.8 | 118.4 | -130.8 | -91.5 | 0 | 0 | 0 | 112.6 | | |
| 369 | N | 40.5 | Very low | 41.7 | Very low | 154 Ų | 154 | 152.5 Ų | 152.5 | 82% | 0.824 | 84% | 0.835 | S | S | * | * | | | trans | 102 | 64.5 | -179.3 | -60.7 | -72 | 0 | 0 | 0 | 116.9 | | |
| 370 | D | 45.3 | Very low | 41.9 | Very low | 168 Ų | 168 | 153.8 Ų | 153.8 | 90% | 0.898 | 84% | 0.837 | S | S | * | * | | | trans | -140.1 | 72.8 | 152.6 | -159.7 | -16.9 | 0 | 0 | 0 | 109.6 | | |
| 371 | A | 43.8 | Very low | 42.1 | Very low | 92 Ų | 92 | 159.1 Ų | 159.1 | 76% | 0.76 | 85% | 0.849 | S | S | * | * | | | trans | -172.3 | 77.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 372 | L | 39.1 | Very low | 42.4 | Very low | 163 Ų | 163 | 158.5 Ų | 158.5 | 85% | 0.853 | 86% | 0.855 | S | S | * | * | | | | -166.8 | 98 | 125.5 | -148 | 70.3 | 0 | 0 | 0 | 111.9 | | |
| 373 | F | 47.3 | Very low | 42.9 | Very low | 221 Ų | 221 | 160.4 Ų | 160.4 | 97% | 0.969 | 85% | 0.85 | S | S | * | * | | | trans | -130 | 88.5 | 155.2 | -160.6 | -74 | 0 | 0 | 0 | 107.3 | | |
| 374 | A | 45 | Very low | 43.1 | Very low | 154 Ų | 154 | 160 Ų | 160 | 100% | 1.273 | 86% | 0.861 | S | S | * | * | | | trans | -157.6 | 0 | 178.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |