| 1 | M | 61.3 | Low | 55.5 | Low | 200 Ų | 200 | 103.7 Ų | 103.7 | 99% | 0.985 | 56% | 0.564 | S | S | * | * | | | | 0 | -62.3 | 0 | -156.3 | 170.9 | -172.4 | 0 | 0 | 111.9 | I3 I4 | M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.18Å; M1-I3 VanDerWaalsContact O-N 3.08Å; M1-I4 WeakPolarHBondContact O-CB 3.29Å; M1-I4 PolarHBondContact O-N 3.42Å |
| 2 | L | 52.5 | Low | 54.3 | Low | 132 Ų | 132 | 108.5 Ų | 108.5 | 69% | 0.691 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -40.7 | -49.5 | -175.3 | -164.3 | 80.2 | 0 | 0 | 0 | 115.7 | I4 V5 I6 | L2-I4 VanDerWaalsContact C-N 3.28Å; L2-I4 PolarHBondContact O-N 3.19Å; L2-V5 WeakPolarHBondContact O-CB 3.3Å; L2-V5 PolarHBondContact O-N 2.92Å; L2-V5 VanDerWaalsContact O-N 3.1Å; L2-I6 HydrophobicContact CD2-CD1 4.31Å; L2-I6 HydrophobicContact CG-CD1 4.13Å; L2-I6 PolarHBondContact O-N 2.87Å; L2-I6 VanDerWaalsContact O-N 3.09Å |
| 3 | I | 54.3 | Low | 54 | Low | 124 Ų | 124 | 107.9 Ų | 107.9 | 64% | 0.636 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -57.5 | -38.1 | -178.7 | -62 | 170.6 | 0 | 0 | 0 | 112.4 | M1 I6 I7 | M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.18Å; M1-I3 VanDerWaalsContact O-N 3.08Å; I3-I6 PolarHBondContact O-N 3.32Å; I3-I7 HydrophobicContact CG2-CD1 3.88Å; I3-I7 WeakPolarHBondContact O-CG1 3.28Å; I3-I7 PolarHBondContact O-N 3.09Å |
| 4 | I | 55.2 | Low | 53.1 | Low | 118 Ų | 118 | 106.7 Ų | 106.7 | 61% | 0.605 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.2 | -42.7 | 179.2 | -58.4 | 173.4 | 0 | 0 | 0 | 109.7 | M1 L2 I6 I7 S8 | M1-I4 WeakPolarHBondContact O-CB 3.29Å; M1-I4 PolarHBondContact O-N 3.42Å; L2-I4 VanDerWaalsContact C-N 3.28Å; L2-I4 PolarHBondContact O-N 3.19Å; I4-I6 VanDerWaalsContact C-N 3.35Å; I4-I6 PolarHBondContact O-N 2.6Å; I4-I7 PolarHBondContact O-N 3.24Å; I4-S8 WeakPolarHBondContact O-CB 3.21Å; I4-S8 PolarHBondContact O-N 3.24Å; I4-S8 PolarHBondContact O-OG 2.99Å; I4-S8 VanDerWaalsContact O-OG 3.11Å |
| 5 | V | 51.6 | Low | 52.4 | Low | 81 Ų | 81 | 103.9 Ų | 103.9 | 49% | 0.491 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.6 | -45 | 177 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | L2 I7 S8 S9 | L2-V5 WeakPolarHBondContact O-CB 3.3Å; L2-V5 PolarHBondContact O-N 2.92Å; L2-V5 VanDerWaalsContact O-N 3.1Å; V5-I7 PolarHBondContact O-N 3.06Å; V5-S8 PolarHBondContact O-N 3.17Å; V5-S9 WeakPolarHBondContact O-CB 3.28Å; V5-S9 PolarHBondContact O-N 3.11Å; V5-S9 PolarHBondContact O-OG 3.02Å; V5-S9 VanDerWaalsContact O-OG 3.09Å |
| 6 | I | 58.9 | Low | 51.7 | Low | 88 Ų | 88 | 101.7 Ų | 101.7 | 45% | 0.451 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 178 | -65.3 | 166.8 | 0 | 0 | 0 | 111.1 | L2 I3 I4 S9 I10 | L2-I6 HydrophobicContact CD2-CD1 4.31Å; L2-I6 HydrophobicContact CG-CD1 4.13Å; L2-I6 PolarHBondContact O-N 2.87Å; L2-I6 VanDerWaalsContact O-N 3.09Å; I3-I6 PolarHBondContact O-N 3.32Å; I4-I6 VanDerWaalsContact C-N 3.35Å; I4-I6 PolarHBondContact O-N 2.6Å; I6-S9 PolarHBondContact O-N 3.14Å; I6-I10 HydrophobicContact CG2-CD1 3.86Å; I6-I10 VanDerWaalsContact O-CG1 3.32Å; I6-I10 WeakPolarHBondContact O-CG1 3.28Å; I6-I10 PolarHBondContact O-N 3.12Å |
| 7 | I | 58.6 | Low | 50.6 | Low | 98 Ų | 98 | 101.1 Ų | 101.1 | 50% | 0.503 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 178.2 | -66.3 | 167.3 | 0 | 0 | 0 | 110.6 | I3 I4 V5 S9 I10 V11 | I3-I7 HydrophobicContact CG2-CD1 3.88Å; I3-I7 WeakPolarHBondContact O-CG1 3.28Å; I3-I7 PolarHBondContact O-N 3.09Å; I4-I7 PolarHBondContact O-N 3.24Å; V5-I7 PolarHBondContact O-N 3.06Å; I7-S9 VanDerWaalsContact C-N 3.34Å; I7-S9 PolarHBondContact O-N 3.23Å; I7-I10 PolarHBondContact O-N 2.84Å; I7-V11 WeakPolarHBondContact O-CG2 3.35Å; I7-V11 PolarHBondContact O-N 3.32Å |
| 8 | S | 52.5 | Low | 49.9 | Very low | 70 Ų | 70 | 102.3 Ų | 102.3 | 49% | 0.49 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 176.4 | -65.2 | 0 | 0 | 0 | 0 | 112.5 | I4 V5 V11 Y12 | I4-S8 WeakPolarHBondContact O-CB 3.21Å; I4-S8 PolarHBondContact O-N 3.24Å; I4-S8 PolarHBondContact O-OG 2.99Å; I4-S8 VanDerWaalsContact O-OG 3.11Å; V5-S8 PolarHBondContact O-N 3.17Å; S8-V11 PolarHBondContact O-N 2.74Å; S8-Y12 VanDerWaalsContact O-CB 3.24Å; S8-Y12 WeakPolarHBondContact O-CB 3.4Å; S8-Y12 PolarHBondContact O-N 2.7Å |
| 9 | S | 58.6 | Low | 49.2 | Very low | 55 Ų | 55 | 102.1 Ų | 102.1 | 39% | 0.385 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.3 | -43.1 | 176 | -65.7 | 0 | 0 | 0 | 0 | 112.4 | V5 I6 I7 Y12 I13 | V5-S9 WeakPolarHBondContact O-CB 3.28Å; V5-S9 PolarHBondContact O-N 3.11Å; V5-S9 PolarHBondContact O-OG 3.02Å; V5-S9 VanDerWaalsContact O-OG 3.09Å; I6-S9 PolarHBondContact O-N 3.14Å; I7-S9 VanDerWaalsContact C-N 3.34Å; I7-S9 PolarHBondContact O-N 3.23Å; S9-Y12 PolarHBondContact O-N 3.03Å; S9-I13 WeakPolarHBondContact O-CB 3.29Å; S9-I13 WeakPolarHBondContact O-CD1 3.41Å; S9-I13 VanDerWaalsContact O-CG1 3.23Å; S9-I13 WeakPolarHBondContact O-CG1 3.45Å; S9-I13 PolarHBondContact O-N 2.78Å |
| 10 | I | 57.6 | Low | 48.4 | Very low | 94 Ų | 94 | 103.6 Ų | 103.6 | 48% | 0.482 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.9 | -44.5 | 177.7 | -68 | 164.1 | 0 | 0 | 0 | 110.8 | I6 I7 N14 | I6-I10 HydrophobicContact CG2-CD1 3.86Å; I6-I10 VanDerWaalsContact O-CG1 3.32Å; I6-I10 WeakPolarHBondContact O-CG1 3.28Å; I6-I10 PolarHBondContact O-N 3.12Å; I7-I10 PolarHBondContact O-N 2.84Å; I10-N14 WeakPolarHBondContact O-CB 3.49Å; I10-N14 VanDerWaalsContact O-CG 3.28Å; I10-N14 PolarHBondContact O-N 3.4Å; I10-N14 VanDerWaalsContact O-N 3.11Å; I10-N14 PolarHBondContact O-ND2 3.22Å |
| 11 | V | 49.6 | Very low | 47.7 | Very low | 81 Ų | 81 | 102.4 Ų | 102.4 | 49% | 0.491 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.9 | -45.7 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | I7 S8 I13 N14 C15 | I7-V11 WeakPolarHBondContact O-CG2 3.35Å; I7-V11 PolarHBondContact O-N 3.32Å; S8-V11 PolarHBondContact O-N 2.74Å; V11-I13 PolarHBondContact O-N 3.04Å; V11-N14 PolarHBondContact O-N 3.35Å; V11-C15 WeakPolarHBondContact O-CB 3.41Å; V11-C15 PolarHBondContact O-N 3Å; V11-C15 PolarHBondContact O-SG 2.83Å |
| 12 | Y | 40.6 | Very low | 46.3 | Very low | 161 Ų | 161 | 95 Ų | 95 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63 | -42.3 | -179.4 | -172.8 | -111.1 | 0 | 0 | 0 | 112.9 | S8 S9 C15 I16 | S8-Y12 VanDerWaalsContact O-CB 3.24Å; S8-Y12 WeakPolarHBondContact O-CB 3.4Å; S8-Y12 PolarHBondContact O-N 2.7Å; S9-Y12 PolarHBondContact O-N 3.03Å; Y12-C15 PolarHBondContact O-N 3.48Å; Y12-I16 HydrophobicContact CD1-CD1 3.83Å; Y12-I16 HydrophobicContact CE1-CD1 3.4Å; Y12-I16 HydrophobicContact CE1-CG1 4.49Å; Y12-I16 HydrophobicContact CE2-CD1 4.3Å; Y12-I16 HydrophobicContact CG-CD1 4.45Å; Y12-I16 WeakPolarHBondContact O-CG1 3.41Å; Y12-I16 PolarHBondContact O-N 2.88Å |
| 13 | I | 51 | Low | 45.4 | Very low | 101 Ų | 101 | 91.9 Ų | 91.9 | 52% | 0.518 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61 | -48.7 | 174.9 | -70.3 | 163.4 | 0 | 0 | 0 | 110.5 | S9 V11 C15 I16 V17 | S9-I13 WeakPolarHBondContact O-CB 3.29Å; S9-I13 WeakPolarHBondContact O-CD1 3.41Å; S9-I13 VanDerWaalsContact O-CG1 3.23Å; S9-I13 WeakPolarHBondContact O-CG1 3.45Å; S9-I13 PolarHBondContact O-N 2.78Å; V11-I13 PolarHBondContact O-N 3.04Å; I13-C15 VanDerWaalsContact C-N 3.34Å; I13-C15 PolarHBondContact O-N 2.92Å; I13-I16 PolarHBondContact O-N 3.11Å; I13-V17 WeakPolarHBondContact O-CG2 3.41Å; I13-V17 PolarHBondContact O-N 2.97Å; I13-V17 VanDerWaalsContact O-N 3.14Å |
| 14 | N | 41 | Very low | 44.5 | Very low | 91 Ų | 91 | 93 Ų | 93 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 178.7 | -70.5 | -20 | 0 | 0 | 0 | 112.1 | I10 V11 V17 I18 | I10-N14 WeakPolarHBondContact O-CB 3.49Å; I10-N14 VanDerWaalsContact O-CG 3.28Å; I10-N14 PolarHBondContact O-N 3.4Å; I10-N14 VanDerWaalsContact O-N 3.11Å; I10-N14 PolarHBondContact O-ND2 3.22Å; V11-N14 PolarHBondContact O-N 3.35Å; N14-V17 PolarHBondContact O-N 2.95Å; N14-I18 WeakPolarHBondContact O-CD1 3.41Å; N14-I18 WeakPolarHBondContact O-CG1 3.43Å; N14-I18 PolarHBondContact O-N 3.27Å |
| 15 | C | 42.6 | Very low | 43.5 | Very low | 64 Ų | 64 | 93.3 Ų | 93.3 | 43% | 0.432 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.9 | -37.3 | 176.1 | -71 | 0 | 0 | 0 | 0 | 113 | V11 Y12 I13 I18 S19 | V11-C15 WeakPolarHBondContact O-CB 3.41Å; V11-C15 PolarHBondContact O-N 3Å; V11-C15 PolarHBondContact O-SG 2.83Å; Y12-C15 PolarHBondContact O-N 3.48Å; I13-C15 VanDerWaalsContact C-N 3.34Å; I13-C15 PolarHBondContact O-N 2.92Å; C15-I18 PolarHBondContact O-N 2.84Å; C15-S19 WeakPolarHBondContact O-CB 3.46Å; C15-S19 PolarHBondContact O-N 2.9Å; C15-S19 PolarHBondContact O-OG 3.04Å |
| 16 | I | 40.9 | Very low | 42.8 | Very low | 69 Ų | 69 | 96 Ų | 96 | 35% | 0.354 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 175 | -76.3 | 172.7 | 0 | 0 | 0 | 111.3 | Y12 I13 I18 S19 N20 | Y12-I16 HydrophobicContact CD1-CD1 3.83Å; Y12-I16 HydrophobicContact CE1-CD1 3.4Å; Y12-I16 HydrophobicContact CE1-CG1 4.49Å; Y12-I16 HydrophobicContact CE2-CD1 4.3Å; Y12-I16 HydrophobicContact CG-CD1 4.45Å; Y12-I16 WeakPolarHBondContact O-CG1 3.41Å; Y12-I16 PolarHBondContact O-N 2.88Å; I13-I16 PolarHBondContact O-N 3.11Å; I16-I18 PolarHBondContact O-N 2.78Å; I16-S19 PolarHBondContact O-N 2.78Å; I16-N20 PolarHBondContact O-N 3.39Å |
| 17 | V | 33.8 | Very low | 41.7 | Very low | 91 Ų | 91 | 97 Ų | 97 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.4 | -32.9 | 177.7 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | I13 N14 N21 | I13-V17 WeakPolarHBondContact O-CG2 3.41Å; I13-V17 PolarHBondContact O-N 2.97Å; I13-V17 VanDerWaalsContact O-N 3.14Å; N14-V17 PolarHBondContact O-N 2.95Å; V17-N21 PolarHBondContact O-ND2 3.07Å |
| 18 | I | 38 | Very low | 40.5 | Very low | 124 Ų | 124 | 95.1 Ų | 95.1 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -83.3 | -43.6 | 178.5 | -66.1 | 161.8 | 0 | 0 | 0 | 112.2 | N14 C15 I16 | N14-I18 WeakPolarHBondContact O-CD1 3.41Å; N14-I18 WeakPolarHBondContact O-CG1 3.43Å; N14-I18 PolarHBondContact O-N 3.27Å; C15-I18 PolarHBondContact O-N 2.84Å; I16-I18 PolarHBondContact O-N 2.78Å |
| 19 | S | 35.9 | Very low | 39.9 | Very low | 98 Ų | 98 | 97.1 Ų | 97.1 | 69% | 0.685 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -80.8 | -26.5 | -171 | -65.3 | 0 | 0 | 0 | 0 | 115.3 | C15 I16 | C15-S19 WeakPolarHBondContact O-CB 3.46Å; C15-S19 PolarHBondContact O-N 2.9Å; C15-S19 PolarHBondContact O-OG 3.04Å; I16-S19 PolarHBondContact O-N 2.78Å |
| 20 | N | 33.4 | Very low | 38.9 | Very low | 132 Ų | 132 | 100 Ų | 100 | 71% | 0.706 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 7.9 | -180 | -80.6 | -14.3 | 0 | 0 | 0 | 113.8 | I16 | I16-N20 PolarHBondContact O-N 3.39Š|
| 21 | N | 33.2 | Very low | 38 | Very low | 78 Ų | 78 | 99.2 Ų | 99.2 | 42% | 0.417 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -125.2 | 133.2 | -179.6 | -74.8 | -62.3 | 0 | 0 | 0 | 110.9 | V17 Y24 | V17-N21 PolarHBondContact O-ND2 3.07Å; N21-Y24 HydrophobicContact CB-CD2 3.82Å; N21-Y24 HydrophobicContact CB-CE2 3.81Å |
| 22 | G | 32.4 | Very low | 37.4 | Very low | 44 Ų | 44 | 98.7 Ų | 98.7 | 45% | 0.454 | 52% | 0.516 | S | S | . | . | | | trans | -56.8 | 147.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y24 | G22-Y24 VanDerWaalsContact O-CD2 3.29Å; G22-Y24 WeakPolarHBondContact O-CD2 3.43Å; G22-Y24 PolarHBondContact O-N 2.81Å |
| 23 | S | 33.9 | Very low | 37.5 | Very low | 67 Ų | 67 | 95.3 Ų | 95.3 | 47% | 0.469 | 51% | 0.505 | S | S | . | . | | | trans | -60.6 | 99.1 | -162.8 | -176.8 | 0 | 0 | 0 | 0 | 113.2 | Q25 | S23-Q25 PolarHBondContact O-N 3.43Š|
| 24 | Y | 36 | Very low | 36.7 | Very low | 149 Ų | 149 | 97 Ų | 97 | 58% | 0.584 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 88.3 | 172.6 | -65.3 | -60.9 | 0 | 0 | 0 | 110.1 | N21 G22 F26 I50 | N21-Y24 HydrophobicContact CB-CD2 3.82Å; N21-Y24 HydrophobicContact CB-CE2 3.81Å; G22-Y24 VanDerWaalsContact O-CD2 3.29Å; G22-Y24 WeakPolarHBondContact O-CD2 3.43Å; G22-Y24 PolarHBondContact O-N 2.81Å; Y24-F26 PolarHBondContact O-N 3.24Å; Y24-I50 HydrophobicContact CE1-CG1 4.5Å |
| 25 | Q | 33.9 | Very low | 36.6 | Very low | 124 Ų | 124 | 95.2 Ų | 95.2 | 58% | 0.579 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 110.2 | 158.9 | -89.4 | -105.6 | 3.9 | 0 | 0 | 108.2 | S23 F49 | S23-Q25 PolarHBondContact O-N 3.43Å; Q25-F49 HydrophobicContact CB-CB 4.2Å; Q25-F49 HydrophobicContact CB-CD2 3.92Å; Q25-F49 PolarHBondContact O-N 2.66Å |
| 26 | F | 35.4 | Very low | 36.4 | Very low | 136 Ų | 136 | 99.2 Ų | 99.2 | 60% | 0.596 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 102.9 | 173.6 | -169.1 | -93.3 | 0 | 0 | 0 | 109.3 | Y24 S46 | Y24-F26 PolarHBondContact O-N 3.24Å; F26-S46 WeakPolarHBondContact CZ-OG 3.45Å |
| 27 | Q | 36.8 | Very low | 36.2 | Very low | 110 Ų | 110 | 98.7 Ų | 98.7 | 51% | 0.514 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 103.4 | 175.7 | -166 | 174.6 | 44.2 | 0 | 0 | 109.1 | Q47 | Q27-Q47 PolarHBondContact N-O 2.72Å; Q27-Q47 PolarHBondContact O-N 3.01Å |
| 28 | S | 34.3 | Very low | 36.4 | Very low | 58 Ų | 58 | 103.6 Ų | 103.6 | 41% | 0.406 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.1 | 132.7 | 165.9 | 175.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 29 | Q | 38 | Very low | 36.2 | Very low | 113 Ų | 113 | 100 Ų | 100 | 53% | 0.528 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 100.5 | 171.2 | -167.5 | -178.8 | 97.5 | 0 | 0 | 109.2 | Q31 Q45 | Q29-Q31 HydrophobicContact CG-CG 4.45Å; Q29-Q31 PolarHBondContact O-N 3.3Å; Q29-Q45 PolarHBondContact N-O 3.13Å; Q29-Q45 VanDerWaalsContact N-O 3.13Å |
| 30 | K | 38.4 | Very low | 36 | Very low | 115 Ų | 115 | 100 Ų | 100 | 50% | 0.5 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 106.8 | 173.7 | 175.9 | 166 | 177.9 | 149.3 | 0 | 109.8 | E42 | K30-E42 VanDerWaalsContact CE-OE1 3.28Å; K30-E42 WeakPolarHBondContact CE-OE1 3.45Å; K30-E42 WeakPolarHBondContact CE-OE2 3.32Å; K30-E42 IonicContact NZ-OE1 2.72Å; K30-E42 PolarHBondContact NZ-OE1 3.43Å; K30-E42 IonicContact NZ-OE2 2.66Å; K30-E42 PolarHBondContact NZ-OE2 3.21Å |
| 31 | Q | 39.4 | Very low | 36.6 | Very low | 78 Ų | 78 | 96.4 Ų | 96.4 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 132.2 | 167 | -63.2 | -167.9 | 14.7 | 0 | 0 | 109.3 | Q29 F33 Q43 | Q29-Q31 HydrophobicContact CG-CG 4.45Å; Q29-Q31 PolarHBondContact O-N 3.3Å; Q31-F33 HydrophobicContact CB-CE2 3.95Å; Q31-F33 HydrophobicContact CB-CZ 4Å; Q31-Q43 PolarHBondContact N-O 3.14Å; Q31-Q43 PolarHBondContact O-N 2.89Å |
| 32 | T | 37.1 | Very low | 36.9 | Very low | 70 Ų | 70 | 95.5 Ų | 95.5 | 43% | 0.429 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 113.2 | -179.2 | -47.5 | 0 | 0 | 0 | 0 | 108.2 | M40 | T32-M40 HydrophobicContact CG2-CE 3.54Å; T32-M40 HydrophobicContact CG2-SD 4.11Å |
| 33 | F | 42.2 | Very low | 37.5 | Very low | 90 Ų | 90 | 95 Ų | 95 | 40% | 0.395 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 121.1 | -176.8 | -59 | -86.6 | 0 | 0 | 0 | 110.5 | Q31 A35 H41 Q43 | Q31-F33 HydrophobicContact CB-CE2 3.95Å; Q31-F33 HydrophobicContact CB-CZ 4Å; F33-A35 PolarHBondContact O-N 3.06Å; F33-A35 VanDerWaalsContact O-N 3.12Å; F33-H41 HydrophobicContact CB-CB 4.34Å; F33-H41 PolarHBondContact N-O 3.41Å; F33-H41 VanDerWaalsContact N-O 3.11Å; F33-H41 PolarHBondContact O-N 3.09Å; F33-Q43 HydrophobicContact CE2-CB 4.09Å |
| 34 | N | 34.8 | Very low | 37.9 | Very low | 136 Ų | 136 | 93.9 Ų | 93.9 | 73% | 0.727 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 86.9 | 174 | -177.2 | 3.7 | 0 | 0 | 0 | 110 | N36 | N34-N36 PolarHBondContact O-N 3.26Å; N34-N36 VanDerWaalsContact O-N 3.11Å |
| 35 | A | 38.9 | Very low | 38.2 | Very low | 53 Ų | 53 | 89.6 Ų | 89.6 | 44% | 0.438 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 83.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F33 G37 Y38 | F33-A35 PolarHBondContact O-N 3.06Å; F33-A35 VanDerWaalsContact O-N 3.12Å; A35-G37 VanDerWaalsContact C-N 3.32Å; A35-G37 PolarHBondContact O-N 3.21Å; A35-Y38 PolarHBondContact O-N 3.47Å |
| 36 | N | 37.2 | Very low | 38.3 | Very low | 148 Ų | 148 | 84.5 Ų | 84.5 | 79% | 0.791 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 38.8 | 52.1 | 166 | -71.8 | -10.2 | 0 | 0 | 0 | 115.1 | N34 Y38 | N34-N36 PolarHBondContact O-N 3.26Å; N34-N36 VanDerWaalsContact O-N 3.11Å; N36-Y38 VanDerWaalsContact C-N 3.26Å; N36-Y38 WeakPolarHBondContact O-CD2 3.23Å; N36-Y38 PolarHBondContact O-N 3.18Å; N36-Y38 VanDerWaalsContact O-N 3.14Å |
| 37 | G | 37.2 | Very low | 38.4 | Very low | 58 Ų | 58 | 80.6 Ų | 80.6 | 60% | 0.598 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 0.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | A35 | A35-G37 VanDerWaalsContact C-N 3.32Å; A35-G37 PolarHBondContact O-N 3.21Å |
| 38 | Y | 38.1 | Very low | 38.3 | Very low | 195 Ų | 195 | 76.8 Ų | 76.8 | 77% | 0.765 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.5 | -11.4 | -173.7 | -70.7 | -68.7 | 0 | 0 | 0 | 116 | A35 N36 | A35-Y38 PolarHBondContact O-N 3.47Å; N36-Y38 VanDerWaalsContact C-N 3.26Å; N36-Y38 WeakPolarHBondContact O-CD2 3.23Å; N36-Y38 PolarHBondContact O-N 3.18Å; N36-Y38 VanDerWaalsContact O-N 3.14Å |
| 39 | S | 34.4 | Very low | 38.6 | Very low | 49 Ų | 49 | 76.8 Ų | 76.8 | 34% | 0.343 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 141.6 | 168.1 | -78.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 40 | M | 31.8 | Very low | 38.6 | Very low | 96 Ų | 96 | 74.2 Ų | 74.2 | 47% | 0.473 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 109.3 | 167.9 | -72.5 | -81.7 | -79 | 0 | 0 | 108.2 | T32 | T32-M40 HydrophobicContact CG2-CE 3.54Å; T32-M40 HydrophobicContact CG2-SD 4.11Å |
| 41 | H | 44.5 | Very low | 38.6 | Very low | 58 Ų | 58 | 73.5 Ų | 73.5 | 27% | 0.269 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 111.9 | 174.1 | -162.7 | 77 | 0 | 0 | 0 | 109.7 | F33 | F33-H41 HydrophobicContact CB-CB 4.34Å; F33-H41 PolarHBondContact N-O 3.41Å; F33-H41 VanDerWaalsContact N-O 3.11Å; F33-H41 PolarHBondContact O-N 3.09Å |
| 42 | E | 41.3 | Very low | 38.4 | Very low | 59 Ų | 59 | 75.3 Ų | 75.3 | 28% | 0.276 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 109.4 | 177.6 | -179.8 | 163 | 166.4 | 0 | 0 | 110.5 | K30 N44 | K30-E42 VanDerWaalsContact CE-OE1 3.28Å; K30-E42 WeakPolarHBondContact CE-OE1 3.45Å; K30-E42 WeakPolarHBondContact CE-OE2 3.32Å; K30-E42 IonicContact NZ-OE1 2.72Å; K30-E42 PolarHBondContact NZ-OE1 3.43Å; K30-E42 IonicContact NZ-OE2 2.66Å; K30-E42 PolarHBondContact NZ-OE2 3.21Å; E42-N44 PolarHBondContact OE1-ND2 3.01Å |
| 43 | Q | 44 | Very low | 38.4 | Very low | 34 Ų | 34 | 78.5 Ų | 78.5 | 16% | 0.159 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 111.5 | 174.1 | -171.5 | 178.7 | 6.7 | 0 | 0 | 109.5 | Q31 F33 Q45 | Q31-Q43 PolarHBondContact N-O 3.14Å; Q31-Q43 PolarHBondContact O-N 2.89Å; F33-Q43 HydrophobicContact CE2-CB 4.09Å; Q43-Q45 HydrophobicContact CG-CG 4.34Å |
| 44 | N | 41.8 | Very low | 38.1 | Very low | 43 Ų | 43 | 80.2 Ų | 80.2 | 23% | 0.23 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 113.9 | 168 | -81.7 | -76 | 0 | 0 | 0 | 109.3 | E42 Q66 | E42-N44 PolarHBondContact OE1-ND2 3.01Å; N44-Q66 PolarHBondContact N-O 2.84Å; N44-Q66 PolarHBondContact O-N 2.99Å |
| 45 | Q | 42.6 | Very low | 38 | Very low | 59 Ų | 59 | 82.4 Ų | 82.4 | 28% | 0.276 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 123.9 | 161.6 | -65.7 | -162.1 | 44.2 | 0 | 0 | 108.9 | Q29 Q43 | Q29-Q45 PolarHBondContact N-O 3.13Å; Q29-Q45 VanDerWaalsContact N-O 3.13Å; Q43-Q45 HydrophobicContact CG-CG 4.34Å |
| 46 | S | 37.2 | Very low | 37.7 | Very low | 17 Ų | 17 | 81.6 Ų | 81.6 | 12% | 0.119 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 129.6 | 171.7 | -59.9 | 0 | 0 | 0 | 0 | 109.2 | F26 S64 | F26-S46 WeakPolarHBondContact CZ-OG 3.45Å; S46-S64 PolarHBondContact N-O 2.91Å; S46-S64 PolarHBondContact O-N 3.22Å; S46-S64 VanDerWaalsContact O-N 3.09Å |
| 47 | Q | 37 | Very low | 37.4 | Very low | 53 Ų | 53 | 82.7 Ų | 82.7 | 25% | 0.248 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126 | 162.6 | -70.4 | -173.3 | 66.1 | 0 | 0 | 108.7 | Q27 F49 | Q27-Q47 PolarHBondContact N-O 2.72Å; Q27-Q47 PolarHBondContact O-N 3.01Å; Q47-F49 HydrophobicContact CB-CE2 4.26Å; Q47-F49 HydrophobicContact CB-CZ 4.45Å |
| 48 | S | 33.8 | Very low | 37.5 | Very low | 30 Ų | 30 | 86.9 Ų | 86.9 | 21% | 0.21 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 137.2 | 165.3 | 55.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 49 | F | 41.1 | Very low | 37.6 | Very low | 58 Ų | 58 | 82.6 Ų | 82.6 | 25% | 0.254 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 133.2 | 169.1 | -57.7 | -86.9 | 0 | 0 | 0 | 108.6 | Q25 Q47 I59 | Q25-F49 HydrophobicContact CB-CB 4.2Å; Q25-F49 HydrophobicContact CB-CD2 3.92Å; Q25-F49 PolarHBondContact O-N 2.66Å; Q47-F49 HydrophobicContact CB-CE2 4.26Å; Q47-F49 HydrophobicContact CB-CZ 4.45Å; F49-I59 HydrophobicContact CD1-CG2 4.17Å |
| 50 | I | 38.8 | Very low | 37.9 | Very low | 59 Ų | 59 | 84.1 Ų | 84.1 | 30% | 0.303 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 104.4 | 174.8 | -57.8 | 177.5 | 0 | 0 | 0 | 107.3 | Y24 I60 | Y24-I50 HydrophobicContact CE1-CG1 4.5Å; I50-I60 HydrophobicContact CD1-CB 4.34Å; I50-I60 HydrophobicContact CD1-CD1 4.43Å |
| 51 | H | 37.9 | Very low | 38.3 | Very low | 101 Ų | 101 | 85.5 Ų | 85.5 | 47% | 0.468 | 44% | 0.438 | S | S | . | . | | | trans | -88.4 | 110.2 | 167.3 | -99.7 | 80.7 | 0 | 0 | 0 | 109.3 | | |
| 52 | N | 34.4 | Very low | 38.1 | Very low | 116 Ų | 116 | 89.2 Ų | 89.2 | 62% | 0.62 | 45% | 0.453 | S | S | * | . | | | trans | -98.9 | 112.5 | 176.3 | -152.9 | 10.4 | 0 | 0 | 0 | 108.6 | N54 | N52-N54 PolarHBondContact O-N 3.07Š|
| 53 | N | 36.6 | Very low | 38 | Very low | 136 Ų | 136 | 92 Ų | 92 | 73% | 0.727 | 47% | 0.466 | S | S | * | . | | | trans | -77.6 | 12.5 | -167.8 | -75 | 0.5 | 0 | 0 | 0 | 114.9 | | |
| 54 | N | 36.9 | Very low | 37.8 | Very low | 127 Ų | 127 | 93.2 Ų | 93.2 | 68% | 0.679 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -116.7 | 111.2 | 175.4 | -71.1 | -15.7 | 0 | 0 | 0 | 110.3 | N52 G56 | N52-N54 PolarHBondContact O-N 3.07Å; N54-G56 VanDerWaalsContact C-N 3.34Å; N54-G56 PolarHBondContact O-N 3.12Å |
| 55 | D | 31.9 | Very low | 37.8 | Very low | 181 Ų | 181 | 96.5 Ų | 96.5 | 97% | 0.968 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 51.7 | 25.9 | 153.7 | -56.5 | -28.8 | 0 | 0 | 0 | 119.9 | | |
| 56 | G | 32.6 | Very low | 37.6 | Very low | 36 Ų | 36 | 100.6 Ų | 100.6 | 37% | 0.371 | 51% | 0.511 | S | S | . | . | | | trans | -178.3 | 128 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | N54 H58 | N54-G56 VanDerWaalsContact C-N 3.34Å; N54-G56 PolarHBondContact O-N 3.12Å; G56-H58 PolarHBondContact O-N 2.9Å |
| 57 | Q | 30.6 | Very low | 37.7 | Very low | 171 Ų | 171 | 104.8 Ų | 104.8 | 80% | 0.799 | 53% | 0.529 | S | S | * | . | | | trans | -73.8 | 68.9 | 175.4 | -74.6 | -168 | 73.2 | 0 | 0 | 112.6 | I59 | Q57-I59 PolarHBondContact O-N 3.12Å; Q57-I59 VanDerWaalsContact O-N 3.12Å |
| 58 | H | 40.4 | Very low | 37.6 | Very low | 146 Ų | 146 | 104.6 Ų | 104.6 | 68% | 0.676 | 53% | 0.534 | S | S | * | . | | | trans | -80.9 | 83.1 | 168.4 | -85.3 | -85.9 | 0 | 0 | 0 | 111 | G56 I60 | G56-H58 PolarHBondContact O-N 2.9Å; H58-I60 VanDerWaalsContact C-N 3.3Å; H58-I60 PolarHBondContact O-N 3.04Å |
| 59 | I | 39.2 | Very low | 37.7 | Very low | 106 Ų | 106 | 109.9 Ų | 109.9 | 54% | 0.544 | 56% | 0.555 | S | S | . | * | | | trans | -70 | 87.7 | 170.8 | -55.1 | 177.9 | 0 | 0 | 0 | 108.9 | F49 Q57 Q61 | F49-I59 HydrophobicContact CD1-CG2 4.17Å; Q57-I59 PolarHBondContact O-N 3.12Å; Q57-I59 VanDerWaalsContact O-N 3.12Å; I59-Q61 PolarHBondContact O-N 3.25Å; I59-Q61 VanDerWaalsContact O-N 3.07Å |
| 60 | I | 41.2 | Very low | 37.5 | Very low | 80 Ų | 80 | 112 Ų | 112 | 41% | 0.41 | 57% | 0.565 | S | S | . | * | | | trans | -79 | 88.3 | 173.5 | -57.2 | 178.1 | 0 | 0 | 0 | 108.6 | I50 H58 K62 | I50-I60 HydrophobicContact CD1-CB 4.34Å; I50-I60 HydrophobicContact CD1-CD1 4.43Å; H58-I60 VanDerWaalsContact C-N 3.3Å; H58-I60 PolarHBondContact O-N 3.04Å; I60-K62 HydrophobicContact CG2-CG 4.19Å; I60-K62 PolarHBondContact O-N 2.97Å; I60-K62 VanDerWaalsContact O-N 3.12Å |
| 61 | Q | 39.7 | Very low | 37 | Very low | 125 Ų | 125 | 112.8 Ų | 112.8 | 58% | 0.584 | 58% | 0.577 | S | S | * | * | | | trans | -74.8 | 95.3 | 173.2 | -172.7 | -179.6 | 37 | 0 | 0 | 110.1 | I59 | I59-Q61 PolarHBondContact O-N 3.25Å; I59-Q61 VanDerWaalsContact O-N 3.07Å |
| 62 | K | 40.4 | Very low | 36.8 | Very low | 137 Ų | 137 | 115.3 Ų | 115.3 | 60% | 0.596 | 58% | 0.583 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.4 | 102.6 | 166.1 | -77.7 | -176 | 179 | -178.2 | 0 | 109.4 | I60 | I60-K62 HydrophobicContact CG2-CG 4.19Å; I60-K62 PolarHBondContact O-N 2.97Å; I60-K62 VanDerWaalsContact O-N 3.12Å |
| 63 | Q | 39.4 | Very low | 36.5 | Very low | 118 Ų | 118 | 115 Ų | 115 | 55% | 0.551 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84 | 113.2 | 164.2 | -172.8 | -179.2 | 23.4 | 0 | 0 | 108.5 | | |
| 64 | S | 41 | Very low | 36.3 | Very low | 59 Ų | 59 | 114.4 Ų | 114.4 | 41% | 0.413 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.3 | 132.4 | 163.5 | 69.1 | 0 | 0 | 0 | 0 | 109.9 | S46 | S46-S64 PolarHBondContact N-O 2.91Å; S46-S64 PolarHBondContact O-N 3.22Å; S46-S64 VanDerWaalsContact O-N 3.09Å |
| 65 | Q | 40.9 | Very low | 35.9 | Very low | 111 Ų | 111 | 117.1 Ų | 117.1 | 52% | 0.519 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118 | 92.1 | 174 | -171.5 | 177.2 | 115.2 | 0 | 0 | 108.1 | | |
| 66 | Q | 39.1 | Very low | 35.7 | Very low | 146 Ų | 146 | 112.8 Ų | 112.8 | 68% | 0.682 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.1 | 105.1 | 171.7 | -80.7 | -172.2 | -17.6 | 0 | 0 | 109 | N44 S68 | N44-Q66 PolarHBondContact N-O 2.84Å; N44-Q66 PolarHBondContact O-N 2.99Å; Q66-S68 PolarHBondContact O-N 3.4Å |
| 67 | Q | 38.8 | Very low | 35.5 | Very low | 104 Ų | 104 | 119.3 Ų | 119.3 | 49% | 0.486 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.6 | 85.3 | 173.3 | -172.9 | 180 | 81.6 | 0 | 0 | 109 | Q69 | Q67-Q69 PolarHBondContact O-N 2.83Å |
| 68 | S | 34.3 | Very low | 35.3 | Very low | 50 Ų | 50 | 117 Ų | 117 | 35% | 0.35 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.1 | 106.6 | 178.4 | -159.8 | 0 | 0 | 0 | 0 | 110.5 | Q66 H70 | Q66-S68 PolarHBondContact O-N 3.4Å; S68-H70 PolarHBondContact O-N 2.96Å; S68-H70 PolarHBondContact OG-CD2 2.98Å; S68-H70 PolarHBondContact OG-NE2 3.05Å |
| 69 | Q | 35.7 | Very low | 34.7 | Very low | 141 Ų | 141 | 116.8 Ų | 116.8 | 66% | 0.659 | 59% | 0.59 | S | S | * | * | | | trans | -77.5 | 68.3 | 177.4 | -67.2 | -165.8 | 48.1 | 0 | 0 | 111.8 | Q67 S71 | Q67-Q69 PolarHBondContact O-N 2.83Å; Q69-S71 VanDerWaalsContact C-N 3.29Å; Q69-S71 PolarHBondContact O-N 3.01Å |
| 70 | H | 37.3 | Very low | 34 | Very low | 101 Ų | 101 | 121.1 Ų | 121.1 | 47% | 0.468 | 60% | 0.601 | S | S | . | * | | | trans | -78.4 | 79.2 | 167.9 | -67.5 | -62.8 | 0 | 0 | 0 | 110.6 | S68 Y72 | S68-H70 PolarHBondContact O-N 2.96Å; S68-H70 PolarHBondContact OG-CD2 2.98Å; S68-H70 PolarHBondContact OG-NE2 3.05Å; H70-Y72 HydrophobicContact CB-CD2 4.01Å; H70-Y72 HydrophobicContact CB-CE2 3.53Å; H70-Y72 VanDerWaalsContact O-CD2 3.28Å; H70-Y72 WeakPolarHBondContact O-CD2 3.24Å; H70-Y72 PolarHBondContact O-N 3.29Å |
| 71 | S | 29.5 | Very low | 33.3 | Very low | 77 Ų | 77 | 124.2 Ų | 124.2 | 54% | 0.538 | 61% | 0.614 | S | S | . | * | | | trans | -68.5 | 77.8 | 173.5 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | Q69 S73 | Q69-S71 VanDerWaalsContact C-N 3.29Å; Q69-S71 PolarHBondContact O-N 3.01Å; S71-S73 PolarHBondContact O-N 2.85Å; S71-S73 VanDerWaalsContact O-N 3.07Å |
| 72 | Y | 32.7 | Very low | 32.7 | Very low | 153 Ų | 153 | 122.6 Ų | 122.6 | 60% | 0.6 | 62% | 0.616 | S | S | * | * | | | trans | -69.1 | 99.3 | 169.3 | -66.4 | -72.5 | 0 | 0 | 0 | 109.7 | H70 I74 | H70-Y72 HydrophobicContact CB-CD2 4.01Å; H70-Y72 HydrophobicContact CB-CE2 3.53Å; H70-Y72 VanDerWaalsContact O-CD2 3.28Å; H70-Y72 WeakPolarHBondContact O-CD2 3.24Å; H70-Y72 PolarHBondContact O-N 3.29Å; Y72-I74 VanDerWaalsContact C-N 3.31Å; Y72-I74 PolarHBondContact O-N 3.29Å |
| 73 | S | 28.7 | Very low | 32 | Very low | 110 Ų | 110 | 122 Ų | 122 | 77% | 0.769 | 62% | 0.619 | S | S | * | * | | | trans | -72.3 | 82.3 | 174.5 | 46.1 | 0 | 0 | 0 | 0 | 111 | S71 Q75 | S71-S73 PolarHBondContact O-N 2.85Å; S71-S73 VanDerWaalsContact O-N 3.07Å; S73-Q75 VanDerWaalsContact C-N 3.26Å; S73-Q75 PolarHBondContact O-N 3.26Å |
| 74 | I | 31.1 | Very low | 31.4 | Very low | 124 Ų | 124 | 121.3 Ų | 121.3 | 64% | 0.636 | 62% | 0.619 | S | S | * | * | | | trans | -69.2 | 86.6 | 171.1 | -55.9 | 179.2 | 0 | 0 | 0 | 108.2 | Y72 S76 | Y72-I74 VanDerWaalsContact C-N 3.31Å; Y72-I74 PolarHBondContact O-N 3.29Å; I74-S76 PolarHBondContact O-N 3.31Å |
| 75 | Q | 28.6 | Very low | 30.7 | Very low | 183 Ų | 183 | 127.6 Ų | 127.6 | 86% | 0.855 | 64% | 0.635 | S | S | * | * | | | trans | -65.1 | 106.9 | 174.1 | -171.7 | 175.9 | 23.7 | 0 | 0 | 108.7 | S73 Q77 | S73-Q75 VanDerWaalsContact C-N 3.26Å; S73-Q75 PolarHBondContact O-N 3.26Å; Q75-Q77 PolarHBondContact O-N 3.08Å |
| 76 | S | 27.6 | Very low | 30.2 | Very low | 90 Ų | 90 | 127.7 Ų | 127.7 | 63% | 0.629 | 64% | 0.643 | S | S | * | * | | | trans | -67.5 | 93.5 | -168 | -169.4 | 0 | 0 | 0 | 0 | 113.1 | I74 I78 | I74-S76 PolarHBondContact O-N 3.31Å; S76-I78 VanDerWaalsContact OG-CG1 3.3Å; S76-I78 WeakPolarHBondContact OG-CG1 3.35Å |
| 77 | Q | 30 | Very low | 29.7 | Very low | 174 Ų | 174 | 126.8 Ų | 126.8 | 81% | 0.813 | 64% | 0.643 | S | S | * | * | | | trans | -89.7 | 100.5 | 150.4 | -69.9 | -165.2 | 13.3 | 0 | 0 | 108.2 | Q75 Q79 | Q75-Q77 PolarHBondContact O-N 3.08Å; Q77-Q79 PolarHBondContact O-N 2.98Å |
| 78 | I | 26.3 | Very low | 29.2 | Very low | 121 Ų | 121 | 129 Ų | 129 | 62% | 0.621 | 66% | 0.657 | S | S | * | * | | | trans | -73.1 | 76 | 172 | -50.8 | 179.8 | 0 | 0 | 0 | 108.6 | S76 Y80 | S76-I78 VanDerWaalsContact OG-CG1 3.3Å; S76-I78 WeakPolarHBondContact OG-CG1 3.35Å; I78-Y80 HydrophobicContact CG2-CD2 4.12Å; I78-Y80 HydrophobicContact CG2-CE2 3.83Å |
| 79 | Q | 26.6 | Very low | 29.1 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 67% | 0.668 | 68% | 0.684 | S | S | * | * | | | trans | -81.7 | 114.2 | 163.9 | -169.8 | 178 | 87.6 | 0 | 0 | 107.9 | Q77 Q81 | Q77-Q79 PolarHBondContact O-N 2.98Å; Q79-Q81 VanDerWaalsContact C-N 3.25Å; Q79-Q81 PolarHBondContact O-N 3.07Å; Q79-Q81 VanDerWaalsContact OE1-NE2 3.12Å |
| 80 | Y | 25 | Very low | 28.9 | Very low | 196 Ų | 196 | 134.3 Ų | 134.3 | 77% | 0.769 | 69% | 0.689 | S | S | * | * | | | trans | -69.4 | 74.8 | -176.7 | -74.3 | -99.2 | 0 | 0 | 0 | 112.4 | I78 S82 | I78-Y80 HydrophobicContact CG2-CD2 4.12Å; I78-Y80 HydrophobicContact CG2-CE2 3.83Å; Y80-S82 PolarHBondContact O-N 3.14Å |
| 81 | Q | 27.6 | Very low | 28.6 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 68% | 0.682 | 71% | 0.709 | S | S | * | * | | | trans | -90 | 56.7 | 160.1 | -67.7 | -166.2 | 49 | 0 | 0 | 110 | Q79 L83 | Q79-Q81 VanDerWaalsContact C-N 3.25Å; Q79-Q81 PolarHBondContact O-N 3.07Å; Q79-Q81 VanDerWaalsContact OE1-NE2 3.12Å; Q81-L83 VanDerWaalsContact C-N 3.35Å; Q81-L83 PolarHBondContact O-N 3.17Å |
| 82 | S | 26.3 | Very low | 28.6 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | | | trans | -62.5 | 100.4 | 159.1 | 50.6 | 0 | 0 | 0 | 0 | 107.7 | Y80 N84 | Y80-S82 PolarHBondContact O-N 3.14Å; S82-N84 PolarHBondContact O-N 3.43Å |
| 83 | L | 26.4 | Very low | 28.4 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 65% | 0.654 | 72% | 0.724 | S | S | * | * | | | trans | -66.3 | 72.4 | 177.6 | -77.8 | 165.3 | 0 | 0 | 0 | 110.8 | Q81 Y85 | Q81-L83 VanDerWaalsContact C-N 3.35Å; Q81-L83 PolarHBondContact O-N 3.17Å; L83-Y85 VanDerWaalsContact C-N 3.29Å; L83-Y85 HydrophobicContact CB-CD2 4.01Å; L83-Y85 HydrophobicContact CB-CE2 3.86Å; L83-Y85 HydrophobicContact CD1-CE2 4.39Å; L83-Y85 HydrophobicContact CD2-CE2 4.08Å; L83-Y85 HydrophobicContact CG-CE2 4.34Å; L83-Y85 WeakPolarHBondContact O-CD2 3.43Å; L83-Y85 PolarHBondContact O-N 3.42Å |
| 84 | N | 25.9 | Very low | 28.4 | Very low | 102 Ų | 102 | 139 Ų | 139 | 55% | 0.545 | 72% | 0.722 | S | S | . | * | | | trans | -79.1 | 80.8 | 179.6 | -166.5 | -23.9 | 0 | 0 | 0 | 109.3 | S82 T86 | S82-N84 PolarHBondContact O-N 3.43Å; N84-T86 PolarHBondContact O-N 3.24Å; N84-T86 VanDerWaalsContact OD1-CB 3.28Å; N84-T86 WeakPolarHBondContact OD1-CB 3.46Å; N84-T86 PolarHBondContact OD1-OG1 2.87Å |
| 85 | Y | 26.8 | Very low | 28.4 | Very low | 191 Ų | 191 | 140.2 Ų | 140.2 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 45.6 | 176.4 | -81 | -80.7 | 0 | 0 | 0 | 113.2 | L83 | L83-Y85 VanDerWaalsContact C-N 3.29Å; L83-Y85 HydrophobicContact CB-CD2 4.01Å; L83-Y85 HydrophobicContact CB-CE2 3.86Å; L83-Y85 HydrophobicContact CD1-CE2 4.39Å; L83-Y85 HydrophobicContact CD2-CE2 4.08Å; L83-Y85 HydrophobicContact CG-CE2 4.34Å; L83-Y85 WeakPolarHBondContact O-CD2 3.43Å; L83-Y85 PolarHBondContact O-N 3.42Å |
| 86 | T | 30.3 | Very low | 28.5 | Very low | 113 Ų | 113 | 138 Ų | 138 | 69% | 0.693 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.9 | -10.1 | -174.5 | -24.1 | 0 | 0 | 0 | 0 | 114.7 | N84 | N84-T86 PolarHBondContact O-N 3.24Å; N84-T86 VanDerWaalsContact OD1-CB 3.28Å; N84-T86 WeakPolarHBondContact OD1-CB 3.46Å; N84-T86 PolarHBondContact OD1-OG1 2.87Å |
| 87 | N | 27.8 | Very low | 28.8 | Very low | 128 Ų | 128 | 142 Ų | 142 | 68% | 0.684 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -133.6 | 1.9 | -175.4 | -94.6 | -62.2 | 0 | 0 | 0 | 117 | Q89 | N87-Q89 PolarHBondContact O-N 3.27Š|
| 88 | L | 29.9 | Very low | 28.6 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 5.7 | -178.6 | -79.3 | 167.4 | 0 | 0 | 0 | 115.2 | | |
| 89 | Q | 32 | Very low | 28.9 | Very low | 195 Ų | 195 | 143 Ų | 143 | 91% | 0.911 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -8.2 | -176.7 | -157.9 | 163.2 | 86.9 | 0 | 0 | 114 | N87 | N87-Q89 PolarHBondContact O-N 3.27Š|
| 90 | S | 29.6 | Very low | 29.1 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -99.1 | 1.1 | -177.3 | -166.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 91 | L | 31.4 | Very low | 29.5 | Very low | 170 Ų | 170 | 137.5 Ų | 137.5 | 89% | 0.89 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -123.5 | 35.1 | -179.8 | -155.6 | 70.6 | 0 | 0 | 0 | 112.8 | | |
| 92 | V | 30.1 | Very low | 29.8 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | | | trans | -126.4 | 66.2 | 175.2 | -166.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 93 | N | 29 | Very low | 30 | Very low | 142 Ų | 142 | 142.1 Ų | 142.1 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | | | trans | -125.1 | 78.1 | 167.9 | -170.5 | 29.9 | 0 | 0 | 0 | 110.7 | Q95 | N93-Q95 PolarHBondContact O-N 2.97Š|
| 94 | P | 29.1 | Very low | 30.4 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | trans | -91.1 | 78 | -172.4 | 36.2 | -34.2 | 0 | 0 | 0 | 111.9 | | |
| 95 | Q | 30.6 | Very low | 30.7 | Very low | 150 Ų | 150 | 143 Ų | 143 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | -154.2 | 129.8 | 177.5 | -121.7 | 172.1 | -34.9 | 0 | 0 | 113.6 | N93 | N93-Q95 PolarHBondContact O-N 2.97Š|
| 96 | N | 29.7 | Very low | 31 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | trans | 64.7 | 129.8 | 158.5 | -72.8 | -28.7 | 0 | 0 | 0 | 117.6 | | |
| 97 | Q | 33.9 | Very low | 30.9 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | | | cis | -142.5 | 140.9 | -1.3 | -53.8 | -177 | -84 | 0 | 0 | 110.3 | | |
| 98 | N | 27.2 | Very low | 30.9 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | | | trans | -91.5 | 123.6 | 139 | -82.1 | -26.2 | 0 | 0 | 0 | 105.5 | | |
| 99 | D | 31.7 | Very low | 31 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | | | trans | -178.2 | 164.5 | 130.3 | -100.1 | -31.2 | 0 | 0 | 0 | 111.8 | | |
| 100 | D | 31 | Very low | 30.8 | Very low | 141 Ų | 141 | 137 Ų | 137 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | | | trans | 62.8 | 103.9 | 160.9 | -102.2 | -43.2 | 0 | 0 | 0 | 121.6 | | |
| 101 | S | 32.7 | Very low | 30.9 | Very low | 83 Ų | 83 | 136.9 Ų | 136.9 | 58% | 0.58 | 75% | 0.751 | S | S | * | * | | | | 84.4 | 124.2 | 117.8 | -84.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 102 | Q | 33.4 | Very low | 31.1 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | | | trans | 78.6 | 101.2 | 139.6 | -65.4 | 169.4 | 59.3 | 0 | 0 | 119.4 | | |
| 103 | I | 32.4 | Very low | 31.1 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 82% | 0.815 | 75% | 0.749 | S | S | * | * | | | trans | -67.3 | 139.3 | 148.9 | -56.2 | 163.3 | 0 | 0 | 0 | 108.2 | V105 | I103-V105 HydrophobicContact CG2-CG2 4.46Š|
| 104 | P | 33.9 | Very low | 31.6 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | trans | -127.2 | 140.3 | 130.1 | 35 | -29.1 | 0 | 0 | 0 | 112.6 | | |
| 105 | V | 33.3 | Very low | 32.1 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | | | trans | -78.9 | 129.7 | 161.6 | 175.2 | 0 | 0 | 0 | 0 | 107.6 | I103 | I103-V105 HydrophobicContact CG2-CG2 4.46Š|
| 106 | D | 31.6 | Very low | 32.4 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | | | trans | -154 | -175.3 | 144.6 | -139.9 | -33.1 | 0 | 0 | 0 | 112.2 | | |
| 107 | T | 28.3 | Very low | 32.5 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 60% | 0.595 | 75% | 0.753 | S | S | * | * | | | trans | -136.6 | 156 | -143.4 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 108 | T | 28.8 | Very low | 32.7 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | | | trans | 72.2 | 149.9 | 156.1 | 0.7 | 0 | 0 | 0 | 0 | 120 | | |
| 109 | N | 30.7 | Very low | 33 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | | | trans | 71 | 110 | 144.4 | -70.9 | -26.4 | 0 | 0 | 0 | 122 | | |
| 110 | Q | 28.9 | Very low | 33.2 | Very low | 172 Ų | 172 | 127.6 Ų | 127.6 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | | | | 88.3 | 125.7 | 116.1 | -72.5 | -175.3 | -6.1 | 0 | 0 | 122 | | |
| 111 | S | 30.8 | Very low | 33.5 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | | | trans | 93.7 | 148.3 | 131.4 | -157.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 112 | S | 35.3 | Very low | 33.6 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | 72.7 | 119.5 | 165.7 | -34.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 113 | G | 30.6 | Very low | 33.9 | Very low | 70 Ų | 70 | 128.8 Ų | 128.8 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | | | cis | 126.5 | 102.2 | -12.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 114 | S | 40.4 | Very low | 34 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | | | trans | -167.4 | 124.3 | 160.3 | -76.4 | 0 | 0 | 0 | 0 | 107 | | |
| 115 | Q | 39.3 | Very low | 34.2 | Very low | 179 Ų | 179 | 129.8 Ų | 129.8 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | | | | 65.2 | 130.1 | 67.2 | -63.7 | -175.3 | 71.7 | 0 | 0 | 111.1 | | |
| 116 | I | 36.6 | Very low | 34.6 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | | | cis | -150.3 | 156.7 | 24.6 | -66 | -179.8 | 0 | 0 | 0 | 107.7 | | |
| 117 | S | 32 | Very low | 34.8 | Very low | 88 Ų | 88 | 125.4 Ų | 125.4 | 62% | 0.615 | 76% | 0.756 | S | S | * | * | | | cis | -178.5 | 178.7 | -21.8 | -178 | 0 | 0 | 0 | 0 | 109 | | |
| 118 | N | 37.5 | Very low | 35.1 | Very low | 134 Ų | 134 | 127 Ų | 127 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | | | trans | 80.3 | 120.7 | 165.2 | -46.5 | -15.4 | 0 | 0 | 0 | 115.9 | | |
| 119 | Q | 34.4 | Very low | 35.6 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | | | | 78.1 | 135.1 | 50.1 | -70 | -167.2 | 7.4 | 0 | 0 | 114.4 | | |
| 120 | A | 35.4 | Very low | 36.2 | Very low | 81 Ų | 81 | 129 Ų | 129 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | | | cis | -166.1 | -167.6 | -8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 121 | E | 37.3 | Very low | 36.7 | Very low | 193 Ų | 193 | 126.4 Ų | 126.4 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | | | trans | 87.7 | 122.9 | 158.2 | -52.8 | -172 | 118.5 | 0 | 0 | 120.2 | | |
| 122 | S | 35.3 | Very low | 37.2 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | | | trans | -115.3 | 165.1 | 160.1 | -46.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 123 | P | 39.4 | Very low | 37.5 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | | | | -163.4 | 165.4 | 85.6 | 42.6 | -21.9 | 0 | 0 | 0 | 119.7 | | |
| 124 | S | 34.3 | Very low | 37.8 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | trans | 71.5 | 157.5 | 139.6 | -69.5 | 0 | 0 | 0 | 0 | 124.3 | | |
| 125 | Q | 38.9 | Very low | 37.9 | Very low | 187 Ų | 187 | 130.9 Ų | 130.9 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | | | trans | 83.1 | 138.9 | 167.6 | -61 | -173.6 | -18.3 | 0 | 0 | 118.9 | | |
| 126 | S | 40.3 | Very low | 37.9 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | cis | -176.9 | 136.7 | -38.3 | 41 | 0 | 0 | 0 | 0 | 111.9 | | |
| 127 | G | 37.4 | Very low | 37.7 | Very low | 62 Ų | 62 | 128.1 Ų | 128.1 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | | | trans | 137.5 | 116.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 128 | T | 33.4 | Very low | 37.8 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | | 63.9 | 123.8 | 66.9 | 64.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 129 | D | 39 | Very low | 37.8 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | | | cis | -155.6 | 160.9 | 25.5 | -103.4 | -26.7 | 0 | 0 | 0 | 114.4 | | |
| 130 | I | 43.6 | Very low | 37.9 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | | | trans | 47.3 | 132.3 | 135.9 | -59.5 | 165.6 | 0 | 0 | 0 | 118.8 | | |
| 131 | D | 38.8 | Very low | 38.1 | Very low | 117 Ų | 117 | 134 Ų | 134 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | | | cis | -154.4 | 147.3 | 13.6 | -163.2 | -21.3 | 0 | 0 | 0 | 110.8 | | |
| 132 | P | 41.5 | Very low | 38.2 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | | | trans | -119.3 | 90.9 | 164.6 | 37.3 | -23.5 | 0 | 0 | 0 | 114.2 | | |
| 133 | S | 42 | Very low | 38.3 | Very low | 82 Ų | 82 | 137.1 Ų | 137.1 | 57% | 0.573 | 76% | 0.757 | S | S | * | * | | | trans | -138.8 | 108.9 | 170.5 | 52 | 0 | 0 | 0 | 0 | 110.7 | | |
| 134 | L | 38 | Very low | 38.2 | Very low | 164 Ų | 164 | 136 Ų | 136 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | | | | 86.8 | 138.6 | 90.1 | -82.1 | 161.6 | 0 | 0 | 0 | 113.4 | | |
| 135 | P | 42.3 | Very low | 38.4 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | trans | -89.5 | 150.6 | -169.8 | 35.9 | -35.1 | 0 | 0 | 0 | 113 | | |
| 136 | D | 38.8 | Very low | 38.2 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 89% | 0.893 | 75% | 0.751 | S | S | * | * | | | trans | -136.6 | 170 | 168.2 | -150.9 | -10.8 | 0 | 0 | 0 | 111.5 | | |
| 137 | N | 32.9 | Very low | 38 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 59% | 0.594 | 75% | 0.753 | S | S | * | * | | | trans | -140.7 | 144.2 | -137.6 | -166.6 | 13.6 | 0 | 0 | 0 | 114.6 | | |
| 138 | H | 33.9 | Very low | 38.4 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | | | trans | 68.9 | 157 | 167.1 | -54.9 | -54.3 | 0 | 0 | 0 | 120.8 | | |
| 139 | Q | 36.7 | Very low | 38.4 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | | | trans | 91.6 | 109.3 | 150.8 | -75.6 | -171.2 | 95.8 | 0 | 0 | 122.8 | | |
| 140 | Q | 37.1 | Very low | 38.3 | Very low | 138 Ų | 138 | 146.4 Ų | 146.4 | 65% | 0.645 | 77% | 0.774 | S | S | * | * | | | | 94.6 | 147.8 | 128.9 | -72 | -169.7 | 44 | 0 | 0 | 122.2 | | |
| 141 | Q | 39.1 | Very low | 37.9 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 73% | 0.729 | 77% | 0.773 | S | S | * | * | | | trans | 64.5 | 108.2 | 166.1 | -65.7 | 156 | 55.3 | 0 | 0 | 115.3 | | |
| 142 | Q | 39 | Very low | 37.8 | Very low | 182 Ų | 182 | 147 Ų | 147 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | | | | 61.1 | 104.6 | 52.8 | -63.3 | -166.7 | 52.3 | 0 | 0 | 115.8 | | |
| 143 | Q | 36.9 | Very low | 37.4 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | | | trans | 179.7 | 152.3 | 131 | -102.4 | 164.8 | 60.6 | 0 | 0 | 113.6 | | |
| 144 | A | 37.6 | Very low | 37.1 | Very low | 92 Ų | 92 | 149 Ų | 149 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | | | trans | 63.6 | 154.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 145 | T | 38.4 | Very low | 37.1 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | | | cis | -134.2 | 150.9 | 10.7 | -55.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 146 | E | 36 | Very low | 36.6 | Very low | 166 Ų | 166 | 151.7 Ų | 151.7 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 155.7 | -166.8 | -63.1 | 110.8 | 102.8 | 0 | 0 | 121.7 | | |
| 147 | L | 35.2 | Very low | 36.4 | Very low | 166 Ų | 166 | 149.9 Ų | 149.9 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 136.3 | 149.2 | -84.9 | 157.9 | 0 | 0 | 0 | 109.8 | | |
| 148 | P | 46.4 | Very low | 36.7 | Very low | 124 Ų | 124 | 154.2 Ų | 154.2 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 125 | 169.7 | 31.3 | -31.5 | 0 | 0 | 0 | 112.1 | | |
| 149 | Q | 34.3 | Very low | 36.8 | Very low | 191 Ų | 191 | 152.3 Ų | 152.3 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | | | trans | -112.7 | 100.9 | 161.6 | -85.3 | -168.2 | -29.6 | 0 | 0 | 109.3 | | |
| 150 | E | 36.4 | Very low | 36.8 | Very low | 187 Ų | 187 | 152.2 Ų | 152.2 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | -158.7 | 138.5 | 168.6 | -105.1 | 173.8 | 146.7 | 0 | 0 | 107.1 | | |
| 151 | S | 35.9 | Very low | 37 | Very low | 106 Ų | 106 | 154.9 Ų | 154.9 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | | | cis | -141.6 | 154 | 4.7 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 152 | Q | 36.1 | Very low | 36.7 | Very low | 172 Ų | 172 | 155.8 Ų | 155.8 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -82.4 | 166.2 | 159.8 | -74.3 | -175.7 | -114.1 | 0 | 0 | 111.3 | | |
| 153 | D | 31.9 | Very low | 36.6 | Very low | 141 Ų | 141 | 152 Ų | 152 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | | | trans | 49.4 | 98 | 158.7 | -72.9 | -65.2 | 0 | 0 | 0 | 118.5 | | |
| 154 | S | 35.6 | Very low | 36.4 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | -152.7 | 106.4 | 147.9 | -85.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 155 | Q | 39.2 | Very low | 36.2 | Very low | 169 Ų | 169 | 151 Ų | 151 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | 61.3 | 111.2 | 146.1 | -60.2 | -165.4 | 107.8 | 0 | 0 | 116.8 | | |
| 156 | Q | 31.6 | Very low | 36 | Very low | 172 Ų | 172 | 152.7 Ų | 152.7 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | cis | 34.6 | 111.1 | 42.6 | -81.5 | -154.2 | 36.8 | 0 | 0 | 113.8 | | |
| 157 | Q | 34.3 | Very low | 35.8 | Very low | 128 Ų | 128 | 150 Ų | 150 | 60% | 0.598 | 77% | 0.768 | S | S | * | * | | | trans | 87.8 | 64.9 | 173.4 | -49.2 | -179.2 | 50.1 | 0 | 0 | 117.7 | Q159 | Q157-Q159 HydrophobicContact CB-CB 4.24Å; Q157-Q159 HydrophobicContact CB-CG 3.96Å; Q157-Q159 HydrophobicContact CG-CG 4.36Å |
| 158 | Q | 38.5 | Very low | 35.6 | Very low | 202 Ų | 202 | 149.1 Ų | 149.1 | 94% | 0.944 | 76% | 0.76 | S | S | * | * | | | | -117.1 | 89.6 | 124 | -69.3 | -177.4 | 60.8 | 0 | 0 | 104.8 | | |
| 159 | Q | 36.6 | Very low | 34.9 | Very low | 115 Ų | 115 | 150.4 Ų | 150.4 | 54% | 0.537 | 76% | 0.76 | S | S | . | * | | | cis | 60.9 | 107 | 43.8 | -101.8 | -143.1 | 69.8 | 0 | 0 | 113 | Q157 | Q157-Q159 HydrophobicContact CB-CB 4.24Å; Q157-Q159 HydrophobicContact CB-CG 3.96Å; Q157-Q159 HydrophobicContact CG-CG 4.36Å |
| 160 | Q | 37.5 | Very low | 34.8 | Very low | 160 Ų | 160 | 149.2 Ų | 149.2 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | 67.9 | 118.1 | 164.5 | -49.2 | -179.8 | 57.8 | 0 | 0 | 114.9 | | |
| 161 | Q | 41 | Very low | 34.7 | Very low | 194 Ų | 194 | 144.8 Ų | 144.8 | 91% | 0.907 | 75% | 0.75 | S | S | * | * | | | cis | -137.9 | 149.7 | 48.7 | -74.5 | 149.5 | 85.8 | 0 | 0 | 115.2 | | |
| 162 | Q | 33.1 | Very low | 34.6 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | trans | -92.7 | -168.7 | 165.5 | -115.5 | -174.7 | -14 | 0 | 0 | 109 | | |
| 163 | P | 36.6 | Very low | 34.6 | Very low | 104 Ų | 104 | 144.3 Ų | 144.3 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | | | cis | -135.6 | 164.4 | -3 | 19.8 | 6.3 | 0 | 0 | 0 | 117.6 | | |
| 164 | T | 31.7 | Very low | 34.6 | Very low | 99 Ų | 99 | 143 Ų | 143 | 61% | 0.607 | 75% | 0.752 | S | S | * | * | | | | 27.5 | 128.6 | 129.4 | -38.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 165 | Q | 34.5 | Very low | 34.4 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 77% | 0.771 | 75% | 0.753 | S | S | * | * | | | | -177.7 | 130.6 | 123.4 | -97.9 | 152.8 | 124.8 | 0 | 0 | 109.3 | | |
| 166 | E | 34.4 | Very low | 34.1 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | | | | 68.1 | 140.5 | 86.8 | -66.5 | -171.5 | 162.2 | 0 | 0 | 113.9 | | |
| 167 | T | 31.5 | Very low | 34.1 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | | | cis | -159.9 | 174.8 | -3.4 | -104.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 168 | Q | 29.9 | Very low | 34 | Very low | 146 Ų | 146 | 144.3 Ų | 144.3 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | | | trans | -45.4 | 153 | 176.1 | -56.8 | 150.6 | -94.8 | 0 | 0 | 116.7 | | |
| 169 | N | 33.3 | Very low | 33.7 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | | | trans | -168.1 | 123.7 | 132.2 | -83.3 | -35.3 | 0 | 0 | 0 | 106.1 | | |
| 170 | E | 31.9 | Very low | 33.4 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | | | | 64.3 | 103.2 | 63.6 | -70.3 | -170.2 | 67.1 | 0 | 0 | 114.5 | | |
| 171 | A | 33.5 | Very low | 33.1 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | | | | 178.3 | 122.6 | 123.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 172 | D | 35 | Very low | 32.7 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | | | trans | 20.3 | 120.2 | 147.3 | -55 | -51.8 | 0 | 0 | 0 | 122.8 | | |
| 173 | S | 34.3 | Very low | 32.4 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | | | | 177.6 | 115.1 | 104.6 | -74.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 174 | P | 32.5 | Very low | 32.1 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | | | trans | -99.7 | -162.1 | 169.2 | 39.4 | -34.1 | 0 | 0 | 0 | 112.7 | | |
| 175 | H | 32.4 | Very low | 31.9 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 78% | 0.782 | 75% | 0.745 | S | S | * | * | | | trans | 71.8 | 135.6 | -177.6 | -88.6 | -125.3 | 0 | 0 | 0 | 115 | | |
| 176 | L | 33.1 | Very low | 31.6 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | | | cis | -137.9 | 150.3 | -5.2 | -76.8 | 126.9 | 0 | 0 | 0 | 107.5 | | |
| 177 | E | 29.8 | Very low | 31.4 | Very low | 164 Ų | 164 | 135.7 Ų | 135.7 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | | | | 41.7 | 131.4 | 80.7 | -61.3 | -163.9 | 109.1 | 0 | 0 | 114.4 | | |
| 178 | L | 33.2 | Very low | 31 | Very low | 146 Ų | 146 | 137.2 Ų | 137.2 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | | | cis | -148.2 | 152.2 | 41.2 | -75.8 | 162.7 | 0 | 0 | 0 | 115.2 | | |
| 179 | S | 31.1 | Very low | 30.8 | Very low | 83 Ų | 83 | 137 Ų | 137 | 58% | 0.58 | 75% | 0.751 | S | S | * | * | | | trans | 50.4 | 109.4 | 142.4 | -57.6 | 0 | 0 | 0 | 0 | 123 | | |
| 180 | P | 31 | Very low | 30.3 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 85% | 0.851 | 75% | 0.746 | S | S | * | * | | | trans | -85.7 | 131.4 | 144.3 | 33.9 | -28.9 | 0 | 0 | 0 | 110.7 | | |
| 181 | Q | 31.4 | Very low | 29.9 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | | | trans | -151.4 | 120.4 | -179.8 | -86.5 | -154.4 | -103.5 | 0 | 0 | 114.7 | | |
| 182 | F | 32.6 | Very low | 29.6 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | | | trans | 53.9 | 143.4 | 142.2 | -65.9 | -90.4 | 0 | 0 | 0 | 120 | | |
| 183 | D | 27.8 | Very low | 29.1 | Very low | 135 Ų | 135 | 134 Ų | 134 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | | | cis | -171.3 | -162.6 | -13.1 | -161 | -12.9 | 0 | 0 | 0 | 107.5 | | |
| 184 | Q | 28.7 | Very low | 28.7 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 67% | 0.668 | 74% | 0.741 | S | S | * | * | | | trans | 77.7 | 74.5 | 165.5 | -61.1 | -178.2 | 24.4 | 0 | 0 | 116.4 | H186 | Q184-H186 PolarHBondContact O-N 3.42Š|
| 185 | S | 27.3 | Very low | 28.5 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | | | trans | -55.5 | 116.8 | 138.7 | 55.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 186 | H | 29.5 | Very low | 28.2 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 75% | 0.75 | 74% | 0.744 | S | S | * | * | | | trans | -126.4 | 121.9 | 163.9 | -86.7 | -57.3 | 0 | 0 | 0 | 110.8 | Q184 | Q184-H186 PolarHBondContact O-N 3.42Š|
| 187 | S | 28.8 | Very low | 27.9 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | trans | -91.2 | 150.2 | 175.9 | 52.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 188 | N | 24.7 | Very low | 27.8 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | | | trans | 64.8 | 137.4 | 165 | -69.9 | -8.8 | 0 | 0 | 0 | 119.9 | | |
| 189 | N | 25.1 | Very low | 27.6 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | | | trans | 73.2 | 111.4 | 149.4 | -64.4 | -9.6 | 0 | 0 | 0 | 120.1 | | |
| 190 | S | 22.7 | Very low | 27.5 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | trans | 84.4 | 114.5 | 132.9 | -56.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 191 | N | 23.8 | Very low | 27.5 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | 48 | 102.8 | 137.7 | -57 | -4.5 | 0 | 0 | 0 | 118.8 | | |
| 192 | S | 26.3 | Very low | 27.3 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | | | | 156.7 | 119.2 | 102.3 | -67.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 193 | I | 25.7 | Very low | 27.2 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | | | | 64 | 130.7 | 125 | -61.5 | 165.2 | 0 | 0 | 0 | 120.9 | | |
| 194 | L | 25 | Very low | 27.1 | Very low | 154 Ų | 154 | 141 Ų | 141 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | | | trans | 70.4 | 152.3 | 168.1 | -101 | 57.9 | 0 | 0 | 0 | 115.8 | | |
| 195 | V | 29 | Very low | 27.2 | Very low | 136 Ų | 136 | 143 Ų | 143 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | cis | -129.7 | 148.8 | 25.9 | 176.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 196 | Q | 26.1 | Very low | 27.2 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | | | trans | -92.3 | 151.8 | 170.9 | -68.9 | 178.2 | -20.4 | 0 | 0 | 113 | | |
| 197 | P | 26.8 | Very low | 27.1 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | -92.4 | 153.6 | 146.3 | 35.1 | -29 | 0 | 0 | 0 | 111.6 | | |
| 198 | Q | 26.7 | Very low | 27.2 | Very low | 174 Ų | 174 | 144.5 Ų | 144.5 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | -106.7 | 149.6 | -174.5 | -57.3 | 169.4 | -96.8 | 0 | 0 | 112.7 | | |
| 199 | S | 29.7 | Very low | 27.3 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | trans | -146 | 138.7 | 144.2 | 58.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 200 | S | 28.3 | Very low | 27.6 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | trans | -152.4 | 117.8 | -172.8 | -55.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 201 | E | 32.7 | Very low | 28 | Very low | 202 Ų | 202 | 145.8 Ų | 145.8 | 94% | 0.944 | 78% | 0.779 | S | S | * | * | | | trans | -132.9 | 112.6 | 163.7 | -70.8 | -163 | 93.4 | 0 | 0 | 109.5 | | |
| 202 | Q | 25.7 | Very low | 28.3 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | -86.9 | 146.2 | 165.9 | -64.3 | 173.3 | -101.6 | 0 | 0 | 108.9 | | |
| 203 | S | 30.8 | Very low | 28.5 | Very low | 130 Ų | 130 | 146.9 Ų | 146.9 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | | | trans | -151.1 | 124.4 | 151.8 | -80.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 204 | Q | 25.2 | Very low | 28.9 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | -148.6 | 73.2 | -165.5 | -167.5 | 166.8 | 33.4 | 0 | 0 | 110.9 | | |
| 205 | E | 30.6 | Very low | 29.2 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | | | trans | -128.8 | 117 | 166.2 | -78.2 | 174.6 | 81.7 | 0 | 0 | 106.3 | | |
| 206 | L | 27.8 | Very low | 29.2 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | | | | 93.7 | 132 | 55.2 | -80.6 | 174.2 | 0 | 0 | 0 | 112.5 | | |
| 207 | Q | 28.2 | Very low | 29.4 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | | | trans | 82.2 | 137.2 | 153.7 | -122.8 | 65.5 | 17.7 | 0 | 0 | 121.7 | | |
| 208 | D | 30.8 | Very low | 29.4 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 64% | 0.642 | 76% | 0.757 | S | S | * | * | | | trans | 73 | 94.3 | 146.1 | -69 | -22.6 | 0 | 0 | 0 | 123 | | |
| 209 | N | 27.3 | Very low | 29.4 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | | | | 97.7 | 133.7 | 111.6 | -74.3 | -40.6 | 0 | 0 | 0 | 122 | | |
| 210 | Q | 29.6 | Very low | 29.2 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | trans | 72 | 139.6 | 148.2 | -70 | 176.6 | -14.4 | 0 | 0 | 118.4 | | |
| 211 | D | 32.1 | Very low | 29.2 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | | | cis | -155.2 | 150.3 | -6.8 | -127.9 | -18.7 | 0 | 0 | 0 | 115.5 | | |
| 212 | Q | 29.9 | Very low | 28.8 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | | | trans | 46.1 | 142.8 | 155.3 | -42 | -153.5 | 1 | 0 | 0 | 124.8 | | |
| 213 | S | 30.8 | Very low | 28.8 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | | | trans | 84.9 | 124.5 | 144.5 | -151.4 | 0 | 0 | 0 | 0 | 118 | | |
| 214 | S | 34.5 | Very low | 28.6 | Very low | 93 Ų | 93 | 142 Ų | 142 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | | | cis | -161.8 | 134.1 | -8.2 | -97.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 215 | Q | 31 | Very low | 28.7 | Very low | 166 Ų | 166 | 141 Ų | 141 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | | | trans | 55.5 | 141 | 147.1 | -54.6 | -162.5 | 118.2 | 0 | 0 | 119.8 | | |
| 216 | Q | 28.6 | Very low | 28.5 | Very low | 143 Ų | 143 | 140.3 Ų | 140.3 | 67% | 0.668 | 72% | 0.72 | S | S | * | * | | | cis | -162.5 | 142.1 | -3.8 | -120.2 | -179.9 | -62.9 | 0 | 0 | 109.4 | | |
| 217 | L | 29.4 | Very low | 28.2 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 67% | 0.665 | 73% | 0.728 | S | S | * | * | | | trans | 57.3 | 113.2 | 156.9 | -52.6 | 172.2 | 0 | 0 | 0 | 117.4 | | |
| 218 | Q | 26.7 | Very low | 27.9 | Very low | 151 Ų | 151 | 141.3 Ų | 141.3 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | | | | 61.1 | 136.5 | 70.5 | -64.6 | 177.3 | -47.8 | 0 | 0 | 113.4 | | |
| 219 | S | 28.7 | Very low | 27.6 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | | | cis | -101 | 147.6 | 18.6 | -52.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 220 | E | 25.2 | Very low | 27.4 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 67% | 0.673 | 74% | 0.74 | S | S | * | * | | | | 44.5 | 120.5 | 78 | -64.6 | 177.4 | 84.3 | 0 | 0 | 112.5 | | |
| 221 | I | 27.1 | Very low | 27.3 | Very low | 148 Ų | 148 | 139 Ų | 139 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | | | | -138.2 | 131.6 | 61.2 | -72.2 | 152.8 | 0 | 0 | 0 | 113.6 | | |
| 222 | Q | 25.2 | Very low | 27 | Very low | 168 Ų | 168 | 142 Ų | 142 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | trans | 26.3 | 113.9 | 146.8 | -56.9 | 161.4 | 47.2 | 0 | 0 | 120.2 | | |
| 223 | Q | 26.3 | Very low | 26.7 | Very low | 185 Ų | 185 | 141.8 Ų | 141.8 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | | | trans | -80.6 | 162.3 | 138.7 | -67.2 | -161.5 | -1.6 | 0 | 0 | 109.6 | | |
| 224 | P | 26.2 | Very low | 26.4 | Very low | 96 Ų | 96 | 143.4 Ų | 143.4 | 62% | 0.623 | 74% | 0.743 | S | S | * | * | | | | -154.3 | 173.6 | 101.2 | 37.5 | -18.3 | 0 | 0 | 0 | 117.4 | | |
| 225 | H | 26.9 | Very low | 25.9 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | | | trans | 76.6 | 120.1 | 162.7 | -53 | -48.8 | 0 | 0 | 0 | 117.9 | | |
| 226 | Q | 25.3 | Very low | 25.5 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | | | | 56.6 | 112.8 | 94.2 | -58.9 | 180 | 125.9 | 0 | 0 | 112.9 | | |
| 227 | L | 21.8 | Very low | 25.3 | Very low | 173 Ų | 173 | 148.5 Ų | 148.5 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | | | cis | 74.9 | 63.3 | 38.2 | -147.5 | 175.8 | 0 | 0 | 0 | 113.7 | | |
| 228 | D | 22.5 | Very low | 25 | Very low | 140 Ų | 140 | 146.5 Ų | 146.5 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | | | trans | -159 | -170.7 | 140.8 | -161.7 | -0.2 | 0 | 0 | 0 | 107.9 | | |
| 229 | L | 25 | Very low | 24.8 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | | | trans | 92.2 | 93.8 | 174.4 | -52.7 | -175.6 | 0 | 0 | 0 | 116.4 | | |
| 230 | S | 23.5 | Very low | 24.4 | Very low | 100 Ų | 100 | 149.8 Ų | 149.8 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | | | trans | -48 | 149 | 168.4 | -50.1 | 0 | 0 | 0 | 0 | 115.1 | Q232 | S230-Q232 PolarHBondContact O-N 2.9Š|
| 231 | P | 26.2 | Very low | 24.2 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | | | trans | -73 | 92.8 | 170.3 | 31.2 | -34 | 0 | 0 | 0 | 110.7 | F233 | P231-F233 HydrophobicContact CB-CD2 4.38Å; P231-F233 HydrophobicContact CB-CE2 4.01Å; P231-F233 HydrophobicContact CG-CE2 4.2Å; P231-F233 WeakPolarHBondContact O-CD2 3.44Å; P231-F233 PolarHBondContact O-N 3.38Å; P231-F233 VanDerWaalsContact O-N 3.07Å |
| 232 | Q | 25.3 | Very low | 23.9 | Very low | 182 Ų | 182 | 146.3 Ų | 146.3 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | | | trans | -76.3 | 89.7 | 168.9 | -174.5 | 171.5 | -13.7 | 0 | 0 | 109.3 | S230 D234 | S230-Q232 PolarHBondContact O-N 2.9Å; Q232-D234 PolarHBondContact O-N 3.31Å |
| 233 | F | 24.7 | Very low | 23.9 | Very low | 162 Ų | 162 | 146.4 Ų | 146.4 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | trans | -61.8 | 113.1 | 173.8 | -72.5 | -88.2 | 0 | 0 | 0 | 110.6 | P231 | P231-F233 HydrophobicContact CB-CD2 4.38Å; P231-F233 HydrophobicContact CB-CE2 4.01Å; P231-F233 HydrophobicContact CG-CE2 4.2Å; P231-F233 WeakPolarHBondContact O-CD2 3.44Å; P231-F233 PolarHBondContact O-N 3.38Å; P231-F233 VanDerWaalsContact O-N 3.07Å |
| 234 | D | 25 | Very low | 23.7 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | trans | -118.5 | 147.5 | 166.9 | -155.5 | -10.3 | 0 | 0 | 0 | 110.2 | Q232 S236 | Q232-D234 PolarHBondContact O-N 3.31Å; D234-S236 PolarHBondContact O-N 3.11Å |
| 235 | Q | 23.6 | Very low | 23.6 | Very low | 192 Ų | 192 | 147.2 Ų | 147.2 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | | | trans | -88.4 | 109 | -156.3 | -61.9 | -176.2 | 13.7 | 0 | 0 | 112.8 | | |
| 236 | S | 23.6 | Very low | 23.4 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | | | trans | -136.7 | 138.8 | 160.9 | 61.4 | 0 | 0 | 0 | 0 | 110.6 | D234 S238 | D234-S236 PolarHBondContact O-N 3.11Å; S236-S238 PolarHBondContact O-N 3.48Å |
| 237 | Q | 23.5 | Very low | 23.3 | Very low | 208 Ų | 208 | 144.9 Ų | 144.9 | 97% | 0.972 | 78% | 0.776 | S | S | * | * | | | trans | -81.7 | 103.4 | -173.8 | -64.7 | -174.2 | 21.8 | 0 | 0 | 111 | | |
| 238 | S | 23.8 | Very low | 23.4 | Very low | 85 Ų | 85 | 143.3 Ų | 143.3 | 59% | 0.594 | 77% | 0.768 | S | S | * | * | | | trans | -123.2 | 143.2 | 156.6 | 71.6 | 0 | 0 | 0 | 0 | 110.1 | S236 | S236-S238 PolarHBondContact O-N 3.48Š|
| 239 | N | 21.4 | Very low | 23.4 | Very low | 157 Ų | 157 | 143.5 Ų | 143.5 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -83.8 | 135.8 | 167.8 | -71.1 | -73.6 | 0 | 0 | 0 | 108.1 | | |
| 240 | I | 20.4 | Very low | 23.4 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 72.1 | 87 | 174.9 | -45.2 | 165.8 | 0 | 0 | 0 | 113.8 | | |
| 241 | S | 20.8 | Very low | 23.3 | Very low | 93 Ų | 93 | 142.1 Ų | 142.1 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | | | trans | -150 | 175.8 | 161.3 | -96.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 242 | D | 22.1 | Very low | 23.4 | Very low | 127 Ų | 127 | 146 Ų | 146 | 68% | 0.679 | 78% | 0.779 | S | S | * | * | | | trans | 72.2 | 49.2 | 166.5 | -55 | -11.7 | 0 | 0 | 0 | 118.4 | | |
| 243 | L | 24 | Very low | 23.3 | Very low | 169 Ų | 169 | 145.5 Ų | 145.5 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | | | trans | -126.7 | 112.8 | 145.3 | -164.9 | 69.7 | 0 | 0 | 0 | 111.2 | | |
| 244 | I | 23.2 | Very low | 23.3 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | -74.9 | 136.1 | -174.2 | -64.1 | 172.9 | 0 | 0 | 0 | 110.8 | V246 | I244-V246 HydrophobicContact CG2-CG2 4.21Å; I244-V246 PolarHBondContact O-N 2.92Å |
| 245 | L | 23 | Very low | 23.2 | Very low | 155 Ų | 155 | 146.8 Ų | 146.8 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | trans | -69.8 | 108.1 | 168.6 | -81.3 | 80.4 | 0 | 0 | 0 | 110.3 | | |
| 246 | V | 23.1 | Very low | 23.4 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 65% | 0.648 | 79% | 0.785 | S | S | * | * | | | trans | -104.5 | 80.4 | 168 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | I244 L248 | I244-V246 HydrophobicContact CG2-CG2 4.21Å; I244-V246 PolarHBondContact O-N 2.92Å; V246-L248 VanDerWaalsContact C-N 3.33Å; V246-L248 HydrophobicContact CG1-CD1 3.71Å; V246-L248 HydrophobicContact CG1-CG 3.81Å; V246-L248 PolarHBondContact O-N 3.3Å |
| 247 | Q | 23 | Very low | 23.8 | Very low | 164 Ų | 164 | 148.7 Ų | 148.7 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | | | trans | -79.5 | 77.4 | -179.4 | -171.2 | 174.6 | -2.1 | 0 | 0 | 111.2 | N249 | Q247-N249 PolarHBondContact O-N 3.34Š|
| 248 | L | 23.4 | Very low | 23.9 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | | | trans | -90 | 102.3 | 176.4 | -75.6 | 170.9 | 0 | 0 | 0 | 111.8 | V246 S250 | V246-L248 VanDerWaalsContact C-N 3.33Å; V246-L248 HydrophobicContact CG1-CD1 3.71Å; V246-L248 HydrophobicContact CG1-CG 3.81Å; V246-L248 PolarHBondContact O-N 3.3Å; L248-S250 PolarHBondContact O-N 2.9Å |
| 249 | N | 22.3 | Very low | 24.2 | Very low | 145 Ų | 145 | 150.9 Ų | 150.9 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | | | trans | -58.2 | 131.9 | 160.4 | -71.8 | -38.5 | 0 | 0 | 0 | 109.4 | Q247 | Q247-N249 PolarHBondContact O-N 3.34Š|
| 250 | S | 24.9 | Very low | 24.4 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | -144.1 | 86.5 | 174.8 | -83.8 | 0 | 0 | 0 | 0 | 111.5 | L248 K252 | L248-S250 PolarHBondContact O-N 2.9Å; S250-K252 PolarHBondContact O-N 3.48Å |
| 251 | S | 22.2 | Very low | 24.8 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | | | trans | -77 | 105.1 | 175.4 | 37.7 | 0 | 0 | 0 | 0 | 112 | | |
| 252 | K | 27.5 | Very low | 25 | Very low | 186 Ų | 186 | 153 Ų | 153 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | | | trans | -139.2 | 115.8 | 161 | -61.3 | -179.1 | -177.1 | 175.9 | 0 | 105.7 | S250 | S250-K252 PolarHBondContact O-N 3.48Š|
| 253 | Q | 23.3 | Very low | 25.2 | Very low | 171 Ų | 171 | 155.2 Ų | 155.2 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | | | cis | 61 | 62.8 | 47.1 | -155.1 | -177.6 | 31.6 | 0 | 0 | 113.4 | | |
| 254 | S | 26.2 | Very low | 25.3 | Very low | 124 Ų | 124 | 152.5 Ų | 152.5 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | | | trans | -91.3 | 127.7 | 157 | -61.6 | 0 | 0 | 0 | 0 | 109 | | |
| 255 | R | 23.2 | Very low | 25.6 | Very low | 208 Ų | 208 | 153.4 Ų | 153.4 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | -140.9 | 92.1 | -176.3 | 176 | -138.3 | -89.7 | 176.2 | -8.1 | 110 | | |
| 256 | E | 26.5 | Very low | 25.8 | Very low | 190 Ų | 190 | 151.3 Ų | 151.3 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | | | trans | -174.5 | 145.8 | 175.6 | -105.3 | 155.7 | -176.4 | 0 | 0 | 105.8 | | |
| 257 | I | 31.4 | Very low | 25.8 | Very low | 151 Ų | 151 | 154.4 Ų | 154.4 | 77% | 0.774 | 80% | 0.801 | S | S | * | * | | | cis | -136.5 | 109 | 1.1 | -46 | 175.4 | 0 | 0 | 0 | 105.4 | | |
| 258 | Q | 26.1 | Very low | 26 | Very low | 175 Ų | 175 | 154.9 Ų | 154.9 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | | 35.8 | 100.9 | 104.4 | -175.3 | 151.5 | -9 | 0 | 0 | 116.8 | | |
| 259 | D | 30.5 | Very low | 26.1 | Very low | 164 Ų | 164 | 156.3 Ų | 156.3 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | | | trans | -149.6 | 131.8 | 142.4 | -120.2 | -25.7 | 0 | 0 | 0 | 111.9 | | |
| 260 | N | 25.4 | Very low | 26.4 | Very low | 140 Ų | 140 | 153.8 Ų | 153.8 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | | | trans | -117.1 | 125.4 | 174.4 | -87.3 | -26.8 | 0 | 0 | 0 | 107.6 | | |
| 261 | Q | 29.4 | Very low | 26.4 | Very low | 186 Ų | 186 | 156 Ų | 156 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | | | | 168.4 | 147.7 | 118.5 | -93.1 | 178 | 40.6 | 0 | 0 | 112.4 | | |
| 262 | D | 24.8 | Very low | 26.4 | Very low | 141 Ų | 141 | 157.4 Ų | 157.4 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | trans | -64 | 139.1 | 164 | -55 | -93.5 | 0 | 0 | 0 | 111.8 | | |
| 263 | Q | 26 | Very low | 26.2 | Very low | 173 Ų | 173 | 155.8 Ų | 155.8 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | | | | 174.5 | 144.3 | 104.3 | -94.5 | 165.4 | 100.4 | 0 | 0 | 113.8 | | |
| 264 | S | 25.7 | Very low | 26.5 | Very low | 112 Ų | 112 | 153.1 Ų | 153.1 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | trans | 54.6 | 122.1 | 151.1 | 58.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 265 | L | 29.4 | Very low | 26.5 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | -46.6 | 154.9 | 146.7 | -100.2 | 78.8 | 0 | 0 | 0 | 111.8 | | |
| 266 | P | 28.2 | Very low | 26.5 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | | | | -153 | 171.9 | 57.7 | 41.8 | -21.5 | 0 | 0 | 0 | 119.7 | | |
| 267 | Q | 23.2 | Very low | 26.4 | Very low | 171 Ų | 171 | 147.3 Ų | 147.3 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | | | trans | 24.8 | 129.3 | 150.6 | -63.6 | -173.1 | 38.3 | 0 | 0 | 121.5 | | |
| 268 | L | 26.5 | Very low | 26.1 | Very low | 175 Ų | 175 | 147.1 Ų | 147.1 | 92% | 0.916 | 76% | 0.756 | S | S | * | * | | | | -146.7 | 153.8 | 128.3 | -105.3 | 169.4 | 0 | 0 | 0 | 110.4 | | |
| 269 | Q | 24.5 | Very low | 25.9 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | | | trans | -143.3 | 174.3 | -172.9 | -122.1 | -178.4 | 1.4 | 0 | 0 | 107.5 | | |
| 270 | P | 29.8 | Very low | 25.8 | Very low | 91 Ų | 91 | 144.3 Ų | 144.3 | 59% | 0.591 | 75% | 0.746 | S | S | * | * | | | cis | -137.8 | -165.7 | -5.5 | 43.3 | -25 | 0 | 0 | 0 | 114.4 | | |
| 271 | E | 24 | Very low | 25.6 | Very low | 156 Ų | 156 | 142 Ų | 142 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | | | trans | 67 | 149.9 | 156.9 | -71.5 | 177.4 | 101.1 | 0 | 0 | 119.3 | | |
| 272 | I | 23.8 | Very low | 25.3 | Very low | 148 Ų | 148 | 138 Ų | 138 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | | | cis | -121.4 | 118.7 | 9.7 | -61.8 | 169.8 | 0 | 0 | 0 | 112.1 | | |
| 273 | Q | 22.9 | Very low | 25.3 | Very low | 153 Ų | 153 | 139.5 Ų | 139.5 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | | | trans | 23.4 | 119.7 | 143.7 | -64.5 | 176.9 | 61.5 | 0 | 0 | 121.5 | | |
| 274 | Q | 28.3 | Very low | 25.2 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 54% | 0.537 | 74% | 0.744 | S | S | . | * | | | | 162.5 | -158.1 | 123 | -59 | -86.5 | -37.1 | 0 | 0 | 115 | H276 | Q274-H276 PolarHBondContact NE2-CD2 3.02Å; Q274-H276 VanDerWaalsContact NE2-CD2 3.26Å; Q274-H276 PolarHBondContact NE2-NE2 3.29Å; Q274-H276 PolarHBondContact OE1-CD2 3.02Å |
| 275 | P | 26 | Very low | 25.1 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | | | trans | -84.7 | 151.1 | -145.4 | 34.8 | -39.4 | 0 | 0 | 0 | 113.3 | | |
| 276 | H | 25.1 | Very low | 24.7 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 61% | 0.611 | 73% | 0.734 | S | S | * | * | | | cis | 73.7 | 130.6 | 39.6 | -66.6 | -9.4 | 0 | 0 | 0 | 113.2 | Q274 | Q274-H276 PolarHBondContact NE2-CD2 3.02Å; Q274-H276 VanDerWaalsContact NE2-CD2 3.26Å; Q274-H276 PolarHBondContact NE2-NE2 3.29Å; Q274-H276 PolarHBondContact OE1-CD2 3.02Å |
| 277 | Q | 24.3 | Very low | 24.4 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 73% | 0.729 | 74% | 0.74 | S | S | * | * | | | cis | -149.5 | 172.2 | -0.9 | -111.1 | 162.6 | 32.4 | 0 | 0 | 107.5 | | |
| 278 | I | 23.7 | Very low | 24.4 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | | | cis | -141.9 | -178.7 | 20.2 | -154.3 | 162.6 | 0 | 0 | 0 | 111.3 | | |
| 279 | D | 22.2 | Very low | 24.2 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 61% | 0.61 | 73% | 0.732 | S | S | * | * | | | trans | -122.5 | 150.1 | 176.3 | -174.7 | 8.5 | 0 | 0 | 0 | 110.5 | S281 | D279-S281 PolarHBondContact OD1-N 3.43Å; D279-S281 PolarHBondContact OD2-OG 2.85Å |
| 280 | L | 27.7 | Very low | 24.1 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 87% | 0.869 | 73% | 0.729 | S | S | * | * | | | trans | -135.6 | 38.4 | 172 | -77.7 | -179.7 | 0 | 0 | 0 | 112.1 | S282 | L280-S282 PolarHBondContact O-N 3.34Š|
| 281 | S | 21.8 | Very low | 23.7 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | | | trans | -63.1 | 95.4 | 167.5 | 67.9 | 0 | 0 | 0 | 0 | 112.3 | D279 | D279-S281 PolarHBondContact OD1-N 3.43Å; D279-S281 PolarHBondContact OD2-OG 2.85Å |
| 282 | S | 23.6 | Very low | 23.7 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | | | trans | -177 | 149.5 | 144.8 | 49.1 | 0 | 0 | 0 | 0 | 111.6 | L280 | L280-S282 PolarHBondContact O-N 3.34Š|
| 283 | Q | 24.3 | Very low | 23.7 | Very low | 172 Ų | 172 | 139.3 Ų | 139.3 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | | | trans | 61.3 | 94.2 | 178.8 | -52.7 | -176.8 | 47.1 | 0 | 0 | 115.1 | | |
| 284 | F | 25.1 | Very low | 23.8 | Very low | 220 Ų | 220 | 140.3 Ų | 140.3 | 97% | 0.965 | 75% | 0.752 | S | S | * | * | | | | -164.8 | 78.8 | 121.8 | -96.1 | -61.4 | 0 | 0 | 0 | 108.7 | | |
| 285 | D | 22.6 | Very low | 23.5 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | | | trans | -83 | 145.6 | 170.2 | -168.6 | -1.2 | 0 | 0 | 0 | 109.2 | | |
| 286 | Q | 22 | Very low | 23.4 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | trans | 40 | 101.1 | 171.7 | -72.9 | 151.9 | 76.9 | 0 | 0 | 118.1 | | |
| 287 | S | 21.3 | Very low | 23.3 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | | | | 175.1 | 162.9 | 101.1 | 48.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 288 | Q | 23.4 | Very low | 23.4 | Very low | 183 Ų | 183 | 144 Ų | 144 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | | | trans | -38.8 | 130.8 | -171.5 | -53.4 | -177.2 | 18.5 | 0 | 0 | 118.1 | | |
| 289 | S | 21.4 | Very low | 23.2 | Very low | 98 Ų | 98 | 144.1 Ų | 144.1 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | | | trans | 41.4 | 107.8 | 145.3 | 62.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 290 | N | 22.6 | Very low | 23.3 | Very low | 137 Ų | 137 | 146.1 Ų | 146.1 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | trans | -164.2 | 104.4 | 134.9 | -102.6 | -49.5 | 0 | 0 | 0 | 113.1 | S292 | N290-S292 PolarHBondContact O-N 3.33Å; N290-S292 PolarHBondContact O-OG 2.89Å; N290-S292 VanDerWaalsContact O-OG 3.08Å |
| 291 | I | 22.5 | Very low | 23.2 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 25.7 | 69.8 | 144.5 | -44.2 | 177.3 | 0 | 0 | 0 | 114.5 | | |
| 292 | S | 23.2 | Very low | 23.4 | Very low | 95 Ų | 95 | 144.2 Ų | 144.2 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | | | trans | -143.4 | -16.1 | 176.4 | -66.3 | 0 | 0 | 0 | 0 | 114.3 | N290 L294 | N290-S292 PolarHBondContact O-N 3.33Å; N290-S292 PolarHBondContact O-OG 2.89Å; N290-S292 VanDerWaalsContact O-OG 3.08Å; S292-L294 PolarHBondContact O-N 3.32Å |
| 293 | D | 24.3 | Very low | 23.5 | Very low | 154 Ų | 154 | 149.6 Ų | 149.6 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | | | trans | -71.7 | 9.8 | -178.9 | -50.8 | -63.6 | 0 | 0 | 0 | 114.7 | I295 | D293-I295 PolarHBondContact O-N 3.48Š|
| 294 | L | 24.1 | Very low | 23.7 | Very low | 175 Ų | 175 | 150 Ų | 150 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | | | trans | -79.1 | 32.8 | 175.3 | -159 | 71.7 | 0 | 0 | 0 | 112.4 | S292 | S292-L294 PolarHBondContact O-N 3.32Š|
| 295 | I | 22.1 | Very low | 23.7 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -137.5 | 122 | 174.4 | -64.1 | -174.7 | 0 | 0 | 0 | 109 | D293 | D293-I295 PolarHBondContact O-N 3.48Š|
| 296 | L | 23.4 | Very low | 24 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 70% | 0.696 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 70.6 | 42 | 163.1 | -66.7 | 168.7 | 0 | 0 | 0 | 120 | Q298 | L296-Q298 VanDerWaalsContact C-N 3.31Š|
| 297 | V | 23.6 | Very low | 24.4 | Very low | 149 Ų | 149 | 148.2 Ų | 148.2 | 90% | 0.903 | 79% | 0.792 | S | S | * | * | | | trans | -100.8 | 45.7 | 142.7 | -163.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 298 | Q | 26.1 | Very low | 24.7 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | | | trans | -113.5 | 33.5 | -179.5 | -157.8 | 178.2 | -6.7 | 0 | 0 | 112.4 | L296 | L296-Q298 VanDerWaalsContact C-N 3.31Š|
| 299 | L | 20.9 | Very low | 25 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | -136.2 | 70.9 | 178.6 | -72.6 | 177.3 | 0 | 0 | 0 | 111.4 | | |
| 300 | N | 24.1 | Very low | 25.4 | Very low | 157 Ų | 157 | 146.2 Ų | 146.2 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | | | trans | -145 | 61.7 | 170.4 | -121.3 | -16.7 | 0 | 0 | 0 | 113.4 | | |
| 301 | S | 24.6 | Very low | 25.7 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | | | trans | -157.5 | 81.2 | 158.7 | -82.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 302 | S | 25.4 | Very low | 26 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 152.2 | 176.3 | 52.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 303 | K | 27.5 | Very low | 26.2 | Very low | 215 Ų | 215 | 144.7 Ų | 144.7 | 94% | 0.935 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.6 | -4.6 | 172.8 | -58.4 | -173.4 | 175.1 | -178.3 | 0 | 120.9 | | |
| 304 | Q | 27.6 | Very low | 26.4 | Very low | 180 Ų | 180 | 145.4 Ų | 145.4 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -127.9 | -0.8 | -177.1 | -137.6 | 172.3 | 1.4 | 0 | 0 | 118.4 | | |
| 305 | S | 26 | Very low | 26.6 | Very low | 88 Ų | 88 | 143 Ų | 143 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -110.7 | 39 | 179 | -170.6 | 0 | 0 | 0 | 0 | 114 | | |
| 306 | R | 27.1 | Very low | 26.8 | Very low | 217 Ų | 217 | 143.5 Ų | 143.5 | 82% | 0.819 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -117.1 | 7.9 | -178.4 | -128.7 | -176.5 | -159.8 | 177.3 | 6.8 | 115.7 | | |
| 307 | E | 30.2 | Very low | 26.9 | Very low | 165 Ų | 165 | 143 Ų | 143 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -116.1 | -1 | 177.8 | -71.4 | 179.7 | 124.8 | 0 | 0 | 113.5 | S311 | E307-S311 PolarHBondContact O-OG 3.11Š|
| 308 | I | 29.1 | Very low | 26.9 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 65% | 0.651 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -110.2 | -17.8 | -173 | -58.2 | -180 | 0 | 0 | 0 | 113 | | |
| 309 | Q | 29.1 | Very low | 26.8 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 66% | 0.659 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -98.3 | -29.8 | 173.8 | -81.2 | -178.1 | -38.7 | 0 | 0 | 114.2 | L312 N313 | Q309-L312 PolarHBondContact O-N 2.94Å; Q309-N313 PolarHBondContact O-ND2 3.05Å |
| 310 | D | 29.1 | Very low | 27 | Very low | 94 Ų | 94 | 143.1 Ų | 143.1 | 50% | 0.503 | 75% | 0.753 | S | S | . | * | G | 310 helix | trans | -78.7 | -21.7 | 177.5 | -70.9 | -50 | 0 | 0 | 0 | 112.9 | L312 | D310-L312 PolarHBondContact O-N 3.27Š|
| 311 | S | 29.4 | Very low | 27.1 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -77.5 | -1.4 | 169.5 | -61.3 | 0 | 0 | 0 | 0 | 114.4 | E307 | E307-S311 PolarHBondContact O-OG 3.11Š|
| 312 | L | 29.9 | Very low | 27.1 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -109.7 | -1 | 175.9 | -82 | 167.8 | 0 | 0 | 0 | 113.8 | Q309 D310 | Q309-L312 PolarHBondContact O-N 2.94Å; D310-L312 PolarHBondContact O-N 3.27Å |
| 313 | N | 26.5 | Very low | 27 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 65% | 0.647 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -128.2 | 6.7 | -171.1 | -82.5 | -67 | 0 | 0 | 0 | 116.2 | Q309 | Q309-N313 PolarHBondContact O-ND2 3.05Š|
| 314 | Q | 29.4 | Very low | 26.9 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -118.9 | 29.6 | -179.5 | -69.2 | -154.4 | 74.9 | 0 | 0 | 115.7 | | |
| 315 | S | 28.4 | Very low | 26.8 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 87% | 0.867 | 74% | 0.738 | S | S | * | * | | | trans | -124.7 | 69.8 | 166.2 | -66 | 0 | 0 | 0 | 0 | 111.4 | | |
| 316 | L | 24.5 | Very low | 26.8 | Very low | 147 Ų | 147 | 144 Ų | 144 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | | | trans | -58.2 | 159 | 157.4 | -108.4 | 65.7 | 0 | 0 | 0 | 110.1 | | |
| 317 | P | 25.5 | Very low | 27 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | | | cis | -131.7 | -179.6 | 38.2 | 40.3 | -23.9 | 0 | 0 | 0 | 116.6 | | |
| 318 | Q | 24.1 | Very low | 26.8 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | | | trans | -60.2 | 139.8 | 177.2 | -52.1 | 167.8 | 15.4 | 0 | 0 | 112.7 | | |
| 319 | L | 24.5 | Very low | 26.8 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | | | trans | -141.8 | 138.3 | 140.5 | -78.8 | -176.6 | 0 | 0 | 0 | 109.2 | | |
| 320 | Q | 24.2 | Very low | 26.7 | Very low | 135 Ų | 135 | 144.6 Ų | 144.6 | 63% | 0.631 | 76% | 0.763 | S | S | * | * | | | trans | -82.5 | 147.9 | 179.2 | -56.4 | 145.2 | -96.4 | 0 | 0 | 110.5 | E322 | Q320-E322 HydrophobicContact CB-CB 4.1Å; Q320-E322 PolarHBondContact NE2-OE2 2.98Å; Q320-E322 PolarHBondContact O-N 3.3Å |
| 321 | P | 26 | Very low | 26.7 | Very low | 131 Ų | 131 | 148.1 Ų | 148.1 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | trans | -77.4 | 56.6 | 154.6 | 35.4 | -33.9 | 0 | 0 | 0 | 109.9 | | |
| 322 | E | 25.7 | Very low | 26.5 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 57% | 0.57 | 78% | 0.778 | S | S | * | * | | | trans | -75.8 | 130 | 167.6 | -162.4 | 172.3 | 147.7 | 0 | 0 | 108.1 | Q320 Q324 | Q320-E322 HydrophobicContact CB-CB 4.1Å; Q320-E322 PolarHBondContact NE2-OE2 2.98Å; Q320-E322 PolarHBondContact O-N 3.3Å; E322-Q324 PolarHBondContact O-N 3.19Å |
| 323 | I | 23.7 | Very low | 26.4 | Very low | 169 Ų | 169 | 145.5 Ų | 145.5 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -80.4 | 76.5 | -156.1 | -51 | 170.6 | 0 | 0 | 0 | 111.3 | | |
| 324 | Q | 24.3 | Very low | 26.7 | Very low | 157 Ų | 157 | 148.4 Ų | 148.4 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | -142.6 | 102.8 | -179.5 | -95.3 | 162.9 | 108.4 | 0 | 0 | 113.8 | E322 | E322-Q324 PolarHBondContact O-N 3.19Š|
| 325 | Q | 25.4 | Very low | 26.7 | Very low | 174 Ų | 174 | 151 Ų | 151 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | trans | 30.6 | 141.5 | 156.8 | -56.7 | -158.7 | 13.4 | 0 | 0 | 122.9 | | |
| 326 | P | 26.9 | Very low | 26.7 | Very low | 124 Ų | 124 | 151.8 Ų | 151.8 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | | | trans | -81.6 | 132.2 | 178.9 | 33.8 | -34.2 | 0 | 0 | 0 | 113.2 | | |
| 327 | H | 31.4 | Very low | 26.8 | Very low | 179 Ų | 179 | 152.4 Ų | 152.4 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | | | trans | -113.9 | 142.3 | 161.9 | -78.7 | -68.2 | 0 | 0 | 0 | 110.9 | | |
| 328 | Q | 26.3 | Very low | 26.9 | Very low | 195 Ų | 195 | 152.1 Ų | 152.1 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | | | trans | -76.6 | 142.5 | -173.4 | -60.4 | 168.4 | 2.1 | 0 | 0 | 111.3 | | |
| 329 | I | 28.9 | Very low | 27.1 | Very low | 168 Ų | 168 | 152 Ų | 152 | 86% | 0.862 | 79% | 0.788 | S | S | * | * | | | trans | -131.6 | 137.7 | 163.3 | -61.9 | -177.2 | 0 | 0 | 0 | 108 | | |
| 330 | D | 26.7 | Very low | 27.3 | Very low | 121 Ų | 121 | 148.5 Ų | 148.5 | 65% | 0.647 | 78% | 0.778 | S | S | * | * | | | trans | -87 | 149.6 | -174 | -173.5 | 9 | 0 | 0 | 0 | 111.9 | S332 | D330-S332 PolarHBondContact OD1-N 3.38Å; D330-S332 VanDerWaalsContact OD2-CB 3.29Å; D330-S332 WeakPolarHBondContact OD2-CB 3.43Å; D330-S332 PolarHBondContact OD2-OG 3.24Å |
| 331 | L | 29.9 | Very low | 27.4 | Very low | 169 Ų | 169 | 148.8 Ų | 148.8 | 89% | 0.885 | 78% | 0.783 | S | S | * | * | | | trans | -102.2 | 18.9 | -179.5 | -71 | 174.3 | 0 | 0 | 0 | 112.8 | S333 | L331-S333 VanDerWaalsContact C-N 3.25Å; L331-S333 PolarHBondContact O-N 3Å |
| 332 | S | 25.1 | Very low | 27.5 | Very low | 91 Ų | 91 | 148.5 Ų | 148.5 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | trans | -78.5 | 36.6 | -171.5 | 59 | 0 | 0 | 0 | 0 | 116.1 | D330 | D330-S332 PolarHBondContact OD1-N 3.38Å; D330-S332 VanDerWaalsContact OD2-CB 3.29Å; D330-S332 WeakPolarHBondContact OD2-CB 3.43Å; D330-S332 PolarHBondContact OD2-OG 3.24Å |
| 333 | S | 27.2 | Very low | 27.5 | Very low | 98 Ų | 98 | 147.6 Ų | 147.6 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -160.6 | 165.4 | 166.6 | 58.1 | 0 | 0 | 0 | 0 | 114.9 | L331 | L331-S333 VanDerWaalsContact C-N 3.25Å; L331-S333 PolarHBondContact O-N 3Å |
| 334 | Q | 32.1 | Very low | 27.7 | Very low | 183 Ų | 183 | 146.4 Ų | 146.4 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | | | trans | 79.6 | 9.7 | 172.5 | -52.8 | -164.1 | 13 | 0 | 0 | 119.8 | D336 | Q334-D336 VanDerWaalsContact C-N 3.31Å; Q334-D336 PolarHBondContact O-N 3.18Å |
| 335 | F | 30.5 | Very low | 27.8 | Very low | 222 Ų | 222 | 145.5 Ų | 145.5 | 97% | 0.974 | 78% | 0.776 | S | S | * | * | | | trans | -80.1 | 84 | 149.3 | -84.6 | -79.8 | 0 | 0 | 0 | 109.4 | | |
| 336 | D | 27.7 | Very low | 28 | Very low | 141 Ų | 141 | 144 Ų | 144 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | trans | -112.9 | 163.3 | 172.4 | -154.8 | -1.8 | 0 | 0 | 0 | 111.6 | Q334 | Q334-D336 VanDerWaalsContact C-N 3.31Å; Q334-D336 PolarHBondContact O-N 3.18Å |
| 337 | Q | 26.1 | Very low | 28.1 | Very low | 160 Ų | 160 | 145.6 Ų | 145.6 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | -93.7 | 132.1 | -146.4 | -58 | 170.5 | 34.7 | 0 | 0 | 114 | | |
| 338 | S | 29.3 | Very low | 28 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -136.2 | 99.3 | 153.6 | 51.5 | 0 | 0 | 0 | 0 | 110.1 | S340 | S338-S340 PolarHBondContact O-N 3.45Š|
| 339 | Q | 26.8 | Very low | 28 | Very low | 165 Ų | 165 | 142 Ų | 142 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | | | trans | -74.2 | 120 | 173.5 | -63.6 | -175.3 | 14 | 0 | 0 | 109.7 | | |
| 340 | S | 29.7 | Very low | 28.1 | Very low | 98 Ų | 98 | 139.8 Ų | 139.8 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | | | trans | -112.7 | 111.3 | 159.6 | 53.5 | 0 | 0 | 0 | 0 | 109.1 | S338 I342 | S338-S340 PolarHBondContact O-N 3.45Å; S340-I342 PolarHBondContact O-N 3.35Å |
| 341 | N | 25.4 | Very low | 28.2 | Very low | 140 Ų | 140 | 142.7 Ų | 142.7 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | | | trans | -69.4 | 111.7 | 174.4 | -72.1 | -40.8 | 0 | 0 | 0 | 109.2 | | |
| 342 | I | 27.7 | Very low | 28.4 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 64% | 0.641 | 76% | 0.76 | S | S | * | * | | | trans | -126.9 | 75.6 | 167.9 | -52.1 | -178.4 | 0 | 0 | 0 | 107.4 | S340 L345 | S340-I342 PolarHBondContact O-N 3.35Å; I342-L345 HydrophobicContact CG2-CB 4.37Å; I342-L345 HydrophobicContact CG2-CD1 4.25Å |
| 343 | S | 25.7 | Very low | 29 | Very low | 104 Ų | 104 | 141.7 Ų | 141.7 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | -92.1 | -4 | 178.9 | -60.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 344 | D | 28.1 | Very low | 29.2 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | | | trans | -114.5 | 17.3 | -165.1 | -58.8 | -69.6 | 0 | 0 | 0 | 114.5 | I346 | D344-I346 VanDerWaalsContact C-N 3.27Å; D344-I346 PolarHBondContact O-N 3.09Å |
| 345 | L | 27.8 | Very low | 29.1 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | | | trans | -78.6 | 75.2 | -179.4 | -142 | 82.8 | 0 | 0 | 0 | 112 | I342 L347 | I342-L345 HydrophobicContact CG2-CB 4.37Å; I342-L345 HydrophobicContact CG2-CD1 4.25Å; L345-L347 PolarHBondContact O-N 3.37Å |
| 346 | I | 28.8 | Very low | 29.2 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | trans | -61 | 118.9 | 173.3 | -60.9 | 176.3 | 0 | 0 | 0 | 109.3 | D344 V348 | D344-I346 VanDerWaalsContact C-N 3.27Å; D344-I346 PolarHBondContact O-N 3.09Å; I346-V348 VanDerWaalsContact C-N 3.33Å; I346-V348 HydrophobicContact CG2-CG2 4.26Å; I346-V348 PolarHBondContact O-N 3.46Å |
| 347 | L | 28.7 | Very low | 29.2 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | | | trans | -71.9 | 86.4 | 172.5 | -113.2 | 70.1 | 0 | 0 | 0 | 110.3 | L345 Q349 | L345-L347 PolarHBondContact O-N 3.37Å; L347-Q349 PolarHBondContact O-N 3.09Å; L347-Q349 VanDerWaalsContact O-N 3.09Å |
| 348 | V | 28.7 | Very low | 29.7 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 78% | 0.782 | 77% | 0.772 | S | S | * | * | | | trans | -69.2 | 104 | 169.5 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | I346 | I346-V348 VanDerWaalsContact C-N 3.33Å; I346-V348 HydrophobicContact CG2-CG2 4.26Å; I346-V348 PolarHBondContact O-N 3.46Å |
| 349 | Q | 27.2 | Very low | 29.8 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | | | trans | -68.6 | 127.7 | -179.1 | -160.6 | 178.8 | 117.2 | 0 | 0 | 109.8 | L347 Q351 | L347-Q349 PolarHBondContact O-N 3.09Å; L347-Q349 VanDerWaalsContact O-N 3.09Å; Q349-Q351 PolarHBondContact O-N 3.1Å |
| 350 | P | 31.1 | Very low | 30 | Very low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | | | trans | -69.9 | 107 | -179.1 | 27.2 | -33.5 | 0 | 0 | 0 | 110.4 | | |
| 351 | Q | 28.8 | Very low | 30.2 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | | | trans | -72 | 130.6 | 178.7 | -172.5 | 176.1 | -28.9 | 0 | 0 | 110.3 | Q349 | Q349-Q351 PolarHBondContact O-N 3.1Š|
| 352 | P | 34.1 | Very low | 30.6 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | | | trans | -67.7 | 149 | 179.5 | 27.6 | -34.6 | 0 | 0 | 0 | 111.7 | G354 | P352-G354 PolarHBondContact O-N 3.08Š|
| 353 | P | 38.4 | Very low | 30.6 | Very low | 137 Ų | 137 | 143.7 Ų | 143.7 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | | | trans | -65.5 | 115.9 | 175.9 | 27.7 | -33.6 | 0 | 0 | 0 | 109.9 | | |
| 354 | G | 31 | Very low | 30.9 | Very low | 66 Ų | 66 | 146 Ų | 146 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | | | trans | -93.3 | 171.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | P352 | P352-G354 PolarHBondContact O-N 3.08Š|
| 355 | Q | 30.3 | Very low | 31.2 | Very low | 154 Ų | 154 | 145.6 Ų | 145.6 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | trans | 74.8 | 83 | 170.1 | -52 | -164 | 87.9 | 0 | 0 | 117 | | |
| 356 | F | 32 | Very low | 31.2 | Very low | 220 Ų | 220 | 144.7 Ų | 144.7 | 97% | 0.965 | 78% | 0.784 | S | S | * | * | | | | -110.1 | 136.8 | 116 | -85.4 | -87.6 | 0 | 0 | 0 | 108.3 | | |
| 357 | Q | 28.4 | Very low | 31.4 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 71% | 0.71 | 79% | 0.785 | S | S | * | * | | | trans | -113.6 | 107.3 | 178.6 | -72.8 | 176 | -2.3 | 0 | 0 | 108.5 | | |
| 358 | E | 35.3 | Very low | 31.6 | Very low | 200 Ų | 200 | 144.9 Ų | 144.9 | 94% | 0.935 | 79% | 0.787 | S | S | * | * | | | trans | -122.5 | 120.5 | 156 | -69.8 | -172.3 | 122.3 | 0 | 0 | 106.4 | | |
| 359 | S | 31.9 | Very low | 31.9 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | | | trans | -108.2 | 166.3 | 177.9 | -63.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 360 | D | 30.9 | Very low | 32 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | | | trans | 69.8 | 136.3 | -176.8 | -57.2 | -41.2 | 0 | 0 | 0 | 114.5 | | |
| 361 | S | 34.1 | Very low | 32.2 | Very low | 92 Ų | 92 | 142.8 Ų | 142.8 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | | | cis | -155.8 | 163.1 | 3.4 | -137 | 0 | 0 | 0 | 0 | 114.1 | | |
| 362 | Q | 34 | Very low | 32.3 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | | | trans | 61.5 | 90 | 159.5 | -65.6 | 178.4 | 81 | 0 | 0 | 118.7 | L364 | Q362-L364 PolarHBondContact O-N 3.49Š|
| 363 | I | 27 | Very low | 32.3 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | | | trans | -63.8 | 123.9 | 147.7 | -61.9 | 169.2 | 0 | 0 | 0 | 108.3 | | |
| 364 | L | 33.5 | Very low | 31.8 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | | | trans | -131.2 | 91.3 | 166.1 | -164.7 | 69 | 0 | 0 | 0 | 113.7 | Q362 | Q362-L364 PolarHBondContact O-N 3.49Š|
| 365 | N | 33.4 | Very low | 32.1 | Very low | 133 Ų | 133 | 148.7 Ų | 148.7 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | trans | 61.1 | 121.6 | 139.6 | -147.2 | 20 | 0 | 0 | 0 | 120.9 | | |
| 366 | V | 28.6 | Very low | 32.5 | Very low | 120 Ų | 120 | 149.3 Ų | 149.3 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | -59.6 | 153 | 171.5 | -69.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 367 | S | 32.3 | Very low | 32.6 | Very low | 105 Ų | 105 | 147.1 Ų | 147.1 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | | -176.1 | 108.2 | 123.8 | -84 | 0 | 0 | 0 | 0 | 115.6 | | |
| 368 | K | 33 | Very low | 33 | Very low | 198 Ų | 198 | 147.4 Ų | 147.4 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | | | trans | 53.1 | 130.1 | 144.4 | -57.4 | -176.7 | -179.3 | -179.7 | 0 | 121.1 | | |
| 369 | P | 33.8 | Very low | 33 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -85 | 147.9 | 167.6 | 35.9 | -33.7 | 0 | 0 | 0 | 112.1 | | |
| 370 | V | 29.9 | Very low | 33.4 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | | | trans | -164.5 | 143.5 | 166.1 | 107 | 0 | 0 | 0 | 0 | 114.5 | | |
| 371 | V | 36.3 | Very low | 33.8 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | | | trans | 70.4 | 119.5 | 156.5 | 170.9 | 0 | 0 | 0 | 0 | 120.1 | | |
| 372 | E | 30.5 | Very low | 34.1 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | trans | -72.2 | 149 | 157.9 | -58.5 | 160.6 | 111.5 | 0 | 0 | 110.6 | | |
| 373 | S | 33.3 | Very low | 34.2 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | | | trans | -148.7 | 90.8 | 171.7 | -69.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 374 | Y | 29.1 | Very low | 34.7 | Very low | 224 Ų | 224 | 140 Ų | 140 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | | | trans | -72.8 | 128.6 | 162.5 | -71.9 | -88.2 | 0 | 0 | 0 | 109 | | |
| 375 | S | 36.8 | Very low | 34.7 | Very low | 112 Ų | 112 | 139 Ų | 139 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | -141.5 | 72.3 | 178.8 | -174 | 0 | 0 | 0 | 0 | 111.5 | | |
| 376 | E | 39.1 | Very low | 35 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | | | | 45.1 | 113 | 125.5 | -151.1 | 160.9 | 167.7 | 0 | 0 | 119.9 | | |
| 377 | F | 33 | Very low | 35.2 | Very low | 174 Ų | 174 | 142.7 Ų | 142.7 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | | | trans | 33.7 | 132.5 | 157 | -60.4 | -69.7 | 0 | 0 | 0 | 122.5 | | |
| 378 | D | 38.3 | Very low | 35.1 | Very low | 158 Ų | 158 | 142.7 Ų | 142.7 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | | | | -128.5 | 144.7 | 123.7 | -165.2 | 4.2 | 0 | 0 | 0 | 108.7 | | |
| 379 | D | 34.2 | Very low | 35.2 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | trans | -119 | 108 | -162.3 | -142.5 | -15.7 | 0 | 0 | 0 | 109.8 | | |
| 380 | S | 40.2 | Very low | 35 | Very low | 92 Ų | 92 | 142.1 Ų | 142.1 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | | | trans | -149.9 | 92.8 | -177.5 | -83.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 381 | Q | 39.5 | Very low | 35.2 | Very low | 171 Ų | 171 | 139.5 Ų | 139.5 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | | | | 45.1 | 123.6 | 129.4 | -63.5 | 179.9 | 73.6 | 0 | 0 | 117.8 | | |
| 382 | T | 39.7 | Very low | 35.4 | Very low | 134 Ų | 134 | 142.4 Ų | 142.4 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | | | cis | -172.2 | 152 | 21 | 16.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 383 | G | 36.1 | Very low | 35.6 | Very low | 75 Ų | 75 | 143 Ų | 143 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | trans | 146.9 | 63.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 384 | E | 37.6 | Very low | 36 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 66% | 0.659 | 77% | 0.773 | S | S | * | * | | | trans | 44.1 | 101.2 | 153.5 | -64.3 | -110 | 110.5 | 0 | 0 | 120.5 | K386 | E384-K386 VanDerWaalsContact OE1-CE 3.29Å; E384-K386 WeakPolarHBondContact OE1-CE 3.5Å; E384-K386 IonicContact OE1-NZ 2.66Å; E384-K386 PolarHBondContact OE1-NZ 2.9Å; E384-K386 WeakPolarHBondContact OE2-CE 3.29Å; E384-K386 IonicContact OE2-NZ 2.67Å; E384-K386 PolarHBondContact OE2-NZ 2.66Å |
| 385 | P | 33.6 | Very low | 36.3 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 84% | 0.844 | 77% | 0.767 | S | S | * | * | | | trans | -92.4 | 106.2 | 158.4 | 33.3 | -28.8 | 0 | 0 | 0 | 112 | | |
| 386 | K | 39.8 | Very low | 36.3 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | | | trans | -137.9 | 119.5 | 168.6 | -66.2 | 172.8 | -170.9 | 153.3 | 0 | 108.1 | E384 | E384-K386 VanDerWaalsContact OE1-CE 3.29Å; E384-K386 WeakPolarHBondContact OE1-CE 3.5Å; E384-K386 IonicContact OE1-NZ 2.66Å; E384-K386 PolarHBondContact OE1-NZ 2.9Å; E384-K386 WeakPolarHBondContact OE2-CE 3.29Å; E384-K386 IonicContact OE2-NZ 2.67Å; E384-K386 PolarHBondContact OE2-NZ 2.66Å |
| 387 | Q | 32.6 | Very low | 37 | Very low | 188 Ų | 188 | 138 Ų | 138 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | | | | 65.2 | 128.2 | 68.7 | -72 | -163 | -15.4 | 0 | 0 | 115.3 | | |
| 388 | S | 30.8 | Very low | 37.3 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | 94.7 | 152.3 | 151 | -138 | 0 | 0 | 0 | 0 | 120 | | |
| 389 | L | 35 | Very low | 37.3 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | | | trans | 61.3 | 119.2 | -179.7 | -78.7 | 59.6 | 0 | 0 | 0 | 115.3 | | |
| 390 | E | 30.3 | Very low | 37.7 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | | 67.7 | 94.9 | 55.4 | -61.5 | 178.7 | 91.8 | 0 | 0 | 114 | | |
| 391 | A | 33.9 | Very low | 37.5 | Very low | 82 Ų | 82 | 140.9 Ų | 140.9 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | trans | -156.9 | 114.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 392 | Q | 40 | Very low | 37.6 | Very low | 176 Ų | 176 | 141.5 Ų | 141.5 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | | | trans | 64.4 | 93.3 | 134.9 | -64.6 | 170.4 | 76.3 | 0 | 0 | 120 | | |
| 393 | L | 34.7 | Very low | 37.5 | Very low | 181 Ų | 181 | 141.5 Ų | 141.5 | 95% | 0.948 | 78% | 0.781 | S | S | * | * | | | trans | -58 | 122.3 | 142.9 | -69.8 | 151.2 | 0 | 0 | 0 | 111.2 | | |
| 394 | T | 40.9 | Very low | 37.8 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | | | trans | -160.2 | 156.4 | 161.2 | 8.3 | 0 | 0 | 0 | 0 | 110 | | |
| 395 | P | 36.2 | Very low | 37.9 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | | | | -123.4 | 175.8 | -104.6 | 41.3 | -29.7 | 0 | 0 | 0 | 114.8 | | |
| 396 | D | 36.1 | Very low | 38.4 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 130.3 | 168.8 | -76.2 | -52.8 | 0 | 0 | 0 | 112.2 | | |
| 397 | P | 53.8 | Low | 38.8 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 152.8 | 169.9 | 31 | -33.2 | 0 | 0 | 0 | 111.5 | | |
| 398 | P | 39.7 | Very low | 39 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 156.1 | -158 | 33.7 | -37.7 | 0 | 0 | 0 | 115.4 | S400 | P398-S400 PolarHBondContact O-N 2.67Š|
| 399 | L | 37.6 | Very low | 39.4 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 120.5 | 158.3 | -69.3 | 170.1 | 0 | 0 | 0 | 110.3 | | |
| 400 | S | 44.1 | Very low | 39.6 | Very low | 110 Ų | 110 | 147.8 Ų | 147.8 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -135.5 | 123.2 | 169.1 | 57 | 0 | 0 | 0 | 0 | 111.4 | P398 | P398-S400 PolarHBondContact O-N 2.67Š|
| 401 | Y | 35.9 | Very low | 40.1 | Very low | 224 Ų | 224 | 146.3 Ų | 146.3 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | | | trans | -82.7 | 134.4 | -179.9 | -66 | -107.5 | 0 | 0 | 0 | 111 | | |
| 402 | Q | 41.5 | Very low | 40.4 | Very low | 184 Ų | 184 | 149.9 Ų | 149.9 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | -159.9 | 112.4 | 144.2 | -105.4 | 167 | 9.3 | 0 | 0 | 107.2 | | |
| 403 | N | 37.2 | Very low | 40.4 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 72% | 0.717 | 81% | 0.814 | S | S | * | * | | | | 74.9 | 100.6 | 64.4 | -179.1 | 48 | 0 | 0 | 0 | 113.6 | | |
| 404 | S | 42.9 | Very low | 40.8 | Very low | 103 Ų | 103 | 146.3 Ų | 146.3 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | | | | -174 | 140.1 | 116.1 | -76.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 405 | N | 40 | Very low | 40.8 | Very low | 127 Ų | 127 | 148.1 Ų | 148.1 | 68% | 0.679 | 81% | 0.811 | S | S | * | * | | | trans | 1.6 | 122.8 | 163.4 | -54.4 | 4.2 | 0 | 0 | 0 | 119.6 | | |
| 406 | N | 44.4 | Very low | 41.1 | Very low | 171 Ų | 171 | 150.6 Ų | 150.6 | 91% | 0.914 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | | -101.5 | 126.3 | 128.8 | -92.9 | -19.6 | 0 | 0 | 0 | 107.3 | | |
| 407 | N | 46.9 | Very low | 41.5 | Very low | 116 Ų | 116 | 150 Ų | 150 | 62% | 0.62 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 141.8 | 173.4 | -84.8 | 35.3 | 0 | 0 | 0 | 111 | D409 | N407-D409 WeakPolarHBondContact CB-O 3.47Å; N407-D409 PolarHBondContact ND2-O 3.35Å |
| 408 | N | 36.2 | Very low | 40.5 | Very low | 165 Ų | 165 | 153 Ų | 153 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 148.9 | 133.8 | -80.8 | -31 | 0 | 0 | 0 | 106.6 | | |
| 409 | D | 39.2 | Very low | 40.5 | Very low | 221 Ų | 221 | 156.6 Ų | 156.6 | 100% | 1.182 | 83% | 0.827 | S | S | * | * | | | trans | 64.5 | 0 | -163.7 | -62.4 | -34.3 | 0 | 0 | 0 | 115.7 | N407 | N407-D409 WeakPolarHBondContact CB-O 3.47Å; N407-D409 PolarHBondContact ND2-O 3.35Å |