| 1 | N | 86.1 | Confident | 89.7 | Confident | 142 Ų | 142 | 55.5 Ų | 55.5 | 76% | 0.759 | 29% | 0.291 | S | S | * | . | | | | 0 | -91.1 | 0 | -65.7 | 3.8 | 0 | 0 | 0 | 113.1 | T4 R5 | N1-T4 PolarHBondContact N-OG1 3.14Å; N1-T4 VanDerWaalsContact O-CB 3.26Å; N1-T4 WeakPolarHBondContact O-CB 3.09Å; N1-T4 PolarHBondContact O-N 3.48Å; N1-R5 PolarHBondContact O-N 2.59Å |
| 2 | D | 88.4 | Confident | 89.6 | Confident | 89 Ų | 89 | 57.8 Ų | 57.8 | 48% | 0.476 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.3 | -37.4 | -174.1 | -68.4 | -55.4 | 0 | 0 | 0 | 114 | T4 R5 W6 | D2-T4 VanDerWaalsContact C-N 3.34Å; D2-T4 PolarHBondContact O-N 3.44Å; D2-R5 PolarHBondContact O-N 2.96Å; D2-R5 IonicContact OD1-CZ 3.16Å; D2-R5 IonicContact OD1-NE 3.25Å; D2-R5 PolarHBondContact OD1-NE 3.22Å; D2-R5 IonicContact OD1-NH2 2.71Å; D2-R5 PolarHBondContact OD1-NH2 3.26Å; D2-R5 IonicContact OD2-NH2 3.3Å; D2-R5 PolarHBondContact OD2-NH2 3.34Å; D2-W6 PolarHBondContact O-N 3.36Å |
| 3 | Y | 92.3 | Very high | 89.5 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.6 | -48.8 | 166.7 | -176 | -110.9 | 0 | 0 | 0 | 111.6 | R5 W6 C7 Y23 L29 L32 D33 L36 | Y3-R5 PolarHBondContact O-N 2.59Å; Y3-W6 AromaticContact CD2-CE3 3.97Å; Y3-W6 HydrophobicContact CD2-CE3 3.97Å; Y3-W6 HydrophobicContact CD2-CZ3 4.18Å; Y3-W6 AromaticContact CE2-CE3 3.77Å; Y3-W6 HydrophobicContact CE2-CE3 3.77Å; Y3-W6 AromaticContact CE2-CZ3 3.53Å; Y3-W6 HydrophobicContact CE2-CZ3 3.53Å; Y3-W6 CarbonylContact O-C 3.59Å; Y3-W6 WeakPolarHBondContact O-CA 3.4Å; Y3-W6 WeakPolarHBondContact O-CB 3.48Å; Y3-W6 PolarHBondContact O-N 3.43Å; Y3-W6 VanDerWaalsContact O-N 3.09Å; Y3-C7 VanDerWaalsContact CZ-SG 3.52Å; Y3-C7 PolarHBondContact O-N 3.49Å; Y3-C7 PolarHBondContact O-SG 3.08Å; Y3-C7 VanDerWaalsContact O-SG 3.4Å; Y3-Y23 AromaticContact CD2-CD1 3.94Å; Y3-Y23 HydrophobicContact CD2-CD1 3.94Å; Y3-Y23 AromaticContact CD2-CE1 3.89Å; Y3-Y23 HydrophobicContact CD2-CE1 3.89Å; Y3-L29 HydrophobicContact CD1-CB 4.04Å; Y3-L29 HydrophobicContact CD2-CB 3.85Å; Y3-L29 HydrophobicContact CD2-CD1 4.39Å; Y3-L29 HydrophobicContact CE1-CB 4.39Å; Y3-L29 WeakPolarHBondContact CE1-O 3.46Å; Y3-L29 HydrophobicContact CE2-CB 4.2Å; Y3-L29 HydrophobicContact CG-CB 3.79Å; Y3-L29 HydrophobicContact CG-CD1 4.16Å; Y3-L32 HydrophobicContact CD1-CB 4.27Å; Y3-L32 HydrophobicContact CD1-CD1 4.34Å; Y3-L32 HydrophobicContact CE1-CB 4.32Å; Y3-D33 WeakPolarHBondContact CE1-OD1 3.38Å; Y3-D33 PolarHBondContact OH-OD1 2.96Å; Y3-D33 PolarHBondContact OH-OD2 2.87Å; Y3-L36 HydrophobicContact CD1-CD1 3.99Å; Y3-L36 HydrophobicContact CE1-CD1 4.24Å |
| 4 | T | 89.5 | Confident | 89.2 | Confident | 32 Ų | 32 | 59.4 Ų | 59.4 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.7 | -43.5 | 175.3 | -36.5 | 0 | 0 | 0 | 0 | 112.9 | N1 D2 W6 C7 N8 L36 | N1-T4 PolarHBondContact N-OG1 3.14Å; N1-T4 VanDerWaalsContact O-CB 3.26Å; N1-T4 WeakPolarHBondContact O-CB 3.09Å; N1-T4 PolarHBondContact O-N 3.48Å; D2-T4 VanDerWaalsContact C-N 3.34Å; D2-T4 PolarHBondContact O-N 3.44Å; T4-W6 VanDerWaalsContact C-N 3.34Å; T4-C7 PolarHBondContact O-N 3.12Å; T4-N8 WeakPolarHBondContact O-CB 3.29Å; T4-N8 PolarHBondContact O-N 2.82Å; T4-N8 PolarHBondContact O-ND2 2.82Å; T4-L36 HydrophobicContact CG2-CD1 4.18Å; T4-L36 HydrophobicContact CG2-CD2 3.75Å |
| 5 | R | 91.7 | Very high | 89.1 | Confident | 151 Ų | 151 | 66 Ų | 66 | 57% | 0.57 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.3 | -41.5 | 174.6 | -76.1 | -174.1 | -89.9 | -104 | 7.9 | 111.3 | N1 D2 Y3 A9 | N1-R5 PolarHBondContact O-N 2.59Å; D2-R5 PolarHBondContact O-N 2.96Å; D2-R5 IonicContact OD1-CZ 3.16Å; D2-R5 IonicContact OD1-NE 3.25Å; D2-R5 PolarHBondContact OD1-NE 3.22Å; D2-R5 IonicContact OD1-NH2 2.71Å; D2-R5 PolarHBondContact OD1-NH2 3.26Å; D2-R5 IonicContact OD2-NH2 3.3Å; D2-R5 PolarHBondContact OD2-NH2 3.34Å; Y3-R5 PolarHBondContact O-N 2.59Å; R5-A9 WeakPolarHBondContact O-CB 3.3Å; R5-A9 PolarHBondContact O-N 2.85Å |
| 6 | W | 93.3 | Very high | 89.1 | Confident | 26 Ų | 26 | 69.2 Ų | 69.2 | 10% | 0.098 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 175.9 | 171.7 | 82.2 | 0 | 0 | 0 | 112.6 | D2 Y3 T4 A9 D10 R20 L21 Y23 A26 | D2-W6 PolarHBondContact O-N 3.36Å; Y3-W6 AromaticContact CD2-CE3 3.97Å; Y3-W6 HydrophobicContact CD2-CE3 3.97Å; Y3-W6 HydrophobicContact CD2-CZ3 4.18Å; Y3-W6 AromaticContact CE2-CE3 3.77Å; Y3-W6 HydrophobicContact CE2-CE3 3.77Å; Y3-W6 AromaticContact CE2-CZ3 3.53Å; Y3-W6 HydrophobicContact CE2-CZ3 3.53Å; Y3-W6 CarbonylContact O-C 3.59Å; Y3-W6 WeakPolarHBondContact O-CA 3.4Å; Y3-W6 WeakPolarHBondContact O-CB 3.48Å; Y3-W6 PolarHBondContact O-N 3.43Å; Y3-W6 VanDerWaalsContact O-N 3.09Å; T4-W6 VanDerWaalsContact C-N 3.34Å; W6-A9 CarbonylContact O-C 3.56Å; W6-A9 PolarHBondContact O-N 3.42Å; W6-D10 WeakPolarHBondContact O-CB 3.22Å; W6-D10 PolarHBondContact O-N 3.19Å; W6-R20 HydrophobicContact CZ2-CG 4.37Å; W6-L21 VanDerWaalsContact CE2-O 3.27Å; W6-L21 WeakPolarHBondContact CZ2-O 3.47Å; W6-L21 PolarHBondContact NE1-O 3.46Å; W6-Y23 HydrophobicContact CB-CD2 4.04Å; W6-Y23 HydrophobicContact CB-CG 4.4Å; W6-Y23 HydrophobicContact CD2-CG 4.07Å; W6-Y23 HydrophobicContact CE3-CG 4.4Å; W6-Y23 HydrophobicContact CG-CD2 4.04Å; W6-Y23 HydrophobicContact CG-CG 4.06Å; W6-A26 HydrophobicContact CH2-CB 3.69Å; W6-A26 HydrophobicContact CZ2-CB 4.45Å; W6-A26 HydrophobicContact CZ3-CB 4.06Å |
| 7 | C | 89.9 | Confident | 89 | Confident | 11 Ų | 11 | 69.4 Ų | 69.4 | 7% | 0.074 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 176.7 | -68.5 | 0 | 0 | 0 | 0 | 111.9 | Y3 T4 A9 D10 A11 I38 | Y3-C7 VanDerWaalsContact CZ-SG 3.52Å; Y3-C7 PolarHBondContact O-N 3.49Å; Y3-C7 PolarHBondContact O-SG 3.08Å; Y3-C7 VanDerWaalsContact O-SG 3.4Å; T4-C7 PolarHBondContact O-N 3.12Å; C7-A9 VanDerWaalsContact C-N 3.32Å; C7-A9 PolarHBondContact O-N 3.09Å; C7-D10 WeakPolarHBondContact O-CA 3.42Å; C7-D10 WeakPolarHBondContact O-CB 3.29Å; C7-D10 PolarHBondContact O-N 2.65Å; C7-A11 PolarHBondContact O-N 3.22Å; C7-I38 HydrophobicContact CB-CD1 3.6Å |
| 8 | N | 90.1 | Very high | 89 | Confident | 92 Ų | 92 | 72.1 Ų | 72.1 | 49% | 0.492 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 175.2 | -74.9 | -22.4 | 0 | 0 | 0 | 112.2 | T4 D10 N12 | T4-N8 WeakPolarHBondContact O-CB 3.29Å; T4-N8 PolarHBondContact O-N 2.82Å; T4-N8 PolarHBondContact O-ND2 2.82Å; N8-D10 VanDerWaalsContact C-N 3.32Å; N8-N12 PolarHBondContact O-N 3.2Å; N8-N12 PolarHBondContact O-ND2 3.47Å |
| 9 | A | 89.9 | Confident | 88.8 | Confident | 39 Ų | 39 | 80.4 Ų | 80.4 | 32% | 0.322 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.5 | -29.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R5 W6 C7 R13 | R5-A9 WeakPolarHBondContact O-CB 3.3Å; R5-A9 PolarHBondContact O-N 2.85Å; W6-A9 CarbonylContact O-C 3.56Å; W6-A9 PolarHBondContact O-N 3.42Å; C7-A9 VanDerWaalsContact C-N 3.32Å; C7-A9 PolarHBondContact O-N 3.09Å; A9-R13 WeakPolarHBondContact O-CG 3.48Å; A9-R13 PolarHBondContact O-N 3.43Å; A9-R13 PolarHBondContact O-NH1 3.28Å |
| 10 | D | 88.6 | Confident | 88.5 | Confident | 3 Ų | 3 | 81.8 Ų | 81.8 | 2% | 0.016 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -76 | -43.7 | 178.2 | -151.5 | 59.3 | 0 | 0 | 0 | 112.6 | W6 C7 N8 N12 R13 R14 R20 | W6-D10 WeakPolarHBondContact O-CB 3.22Å; W6-D10 PolarHBondContact O-N 3.19Å; C7-D10 WeakPolarHBondContact O-CA 3.42Å; C7-D10 WeakPolarHBondContact O-CB 3.29Å; C7-D10 PolarHBondContact O-N 2.65Å; N8-D10 VanDerWaalsContact C-N 3.32Å; D10-N12 VanDerWaalsContact C-N 3.26Å; D10-N12 PolarHBondContact O-N 2.66Å; D10-R13 VanDerWaalsContact CA-NH2 3.3Å; D10-R13 VanDerWaalsContact CB-NH2 3.29Å; D10-R13 CarbonylContact O-C 3.5Å; D10-R13 WeakPolarHBondContact O-CA 3.15Å; D10-R13 WeakPolarHBondContact O-CB 3.46Å; D10-R13 PolarHBondContact O-N 2.87Å; D10-R13 IonicContact OD1-CZ 3.03Å; D10-R13 VanDerWaalsContact OD1-CZ 3.3Å; D10-R13 IonicContact OD1-NE 2.78Å; D10-R13 PolarHBondContact OD1-NE 2.91Å; D10-R13 IonicContact OD1-NH2 3.95Å; D10-R13 PolarHBondContact OD1-NH2 2.98Å; D10-R14 WeakPolarHBondContact O-CG 3.22Å; D10-R14 PolarHBondContact O-N 2.69Å; D10-R14 IonicContact OD2-CZ 2.66Å; D10-R14 IonicContact OD2-NE 2.7Å; D10-R14 PolarHBondContact OD2-NE 3.03Å; D10-R14 IonicContact OD2-NH2 3.71Å; D10-R14 PolarHBondContact OD2-NH2 3.44Å; D10-R20 WeakPolarHBondContact OD1-CA 3.15Å; D10-R20 WeakPolarHBondContact OD1-CG 3.33Å; D10-R20 WeakPolarHBondContact OD2-CG 3.23Å; D10-R20 IonicContact OD2-NE 2.65Å; D10-R20 PolarHBondContact OD2-NE 3.42Å |
| 11 | A | 87.3 | Confident | 88.4 | Confident | 22 Ų | 22 | 82.9 Ų | 82.9 | 18% | 0.182 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -56.2 | -43.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | C7 R14 R15 | C7-A11 PolarHBondContact O-N 3.22Å; A11-R14 PolarHBondContact O-N 3.15Å; A11-R15 WeakPolarHBondContact O-CD 3.34Å; A11-R15 VanDerWaalsContact O-CG 3.24Å; A11-R15 WeakPolarHBondContact O-CG 3.47Å; A11-R15 PolarHBondContact O-N 3.09Å |
| 12 | N | 87.9 | Confident | 88.3 | Confident | 82 Ų | 82 | 81 Ų | 81 | 44% | 0.439 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68 | -34.3 | 174.2 | -72 | -27 | 0 | 0 | 0 | 113.2 | N8 D10 R15 N16 | N8-N12 PolarHBondContact O-N 3.2Å; N8-N12 PolarHBondContact O-ND2 3.47Å; D10-N12 VanDerWaalsContact C-N 3.26Å; D10-N12 PolarHBondContact O-N 2.66Å; N12-R15 PolarHBondContact OD1-NH1 3.33Å; N12-R15 VanDerWaalsContact OD1-NH1 3.16Å; N12-N16 WeakPolarHBondContact O-CB 3.44Å; N12-N16 PolarHBondContact O-N 3.11Å; N12-N16 VanDerWaalsContact O-N 3.14Å; N12-N16 PolarHBondContact O-ND2 2.78Å; N12-N16 VanDerWaalsContact O-ND2 3.09Å |
| 13 | R | 88.4 | Confident | 88.4 | Confident | 30 Ų | 30 | 79.4 Ų | 79.4 | 11% | 0.113 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 170 | -79.6 | -177.4 | -62.8 | -93.1 | 5.1 | 111.8 | A9 D10 N16 G17 Q18 | A9-R13 WeakPolarHBondContact O-CG 3.48Å; A9-R13 PolarHBondContact O-N 3.43Å; A9-R13 PolarHBondContact O-NH1 3.28Å; D10-R13 VanDerWaalsContact CA-NH2 3.3Å; D10-R13 VanDerWaalsContact CB-NH2 3.29Å; D10-R13 CarbonylContact O-C 3.5Å; D10-R13 WeakPolarHBondContact O-CA 3.15Å; D10-R13 WeakPolarHBondContact O-CB 3.46Å; D10-R13 PolarHBondContact O-N 2.87Å; D10-R13 IonicContact OD1-CZ 3.03Å; D10-R13 VanDerWaalsContact OD1-CZ 3.3Å; D10-R13 IonicContact OD1-NE 2.78Å; D10-R13 PolarHBondContact OD1-NE 2.91Å; D10-R13 IonicContact OD1-NH2 3.95Å; D10-R13 PolarHBondContact OD1-NH2 2.98Å; R13-N16 CarbonylContact O-C 3.35Å; R13-N16 WeakPolarHBondContact O-CA 3.24Å; R13-N16 PolarHBondContact O-N 3.49Å; R13-N16 VanDerWaalsContact O-N 3.07Å; R13-G17 PolarHBondContact O-N 2.89Å; R13-G17 VanDerWaalsContact O-N 3.11Å; R13-Q18 HydrophobicContact CB-CB 3.99Å; R13-Q18 HydrophobicContact CG-CB 4.18Å; R13-Q18 PolarHBondContact O-N 3.43Å |
| 14 | R | 85.8 | Confident | 88.2 | Confident | 109 Ų | 109 | 85.1 Ų | 85.1 | 41% | 0.411 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.8 | -48.8 | 178 | -68.2 | 173.6 | -166.2 | -153.5 | 4.2 | 111.6 | D10 A11 N16 G17 M42 | D10-R14 WeakPolarHBondContact O-CG 3.22Å; D10-R14 PolarHBondContact O-N 2.69Å; D10-R14 IonicContact OD2-CZ 2.66Å; D10-R14 IonicContact OD2-NE 2.7Å; D10-R14 PolarHBondContact OD2-NE 3.03Å; D10-R14 IonicContact OD2-NH2 3.71Å; D10-R14 PolarHBondContact OD2-NH2 3.44Å; A11-R14 PolarHBondContact O-N 3.15Å; R14-N16 PolarHBondContact O-N 3.39Å; R14-G17 PolarHBondContact O-N 3.01Å; R14-M42 PolarHBondContact NH1-SD 3.49Å; R14-M42 VanDerWaalsContact NH1-SD 3.37Å |
| 15 | R | 87.2 | Confident | 88.1 | Confident | 158 Ų | 158 | 87 Ų | 87 | 60% | 0.596 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -58 | -31.1 | 174.5 | -68 | 165.1 | -168.2 | 163.1 | -0.2 | 112.8 | A11 N12 D41 | A11-R15 WeakPolarHBondContact O-CD 3.34Å; A11-R15 VanDerWaalsContact O-CG 3.24Å; A11-R15 WeakPolarHBondContact O-CG 3.47Å; A11-R15 PolarHBondContact O-N 3.09Å; N12-R15 PolarHBondContact OD1-NH1 3.33Å; N12-R15 VanDerWaalsContact OD1-NH1 3.16Å; R15-D41 IonicContact CZ-OD2 3.91Å; R15-D41 IonicContact NE-OD2 2.73Å; R15-D41 IonicContact NH2-OD2 2.69Å; R15-D41 PolarHBondContact NH2-OD2 3.31Å |
| 16 | N | 88.9 | Confident | 87.8 | Confident | 117 Ų | 117 | 80.3 Ų | 80.3 | 63% | 0.626 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 7.2 | 175.9 | -67.1 | -24 | 0 | 0 | 0 | 114.1 | N12 R13 R14 Q18 | N12-N16 WeakPolarHBondContact O-CB 3.44Å; N12-N16 PolarHBondContact O-N 3.11Å; N12-N16 VanDerWaalsContact O-N 3.14Å; N12-N16 PolarHBondContact O-ND2 2.78Å; N12-N16 VanDerWaalsContact O-ND2 3.09Å; R13-N16 CarbonylContact O-C 3.35Å; R13-N16 WeakPolarHBondContact O-CA 3.24Å; R13-N16 PolarHBondContact O-N 3.49Å; R13-N16 VanDerWaalsContact O-N 3.07Å; R14-N16 PolarHBondContact O-N 3.39Å; N16-Q18 HydrophobicContact CB-CG 4.19Å; N16-Q18 PolarHBondContact O-N 2.91Å |
| 17 | G | 88.1 | Confident | 87.4 | Confident | 73 Ų | 73 | 84.5 Ų | 84.5 | 75% | 0.753 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 15.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | R13 R14 | R13-G17 PolarHBondContact O-N 2.89Å; R13-G17 VanDerWaalsContact O-N 3.11Å; R14-G17 PolarHBondContact O-N 3.01Å |
| 18 | Q | 89.4 | Confident | 87.4 | Confident | 117 Ų | 117 | 90.3 Ų | 90.3 | 55% | 0.547 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 146.5 | -178.4 | -63.7 | -178.6 | -6.7 | 0 | 0 | 111.3 | R13 N16 | R13-Q18 HydrophobicContact CB-CB 3.99Å; R13-Q18 HydrophobicContact CG-CB 4.18Å; R13-Q18 PolarHBondContact O-N 3.43Å; N16-Q18 HydrophobicContact CB-CG 4.19Å; N16-Q18 PolarHBondContact O-N 2.91Å |
| 19 | R | 83.8 | Confident | 87.3 | Confident | 230 Ų | 230 | 88.1 Ų | 88.1 | 87% | 0.868 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 144 | 178.6 | -69.1 | -170.9 | 176.1 | -149.5 | 0.4 | 111.6 | L21 | R19-L21 PolarHBondContact O-N 2.84Š|
| 20 | R | 84.5 | Confident | 87.1 | Confident | 109 Ų | 109 | 91.3 Ų | 91.3 | 41% | 0.411 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 131.3 | 169 | -176.8 | 165.4 | -152 | -157.8 | 6.8 | 109.5 | W6 D10 | W6-R20 HydrophobicContact CZ2-CG 4.37Å; D10-R20 WeakPolarHBondContact OD1-CA 3.15Å; D10-R20 WeakPolarHBondContact OD1-CG 3.33Å; D10-R20 WeakPolarHBondContact OD2-CG 3.23Å; D10-R20 IonicContact OD2-NE 2.65Å; D10-R20 PolarHBondContact OD2-NE 3.42Å |
| 21 | L | 84.7 | Confident | 87 | Confident | 104 Ų | 104 | 97.6 Ų | 97.6 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -92.4 | 132 | 170.2 | -64.9 | 178.3 | 0 | 0 | 0 | 107.8 | W6 R19 | W6-L21 VanDerWaalsContact CE2-O 3.27Å; W6-L21 WeakPolarHBondContact CZ2-O 3.47Å; W6-L21 PolarHBondContact NE1-O 3.46Å; R19-L21 PolarHBondContact O-N 2.84Å |
| 22 | A | 84.4 | Confident | 86.9 | Confident | 103 Ų | 103 | 99 Ų | 99 | 85% | 0.851 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 144.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 23 | Y | 89.9 | Confident | 86.7 | Confident | 55 Ų | 55 | 96.5 Ų | 96.5 | 22% | 0.216 | 48% | 0.481 | C | S | . | . | | | trans | -122.5 | 128.9 | 168.8 | 176.4 | -96.1 | 0 | 0 | 0 | 107.3 | Y3 W6 L25 A26 L29 | Y3-Y23 AromaticContact CD2-CD1 3.94Å; Y3-Y23 HydrophobicContact CD2-CD1 3.94Å; Y3-Y23 AromaticContact CD2-CE1 3.89Å; Y3-Y23 HydrophobicContact CD2-CE1 3.89Å; W6-Y23 HydrophobicContact CB-CD2 4.04Å; W6-Y23 HydrophobicContact CB-CG 4.4Å; W6-Y23 HydrophobicContact CD2-CG 4.07Å; W6-Y23 HydrophobicContact CE3-CG 4.4Å; W6-Y23 HydrophobicContact CG-CD2 4.04Å; W6-Y23 HydrophobicContact CG-CG 4.06Å; Y23-L25 VanDerWaalsContact C-N 3.27Å; Y23-L25 HydrophobicContact CD1-CB 4.39Å; Y23-L25 HydrophobicContact CE1-CB 3.92Å; Y23-L25 PolarHBondContact O-N 2.96Å; Y23-L25 VanDerWaalsContact O-N 3.14Å; Y23-A26 HydrophobicContact CD1-CB 4.39Å; Y23-A26 WeakPolarHBondContact O-CB 3.23Å; Y23-A26 PolarHBondContact O-N 2.83Å; Y23-L29 HydrophobicContact CE1-CD1 4.2Å |
| 24 | P | 88.9 | Confident | 86.2 | Confident | 124 Ų | 124 | 105.2 Ų | 105.2 | 81% | 0.805 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -34.1 | -166.1 | -29.3 | 36.3 | 0 | 0 | 0 | 115.3 | | |
| 25 | L | 88.6 | Confident | 85.6 | Confident | 73 Ų | 73 | 106.8 Ų | 106.8 | 38% | 0.382 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 28.6 | -178.9 | -49.3 | 175.6 | 0 | 0 | 0 | 111.7 | Y23 D27 E28 L29 | Y23-L25 VanDerWaalsContact C-N 3.27Å; Y23-L25 HydrophobicContact CD1-CB 4.39Å; Y23-L25 HydrophobicContact CE1-CB 3.92Å; Y23-L25 PolarHBondContact O-N 2.96Å; Y23-L25 VanDerWaalsContact O-N 3.14Å; L25-D27 PolarHBondContact O-N 3.42Å; L25-E28 HydrophobicContact CB-CB 4.38Å; L25-E28 WeakPolarHBondContact CD2-OE1 3.49Å; L25-L29 HydrophobicContact CB-CD1 4.1Å; L25-L29 HydrophobicContact CB-CG 4.17Å; L25-L29 WeakPolarHBondContact O-CB 3.03Å; L25-L29 WeakPolarHBondContact O-CG 2.72Å; L25-L29 PolarHBondContact O-N 3.39Å |
| 26 | A | 84.7 | Confident | 85 | Confident | 10 Ų | 10 | 102 Ų | 102 | 8% | 0.083 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -39.3 | -173 | 0 | 0 | 0 | 0 | 0 | 112.9 | W6 Y23 R30 | W6-A26 HydrophobicContact CH2-CB 3.69Å; W6-A26 HydrophobicContact CZ2-CB 4.45Å; W6-A26 HydrophobicContact CZ3-CB 4.06Å; Y23-A26 HydrophobicContact CD1-CB 4.39Å; Y23-A26 WeakPolarHBondContact O-CB 3.23Å; Y23-A26 PolarHBondContact O-N 2.83Å; A26-R30 WeakPolarHBondContact O-CB 3.4Å; A26-R30 PolarHBondContact O-N 3.01Å |
| 27 | D | 85 | Confident | 83.7 | Confident | 114 Ų | 114 | 103.1 Ų | 103.1 | 61% | 0.61 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -31.5 | 179.9 | -62.2 | -59.2 | 0 | 0 | 0 | 112 | L25 R30 | L25-D27 PolarHBondContact O-N 3.42Å; D27-R30 WeakPolarHBondContact O-CB 3.35Å; D27-R30 WeakPolarHBondContact OD1-CD 3.49Å; D27-R30 IonicContact OD1-CZ 3.03Å; D27-R30 IonicContact OD1-NE 3.61Å; D27-R30 IonicContact OD1-NH1 3.67Å; D27-R30 PolarHBondContact OD1-NH1 3.14Å |
| 28 | E | 89.4 | Confident | 82.5 | Confident | 133 Ų | 133 | 100.9 Ų | 100.9 | 62% | 0.621 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -36 | 173.1 | -69.5 | 176.2 | -132.6 | 0 | 0 | 112.9 | L25 F31 | L25-E28 HydrophobicContact CB-CB 4.38Å; L25-E28 WeakPolarHBondContact CD2-OE1 3.49Å; E28-F31 WeakPolarHBondContact O-CD1 3.2Å; E28-F31 VanDerWaalsContact O-CE1 3.24Å; E28-F31 WeakPolarHBondContact O-CE1 3.22Å |
| 29 | L | 89.1 | Confident | 80.6 | Confident | 45 Ų | 45 | 97.8 Ų | 97.8 | 24% | 0.236 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -98.1 | 2.8 | -178.7 | -62.1 | -178.9 | 0 | 0 | 0 | 113.8 | Y3 Y23 L25 F31 L32 | Y3-L29 HydrophobicContact CD1-CB 4.04Å; Y3-L29 HydrophobicContact CD2-CB 3.85Å; Y3-L29 HydrophobicContact CD2-CD1 4.39Å; Y3-L29 HydrophobicContact CE1-CB 4.39Å; Y3-L29 WeakPolarHBondContact CE1-O 3.46Å; Y3-L29 HydrophobicContact CE2-CB 4.2Å; Y3-L29 HydrophobicContact CG-CB 3.79Å; Y3-L29 HydrophobicContact CG-CD1 4.16Å; Y23-L29 HydrophobicContact CE1-CD1 4.2Å; L25-L29 HydrophobicContact CB-CD1 4.1Å; L25-L29 HydrophobicContact CB-CG 4.17Å; L25-L29 WeakPolarHBondContact O-CB 3.03Å; L25-L29 WeakPolarHBondContact O-CG 2.72Å; L25-L29 PolarHBondContact O-N 3.39Å; L29-F31 HydrophobicContact CD2-CE1 4.17Å; L29-F31 PolarHBondContact O-N 2.88Å; L29-F31 VanDerWaalsContact O-N 3.16Å; L29-L32 HydrophobicContact CB-CD1 4.27Å; L29-L32 HydrophobicContact CD2-CD1 4.29Å; L29-L32 VanDerWaalsContact O-CB 3.26Å; L29-L32 WeakPolarHBondContact O-CB 3.44Å; L29-L32 WeakPolarHBondContact O-CG 3.22Å; L29-L32 PolarHBondContact O-N 3.16Å |
| 30 | R | 84.9 | Confident | 78.9 | Confident | 107 Ų | 107 | 94.2 Ų | 94.2 | 40% | 0.404 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -61.1 | -24.9 | -176.6 | -138.1 | 161.6 | 161.1 | -178.1 | -13.9 | 113.3 | A26 D27 L32 D33 | A26-R30 WeakPolarHBondContact O-CB 3.4Å; A26-R30 PolarHBondContact O-N 3.01Å; D27-R30 WeakPolarHBondContact O-CB 3.35Å; D27-R30 WeakPolarHBondContact OD1-CD 3.49Å; D27-R30 IonicContact OD1-CZ 3.03Å; D27-R30 IonicContact OD1-NE 3.61Å; D27-R30 IonicContact OD1-NH1 3.67Å; D27-R30 PolarHBondContact OD1-NH1 3.14Å; R30-L32 PolarHBondContact O-N 3.1Å; R30-D33 WeakPolarHBondContact CG-OD2 3.49Å; R30-D33 WeakPolarHBondContact O-CB 3.39Å; R30-D33 PolarHBondContact O-N 3.42Å |
| 31 | F | 86 | Confident | 77.1 | Confident | 135 Ų | 135 | 93.8 Ų | 93.8 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -59.5 | -26.7 | 172 | 73 | -89.2 | 0 | 0 | 0 | 113 | E28 L29 D33 | E28-F31 WeakPolarHBondContact O-CD1 3.2Å; E28-F31 VanDerWaalsContact O-CE1 3.24Å; E28-F31 WeakPolarHBondContact O-CE1 3.22Å; L29-F31 HydrophobicContact CD2-CE1 4.17Å; L29-F31 PolarHBondContact O-N 2.88Å; L29-F31 VanDerWaalsContact O-N 3.16Å; F31-D33 VanDerWaalsContact C-N 3.28Å; F31-D33 PolarHBondContact O-N 3.16Å |
| 32 | L | 86 | Confident | 75.4 | Confident | 52 Ų | 52 | 92.5 Ų | 92.5 | 27% | 0.272 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -70.8 | -19.5 | 176.6 | -61.7 | 175.7 | 0 | 0 | 0 | 113 | Y3 L29 R30 R34 H35 L36 | Y3-L32 HydrophobicContact CD1-CB 4.27Å; Y3-L32 HydrophobicContact CD1-CD1 4.34Å; Y3-L32 HydrophobicContact CE1-CB 4.32Å; L29-L32 HydrophobicContact CB-CD1 4.27Å; L29-L32 HydrophobicContact CD2-CD1 4.29Å; L29-L32 VanDerWaalsContact O-CB 3.26Å; L29-L32 WeakPolarHBondContact O-CB 3.44Å; L29-L32 WeakPolarHBondContact O-CG 3.22Å; L29-L32 PolarHBondContact O-N 3.16Å; R30-L32 PolarHBondContact O-N 3.1Å; L32-R34 PolarHBondContact O-N 3.08Å; L32-R34 VanDerWaalsContact O-N 3.16Å; L32-H35 CarbonylContact O-C 3.58Å; L32-H35 WeakPolarHBondContact O-CA 3.34Å; L32-H35 PolarHBondContact O-N 2.99Å; L32-L36 HydrophobicContact CB-CD1 3.95Å; L32-L36 HydrophobicContact CB-CG 4.35Å; L32-L36 WeakPolarHBondContact O-CB 3.42Å; L32-L36 VanDerWaalsContact O-CG 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.48Å; L32-L36 PolarHBondContact O-N 2.87Å |
| 33 | D | 82.9 | Confident | 73.5 | Confident | 28 Ų | 28 | 92.3 Ų | 92.3 | 15% | 0.15 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -59 | -32.4 | -178.4 | -71 | -28.8 | 0 | 0 | 0 | 112.1 | Y3 R30 F31 H35 L36 | Y3-D33 WeakPolarHBondContact CE1-OD1 3.38Å; Y3-D33 PolarHBondContact OH-OD1 2.96Å; Y3-D33 PolarHBondContact OH-OD2 2.87Å; R30-D33 WeakPolarHBondContact CG-OD2 3.49Å; R30-D33 WeakPolarHBondContact O-CB 3.39Å; R30-D33 PolarHBondContact O-N 3.42Å; F31-D33 VanDerWaalsContact C-N 3.28Å; F31-D33 PolarHBondContact O-N 3.16Å; D33-H35 VanDerWaalsContact C-N 3.32Å; D33-H35 PolarHBondContact O-N 3.2Å; D33-L36 PolarHBondContact O-N 3.22Å |
| 34 | R | 77.5 | Confident | 71.2 | Confident | 213 Ų | 213 | 93.8 Ų | 93.8 | 80% | 0.804 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -67.6 | -28 | 174.3 | -171.2 | 177.3 | -176.6 | -174.2 | 0.9 | 113.4 | L32 | L32-R34 PolarHBondContact O-N 3.08Å; L32-R34 VanDerWaalsContact O-N 3.16Å |
| 35 | H | 74.8 | Confident | 69 | Low | 142 Ų | 142 | 95.4 Ų | 95.4 | 66% | 0.657 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -12.4 | -179.5 | -62 | -84 | 0 | 0 | 0 | 113.1 | L32 D33 | L32-H35 CarbonylContact O-C 3.58Å; L32-H35 WeakPolarHBondContact O-CA 3.34Å; L32-H35 PolarHBondContact O-N 2.99Å; D33-H35 VanDerWaalsContact C-N 3.32Å; D33-H35 PolarHBondContact O-N 3.2Å |
| 36 | L | 74.6 | Confident | 66.9 | Low | 58 Ų | 58 | 97.8 Ų | 97.8 | 30% | 0.304 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 5.7 | -178 | -69.5 | 174.2 | 0 | 0 | 0 | 113.5 | Y3 T4 L32 D33 I38 | Y3-L36 HydrophobicContact CD1-CD1 3.99Å; Y3-L36 HydrophobicContact CE1-CD1 4.24Å; T4-L36 HydrophobicContact CG2-CD1 4.18Å; T4-L36 HydrophobicContact CG2-CD2 3.75Å; L32-L36 HydrophobicContact CB-CD1 3.95Å; L32-L36 HydrophobicContact CB-CG 4.35Å; L32-L36 WeakPolarHBondContact O-CB 3.42Å; L32-L36 VanDerWaalsContact O-CG 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.48Å; L32-L36 PolarHBondContact O-N 2.87Å; D33-L36 PolarHBondContact O-N 3.22Å; L36-I38 HydrophobicContact CB-CD1 3.56Å; L36-I38 HydrophobicContact CB-CG1 3.88Å; L36-I38 HydrophobicContact CD1-CD1 3.9Å; L36-I38 HydrophobicContact CG-CD1 4.39Å; L36-I38 PolarHBondContact O-N 2.73Å |
| 37 | N | 61.1 | Low | 64.7 | Low | 140 Ų | 140 | 105 Ų | 105 | 75% | 0.749 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.9 | 32.2 | -176.3 | -62.4 | -20.4 | 0 | 0 | 0 | 113.8 | A39 | N37-A39 VanDerWaalsContact C-N 3.33Š|
| 38 | I | 61.6 | Low | 62.5 | Low | 26 Ų | 26 | 110.8 Ų | 110.8 | 13% | 0.133 | 57% | 0.566 | C | S | . | * | | | trans | -82.7 | -16.3 | 176.3 | -62.3 | 163.1 | 0 | 0 | 0 | 111.1 | C7 L36 D40 D41 M42 | C7-I38 HydrophobicContact CB-CD1 3.6Å; L36-I38 HydrophobicContact CB-CD1 3.56Å; L36-I38 HydrophobicContact CB-CG1 3.88Å; L36-I38 HydrophobicContact CD1-CD1 3.9Å; L36-I38 HydrophobicContact CG-CD1 4.39Å; L36-I38 PolarHBondContact O-N 2.73Å; I38-D40 VanDerWaalsContact C-N 3.3Å; I38-D40 PolarHBondContact O-N 3.14Å; I38-D41 PolarHBondContact O-N 2.84Å; I38-M42 HydrophobicContact CG2-CE 3.78Å; I38-M42 HydrophobicContact CG2-CG 4.43Å |
| 39 | A | 51.2 | Low | 60 | Low | 53 Ų | 53 | 108.9 Ų | 108.9 | 44% | 0.438 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -56.9 | -33.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N37 D41 M42 A43 | N37-A39 VanDerWaalsContact C-N 3.33Å; A39-D41 PolarHBondContact O-N 3.37Å; A39-M42 PolarHBondContact O-N 2.85Å; A39-A43 PolarHBondContact O-N 3.06Å |
| 40 | D | 47.3 | Very low | 57.7 | Low | 154 Ų | 154 | 113.6 Ų | 113.6 | 82% | 0.824 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -69.3 | -17.8 | -175.5 | -66.4 | -23.7 | 0 | 0 | 0 | 113.9 | I38 | I38-D40 VanDerWaalsContact C-N 3.3Å; I38-D40 PolarHBondContact O-N 3.14Å |
| 41 | D | 46.2 | Very low | 55.3 | Low | 100 Ų | 100 | 114 Ų | 114 | 54% | 0.535 | 62% | 0.617 | S | S | . | * | G | 310 helix | trans | -99.8 | 9.7 | 174.1 | -131 | -2.5 | 0 | 0 | 0 | 111.6 | R15 I38 A39 | R15-D41 IonicContact CZ-OD2 3.91Å; R15-D41 IonicContact NE-OD2 2.73Å; R15-D41 IonicContact NH2-OD2 2.69Å; R15-D41 PolarHBondContact NH2-OD2 3.31Å; I38-D41 PolarHBondContact O-N 2.84Å; A39-D41 PolarHBondContact O-N 3.37Å |
| 42 | M | 49.4 | Very low | 53.1 | Low | 77 Ų | 77 | 110.9 Ų | 110.9 | 38% | 0.379 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118.5 | -20 | -179.9 | -63 | -70.5 | 179.1 | 0 | 0 | 114.2 | R14 I38 A39 A44 | R14-M42 PolarHBondContact NH1-SD 3.49Å; R14-M42 VanDerWaalsContact NH1-SD 3.37Å; I38-M42 HydrophobicContact CG2-CE 3.78Å; I38-M42 HydrophobicContact CG2-CG 4.43Å; A39-M42 PolarHBondContact O-N 2.85Å; M42-A44 PolarHBondContact O-N 2.94Å |
| 43 | A | 43.6 | Very low | 50.8 | Low | 99 Ų | 99 | 116.7 Ų | 116.7 | 82% | 0.818 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 29.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | A39 | A39-A43 PolarHBondContact O-N 3.06Š|
| 44 | A | 43.3 | Very low | 48.9 | Very low | 86 Ų | 86 | 124.5 Ų | 124.5 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.9 | -28.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | M42 | M42-A44 PolarHBondContact O-N 2.94Š|
| 45 | D | 42.5 | Very low | 47 | Very low | 159 Ų | 159 | 120.9 Ų | 120.9 | 85% | 0.85 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -154.2 | 67.4 | -171.1 | -88.2 | -53.7 | 0 | 0 | 0 | 112.5 | | |
| 46 | D | 43.8 | Very low | 45.4 | Very low | 122 Ų | 122 | 125.2 Ų | 125.2 | 65% | 0.652 | 68% | 0.683 | S | S | * | * | | | trans | -143.5 | 48 | 168.7 | -148.4 | 3.7 | 0 | 0 | 0 | 114.3 | | |
| 47 | D | 38.8 | Very low | 43.7 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 87% | 0.872 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -123.9 | 1.2 | 168.9 | -119.1 | -32.1 | 0 | 0 | 0 | 112.6 | | |
| 48 | R | 37.5 | Very low | 42.6 | Very low | 235 Ų | 235 | 130.3 Ų | 130.3 | 89% | 0.887 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -153 | 78.7 | -179 | -69.2 | -169.5 | 178.2 | 177.4 | 0.2 | 114.1 | | |
| 49 | S | 37.1 | Very low | 41.6 | Very low | 93 Ų | 93 | 136.2 Ų | 136.2 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | | | trans | -179.3 | 65.3 | 143 | -81.9 | 0 | 0 | 0 | 0 | 114 | | |
| 50 | V | 41.3 | Very low | 40.8 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 87% | 0.873 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -104.2 | 38.4 | 166.6 | -163.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 51 | S | 34.5 | Very low | 40 | Very low | 114 Ų | 114 | 144 Ų | 144 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -167.6 | 44.2 | -174.5 | 54.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 52 | S | 39.4 | Very low | 39.3 | Very low | 71 Ų | 71 | 144.2 Ų | 144.2 | 50% | 0.497 | 77% | 0.77 | S | S | . | * | | | trans | -149.2 | 16.3 | 176.4 | 77.5 | 0 | 0 | 0 | 0 | 119.1 | K54 | S52-K54 PolarHBondContact O-N 3.41Å; S52-K54 VanDerWaalsContact O-N 3.14Å |
| 53 | D | 38.5 | Very low | 38.4 | Very low | 174 Ų | 174 | 150.1 Ų | 150.1 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 47.7 | 178.1 | -152.5 | 28.5 | 0 | 0 | 0 | 112.7 | | |
| 54 | K | 42.9 | Very low | 37.7 | Very low | 192 Ų | 192 | 148.7 Ų | 148.7 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.9 | -19 | -178.8 | -136.3 | 173.4 | -173.7 | 176.9 | 0 | 116 | S52 | S52-K54 PolarHBondContact O-N 3.41Å; S52-K54 VanDerWaalsContact O-N 3.14Å |
| 55 | D | 38.4 | Very low | 37 | Very low | 137 Ų | 137 | 151.6 Ų | 151.6 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -115.3 | 37 | -170 | -62.2 | -64.5 | 0 | 0 | 0 | 113.5 | | |
| 56 | R | 40.5 | Very low | 36.4 | Very low | 232 Ų | 232 | 150 Ų | 150 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -123.4 | 5.4 | -175 | -129.8 | 173.9 | -172.1 | 154.9 | 5.6 | 117.7 | | |
| 57 | D | 39.1 | Very low | 35.8 | Very low | 155 Ų | 155 | 152.2 Ų | 152.2 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -93.4 | -17.5 | 170.7 | -71.8 | -36.2 | 0 | 0 | 0 | 113.4 | N59 | D57-N59 VanDerWaalsContact C-N 3.32Å; D57-N59 PolarHBondContact O-N 3.04Å |
| 58 | N | 37.8 | Very low | 35.3 | Very low | 150 Ų | 150 | 151.6 Ų | 151.6 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -86 | 61.7 | 179.7 | -74.2 | -16.3 | 0 | 0 | 0 | 113.2 | | |
| 59 | N | 40.1 | Very low | 34.7 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | | | trans | -170.3 | 78.6 | 153.6 | -110.6 | -63.3 | 0 | 0 | 0 | 110.6 | D57 | D57-N59 VanDerWaalsContact C-N 3.32Å; D57-N59 PolarHBondContact O-N 3.04Å |
| 60 | R | 35.6 | Very low | 34.3 | Very low | 222 Ų | 222 | 148.8 Ų | 148.8 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | | | trans | -147.9 | 45.4 | 168.8 | -154.1 | 179.5 | -178.1 | 161.3 | 3.6 | 112.3 | S62 | R60-S62 PolarHBondContact O-N 3.48Š|
| 61 | D | 29.6 | Very low | 33.7 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | -57.6 | 132.1 | 171.2 | -63.1 | -39.1 | 0 | 0 | 0 | 109.3 | | |
| 62 | S | 31.1 | Very low | 33.4 | Very low | 105 Ų | 105 | 147 Ų | 147 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | | | trans | -139.9 | 70.6 | 175.2 | -66.3 | 0 | 0 | 0 | 0 | 107.2 | R60 | R60-S62 PolarHBondContact O-N 3.48Š|
| 63 | E | 31.4 | Very low | 32.9 | Very low | 200 Ų | 200 | 152 Ų | 152 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | | | trans | -61.3 | 138.3 | 165 | -66.9 | -151.1 | 136.4 | 0 | 0 | 109.8 | | |
| 64 | G | 28.4 | Very low | 32.4 | Very low | 70 Ų | 70 | 152.2 Ų | 152.2 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | | | trans | 164 | 21 | -173.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 65 | V | 28.6 | Very low | 31.7 | Very low | 146 Ų | 146 | 148.7 Ų | 148.7 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | | | trans | -136.5 | 103.6 | 165.3 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 66 | D | 29.5 | Very low | 31 | Very low | 126 Ų | 126 | 152.1 Ų | 152.1 | 67% | 0.674 | 80% | 0.795 | S | S | * | * | | | trans | -84 | 142.4 | 177.3 | -90.6 | -56.8 | 0 | 0 | 0 | 113 | | |
| 67 | H | 31.3 | Very low | 30.3 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | | | trans | 58.5 | 147.8 | 153.3 | -43.4 | -15.1 | 0 | 0 | 0 | 116.7 | | |
| 68 | H | 27.9 | Very low | 29.9 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | | | cis | -160.6 | 133.6 | 16.6 | -162.9 | -18.5 | 0 | 0 | 0 | 108.1 | Q70 | H68-Q70 VanDerWaalsContact CE1-CG 3.43Å; H68-Q70 WeakPolarHBondContact CE1-CG 3.46Å |
| 69 | A | 26.2 | Very low | 29.5 | Very low | 101 Ų | 101 | 140.8 Ų | 140.8 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | | | trans | -117.4 | 110.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 70 | Q | 28.8 | Very low | 28.9 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -89.5 | 131.7 | 163.9 | -70.7 | -168.6 | -2 | 0 | 0 | 109.4 | H68 | H68-Q70 VanDerWaalsContact CE1-CG 3.43Å; H68-Q70 WeakPolarHBondContact CE1-CG 3.46Å |
| 71 | A | 27.8 | Very low | 29 | Very low | 104 Ų | 104 | 134.2 Ų | 134.2 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | | -172.6 | 141.4 | 124.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 72 | S | 28.7 | Very low | 29.3 | Very low | 117 Ų | 117 | 136 Ų | 136 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -97.2 | 161.5 | 180 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | K74 | S72-K74 PolarHBondContact O-N 3.48Š|
| 73 | L | 29.3 | Very low | 29.2 | Very low | 177 Ų | 177 | 138 Ų | 138 | 93% | 0.927 | 78% | 0.778 | S | S | * | * | | | trans | -60.7 | 117.4 | 175.6 | -81.8 | 156.2 | 0 | 0 | 0 | 113.2 | | |
| 74 | K | 28.3 | Very low | 29 | Very low | 178 Ų | 178 | 134.2 Ų | 134.2 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | | | trans | -162.4 | 151.4 | 150.7 | -91.9 | -162.3 | 163 | -152.2 | 0 | 108.2 | S72 | S72-K74 PolarHBondContact O-N 3.48Š|
| 75 | E | 26.3 | Very low | 29 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 55% | 0.551 | 77% | 0.768 | S | S | * | * | | | cis | -147.8 | 149.2 | 0.5 | -133.3 | -174.6 | 97.9 | 0 | 0 | 111.3 | | |
| 76 | R | 25.1 | Very low | 29 | Very low | 208 Ų | 208 | 138.5 Ų | 138.5 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | 56.9 | 88.7 | 133.4 | -161.1 | -174.2 | -147.7 | 131.3 | -6.1 | 121.6 | | |
| 77 | A | 26 | Very low | 29 | Very low | 89 Ų | 89 | 138.4 Ų | 138.4 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | | 68.6 | 174.7 | 116.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 78 | S | 30.1 | Very low | 28.9 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | | | trans | 71.2 | 140.7 | -178 | 75 | 0 | 0 | 0 | 0 | 116 | | |
| 79 | S | 28.4 | Very low | 28.8 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | | | cis | -170 | 157.3 | -17.4 | 43.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 80 | T | 29 | Very low | 28.8 | Very low | 129 Ų | 129 | 138 Ų | 138 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | trans | 41.9 | 129.2 | 150 | 54.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 81 | S | 36.7 | Very low | 28.6 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | | | cis | -159.9 | 151.2 | 47.3 | 49.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 82 | K | 37 | Very low | 28.6 | Very low | 186 Ų | 186 | 138.7 Ų | 138.7 | 81% | 0.809 | 75% | 0.752 | S | S | * | * | | | | 49 | 134.1 | 73.6 | -80.1 | -171.9 | -180 | -177.2 | 0 | 113.2 | | |
| 83 | L | 29 | Very low | 28.6 | Very low | 147 Ų | 147 | 139 Ų | 139 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | | | cis | -168.3 | 176.6 | -7.1 | -166.3 | 69.7 | 0 | 0 | 0 | 108.7 | | |
| 84 | V | 25.8 | Very low | 28.4 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | trans | 77.6 | 118.3 | 166.1 | -173.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 85 | K | 30 | Very low | 28.3 | Very low | 167 Ų | 167 | 142 Ų | 142 | 73% | 0.726 | 75% | 0.748 | S | S | * | * | | | cis | 91.9 | 127.7 | 39.4 | -86.8 | -171.8 | 155 | -127.5 | 0 | 115 | | |
| 86 | E | 27.6 | Very low | 28.3 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | | | trans | 52.6 | 111.4 | 139.5 | -69.5 | 174 | 116.8 | 0 | 0 | 119.4 | | |
| 87 | V | 29.4 | Very low | 28.5 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | | | | 89.6 | 150.9 | 72.2 | 156.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 88 | K | 28.6 | Very low | 28.4 | Very low | 185 Ų | 185 | 141.9 Ų | 141.9 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | 71.6 | 153.5 | 175.5 | -86.2 | 173.5 | -178.1 | 174.8 | 0 | 114.3 | | |
| 89 | L | 27.6 | Very low | 28.3 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | | | cis | -144.9 | -178.5 | -0.2 | -89.2 | 127.2 | 0 | 0 | 0 | 107.3 | | |
| 90 | A | 26.3 | Very low | 28.4 | Very low | 71 Ų | 71 | 143.7 Ų | 143.7 | 59% | 0.587 | 74% | 0.744 | S | S | * | * | | | cis | 176.6 | -169.4 | -39 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 91 | S | 24.6 | Very low | 28.5 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | | | trans | 58.6 | 115.7 | 154.1 | 50.3 | 0 | 0 | 0 | 0 | 119.5 | | |
| 92 | Q | 27.3 | Very low | 28.3 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 88% | 0.879 | 73% | 0.727 | S | S | * | * | | | | 77.6 | 104.1 | 64.4 | -177 | -165.2 | 35.2 | 0 | 0 | 114 | | |
| 93 | V | 27.6 | Very low | 27.8 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 75% | 0.745 | 72% | 0.723 | S | S | * | * | | | trans | -141.7 | 129 | 164.3 | 179 | 0 | 0 | 0 | 0 | 111.1 | | |
| 94 | R | 26.3 | Very low | 27.9 | Very low | 223 Ų | 223 | 144.1 Ų | 144.1 | 84% | 0.842 | 72% | 0.717 | S | S | * | * | | | trans | 19.3 | 126.4 | 157.1 | -60.6 | 169.4 | -178.8 | 138.9 | 0.6 | 119.3 | | |
| 95 | K | 24.7 | Very low | 27.9 | Very low | 197 Ų | 197 | 145.1 Ų | 145.1 | 86% | 0.857 | 72% | 0.718 | S | S | * | * | | | | 74.8 | 96.4 | 53.6 | -174.7 | -163.7 | 177.4 | -179.2 | 0 | 114.1 | | |
| 96 | E | 26.8 | Very low | 27.8 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 70% | 0.696 | 73% | 0.726 | S | S | * | * | | | trans | -166.6 | 141.4 | 142.2 | -99.9 | -152.6 | 146.1 | 0 | 0 | 112.2 | | |
| 97 | K | 29.6 | Very low | 27.7 | Very low | 166 Ų | 166 | 150.8 Ų | 150.8 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | | | trans | 54.8 | 146.2 | 152.5 | -62.4 | 158.7 | -174.5 | 154.1 | 0 | 120 | | |
| 98 | S | 24.6 | Very low | 27.7 | Very low | 97 Ų | 97 | 152.2 Ų | 152.2 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | | | cis | -168.6 | 171 | -19.1 | 54.5 | 0 | 0 | 0 | 0 | 110 | | |
| 99 | S | 27.3 | Very low | 28.3 | Very low | 85 Ų | 85 | 149.5 Ų | 149.5 | 59% | 0.594 | 74% | 0.742 | S | S | * | * | | | trans | 52.4 | 109.1 | 150.4 | 53.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 100 | Q | 30.6 | Very low | 28.3 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | | | | 72.7 | 147.4 | 101.8 | -73.3 | 179.4 | -98.9 | 0 | 0 | 115.1 | | |
| 101 | D | 30.1 | Very low | 28.4 | Very low | 96 Ų | 96 | 148.2 Ų | 148.2 | 51% | 0.513 | 74% | 0.743 | S | S | . | * | | | cis | -158.1 | 161.9 | -2.1 | -111.6 | -15.2 | 0 | 0 | 0 | 105.4 | | |
| 102 | K | 32.4 | Very low | 28.8 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | | | cis | -162.9 | 142.5 | 16.3 | -128.6 | 154.2 | -172.5 | 130 | 0 | 110.2 | | |
| 103 | R | 27.7 | Very low | 29 | Very low | 190 Ų | 190 | 150.1 Ų | 150.1 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | | | trans | 44.4 | 149.9 | 131.5 | -64.3 | 178.5 | -172.4 | -116.5 | 2.9 | 121.1 | | |
| 104 | E | 29.9 | Very low | 29.3 | Very low | 138 Ų | 138 | 154.6 Ų | 154.6 | 65% | 0.645 | 74% | 0.742 | S | S | * | * | | | cis | -154.6 | 140.2 | -5 | -111.8 | 145.7 | -178.7 | 0 | 0 | 107.1 | | |
| 105 | N | 26.8 | Very low | 29.5 | Very low | 142 Ų | 142 | 149.3 Ų | 149.3 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | | | | 64.8 | 147.6 | 86.7 | -157.9 | 46.9 | 0 | 0 | 0 | 116.6 | | |
| 106 | W | 28.1 | Very low | 29.9 | Very low | 233 Ų | 233 | 150.5 Ų | 150.5 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | | | trans | -80.3 | 149.6 | -173.7 | -66.4 | 44.6 | 0 | 0 | 0 | 113 | | |
| 107 | E | 25.1 | Very low | 30.1 | Very low | 191 Ų | 191 | 152.2 Ų | 152.2 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | | | trans | -156.6 | 140.7 | 143.5 | -122 | 162.4 | -140.3 | 0 | 0 | 113 | | |
| 108 | N | 30.6 | Very low | 30.3 | Very low | 154 Ų | 154 | 154.1 Ų | 154.1 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | | | trans | -120.1 | 154.7 | 158.7 | -115.7 | -18.7 | 0 | 0 | 0 | 104.6 | | |
| 109 | P | 40.5 | Very low | 30.6 | Very low | 128 Ų | 128 | 155.4 Ų | 155.4 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | | | cis | -116.2 | 176.7 | 14.1 | 39.7 | -27.2 | 0 | 0 | 0 | 113.4 | | |
| 110 | G | 26.3 | Very low | 30.8 | Very low | 71 Ų | 71 | 155.3 Ų | 155.3 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | | | trans | -90.4 | 166.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 111 | D | 29.8 | Very low | 30.9 | Very low | 130 Ų | 130 | 156.6 Ų | 156.6 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | | | trans | -150.6 | 155.4 | 154.6 | -147.8 | 5 | 0 | 0 | 0 | 114.4 | | |
| 112 | K | 33 | Very low | 31.1 | Very low | 157 Ų | 157 | 161 Ų | 161 | 68% | 0.683 | 79% | 0.789 | S | S | * | * | | | trans | 12.1 | 122.3 | 164.4 | -68.5 | 155.3 | -164.8 | 81.2 | 0 | 122 | | |
| 113 | Q | 31.8 | Very low | 31 | Very low | 167 Ų | 167 | 161.1 Ų | 161.1 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | | | trans | 74.1 | 121.4 | 130.3 | -65.6 | -167.2 | -6.2 | 0 | 0 | 124 | | |
| 114 | R | 32.4 | Very low | 31.4 | Very low | 217 Ų | 217 | 159 Ų | 159 | 82% | 0.819 | 79% | 0.791 | S | S | * | * | | | trans | 71.9 | 108 | 132.6 | -73.7 | -177.4 | 162.2 | -175 | -3.8 | 122.2 | | |
| 115 | S | 31.9 | Very low | 31.4 | Very low | 113 Ų | 113 | 157.3 Ų | 157.3 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | | | trans | 82.5 | 153.7 | 130.2 | 88.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 116 | R | 32.1 | Very low | 31.4 | Very low | 222 Ų | 222 | 157.2 Ų | 157.2 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | | | cis | -160.1 | 149 | 5.2 | -153.7 | 176.7 | 176.3 | 177.6 | -0.8 | 113 | | |
| 117 | K | 31.7 | Very low | 31.7 | Very low | 185 Ų | 185 | 152.3 Ų | 152.3 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | 108.8 | 115.8 | 152.2 | -64 | -178.9 | 177 | 175.6 | 0 | 120.3 | | |
| 118 | K | 33.7 | Very low | 32 | Very low | 205 Ų | 205 | 150.9 Ų | 150.9 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | | | trans | 60.3 | 106 | 140.1 | -71.5 | -164.6 | 169.4 | -163.6 | 0 | 121.8 | | |
| 119 | S | 30.3 | Very low | 32 | Very low | 124 Ų | 124 | 151.1 Ų | 151.1 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | | | | -164.5 | 171.5 | 103.3 | 55.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 120 | A | 33.2 | Very low | 31.4 | Very low | 83 Ų | 83 | 149.5 Ų | 149.5 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | | | trans | -41.4 | 137.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 121 | E | 32.1 | Very low | 31.5 | Very low | 191 Ų | 191 | 153.8 Ų | 153.8 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | | | | 77.8 | 123.6 | 69.4 | -150.3 | 155.8 | -135.5 | 0 | 0 | 110.2 | | |
| 122 | E | 33.9 | Very low | 31.6 | Very low | 189 Ų | 189 | 156.2 Ų | 156.2 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | | | | -149.2 | 166.2 | 58.2 | -168.9 | 170.7 | -171.7 | 0 | 0 | 113 | | |
| 123 | K | 31.2 | Very low | 32.5 | Very low | 153 Ų | 153 | 153.7 Ų | 153.7 | 67% | 0.665 | 77% | 0.771 | S | S | * | * | | | trans | -105.5 | 153.6 | 175.9 | -75.5 | 179.4 | 79.8 | -81.8 | 0 | 110.4 | D125 | K123-D125 IonicContact NZ-OD2 2.59Å; K123-D125 PolarHBondContact NZ-OD2 3.46Å |
| 124 | L | 34.7 | Very low | 32.4 | Very low | 145 Ų | 145 | 152.8 Ų | 152.8 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | | 69.8 | 132.7 | 51 | -102.9 | -172 | 0 | 0 | 0 | 116.3 | | |
| 125 | D | 29.5 | Very low | 32.2 | Very low | 104 Ų | 104 | 150.2 Ų | 150.2 | 56% | 0.556 | 76% | 0.762 | S | S | * | * | | | trans | 96.7 | 119.6 | 160.7 | -46.8 | -35.5 | 0 | 0 | 0 | 119.7 | K123 | K123-D125 IonicContact NZ-OD2 2.59Å; K123-D125 PolarHBondContact NZ-OD2 3.46Å |
| 126 | D | 27.5 | Very low | 32.5 | Very low | 140 Ų | 140 | 151.1 Ų | 151.1 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | trans | 68.6 | 134.6 | 132 | -68.8 | -16.3 | 0 | 0 | 0 | 128 | | |
| 127 | L | 33.8 | Very low | 33 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | | | trans | 65.3 | 141.4 | 133.2 | -66.1 | 168 | 0 | 0 | 0 | 124.8 | | |
| 128 | E | 32 | Very low | 33 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | | | trans | 52.1 | 168.2 | 139.5 | -70 | 165.7 | -174.7 | 0 | 0 | 120.7 | | |
| 129 | E | 30.4 | Very low | 33 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | | | cis | -171 | 141.8 | -40.9 | 172.9 | 167 | 163.3 | 0 | 0 | 106.7 | | |
| 130 | S | 29.3 | Very low | 32.8 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | | | trans | 60.4 | 164.3 | 172.2 | -61.8 | 0 | 0 | 0 | 0 | 116.7 | | |
| 131 | D | 27.6 | Very low | 32.8 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 86% | 0.861 | 74% | 0.737 | S | S | * | * | | | cis | -139.2 | 171.1 | 19.6 | -95.6 | -54.7 | 0 | 0 | 0 | 113.6 | | |
| 132 | E | 32.3 | Very low | 32.8 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 84% | 0.841 | 73% | 0.731 | S | S | * | * | | | trans | -93.8 | -172.2 | 165.6 | -118.4 | -171.2 | -173.2 | 0 | 0 | 110.4 | | |
| 133 | P | 51.6 | Low | 32.8 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | | | cis | -129.8 | -168.4 | -15.6 | 35.2 | -14.2 | 0 | 0 | 0 | 112.8 | | |
| 134 | E | 28.5 | Very low | 32.8 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 69% | 0.687 | 72% | 0.717 | S | S | * | * | | | | 162.1 | 156.4 | 109.6 | -131.6 | -147.5 | 153.1 | 0 | 0 | 115.6 | | |
| 135 | K | 28.5 | Very low | 32.5 | Very low | 163 Ų | 163 | 135.8 Ų | 135.8 | 71% | 0.709 | 72% | 0.718 | S | S | * | * | | | trans | 59.4 | 105.3 | 161.7 | -80.4 | 174.4 | 177.3 | 76.8 | 0 | 121 | | |
| 136 | V | 39.2 | Very low | 32.8 | Very low | 133 Ų | 133 | 137.1 Ų | 137.1 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | | | trans | -69.5 | 161.2 | 150.6 | -146.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 137 | P | 42.4 | Very low | 33.1 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | | | | -148.5 | 149.4 | 99.6 | 37.7 | -21.8 | 0 | 0 | 0 | 116.1 | | |
| 138 | E | 31.8 | Very low | 33.6 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 78% | 0.78 | 73% | 0.727 | S | S | * | * | | | trans | 65.7 | 152.1 | 142.2 | -68 | -176.2 | -178.8 | 0 | 0 | 119.6 | | |
| 139 | L | 32.8 | Very low | 33.7 | Very low | 140 Ų | 140 | 138.4 Ų | 138.4 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | | | cis | -160.1 | 164.3 | 1.1 | -128.5 | 172.1 | 0 | 0 | 0 | 112.2 | | |
| 140 | D | 27.4 | Very low | 33.8 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | | | trans | 91.4 | 157.7 | 140.2 | -139.9 | 4.3 | 0 | 0 | 0 | 123.2 | | |
| 141 | S | 32.4 | Very low | 34.1 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | | | trans | 71.1 | 116.5 | -176.4 | 64.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 142 | F | 32.1 | Very low | 34.4 | Very low | 174 Ų | 174 | 140.4 Ų | 140.4 | 76% | 0.763 | 74% | 0.741 | S | S | * | * | | | | 68.3 | 136.1 | 51.7 | -78.1 | -132.5 | 0 | 0 | 0 | 113.9 | | |
| 143 | L | 33 | Very low | 34.4 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 61% | 0.607 | 75% | 0.745 | S | S | * | * | | | cis | -160.6 | 170.3 | -18.1 | -118 | -175.4 | 0 | 0 | 0 | 108.4 | | |
| 144 | Q | 31.2 | Very low | 33.6 | Very low | 140 Ų | 140 | 143 Ų | 143 | 65% | 0.654 | 75% | 0.752 | S | S | * | * | | | trans | 30.9 | 120.9 | 152.3 | -82.3 | 154.6 | -29.2 | 0 | 0 | 121 | | |
| 145 | S | 30.1 | Very low | 34.1 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | -68.4 | 132.5 | 130.3 | 53.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 146 | D | 35.1 | Very low | 34.7 | Very low | 131 Ų | 131 | 145.5 Ų | 145.5 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | -139.1 | 138.2 | 146 | -84.4 | -18.1 | 0 | 0 | 0 | 103.5 | | |
| 147 | N | 33.8 | Very low | 34.5 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | | | cis | 57.5 | 71 | 15.2 | -119.3 | 114.3 | 0 | 0 | 0 | 111.9 | | |
| 148 | E | 43.3 | Very low | 34.1 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | | 48.9 | 100.7 | 72.6 | -54.1 | -171.8 | -117.8 | 0 | 0 | 111.9 | | |
| 149 | D | 34.7 | Very low | 34.3 | Very low | 162 Ų | 162 | 149.9 Ų | 149.9 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | | | trans | -172.9 | 100.9 | 144.1 | -96.4 | -24.1 | 0 | 0 | 0 | 107.4 | | |
| 150 | D | 33.2 | Very low | 34.5 | Very low | 163 Ų | 163 | 150.8 Ų | 150.8 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | | | trans | -148.1 | 87.3 | 175 | -159.5 | 7.9 | 0 | 0 | 0 | 110.3 | C152 | D150-C152 PolarHBondContact O-N 2.83Š|
| 151 | E | 36.3 | Very low | 34.7 | Very low | 184 Ų | 184 | 152 Ų | 152 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -87.1 | 99.8 | 176.8 | -78.7 | -160.5 | 149.8 | 0 | 0 | 111.8 | | |
| 152 | C | 32.8 | Very low | 35.2 | Very low | 109 Ų | 109 | 156.7 Ų | 156.7 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | | | trans | 47.9 | 110.3 | 139.3 | -57 | 0 | 0 | 0 | 0 | 119.2 | D150 | D150-C152 PolarHBondContact O-N 2.83Š|
| 153 | M | 33.1 | Very low | 35.3 | Very low | 186 Ų | 186 | 151 Ų | 151 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | | | trans | -118.4 | 131.9 | 140.3 | -73.1 | -68.7 | 154.9 | 0 | 0 | 109.5 | | |
| 154 | D | 33.7 | Very low | 35 | Very low | 153 Ų | 153 | 156.2 Ų | 156.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -73 | 139 | 169.1 | -59 | -62.6 | 0 | 0 | 0 | 109.5 | | |
| 155 | E | 39.7 | Very low | 35 | Very low | 197 Ų | 197 | 156 Ų | 156 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | | | trans | -174.2 | 111.3 | 137 | -104.3 | 158.2 | 179.8 | 0 | 0 | 112.6 | | |
| 156 | E | 40.6 | Very low | 34.9 | Very low | 166 Ų | 166 | 159 Ų | 159 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | | | trans | -77 | 162 | 152.6 | -79.1 | -172.7 | 133.3 | 0 | 0 | 109.5 | | |
| 157 | H | 34.8 | Very low | 34.6 | Very low | 175 Ų | 175 | 158.5 Ų | 158.5 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | | | trans | 84.9 | 97.6 | 173.8 | -44.9 | -52.2 | 0 | 0 | 0 | 117.2 | | |
| 158 | L | 33.7 | Very low | 34.6 | Very low | 152 Ų | 152 | 160.2 Ų | 160.2 | 80% | 0.796 | 82% | 0.817 | S | S | * | * | | | trans | -159.7 | 34.3 | 132.4 | -114.2 | 174.1 | 0 | 0 | 0 | 115.9 | D160 | L158-D160 VanDerWaalsContact C-N 3.32Å; L158-D160 PolarHBondContact O-N 3.21Å; L158-D160 VanDerWaalsContact O-N 3.14Å |
| 159 | D | 36.7 | Very low | 34 | Very low | 169 Ų | 169 | 159.1 Ų | 159.1 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | | | trans | -82.7 | 71.9 | 165.4 | -73.4 | -51.5 | 0 | 0 | 0 | 111 | | |
| 160 | D | 36.5 | Very low | 33.8 | Very low | 159 Ų | 159 | 158.9 Ų | 158.9 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | | | trans | -174.7 | 57.1 | 160.7 | -109.6 | -16.1 | 0 | 0 | 0 | 112.6 | L158 | L158-D160 VanDerWaalsContact C-N 3.32Å; L158-D160 PolarHBondContact O-N 3.21Å; L158-D160 VanDerWaalsContact O-N 3.14Å |
| 161 | L | 33 | Very low | 33.7 | Very low | 151 Ų | 151 | 156.3 Ų | 156.3 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | -147.1 | 84.9 | 159.9 | -160.8 | 65.4 | 0 | 0 | 0 | 113.2 | G163 | L161-G163 PolarHBondContact O-N 2.93Š|
| 162 | E | 41.8 | Very low | 33.3 | Very low | 198 Ų | 198 | 154.9 Ų | 154.9 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | | | trans | -67.3 | 121.7 | 165.8 | -177.4 | 176.4 | -156.8 | 0 | 0 | 110.4 | | |
| 163 | G | 33.6 | Very low | 33.1 | Very low | 55 Ų | 55 | 159.1 Ų | 159.1 | 57% | 0.567 | 81% | 0.808 | S | S | * | * | | | trans | 93.7 | 103 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | L161 | L161-G163 PolarHBondContact O-N 2.93Š|
| 164 | F | 27 | Very low | 32.8 | Very low | 225 Ų | 225 | 158.4 Ų | 158.4 | 99% | 0.987 | 80% | 0.802 | S | S | * | * | | | | -148.7 | 148.7 | 121.2 | -119.1 | -79.4 | 0 | 0 | 0 | 110.2 | | |
| 165 | D | 31.6 | Very low | 32.7 | Very low | 134 Ų | 134 | 160 Ų | 160 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | | | trans | -118.1 | 132.3 | -171 | 174.9 | 30.2 | 0 | 0 | 0 | 109.6 | | |
| 166 | F | 28.5 | Very low | 32.1 | Very low | 174 Ų | 174 | 158.3 Ų | 158.3 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | | | trans | -171.5 | 136.6 | 145 | -128.9 | -117.1 | 0 | 0 | 0 | 115.9 | | |
| 167 | D | 27.6 | Very low | 31.6 | Very low | 121 Ų | 121 | 158 Ų | 158 | 65% | 0.647 | 80% | 0.797 | S | S | * | * | | | trans | 32.8 | 101 | 152 | -66.8 | 4.1 | 0 | 0 | 0 | 122.1 | | |
| 168 | L | 34.4 | Very low | 31.2 | Very low | 161 Ų | 161 | 155.8 Ų | 155.8 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | | | | -46.4 | 131.7 | 126.7 | 170.4 | 81 | 0 | 0 | 0 | 112.3 | | |
| 169 | E | 31.6 | Very low | 31.5 | Very low | 147 Ų | 147 | 153.5 Ų | 153.5 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | | | trans | -174 | 136.1 | 132 | -94.5 | -127 | 107.8 | 0 | 0 | 113.9 | | |
| 170 | Q | 30.4 | Very low | 31 | Very low | 158 Ų | 158 | 152.6 Ų | 152.6 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | trans | 58.7 | 145.6 | 152.3 | -57 | -178.8 | 28.6 | 0 | 0 | 119.7 | | |
| 171 | S | 29.7 | Very low | 30.7 | Very low | 109 Ų | 109 | 152.5 Ų | 152.5 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | cis | -139.4 | 159.8 | 10.2 | 53.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 172 | N | 27.6 | Very low | 30.4 | Very low | 153 Ų | 153 | 150 Ų | 150 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -84.1 | 149.8 | 172.1 | -54.1 | -78.4 | 0 | 0 | 0 | 110.6 | | |
| 173 | Q | 29.2 | Very low | 29.7 | Very low | 199 Ų | 199 | 148.7 Ų | 148.7 | 93% | 0.93 | 77% | 0.766 | S | S | * | * | | | trans | -154.8 | 146.6 | 130.7 | -118.3 | 165.4 | 47.2 | 0 | 0 | 112.5 | | |
| 174 | E | 27.7 | Very low | 29.5 | Very low | 170 Ų | 170 | 154.1 Ų | 154.1 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | -91.8 | 141.3 | 178.7 | -53.1 | 153.6 | 128.3 | 0 | 0 | 109 | | |
| 175 | K | 30.8 | Very low | 29.7 | Very low | 188 Ų | 188 | 153.1 Ų | 153.1 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | | | | 176.8 | 147 | 115 | -97.4 | 168.8 | -178.2 | -177.5 | 0 | 116 | | |
| 176 | E | 27.7 | Very low | 29.6 | Very low | 161 Ų | 161 | 153.7 Ų | 153.7 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | trans | -18.4 | 150.5 | 149.8 | -78.3 | 171.7 | 110 | 0 | 0 | 120.8 | | |
| 177 | L | 29 | Very low | 29.7 | Very low | 159 Ų | 159 | 152.7 Ų | 152.7 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | trans | 75.4 | 118.9 | 147.6 | -65 | 162.7 | 0 | 0 | 0 | 120.5 | | |
| 178 | T | 28.1 | Very low | 30 | Very low | 128 Ų | 128 | 153 Ų | 153 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -93.1 | 177.1 | 150.4 | 55.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 179 | P | 39.8 | Very low | 29.8 | Very low | 105 Ų | 105 | 153 Ų | 153 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | | | cis | -143.2 | 174.2 | 11.5 | 45.3 | -27.3 | 0 | 0 | 0 | 118.3 | | |
| 180 | E | 26.5 | Very low | 29.8 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 70% | 0.696 | 79% | 0.79 | S | S | * | * | | | trans | 63.4 | 159.2 | 153.6 | -74.2 | -166.8 | 151.4 | 0 | 0 | 119.7 | | |
| 181 | K | 28.3 | Very low | 30 | Very low | 158 Ų | 158 | 150.6 Ų | 150.6 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | | | cis | -162.1 | 165.2 | -2.7 | -117.3 | 166.6 | 178.4 | 139.1 | 0 | 107.5 | | |
| 182 | S | 27.2 | Very low | 30.3 | Very low | 98 Ų | 98 | 151.6 Ų | 151.6 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | | | cis | -176.6 | 136.2 | -40.9 | 60.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 183 | L | 27.1 | Very low | 30.7 | Very low | 170 Ų | 170 | 148.9 Ų | 148.9 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | | | trans | -153.7 | 154.2 | 159.5 | -154.1 | 71.6 | 0 | 0 | 0 | 113 | | |
| 184 | E | 30.2 | Very low | 31.5 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | trans | -31.7 | 122.9 | -172.2 | -62 | -179.4 | 100.3 | 0 | 0 | 118.9 | | |
| 185 | K | 30.3 | Very low | 32.5 | Very low | 205 Ų | 205 | 141 Ų | 141 | 89% | 0.891 | 76% | 0.757 | S | S | * | * | | | | -152.3 | 130.8 | 129.7 | -121.5 | 167.7 | -172.8 | 170.2 | 0 | 111.5 | N187 | K185-N187 PolarHBondContact O-N 2.9Š|
| 186 | N | 31.1 | Very low | 34.3 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | | | trans | -72.2 | 124.8 | 168.1 | -63.6 | -68.6 | 0 | 0 | 0 | 109 | | |
| 187 | N | 29.6 | Very low | 36.6 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | | | | -176.3 | 136.4 | 122.4 | -88.5 | -25.2 | 0 | 0 | 0 | 111.5 | K185 | K185-N187 PolarHBondContact O-N 2.9Š|
| 188 | T | 34.5 | Very low | 38.8 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | | | trans | -17.4 | 121.2 | 164.5 | 52.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 189 | D | 30.5 | Very low | 40.9 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 87% | 0.872 | 70% | 0.701 | S | S | * | * | | | | -144.4 | 153.4 | 115.8 | -126.1 | -32.4 | 0 | 0 | 0 | 110.6 | | |
| 190 | S | 31.1 | Very low | 42.5 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 79% | 0.79 | 70% | 0.697 | S | S | * | * | | | trans | -100.6 | 124.5 | -161.5 | -61.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 191 | T | 34.4 | Very low | 44.1 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 86% | 0.859 | 70% | 0.697 | S | S | * | * | | | trans | -113.2 | 153.6 | 160.2 | 53.6 | 0 | 0 | 0 | 0 | 111.2 | S193 | T191-S193 PolarHBondContact O-N 3.43Š|
| 192 | V | 36 | Very low | 45.7 | Very low | 131 Ų | 131 | 127 Ų | 127 | 79% | 0.794 | 68% | 0.678 | S | S | * | * | | | trans | -57.7 | 127.2 | -160.5 | 178.5 | 0 | 0 | 0 | 0 | 113.9 | Q194 | V192-Q194 PolarHBondContact O-N 3.25Š|
| 193 | S | 36.1 | Very low | 47.3 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 66% | 0.664 | 69% | 0.693 | S | S | * | * | | | trans | -69.7 | 94.2 | 179 | 170.8 | 0 | 0 | 0 | 0 | 112.8 | T191 | T191-S193 PolarHBondContact O-N 3.43Š|
| 194 | Q | 45.2 | Very low | 49.3 | Very low | 156 Ų | 156 | 129 Ų | 129 | 73% | 0.729 | 66% | 0.663 | S | S | * | * | | | trans | -64.1 | 144.4 | 168.3 | -71 | -67.3 | -8 | 0 | 0 | 112.1 | V192 E196 | V192-Q194 PolarHBondContact O-N 3.25Å; Q194-E196 PolarHBondContact O-N 3.05Å |
| 195 | P | 49.3 | Very low | 50.9 | Low | 47 Ų | 47 | 126 Ų | 126 | 31% | 0.305 | 66% | 0.658 | S | S | . | * | | | trans | -80.2 | 99.2 | 178.1 | 31.6 | -31.6 | 0 | 0 | 0 | 111.2 | F197 R212 | P195-F197 WeakPolarHBondContact O-CD2 3.42Å; P195-F197 VanDerWaalsContact O-CE2 3.22Å; P195-F197 WeakPolarHBondContact O-CE2 3.42Å; P195-R212 HydrophobicContact CB-CG 4.31Å; P195-R212 VanDerWaalsContact CB-NE 3.33Å |
| 196 | E | 68.2 | Low | 52.5 | Low | 114 Ų | 114 | 126 Ų | 126 | 53% | 0.533 | 65% | 0.653 | S | S | . | * | | | trans | -70.9 | 141.4 | 176.7 | -169.3 | -162.9 | 123.4 | 0 | 0 | 112 | Q194 K213 | Q194-E196 PolarHBondContact O-N 3.05Å; E196-K213 VanDerWaalsContact CD-CE 3.49Å; E196-K213 PolarHBondContact O-N 3.31Å; E196-K213 WeakPolarHBondContact OE1-CE 3.44Å; E196-K213 IonicContact OE1-NZ 3.52Å; E196-K213 PolarHBondContact OE1-NZ 2.7Å; E196-K213 VanDerWaalsContact OE2-CE 3.29Å; E196-K213 WeakPolarHBondContact OE2-CE 3.46Å; E196-K213 IonicContact OE2-NZ 3.07Å; E196-K213 PolarHBondContact OE2-NZ 3.5Å |
| 197 | F | 76.1 | Confident | 53.8 | Low | 112 Ų | 112 | 124.2 Ų | 124.2 | 49% | 0.491 | 64% | 0.642 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.1 | 150.2 | 177.6 | -64.8 | -104.4 | 0 | 0 | 0 | 110.4 | P195 I210 G211 R212 | P195-F197 WeakPolarHBondContact O-CD2 3.42Å; P195-F197 VanDerWaalsContact O-CE2 3.22Å; P195-F197 WeakPolarHBondContact O-CE2 3.42Å; F197-I210 HydrophobicContact CB-CG2 4.03Å; F197-I210 HydrophobicContact CD1-CG2 3.97Å; F197-I210 HydrophobicContact CG-CG2 4.38Å; F197-G211 CarbonylContact C-O 3.55Å; F197-G211 VanDerWaalsContact CA-O 3.29Å; F197-G211 WeakPolarHBondContact CA-O 3.35Å; F197-R212 HydrophobicContact CD1-CB 3.76Å; F197-R212 HydrophobicContact CD1-CG 4.38Å; F197-R212 HydrophobicContact CE1-CB 3.61Å; F197-R212 HydrophobicContact CE1-CG 4.06Å; F197-R212 HydrophobicContact CZ-CB 4.26Å; F197-R212 HydrophobicContact CZ-CG 4.2Å |
| 198 | F | 74.4 | Confident | 55.8 | Low | 107 Ų | 107 | 121.7 Ų | 121.7 | 47% | 0.469 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112 | 140.4 | 167.3 | 67.9 | -89 | 0 | 0 | 0 | 110.6 | K200 I210 G211 | F198-K200 HydrophobicContact CD2-CB 4.43Å; F198-K200 HydrophobicContact CE2-CB 4.4Å; F198-I210 WeakPolarHBondContact O-CA 3.44Å; F198-G211 VanDerWaalsContact CD1-O 3.22Å; F198-G211 WeakPolarHBondContact CD1-O 3.4Å; F198-G211 PolarHBondContact N-O 2.8Å; F198-G211 PolarHBondContact O-N 3.16Å |
| 199 | V | 73.6 | Confident | 57.5 | Low | 85 Ų | 85 | 120.6 Ų | 120.6 | 52% | 0.515 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.3 | 115.8 | 171.8 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | L208 I210 | V199-L208 HydrophobicContact CG1-CB 4.04Å; V199-L208 HydrophobicContact CG1-CD1 4.25Å; V199-L208 HydrophobicContact CG1-CD2 4.14Å; V199-L208 HydrophobicContact CG1-CG 4.38Å; V199-I210 HydrophobicContact CG1-CG1 4.45Å; V199-I210 HydrophobicContact CG2-CD1 4.44Å; V199-I210 HydrophobicContact CG2-CG1 4.18Å; V199-I210 HydrophobicContact CG2-CG2 4.48Å |
| 200 | K | 72.3 | Confident | 59.8 | Low | 140 Ų | 140 | 118 Ų | 118 | 61% | 0.609 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.9 | 101.6 | 170.9 | -166.6 | 170.5 | -173.3 | 175.4 | 0 | 109 | F198 T202 I209 | F198-K200 HydrophobicContact CD2-CB 4.43Å; F198-K200 HydrophobicContact CE2-CB 4.4Å; K200-T202 PolarHBondContact O-N 3.01Å; K200-I209 PolarHBondContact N-O 2.9Å; K200-I209 PolarHBondContact O-N 2.97Å |
| 201 | Q | 60.4 | Low | 61.3 | Low | 146 Ų | 146 | 113.4 Ų | 113.4 | 68% | 0.682 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -62 | 128.7 | 170 | -167.1 | 175 | 19.4 | 0 | 0 | 109 | L208 | Q201-L208 HydrophobicContact CB-CD2 4.17Å; Q201-L208 HydrophobicContact CG-CD2 4.01Å |
| 202 | T | 62.1 | Low | 62.9 | Low | 50 Ų | 50 | 114.2 Ų | 114.2 | 31% | 0.307 | 56% | 0.56 | S | S | . | * | | | trans | -93.2 | 177.9 | 173.6 | 75.3 | 0 | 0 | 0 | 0 | 110.2 | K200 D204 L207 I209 | K200-T202 PolarHBondContact O-N 3.01Å; T202-D204 PolarHBondContact O-N 3.01Å; T202-D204 PolarHBondContact OG1-N 3.12Å; T202-D204 PolarHBondContact OG1-O 3.16Å; T202-L207 WeakPolarHBondContact CG2-O 3.42Å; T202-L207 PolarHBondContact N-O 3.07Å; T202-L207 PolarHBondContact OG1-O 3.21Å; T202-I209 HydrophobicContact CG2-CD1 3.9Å; T202-I209 HydrophobicContact CG2-CG1 4.08Å |
| 203 | R | 62 | Low | 64.4 | Low | 260 Ų | 260 | 112.7 Ų | 112.7 | 98% | 0.981 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -73.1 | -8.1 | 176.5 | -77.9 | -177.5 | 173.6 | 161.2 | -3.2 | 114.1 | | |
| 204 | D | 67.5 | Low | 64.6 | Low | 51 Ų | 51 | 114.4 Ų | 114.4 | 27% | 0.273 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -100.3 | 121.1 | 164.6 | -170 | -39.7 | 0 | 0 | 0 | 108.5 | T202 R206 L207 | T202-D204 PolarHBondContact O-N 3.01Å; T202-D204 PolarHBondContact OG1-N 3.12Å; T202-D204 PolarHBondContact OG1-O 3.16Å; D204-R206 PolarHBondContact O-N 2.94Å; D204-R206 VanDerWaalsContact O-N 3.08Å; D204-R206 VanDerWaalsContact OD1-CB 3.3Å; D204-R206 WeakPolarHBondContact OD1-CB 3.46Å; D204-R206 IonicContact OD1-CZ 3.88Å; D204-R206 PolarHBondContact OD1-N 3.27Å; D204-R206 IonicContact OD1-NE 3.12Å; D204-R206 PolarHBondContact OD1-NE 3.37Å; D204-R206 VanDerWaalsContact OD1-NE 3.12Å; D204-R206 IonicContact OD1-NH2 3.72Å; D204-R206 IonicContact OD2-CZ 3.74Å; D204-R206 IonicContact OD2-NE 3.63Å; D204-R206 IonicContact OD2-NH2 2.96Å; D204-R206 PolarHBondContact OD2-NH2 2.87Å; D204-L207 PolarHBondContact O-N 2.84Å; D204-L207 VanDerWaalsContact O-N 3.09Å |
| 205 | P | 63.4 | Low | 64.2 | Low | 106 Ų | 106 | 112 Ų | 112 | 69% | 0.688 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -13.2 | -179.9 | 26.7 | -35.4 | 0 | 0 | 0 | 113.9 | | |
| 206 | R | 64 | Low | 63.6 | Low | 206 Ų | 206 | 115.8 Ų | 115.8 | 78% | 0.777 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -1.9 | 176.8 | -61.6 | 168.2 | -66.7 | -169 | 2.7 | 113.7 | D204 | D204-R206 PolarHBondContact O-N 2.94Å; D204-R206 VanDerWaalsContact O-N 3.08Å; D204-R206 VanDerWaalsContact OD1-CB 3.3Å; D204-R206 WeakPolarHBondContact OD1-CB 3.46Å; D204-R206 IonicContact OD1-CZ 3.88Å; D204-R206 PolarHBondContact OD1-N 3.27Å; D204-R206 IonicContact OD1-NE 3.12Å; D204-R206 PolarHBondContact OD1-NE 3.37Å; D204-R206 VanDerWaalsContact OD1-NE 3.12Å; D204-R206 IonicContact OD1-NH2 3.72Å; D204-R206 IonicContact OD2-CZ 3.74Å; D204-R206 IonicContact OD2-NE 3.63Å; D204-R206 IonicContact OD2-NH2 2.96Å; D204-R206 PolarHBondContact OD2-NH2 2.87Å |
| 207 | L | 58.5 | Low | 61.7 | Low | 106 Ų | 106 | 116 Ų | 116 | 56% | 0.555 | 58% | 0.581 | S | S | * | * | | | trans | -125.9 | 101 | -178.4 | -66.7 | 176.6 | 0 | 0 | 0 | 111.6 | T202 D204 | T202-L207 WeakPolarHBondContact CG2-O 3.42Å; T202-L207 PolarHBondContact N-O 3.07Å; T202-L207 PolarHBondContact OG1-O 3.21Å; D204-L207 PolarHBondContact O-N 2.84Å; D204-L207 VanDerWaalsContact O-N 3.09Å |
| 208 | L | 71.8 | Confident | 59.5 | Low | 101 Ų | 101 | 116.1 Ų | 116.1 | 53% | 0.529 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.3 | 171.6 | -60.6 | -179.3 | 0 | 0 | 0 | 110 | V199 Q201 | V199-L208 HydrophobicContact CG1-CB 4.04Å; V199-L208 HydrophobicContact CG1-CD1 4.25Å; V199-L208 HydrophobicContact CG1-CD2 4.14Å; V199-L208 HydrophobicContact CG1-CG 4.38Å; Q201-L208 HydrophobicContact CB-CD2 4.17Å; Q201-L208 HydrophobicContact CG-CD2 4.01Å |
| 209 | I | 70.1 | Confident | 57.3 | Low | 103 Ų | 103 | 119.7 Ų | 119.7 | 53% | 0.528 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.9 | 115 | 174.7 | -59.2 | 175.8 | 0 | 0 | 0 | 108.2 | K200 T202 | K200-I209 PolarHBondContact N-O 2.9Å; K200-I209 PolarHBondContact O-N 2.97Å; T202-I209 HydrophobicContact CG2-CD1 3.9Å; T202-I209 HydrophobicContact CG2-CG1 4.08Å |
| 210 | I | 78.5 | Confident | 55.2 | Low | 108 Ų | 108 | 120.1 Ų | 120.1 | 55% | 0.554 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.2 | 123.5 | 179.6 | -49 | -174.2 | 0 | 0 | 0 | 109.3 | F197 F198 V199 | F197-I210 HydrophobicContact CB-CG2 4.03Å; F197-I210 HydrophobicContact CD1-CG2 3.97Å; F197-I210 HydrophobicContact CG-CG2 4.38Å; F198-I210 WeakPolarHBondContact O-CA 3.44Å; V199-I210 HydrophobicContact CG1-CG1 4.45Å; V199-I210 HydrophobicContact CG2-CD1 4.44Å; V199-I210 HydrophobicContact CG2-CG1 4.18Å; V199-I210 HydrophobicContact CG2-CG2 4.48Å |
| 211 | G | 63.4 | Low | 53.2 | Low | 17 Ų | 17 | 121.4 Ų | 121.4 | 18% | 0.175 | 63% | 0.632 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F197 F198 | F197-G211 CarbonylContact C-O 3.55Å; F197-G211 VanDerWaalsContact CA-O 3.29Å; F197-G211 WeakPolarHBondContact CA-O 3.35Å; F198-G211 VanDerWaalsContact CD1-O 3.22Å; F198-G211 WeakPolarHBondContact CD1-O 3.4Å; F198-G211 PolarHBondContact N-O 2.8Å; F198-G211 PolarHBondContact O-N 3.16Å |
| 212 | R | 68.9 | Low | 51.8 | Low | 157 Ų | 157 | 118.9 Ų | 118.9 | 59% | 0.592 | 63% | 0.631 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.6 | 129.2 | 169.6 | -172.3 | 173.5 | 172.7 | 164.1 | 1 | 109.1 | P195 F197 | P195-R212 HydrophobicContact CB-CG 4.31Å; P195-R212 VanDerWaalsContact CB-NE 3.33Å; F197-R212 HydrophobicContact CD1-CB 3.76Å; F197-R212 HydrophobicContact CD1-CG 4.38Å; F197-R212 HydrophobicContact CE1-CB 3.61Å; F197-R212 HydrophobicContact CE1-CG 4.06Å; F197-R212 HydrophobicContact CZ-CB 4.26Å; F197-R212 HydrophobicContact CZ-CG 4.2Å |
| 213 | K | 66.9 | Low | 50.3 | Low | 99 Ų | 99 | 126 Ų | 126 | 43% | 0.43 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -88.6 | 137 | 173.7 | 75.4 | -171.6 | -173 | -167.9 | 0 | 110.7 | E196 | E196-K213 VanDerWaalsContact CD-CE 3.49Å; E196-K213 PolarHBondContact O-N 3.31Å; E196-K213 WeakPolarHBondContact OE1-CE 3.44Å; E196-K213 IonicContact OE1-NZ 3.52Å; E196-K213 PolarHBondContact OE1-NZ 2.7Å; E196-K213 VanDerWaalsContact OE2-CE 3.29Å; E196-K213 WeakPolarHBondContact OE2-CE 3.46Å; E196-K213 IonicContact OE2-NZ 3.07Å; E196-K213 PolarHBondContact OE2-NZ 3.5Å |
| 214 | N | 40.9 | Very low | 48.8 | Very low | 132 Ų | 132 | 118.3 Ų | 118.3 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 122.1 | 176.2 | -72.6 | -10.6 | 0 | 0 | 0 | 109.6 | T216 | N214-T216 PolarHBondContact O-N 3.01Š|
| 215 | S | 36.5 | Very low | 47 | Very low | 104 Ų | 104 | 120.9 Ų | 120.9 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | | | trans | -72.1 | 92.3 | -179.5 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 216 | T | 36.3 | Very low | 45.4 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | | | trans | -107.9 | 133.2 | 164.1 | 48.8 | 0 | 0 | 0 | 0 | 110.4 | N214 | N214-T216 PolarHBondContact O-N 3.01Š|
| 217 | S | 29.2 | Very low | 43.7 | Very low | 118 Ų | 118 | 119.9 Ų | 119.9 | 83% | 0.825 | 67% | 0.673 | S | S | * | * | | | trans | -56.7 | 141.6 | -170.9 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | F219 | S217-F219 PolarHBondContact O-N 3.24Š|
| 218 | S | 28.6 | Very low | 42.3 | Very low | 115 Ų | 115 | 122 Ų | 122 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | | | trans | -60.3 | 126.4 | 172 | 43.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 219 | F | 27.9 | Very low | 40.2 | Very low | 181 Ų | 181 | 122.8 Ų | 122.8 | 79% | 0.794 | 70% | 0.698 | S | S | * | * | | | trans | -100.6 | 109.5 | 153.7 | -172.1 | -91.7 | 0 | 0 | 0 | 107.4 | S217 E221 | S217-F219 PolarHBondContact O-N 3.24Å; F219-E221 HydrophobicContact CE1-CB 3.87Å |
| 220 | A | 30.8 | Very low | 38.2 | Very low | 94 Ų | 94 | 121.2 Ų | 121.2 | 78% | 0.777 | 71% | 0.706 | S | S | * | * | | | trans | -113 | 112.6 | -179 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 221 | E | 29 | Very low | 36.1 | Very low | 168 Ų | 168 | 122.7 Ų | 122.7 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | | | trans | -130.3 | 154.2 | 169.9 | -165.3 | 155.7 | -146.5 | 0 | 0 | 109.4 | F219 | F219-E221 HydrophobicContact CE1-CB 3.87Š|
| 222 | S | 31.6 | Very low | 34.9 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | | | | -134.8 | 157.4 | -127.6 | 79.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 223 | K | 31.4 | Very low | 33.2 | Very low | 200 Ų | 200 | 126.1 Ų | 126.1 | 87% | 0.87 | 75% | 0.747 | S | S | * | * | | | trans | 71.3 | 105.8 | 156.6 | -62.4 | 170.6 | -179 | 175.6 | 0 | 118.6 | | |
| 224 | A | 29.6 | Very low | 31.5 | Very low | 97 Ų | 97 | 129 Ų | 129 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | | | | 166 | 140.3 | 125.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 225 | S | 29.8 | Very low | 30.9 | Very low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | cis | 171.1 | 134.4 | -24 | 44.8 | 0 | 0 | 0 | 0 | 106.2 | | |
| 226 | K | 30.1 | Very low | 30.6 | Very low | 198 Ų | 198 | 127.8 Ų | 127.8 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | | | trans | 68.9 | 119 | 164.9 | -76.5 | -172.9 | 172.7 | -177.5 | 0 | 120.9 | | |
| 227 | S | 27.5 | Very low | 30.3 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | | | | 77.2 | 116.9 | 122.3 | 70.8 | 0 | 0 | 0 | 0 | 123.7 | | |
| 228 | I | 28.6 | Very low | 30.4 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | | | | 76.3 | 116.4 | 122.9 | -63.9 | 170.4 | 0 | 0 | 0 | 119.2 | | |
| 229 | S | 28.5 | Very low | 30.5 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | 57.7 | 149.6 | 150.4 | 74.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 230 | G | 27.7 | Very low | 30.7 | Very low | 69 Ų | 69 | 129.9 Ų | 129.9 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | | | trans | 112.7 | 109 | 152 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 231 | D | 35.1 | Very low | 30.7 | Very low | 139 Ų | 139 | 128.6 Ų | 128.6 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | trans | -62 | 145.5 | 144.2 | -178.9 | 46.3 | 0 | 0 | 0 | 108.3 | | |
| 232 | P | 37.7 | Very low | 30.7 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | | -145 | 156.9 | 110.5 | 39.1 | -26.1 | 0 | 0 | 0 | 115.8 | | |
| 233 | L | 33.3 | Very low | 30.9 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 71% | 0.707 | 77% | 0.765 | S | S | * | * | | | trans | -67.6 | 166.5 | 155.8 | -99.7 | 84.8 | 0 | 0 | 0 | 113.1 | | |
| 234 | E | 30.9 | Very low | 31.1 | Very low | 160 Ų | 160 | 133 Ų | 133 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | trans | 64.3 | 125.3 | 152.3 | -79.4 | -168.2 | 146.8 | 0 | 0 | 121.2 | | |
| 235 | T | 29.4 | Very low | 31.2 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | 63.4 | 156.5 | 145.4 | 62.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 236 | A | 29.6 | Very low | 31.1 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 65% | 0.645 | 77% | 0.768 | S | S | * | * | | | cis | -172.8 | 176.8 | -27.8 | 0 | 0 | 0 | 0 | 0 | 105.6 | | |
| 237 | M | 30 | Very low | 31.1 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | | | trans | 68.4 | 149.4 | 167.8 | -61.4 | 172 | 127.4 | 0 | 0 | 115.4 | | |
| 238 | E | 32.3 | Very low | 31.3 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | cis | -162.1 | -175.3 | -23.3 | -121.2 | 159.3 | -154.9 | 0 | 0 | 108.9 | | |
| 239 | D | 30.1 | Very low | 31.4 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | | | trans | 72.7 | 144.7 | 161.5 | -142 | 55.9 | 0 | 0 | 0 | 117.6 | | |
| 240 | S | 32.2 | Very low | 31.6 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | cis | -171.5 | 156.8 | -33 | 177.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 241 | G | 29.5 | Very low | 31.7 | Very low | 67 Ų | 67 | 143.3 Ų | 143.3 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | cis | -136.7 | -127.4 | -4.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 242 | D | 29.7 | Very low | 31.5 | Very low | 163 Ų | 163 | 142 Ų | 142 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | | | cis | -147.1 | 170.2 | -12.3 | 63.9 | -27.9 | 0 | 0 | 0 | 111.3 | | |
| 243 | E | 36.8 | Very low | 31.2 | Very low | 164 Ų | 164 | 143.1 Ų | 143.1 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | trans | -81.6 | 162.9 | -174.6 | -78.4 | -174.8 | 99.3 | 0 | 0 | 113 | | |
| 244 | Y | 35.7 | Very low | 30.9 | Very low | 227 Ų | 227 | 140 Ų | 140 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | | | cis | -137.4 | 147.7 | 37.9 | -66.3 | -106.8 | 0 | 0 | 0 | 109.9 | | |
| 245 | G | 29.7 | Very low | 30.8 | Very low | 72 Ų | 72 | 137.6 Ų | 137.6 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | | 117.8 | 142.9 | 58 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 246 | R | 28.1 | Very low | 30.9 | Very low | 219 Ų | 219 | 137.9 Ų | 137.9 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | | | cis | -161.3 | 143.1 | 24.7 | 173.4 | 176.3 | -176.2 | 160.2 | 11.9 | 111.4 | | |
| 247 | D | 30.2 | Very low | 31 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | trans | 40.3 | 134.5 | 160.6 | -45.7 | -18.3 | 0 | 0 | 0 | 119.9 | | |
| 248 | G | 32.4 | Very low | 31.1 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | | | cis | 166.4 | 155.7 | 0.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 249 | E | 30.6 | Very low | 31 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | | | cis | -147.9 | 160.9 | 8.7 | -55 | -168 | 86.2 | 0 | 0 | 113.2 | | |
| 250 | K | 33.4 | Very low | 31.4 | Very low | 158 Ų | 158 | 134 Ų | 134 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | | | trans | 53.9 | 115.8 | 148.4 | -67.4 | 153.2 | -174.7 | 158.5 | 0 | 119.7 | | |
| 251 | R | 29.4 | Very low | 31.4 | Very low | 235 Ų | 235 | 135 Ų | 135 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | | | | 77.3 | 139.8 | 66.2 | -79.6 | -166.3 | -175 | -145.9 | 4.6 | 114.2 | | |
| 252 | V | 31.4 | Very low | 31.6 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 67% | 0.673 | 78% | 0.78 | S | S | * | * | | | cis | -167 | 153.6 | -13.5 | 87.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 253 | T | 30.1 | Very low | 31.8 | Very low | 136 Ų | 136 | 147.4 Ų | 147.4 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | | | trans | 55.7 | 158 | 168.7 | 54.4 | 0 | 0 | 0 | 0 | 119 | | |
| 254 | G | 28.2 | Very low | 31.8 | Very low | 71 Ų | 71 | 145.3 Ų | 145.3 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | | | cis | -177.5 | 170.3 | -2.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 255 | S | 28.9 | Very low | 31.7 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | trans | -46.5 | 162.7 | -176.9 | -121.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 256 | D | 30.5 | Very low | 31.9 | Very low | 137 Ų | 137 | 154.4 Ų | 154.4 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | | | cis | -166.4 | -176.3 | 41.5 | -138.8 | -12.3 | 0 | 0 | 0 | 118.3 | | |
| 257 | T | 32.5 | Very low | 31.9 | Very low | 114 Ų | 114 | 148.3 Ų | 148.3 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | | | trans | 85.8 | 90.9 | 166.2 | 64.4 | 0 | 0 | 0 | 0 | 120 | | |
| 258 | T | 32.5 | Very low | 31.8 | Very low | 126 Ų | 126 | 146.9 Ų | 146.9 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | | 46.2 | 139.2 | 127.2 | 60.1 | 0 | 0 | 0 | 0 | 122.4 | | |
| 259 | S | 28.3 | Very low | 31.9 | Very low | 110 Ų | 110 | 155.1 Ų | 155.1 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | cis | -162.5 | 148.1 | -15.5 | -105.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 260 | P | 39.4 | Very low | 32 | Very low | 125 Ų | 125 | 152.8 Ų | 152.8 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | | | trans | -109.6 | 162.4 | -147.3 | 39.1 | -34.1 | 0 | 0 | 0 | 118 | | |
| 261 | T | 31.1 | Very low | 31.9 | Very low | 129 Ų | 129 | 150.3 Ų | 150.3 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | | | trans | -60.8 | 151.3 | 179.3 | -29 | 0 | 0 | 0 | 0 | 115.4 | | |
| 262 | R | 35.4 | Very low | 32.2 | Very low | 244 Ų | 244 | 146.4 Ų | 146.4 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | | | trans | -21.8 | 133.7 | 163.7 | -59.4 | 174.4 | 174 | -172.1 | -3.4 | 116 | | |
| 263 | R | 33.8 | Very low | 32 | Very low | 247 Ų | 247 | 146.2 Ų | 146.2 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | | | trans | -116.3 | 163 | 165.4 | -97.2 | -166.3 | 167.6 | -177 | -1.7 | 113.4 | | |
| 264 | P | 35.9 | Very low | 32.2 | Very low | 119 Ų | 119 | 150 Ų | 150 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | | | trans | -107.1 | 175 | -152.8 | 41.1 | -38 | 0 | 0 | 0 | 116.2 | | |
| 265 | R | 34.7 | Very low | 32.5 | Very low | 248 Ų | 248 | 151.4 Ų | 151.4 | 94% | 0.936 | 82% | 0.822 | S | S | * | * | | | trans | -84 | 125.9 | 168.9 | -68.6 | 174.3 | 165.2 | 130.9 | -5.3 | 112.2 | | |
| 266 | R | 33.4 | Very low | 32.9 | Very low | 243 Ų | 243 | 150.3 Ų | 150.3 | 92% | 0.917 | 83% | 0.828 | S | S | * | * | | | | -171.6 | 124.7 | 124.4 | -119.8 | -170.5 | 174.6 | -168.1 | 0.4 | 116.6 | | |
| 267 | A | 28 | Very low | 33.3 | Very low | 91 Ų | 91 | 151.8 Ų | 151.8 | 75% | 0.752 | 83% | 0.834 | S | S | * | * | | | trans | 35.2 | 125.7 | 133.6 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 268 | A | 28.5 | Very low | 33.7 | Very low | 104 Ų | 104 | 156.9 Ų | 156.9 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | | | trans | -126.5 | 163.8 | 131.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 269 | R | 34 | Very low | 34 | Very low | 248 Ų | 248 | 157.7 Ų | 157.7 | 94% | 0.936 | 84% | 0.841 | S | S | * | * | | | trans | -136 | 124.2 | 179.4 | -103.1 | -170.6 | 172.4 | -158.7 | -1.8 | 111.7 | | |
| 270 | A | 31.5 | Very low | 34.7 | Very low | 104 Ų | 104 | 159.9 Ų | 159.9 | 86% | 0.86 | 84% | 0.843 | S | S | * | * | | | trans | 26.6 | 126.3 | 148.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 271 | S | 32.1 | Very low | 34.8 | Very low | 106 Ų | 106 | 159.7 Ų | 159.7 | 74% | 0.741 | 84% | 0.841 | S | S | * | * | | | trans | -160.4 | 127.1 | 147.9 | 55.1 | 0 | 0 | 0 | 0 | 114 | | |
| 272 | I | 35 | Very low | 35.2 | Very low | 152 Ų | 152 | 161 Ų | 161 | 78% | 0.779 | 84% | 0.842 | S | S | * | * | | | trans | 70.2 | 96.2 | 147.2 | -52.6 | 160.9 | 0 | 0 | 0 | 119.1 | | |
| 273 | S | 29 | Very low | 35.6 | Very low | 107 Ų | 107 | 157.8 Ų | 157.8 | 75% | 0.748 | 84% | 0.837 | S | S | * | * | | | | 8.6 | 128 | 129.3 | -40.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 274 | F | 33 | Very low | 36.1 | Very low | 217 Ų | 217 | 155.5 Ų | 155.5 | 95% | 0.952 | 83% | 0.834 | S | S | * | * | | | trans | -153.3 | 88.2 | 147 | -119.1 | -76.4 | 0 | 0 | 0 | 112.1 | | |
| 275 | A | 35 | Very low | 36.3 | Very low | 100 Ų | 100 | 155.8 Ų | 155.8 | 83% | 0.826 | 84% | 0.836 | S | S | * | * | | | trans | -162.6 | 107.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 276 | G | 37.9 | Very low | 36.5 | Very low | 86 Ų | 86 | 147.3 Ų | 147.3 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | | | trans | -90.4 | 117.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 277 | I | 39 | Very low | 37.1 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 86% | 0.856 | 83% | 0.826 | S | S | * | * | | | trans | -126.5 | 134.6 | 163.5 | -59 | 180 | 0 | 0 | 0 | 107.2 | | |
| 278 | R | 41.2 | Very low | 37.9 | Very low | 221 Ų | 221 | 145.2 Ų | 145.2 | 83% | 0.834 | 83% | 0.827 | S | S | * | * | | | trans | -85.5 | 147.1 | -174.2 | -68 | -165.7 | -175.2 | -163.5 | 4.3 | 113.2 | | |
| 279 | D | 38.8 | Very low | 39.2 | Very low | 144 Ų | 144 | 149.2 Ų | 149.2 | 77% | 0.77 | 83% | 0.827 | S | S | * | * | | | trans | 14.7 | 107.9 | 146.5 | -50.2 | -50.6 | 0 | 0 | 0 | 118.5 | | |
| 280 | L | 42.9 | Very low | 40.1 | Very low | 156 Ų | 156 | 147.6 Ų | 147.6 | 82% | 0.817 | 82% | 0.822 | S | S | * | * | | | trans | -129.2 | 128.8 | 148 | -74.3 | 177.9 | 0 | 0 | 0 | 109.3 | I282 | L280-I282 PolarHBondContact O-N 3.2Š|
| 281 | P | 40.7 | Very low | 41.5 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | | | trans | -82.4 | 83.6 | -173.5 | 33 | -35.4 | 0 | 0 | 0 | 111.6 | Q283 | P281-Q283 PolarHBondContact O-N 3.27Š|
| 282 | I | 39.8 | Very low | 43.5 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -65.2 | 108.1 | 171.6 | -58.1 | 179.2 | 0 | 0 | 0 | 108.9 | L280 | L280-I282 PolarHBondContact O-N 3.2Š|
| 283 | Q | 42.5 | Very low | 45 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 135.7 | 175.4 | -63.7 | -171 | 21.7 | 0 | 0 | 110.1 | P281 P285 | P281-Q283 PolarHBondContact O-N 3.27Å; Q283-P285 WeakPolarHBondContact O-CD 3.49Å |
| 284 | K | 44.8 | Very low | 46.6 | Very low | 198 Ų | 198 | 149.6 Ų | 149.6 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 122.1 | 173.5 | -63.8 | 177.7 | -177.4 | 175.9 | 0 | 108.8 | G286 | K284-G286 PolarHBondContact O-N 3.18Š|
| 285 | P | 41.6 | Very low | 48.5 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 133.8 | 166.9 | 25.6 | -32.6 | 0 | 0 | 0 | 108.9 | Q283 | Q283-P285 WeakPolarHBondContact O-CD 3.49Š|
| 286 | G | 38.7 | Very low | 50.2 | Low | 70 Ų | 70 | 144.2 Ų | 144.2 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 146.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K284 A288 | K284-G286 PolarHBondContact O-N 3.18Å; G286-A288 PolarHBondContact O-N 3.49Å |
| 287 | Q | 44.6 | Very low | 51.6 | Low | 198 Ų | 198 | 148.6 Ų | 148.6 | 93% | 0.925 | 73% | 0.732 | S | S | * | * | | | trans | -66 | 94.1 | 173.2 | -78.6 | -171.1 | -27.9 | 0 | 0 | 110.7 | Q289 | Q287-Q289 PolarHBondContact O-N 2.93Å; Q287-Q289 VanDerWaalsContact O-N 3.07Å |
| 288 | A | 46.4 | Very low | 52.8 | Low | 92 Ų | 92 | 147.2 Ų | 147.2 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | | | trans | -60.3 | 110.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | G286 R290 | G286-A288 PolarHBondContact O-N 3.49Å; A288-R290 PolarHBondContact O-N 2.83Å |
| 289 | Q | 54.8 | Low | 53.9 | Low | 188 Ų | 188 | 140 Ų | 140 | 88% | 0.879 | 70% | 0.703 | S | S | * | * | | | trans | -68.2 | 89.8 | -173.7 | -169.9 | 178.2 | 11.2 | 0 | 0 | 110.6 | Q287 M291 | Q287-Q289 PolarHBondContact O-N 2.93Å; Q287-Q289 VanDerWaalsContact O-N 3.07Å; Q289-M291 PolarHBondContact O-N 3.42Å |
| 290 | R | 52.7 | Low | 54.7 | Low | 215 Ų | 215 | 139.6 Ų | 139.6 | 81% | 0.811 | 70% | 0.699 | S | S | * | * | | | trans | -61.9 | 100.8 | -169.7 | -164.5 | -179.5 | -167.6 | -142.5 | 6.9 | 111.4 | A288 T292 | A288-R290 PolarHBondContact O-N 2.83Å; R290-T292 PolarHBondContact O-N 3.07Å |
| 291 | M | 62.1 | Low | 55.3 | Low | 102 Ų | 102 | 135.9 Ų | 135.9 | 50% | 0.502 | 69% | 0.686 | S | S | . | * | | | trans | -46.4 | 128.6 | -176.6 | -75.4 | -75.1 | -98 | 0 | 0 | 112.7 | Q289 Q295 R296 | Q289-M291 PolarHBondContact O-N 3.42Å; M291-Q295 HydrophobicContact CE-CB 3.92Å; M291-Q295 HydrophobicContact CE-CG 4.33Å; M291-Q295 HydrophobicContact SD-CB 4.21Å; M291-Q295 VanDerWaalsContact SD-CD 3.58Å; M291-Q295 HydrophobicContact SD-CG 4.4Å; M291-Q295 PolarHBondContact SD-NE2 2.88Å; M291-Q295 VanDerWaalsContact SD-NE2 3.45Å; M291-R296 HydrophobicContact CB-CG 4.39Å; M291-R296 PolarHBondContact O-NE 3.25Å; M291-R296 PolarHBondContact O-NH2 3.07Å |
| 292 | T | 73.6 | Confident | 55.8 | Low | 77 Ų | 77 | 135.6 Ų | 135.6 | 47% | 0.472 | 68% | 0.677 | S | S | . | * | | | trans | -64.9 | 155.6 | -173.5 | 63.7 | 0 | 0 | 0 | 0 | 112.1 | R290 L294 Q295 R296 | R290-T292 PolarHBondContact O-N 3.07Å; T292-L294 PolarHBondContact O-N 3.14Å; T292-L294 VanDerWaalsContact O-N 3.1Å; T292-Q295 VanDerWaalsContact N-OE1 3.11Å; T292-Q295 PolarHBondContact O-N 3.34Å; T292-Q295 PolarHBondContact OG1-N 2.92Å; T292-Q295 PolarHBondContact OG1-OE1 3.41Å; T292-R296 PolarHBondContact O-N 3.49Å; T292-R296 VanDerWaalsContact O-N 3.1Å |
| 293 | R | 66.8 | Low | 56.3 | Low | 216 Ų | 216 | 131.3 Ų | 131.3 | 82% | 0.815 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -53.9 | -33.1 | 178.9 | -167.1 | -179.8 | -176.4 | -154.2 | 3.8 | 112.4 | R297 | R293-R297 WeakPolarHBondContact O-CG 3.15Å; R293-R297 PolarHBondContact O-N 3.17Å |
| 294 | L | 62.3 | Low | 56.7 | Low | 116 Ų | 116 | 125.7 Ų | 125.7 | 61% | 0.607 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72.9 | -40.3 | 176.9 | -175.9 | 60.2 | 0 | 0 | 0 | 112.9 | T292 R297 K298 | T292-L294 PolarHBondContact O-N 3.14Å; T292-L294 VanDerWaalsContact O-N 3.1Å; L294-R297 PolarHBondContact O-N 3.03Å; L294-K298 WeakPolarHBondContact O-CG 3.26Å; L294-K298 PolarHBondContact O-N 3.45Å; L294-K298 VanDerWaalsContact O-N 3.11Å |
| 295 | Q | 72.2 | Confident | 56.9 | Low | 86 Ų | 86 | 121.1 Ų | 121.1 | 40% | 0.402 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.6 | -42.6 | 175.4 | -77.9 | 162.9 | -58.3 | 0 | 0 | 111.6 | M291 T292 R297 K298 S299 | M291-Q295 HydrophobicContact CE-CB 3.92Å; M291-Q295 HydrophobicContact CE-CG 4.33Å; M291-Q295 HydrophobicContact SD-CB 4.21Å; M291-Q295 VanDerWaalsContact SD-CD 3.58Å; M291-Q295 HydrophobicContact SD-CG 4.4Å; M291-Q295 PolarHBondContact SD-NE2 2.88Å; M291-Q295 VanDerWaalsContact SD-NE2 3.45Å; T292-Q295 VanDerWaalsContact N-OE1 3.11Å; T292-Q295 PolarHBondContact O-N 3.34Å; T292-Q295 PolarHBondContact OG1-N 2.92Å; T292-Q295 PolarHBondContact OG1-OE1 3.41Å; Q295-R297 PolarHBondContact O-N 3.4Å; Q295-K298 PolarHBondContact O-N 3.18Å; Q295-K298 VanDerWaalsContact O-N 3.14Å; Q295-S299 PolarHBondContact O-N 3.31Å; Q295-S299 PolarHBondContact O-OG 2.93Å |
| 296 | R | 71.7 | Confident | 57.1 | Low | 117 Ų | 117 | 121.6 Ų | 121.6 | 44% | 0.442 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.2 | -42.5 | 177.5 | -59.6 | -172.4 | -151.2 | -173.2 | 5.7 | 112.7 | M291 T292 K298 S299 M300 | M291-R296 HydrophobicContact CB-CG 4.39Å; M291-R296 PolarHBondContact O-NE 3.25Å; M291-R296 PolarHBondContact O-NH2 3.07Å; T292-R296 PolarHBondContact O-N 3.49Å; T292-R296 VanDerWaalsContact O-N 3.1Å; R296-K298 VanDerWaalsContact C-N 3.29Å; R296-K298 PolarHBondContact O-N 2.73Å; R296-S299 PolarHBondContact O-N 3.05Å; R296-S299 PolarHBondContact O-OG 3.01Å; R296-M300 WeakPolarHBondContact O-CG 3.39Å; R296-M300 PolarHBondContact O-N 3.14Å |
| 297 | R | 67 | Low | 57.3 | Low | 178 Ų | 178 | 122.5 Ų | 122.5 | 67% | 0.672 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.8 | -36 | 174.5 | -68.9 | -175.6 | 86.5 | 177.5 | 8 | 111.9 | R293 L294 Q295 S301 | R293-R297 WeakPolarHBondContact O-CG 3.15Å; R293-R297 PolarHBondContact O-N 3.17Å; L294-R297 PolarHBondContact O-N 3.03Å; Q295-R297 PolarHBondContact O-N 3.4Å; R297-S301 VanDerWaalsContact O-CB 3.32Å; R297-S301 WeakPolarHBondContact O-CB 3.24Å; R297-S301 PolarHBondContact O-N 2.97Å; R297-S301 VanDerWaalsContact O-N 3.13Å |
| 298 | K | 64 | Low | 57.5 | Low | 138 Ų | 138 | 119.5 Ų | 119.5 | 60% | 0.6 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.9 | -39.5 | 175.7 | -74.9 | -173.9 | 175.2 | -172.2 | 0 | 113.2 | L294 Q295 R296 S301 L302 | L294-K298 WeakPolarHBondContact O-CG 3.26Å; L294-K298 PolarHBondContact O-N 3.45Å; L294-K298 VanDerWaalsContact O-N 3.11Å; Q295-K298 PolarHBondContact O-N 3.18Å; Q295-K298 VanDerWaalsContact O-N 3.14Å; R296-K298 VanDerWaalsContact C-N 3.29Å; R296-K298 PolarHBondContact O-N 2.73Å; K298-S301 PolarHBondContact O-N 3.47Å; K298-L302 PolarHBondContact O-N 2.9Å |
| 299 | S | 63.7 | Low | 57.4 | Low | 70 Ų | 70 | 125.9 Ų | 125.9 | 49% | 0.49 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.5 | -43.2 | 177.4 | 56.6 | 0 | 0 | 0 | 0 | 112.3 | Q295 R296 S301 L302 A303 | Q295-S299 PolarHBondContact O-N 3.31Å; Q295-S299 PolarHBondContact O-OG 2.93Å; R296-S299 PolarHBondContact O-N 3.05Å; R296-S299 PolarHBondContact O-OG 3.01Å; S299-S301 VanDerWaalsContact C-N 3.31Å; S299-S301 PolarHBondContact O-N 3.42Å; S299-L302 PolarHBondContact O-N 3.43Å; S299-A303 PolarHBondContact O-N 3.04Å |
| 300 | M | 56.9 | Low | 56.8 | Low | 136 Ų | 136 | 121.6 Ų | 121.6 | 67% | 0.67 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.2 | -40.2 | 173.9 | -68.8 | 173.9 | 72.6 | 0 | 0 | 112.2 | R296 L302 A303 A304 | R296-M300 WeakPolarHBondContact O-CG 3.39Å; R296-M300 PolarHBondContact O-N 3.14Å; M300-L302 PolarHBondContact O-N 2.84Å; M300-A303 PolarHBondContact O-N 3.43Å; M300-A304 PolarHBondContact O-N 2.87Å; M300-A304 VanDerWaalsContact O-N 3.16Å |
| 301 | S | 55.2 | Low | 56.1 | Low | 78 Ų | 78 | 116.9 Ų | 116.9 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.3 | -18.2 | 179.9 | -171.3 | 0 | 0 | 0 | 0 | 114.3 | R297 K298 S299 V305 | R297-S301 VanDerWaalsContact O-CB 3.32Å; R297-S301 WeakPolarHBondContact O-CB 3.24Å; R297-S301 PolarHBondContact O-N 2.97Å; R297-S301 VanDerWaalsContact O-N 3.13Å; K298-S301 PolarHBondContact O-N 3.47Å; S299-S301 VanDerWaalsContact C-N 3.31Å; S299-S301 PolarHBondContact O-N 3.42Å; S301-V305 WeakPolarHBondContact O-CG2 3.25Å |
| 302 | L | 50 | Low | 55.3 | Low | 114 Ų | 114 | 118.2 Ų | 118.2 | 60% | 0.597 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -86.2 | -44 | 173 | -75.7 | 166.6 | 0 | 0 | 0 | 111.3 | K298 S299 M300 A304 V305 H306 | K298-L302 PolarHBondContact O-N 2.9Å; S299-L302 PolarHBondContact O-N 3.43Å; M300-L302 PolarHBondContact O-N 2.84Å; L302-A304 VanDerWaalsContact C-N 3.31Å; L302-A304 PolarHBondContact O-N 3.41Å; L302-V305 PolarHBondContact O-N 3.03Å; L302-V305 VanDerWaalsContact O-N 3.14Å; L302-H306 PolarHBondContact O-CD2 3.02Å; L302-H306 VanDerWaalsContact O-CD2 3.32Å; L302-H306 PolarHBondContact O-N 3.02Å |
| 303 | A | 50.1 | Low | 53.3 | Low | 67 Ų | 67 | 119.7 Ų | 119.7 | 55% | 0.554 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -56.7 | -44.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S299 M300 V305 H306 S307 | S299-A303 PolarHBondContact O-N 3.04Å; M300-A303 PolarHBondContact O-N 3.43Å; A303-V305 VanDerWaalsContact C-N 3.3Å; A303-V305 PolarHBondContact O-N 2.69Å; A303-H306 PolarHBondContact O-N 3.44Å; A303-S307 PolarHBondContact O-N 2.79Å |
| 304 | A | 50.9 | Low | 52.4 | Low | 59 Ų | 59 | 115.3 Ų | 115.3 | 49% | 0.488 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -58.5 | -37.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | M300 L302 H306 S307 | M300-A304 PolarHBondContact O-N 2.87Å; M300-A304 VanDerWaalsContact O-N 3.16Å; L302-A304 VanDerWaalsContact C-N 3.31Å; L302-A304 PolarHBondContact O-N 3.41Å; A304-H306 VanDerWaalsContact C-N 3.35Å; A304-S307 PolarHBondContact O-N 2.75Å |
| 305 | V | 50 | Low | 51.1 | Low | 101 Ų | 101 | 115.7 Ų | 115.7 | 61% | 0.612 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.7 | -24.9 | -178.6 | 175.1 | 0 | 0 | 0 | 0 | 112.3 | S301 L302 A303 | S301-V305 WeakPolarHBondContact O-CG2 3.25Å; L302-V305 PolarHBondContact O-N 3.03Å; L302-V305 VanDerWaalsContact O-N 3.14Å; A303-V305 VanDerWaalsContact C-N 3.3Å; A303-V305 PolarHBondContact O-N 2.69Å |
| 306 | H | 45.8 | Very low | 49.6 | Very low | 135 Ų | 135 | 121.1 Ų | 121.1 | 63% | 0.625 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -82.4 | -26.9 | 175.5 | -75.8 | -74.8 | 0 | 0 | 0 | 113.5 | L302 A303 A304 | L302-H306 PolarHBondContact O-CD2 3.02Å; L302-H306 VanDerWaalsContact O-CD2 3.32Å; L302-H306 PolarHBondContact O-N 3.02Å; A303-H306 PolarHBondContact O-N 3.44Å; A304-H306 VanDerWaalsContact C-N 3.35Å |
| 307 | S | 42.6 | Very low | 48.4 | Very low | 90 Ų | 90 | 123.5 Ų | 123.5 | 63% | 0.629 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -63.3 | -43.5 | 177 | 178.2 | 0 | 0 | 0 | 0 | 112.9 | A303 A304 R309 S310 | A303-S307 PolarHBondContact O-N 2.79Å; A304-S307 PolarHBondContact O-N 2.75Å; S307-R309 PolarHBondContact O-N 2.82Å; S307-S310 PolarHBondContact O-N 2.77Å |
| 308 | V | 48.3 | Very low | 47 | Very low | 135 Ų | 135 | 121 Ų | 121 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 5.1 | -175.9 | -164.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 309 | R | 45.3 | Very low | 46 | Very low | 225 Ų | 225 | 120.6 Ų | 120.6 | 85% | 0.849 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | 4.8 | -178.4 | -129.4 | 176 | -171.6 | 176.9 | 2.5 | 115.4 | S307 | S307-R309 PolarHBondContact O-N 2.82Š|
| 310 | S | 41.7 | Very low | 44.8 | Very low | 99 Ų | 99 | 123.5 Ų | 123.5 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | | | trans | -112.6 | 28.2 | -171.1 | -57.2 | 0 | 0 | 0 | 0 | 114.4 | S307 | S307-S310 PolarHBondContact O-N 2.77Š|
| 311 | S | 37.2 | Very low | 44.1 | Very low | 115 Ų | 115 | 123 Ų | 123 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | | | trans | -108.4 | 99.2 | 174.1 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 312 | T | 46.3 | Very low | 43.1 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | trans | -141.5 | 90.3 | -179.7 | 55.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 313 | S | 31.2 | Very low | 42.4 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | | | trans | -157.2 | 118.7 | 145.8 | -168.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 314 | P | 47.6 | Very low | 41.8 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | | | trans | -96.5 | 105.5 | -177.4 | 34.2 | -30.5 | 0 | 0 | 0 | 112.5 | | |
| 315 | V | 36.1 | Very low | 41.2 | Very low | 125 Ų | 125 | 138 Ų | 138 | 76% | 0.758 | 78% | 0.775 | S | S | * | * | | | trans | -74.9 | 127.1 | 167.3 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | M317 | V315-M317 PolarHBondContact O-N 3.43Š|
| 316 | K | 39.2 | Very low | 40.5 | Very low | 200 Ų | 200 | 141 Ų | 141 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | | | trans | -76.6 | 117 | 172.8 | -78.1 | -178.6 | 175.5 | 177.4 | 0 | 110.3 | | |
| 317 | M | 47.2 | Very low | 39.8 | Very low | 166 Ų | 166 | 141 Ų | 141 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -109.8 | 131 | 160.8 | -65 | -58 | -72.2 | 0 | 0 | 109.7 | V315 | V315-M317 PolarHBondContact O-N 3.43Š|
| 318 | T | 37.6 | Very low | 39.5 | Very low | 125 Ų | 125 | 145.6 Ų | 145.6 | 77% | 0.767 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 139.4 | 177.4 | 42.5 | 0 | 0 | 0 | 0 | 111.4 | V320 | T318-V320 PolarHBondContact O-N 3.22Š|
| 319 | P | 42.7 | Very low | 39.2 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 126.3 | 179.8 | -17.2 | 30.9 | 0 | 0 | 0 | 112.5 | | |
| 320 | V | 38.7 | Very low | 38.7 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 134.6 | 166.7 | 178.4 | 0 | 0 | 0 | 0 | 108.6 | T318 | T318-V320 PolarHBondContact O-N 3.22Š|
| 321 | P | 41.9 | Very low | 38.3 | Very low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 133.5 | -172.1 | 27.1 | -34.9 | 0 | 0 | 0 | 113.1 | | |
| 322 | R | 34.8 | Very low | 38.3 | Very low | 241 Ų | 241 | 139.6 Ų | 139.6 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 120.5 | 174.7 | -175.9 | 176.9 | -175.5 | 159.3 | 2.6 | 110 | | |
| 323 | S | 36 | Very low | 38 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 143.1 | 176.9 | 44.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 324 | Q | 36.5 | Very low | 38.1 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 145.2 | 173.2 | -73.2 | -75.7 | 1.8 | 0 | 0 | 110.1 | | |
| 325 | P | 39.3 | Very low | 37.6 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 127.5 | 174.6 | 33.2 | -31.3 | 0 | 0 | 0 | 111.3 | | |
| 326 | I | 33.6 | Very low | 37.6 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | | | trans | -131 | 146.3 | 170.1 | -70.4 | -174.7 | 0 | 0 | 0 | 110.2 | | |
| 327 | N | 31.2 | Very low | 37.3 | Very low | 135 Ų | 135 | 142 Ų | 142 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | | | trans | -80.1 | 151.9 | -175.3 | -75.9 | -85.3 | 0 | 0 | 0 | 113.5 | | |
| 328 | K | 36.3 | Very low | 36.9 | Very low | 188 Ų | 188 | 143.3 Ų | 143.3 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | | | trans | -0 | 158.3 | 146.7 | -41 | 174.9 | -176 | 177.7 | 0 | 118.5 | | |
| 329 | P | 42 | Very low | 36.4 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | | | | -137.9 | 177.8 | -50.2 | 40.2 | -24.9 | 0 | 0 | 0 | 111.8 | | |
| 330 | P | 36.3 | Very low | 36 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | trans | -124.5 | 145.6 | 155.5 | 35.9 | -25.4 | 0 | 0 | 0 | 114.6 | | |
| 331 | S | 33.3 | Very low | 35.6 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | | | trans | -51.3 | 142.5 | 173.6 | -178.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 332 | G | 35.5 | Very low | 35.3 | Very low | 66 Ų | 66 | 149 Ų | 149 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | | | trans | 160 | 128.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 333 | P | 40.6 | Very low | 35.4 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -96.7 | 136.5 | -168.2 | 35.3 | -33.7 | 0 | 0 | 0 | 115 | | |
| 334 | V | 34.5 | Very low | 35.8 | Very low | 140 Ų | 140 | 145.5 Ų | 145.5 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | trans | -134.9 | 129.1 | 154.8 | -179.6 | 0 | 0 | 0 | 0 | 108 | | |
| 335 | Q | 35.7 | Very low | 36.5 | Very low | 179 Ų | 179 | 144.8 Ų | 144.8 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | | | trans | -100.2 | 125.1 | 175.9 | -64.6 | 178.3 | -0.1 | 0 | 0 | 110.2 | | |
| 336 | I | 36.3 | Very low | 36.8 | Very low | 163 Ų | 163 | 148 Ų | 148 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | | | trans | -137.3 | 127.5 | 153.7 | -61.2 | -175.6 | 0 | 0 | 0 | 107.6 | | |
| 337 | T | 32.7 | Very low | 37.3 | Very low | 128 Ų | 128 | 145.9 Ų | 145.9 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -91.6 | 151.1 | 177.8 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 338 | K | 38.8 | Very low | 37.5 | Very low | 194 Ų | 194 | 150.8 Ų | 150.8 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | -56.3 | 152 | -178.5 | -49.9 | 170 | -175 | 175.4 | 0 | 113.1 | | |
| 339 | I | 28.7 | Very low | 37.4 | Very low | 177 Ų | 177 | 148.1 Ų | 148.1 | 91% | 0.908 | 80% | 0.802 | S | S | * | * | | | trans | -152.4 | 158.4 | 130.9 | -100.8 | 147.3 | 0 | 0 | 0 | 108.1 | | |
| 340 | S | 32.2 | Very low | 36.9 | Very low | 90 Ų | 90 | 147.2 Ų | 147.2 | 63% | 0.629 | 81% | 0.805 | S | S | * | * | | | trans | -119.5 | 150.7 | -176.3 | 170.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 341 | H | 31.8 | Very low | 36.8 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | | | trans | -155.8 | 144.8 | 137.3 | -89.3 | 24.4 | 0 | 0 | 0 | 104.8 | | |
| 342 | R | 35.2 | Very low | 36.9 | Very low | 190 Ų | 190 | 146.4 Ų | 146.4 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | | | cis | 66.6 | 78.2 | 26.6 | -84.6 | -78 | -173.3 | 169.2 | 1.4 | 114 | D344 | R342-D344 IonicContact CZ-OD2 3.41Å; R342-D344 IonicContact NH1-OD2 2.75Å; R342-D344 PolarHBondContact NH1-OD2 3.09Å |
| 343 | D | 37.8 | Very low | 36.7 | Very low | 162 Ų | 162 | 149 Ų | 149 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | | | trans | -111.7 | 138.7 | 148.3 | -79.9 | -59.7 | 0 | 0 | 0 | 108.7 | | |
| 344 | D | 43.3 | Very low | 36.1 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 63% | 0.626 | 80% | 0.797 | S | S | * | * | | | trans | -134.9 | 126.8 | -170.4 | -138.2 | -38.7 | 0 | 0 | 0 | 107.5 | R342 F346 | R342-D344 IonicContact CZ-OD2 3.41Å; R342-D344 IonicContact NH1-OD2 2.75Å; R342-D344 PolarHBondContact NH1-OD2 3.09Å; D344-F346 PolarHBondContact O-N 2.88Å; D344-F346 VanDerWaalsContact O-N 3.17Å |
| 345 | I | 51.3 | Low | 36 | Very low | 152 Ų | 152 | 146 Ų | 146 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -88 | 98.7 | -165.2 | -63.2 | 178.4 | 0 | 0 | 0 | 110.1 | | |
| 346 | F | 46.8 | Very low | 35.8 | Very low | 183 Ų | 183 | 144 Ų | 144 | 80% | 0.803 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 84.6 | 152 | 176.2 | -59.7 | -59.6 | 0 | 0 | 0 | 117.1 | D344 | D344-F346 PolarHBondContact O-N 2.88Å; D344-F346 VanDerWaalsContact O-N 3.17Å |
| 347 | P | 42.7 | Very low | 35.5 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | trans | -104.3 | 168.4 | -135 | 38.7 | -38.2 | 0 | 0 | 0 | 115.8 | | |
| 348 | R | 35.3 | Very low | 35.5 | Very low | 239 Ų | 239 | 143 Ų | 143 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | | | trans | -121.4 | 152.7 | 155.9 | -77.7 | -170.8 | 171.3 | -135.3 | -2.4 | 111.3 | | |
| 349 | P | 34 | Very low | 35.1 | Very low | 132 Ų | 132 | 140 Ų | 140 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | | | trans | -70 | 143.7 | -173.5 | -17.8 | 32.5 | 0 | 0 | 0 | 112.9 | | |
| 350 | A | 32.8 | Very low | 35.2 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -92.7 | 147.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 351 | V | 32.9 | Very low | 35 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | trans | -104.1 | 130.3 | 164.5 | -177.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 352 | P | 36.6 | Very low | 35 | Very low | 108 Ų | 108 | 139 Ų | 139 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | | | trans | -94.2 | 140.2 | -167.5 | 34.7 | -34.5 | 0 | 0 | 0 | 113.8 | | |
| 353 | S | 31.4 | Very low | 34.7 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | | | | 166.1 | 131.4 | 105.1 | -73.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 354 | G | 28.2 | Very low | 34.3 | Very low | 71 Ų | 71 | 136 Ų | 136 | 73% | 0.732 | 75% | 0.753 | S | S | * | * | | | trans | 110.2 | 147.2 | 149.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 355 | V | 30.9 | Very low | 33.7 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | | | cis | -157.2 | 123.4 | -11.5 | 148.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 356 | V | 32.4 | Very low | 32.7 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | | | trans | 58.9 | 156.6 | 152.6 | 169.4 | 0 | 0 | 0 | 0 | 119 | | |
| 357 | N | 29.5 | Very low | 32.1 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | | | cis | -174.1 | 173.3 | -38.9 | -167 | 2 | 0 | 0 | 0 | 107.6 | | |
| 358 | I | 33.7 | Very low | 31.7 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 68% | 0.677 | 74% | 0.74 | S | S | * | * | | | trans | 79.8 | 104.4 | 157.1 | -58.1 | -178.7 | 0 | 0 | 0 | 120.2 | | |
| 359 | N | 28.7 | Very low | 31.5 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | | | trans | 53.5 | 131.8 | 130.8 | -70.8 | -39.2 | 0 | 0 | 0 | 126.3 | | |
| 360 | Q | 31.1 | Very low | 31.7 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | | | | 81 | 132.6 | 128.2 | -77.8 | -167.7 | 45.1 | 0 | 0 | 124.8 | | |
| 361 | N | 29.7 | Very low | 31.7 | Very low | 111 Ų | 111 | 135 Ų | 135 | 59% | 0.594 | 73% | 0.728 | S | S | * | * | | | trans | 63.5 | 113.5 | 137 | -82.8 | -52.2 | 0 | 0 | 0 | 123.2 | | |
| 362 | Q | 30 | Very low | 32 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | | | | 60.6 | 130.2 | 120.9 | -76.6 | -170 | 77.8 | 0 | 0 | 123.3 | | |
| 363 | L | 30.4 | Very low | 31.6 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 64% | 0.644 | 73% | 0.725 | S | S | * | * | | | trans | 88.8 | 131.9 | 132.8 | -105.2 | 58.2 | 0 | 0 | 0 | 123.1 | | |
| 364 | K | 29.3 | Very low | 31.8 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | | | trans | 79.2 | 100.9 | 133.5 | -91.8 | 171.9 | -170.2 | 172.6 | 0 | 122.4 | | |
| 365 | T | 29.1 | Very low | 32.8 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 66% | 0.656 | 72% | 0.72 | S | S | * | * | | | | 66.7 | 141.3 | 115.5 | 57.1 | 0 | 0 | 0 | 0 | 123.1 | | |
| 366 | Q | 32 | Very low | 33 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 72% | 0.715 | 72% | 0.716 | S | S | * | * | | | trans | 73.6 | 151.1 | 141.9 | -81.1 | -169.1 | 103.4 | 0 | 0 | 118.2 | | |
| 367 | Q | 32.6 | Very low | 33.2 | Very low | 135 Ų | 135 | 139 Ų | 139 | 63% | 0.631 | 71% | 0.707 | S | S | * | * | | | cis | -165 | 161.6 | -23.5 | -133.9 | -178.6 | 42.7 | 0 | 0 | 111 | | |
| 368 | Q | 35.2 | Very low | 33.1 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | | | trans | 68.8 | 156 | 150 | -71 | -171.5 | 48.2 | 0 | 0 | 123.1 | | |
| 369 | Q | 31.5 | Very low | 32.9 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | | | trans | 98.4 | 142.5 | 152.8 | -50 | -160.2 | 18.7 | 0 | 0 | 119 | | |
| 370 | K | 38.4 | Very low | 33 | Very low | 181 Ų | 181 | 138.5 Ų | 138.5 | 79% | 0.787 | 71% | 0.709 | S | S | * | * | | | cis | -176.3 | 163.8 | -42.5 | 173 | 170.4 | 175.6 | -175.7 | 0 | 107.4 | | |
| 371 | T | 32.8 | Very low | 32.8 | Very low | 116 Ų | 116 | 139 Ų | 139 | 71% | 0.712 | 72% | 0.715 | S | S | * | * | | | trans | 81.5 | 152.1 | 175.7 | 80.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 372 | L | 37.7 | Very low | 32.8 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | | | cis | -156 | 178.5 | -9.6 | -136.2 | 43.5 | 0 | 0 | 0 | 106.8 | | |
| 373 | I | 29.4 | Very low | 32.9 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 70% | 0.703 | 73% | 0.732 | S | S | * | * | | | cis | -141.6 | -118.6 | 6.6 | -173 | 153 | 0 | 0 | 0 | 111.9 | | |
| 374 | F | 35 | Very low | 33.5 | Very low | 184 Ų | 184 | 137 Ų | 137 | 81% | 0.807 | 73% | 0.729 | S | S | * | * | | | trans | -165.1 | 177.6 | -167 | -95.1 | -63.7 | 0 | 0 | 0 | 107.7 | | |
| 375 | P | 50.3 | Low | 33.4 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 66% | 0.656 | 74% | 0.737 | S | S | * | * | | | cis | -140.5 | 165.9 | 19.8 | 44.6 | -26.5 | 0 | 0 | 0 | 118.7 | | |
| 376 | T | 35.2 | Very low | 33.4 | Very low | 116 Ų | 116 | 136 Ų | 136 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | | | trans | 52.2 | 147 | 141.6 | 52.6 | 0 | 0 | 0 | 0 | 122.4 | | |
| 377 | T | 35.4 | Very low | 33.4 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 66% | 0.656 | 75% | 0.748 | S | S | * | * | | | cis | -158.6 | 144.3 | 4 | 10.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 378 | D | 27.9 | Very low | 33.3 | Very low | 131 Ų | 131 | 132 Ų | 132 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | trans | 50.7 | 129.5 | 131.8 | -52.6 | -13.9 | 0 | 0 | 0 | 124.9 | | |
| 379 | E | 30.2 | Very low | 33.9 | Very low | 187 Ų | 187 | 130.6 Ų | 130.6 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | | | trans | 64.7 | 151.8 | 130 | -68.1 | -164.2 | 149.4 | 0 | 0 | 122.6 | | |
| 380 | A | 29.1 | Very low | 34.6 | Very low | 72 Ų | 72 | 127 Ų | 127 | 60% | 0.595 | 75% | 0.746 | S | S | * | * | | | cis | -161.9 | 161.4 | -17.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 381 | I | 28.4 | Very low | 34.4 | Very low | 170 Ų | 170 | 121.4 Ų | 121.4 | 87% | 0.872 | 72% | 0.722 | S | S | * | * | | | trans | 23.2 | 118 | 144.2 | -53.6 | 162.4 | 0 | 0 | 0 | 118.6 | | |
| 382 | A | 28.3 | Very low | 34.4 | Very low | 98 Ų | 98 | 121.3 Ų | 121.3 | 81% | 0.81 | 71% | 0.709 | S | S | * | * | | | | -174.7 | 139.7 | 124.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 383 | N | 33.3 | Very low | 34.3 | Very low | 154 Ų | 154 | 122.8 Ų | 122.8 | 82% | 0.824 | 70% | 0.704 | S | S | * | * | | | trans | -125.6 | 135.3 | 157.8 | -167.3 | 0.5 | 0 | 0 | 0 | 105 | | |
| 384 | P | 42.2 | Very low | 34.6 | Very low | 90 Ų | 90 | 121.2 Ų | 121.2 | 58% | 0.584 | 71% | 0.705 | S | S | * | * | | | | -153.1 | -179.4 | 109.5 | 40.3 | -22.9 | 0 | 0 | 0 | 115 | | |
| 385 | Q | 28.1 | Very low | 34.6 | Very low | 189 Ų | 189 | 119.4 Ų | 119.4 | 88% | 0.883 | 71% | 0.709 | S | S | * | * | | | trans | 28.1 | 137.3 | 141.7 | -64.3 | 163.1 | -29.8 | 0 | 0 | 119.6 | | |
| 386 | G | 27.8 | Very low | 33.7 | Very low | 61 Ų | 61 | 118 Ų | 118 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | | | cis | 133.4 | -176.5 | 17.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 387 | S | 31.9 | Very low | 34 | Very low | 139 Ų | 139 | 124.2 Ų | 124.2 | 97% | 0.972 | 72% | 0.724 | S | S | * | * | | | trans | 68.6 | 173 | 179.7 | 83 | 0 | 0 | 0 | 0 | 116.7 | | |
| 388 | G | 31.5 | Very low | 35.1 | Very low | 66 Ų | 66 | 124.1 Ų | 124.1 | 68% | 0.68 | 73% | 0.725 | S | S | * | * | | | trans | -132.1 | -146.4 | -159.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 389 | P | 48.3 | Very low | 36.3 | Very low | 121 Ų | 121 | 124 Ų | 124 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | | | trans | -85.5 | -176.1 | -161.2 | 41.8 | -42.8 | 0 | 0 | 0 | 112.5 | | |
| 390 | P | 46.6 | Very low | 37 | Very low | 99 Ų | 99 | 124.1 Ų | 124.1 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | | | cis | -151.7 | -161.8 | 18.8 | 43.4 | -19.9 | 0 | 0 | 0 | 118.2 | | |
| 391 | Q | 33.8 | Very low | 37.3 | Very low | 63 Ų | 63 | 130.5 Ų | 130.5 | 29% | 0.294 | 74% | 0.743 | S | S | . | * | | | trans | 86.8 | 111.5 | 141 | -81 | -77.6 | -104.4 | 0 | 0 | 125.6 | S792 A793 N794 | Q391-S792 PolarHBondContact OE1-OG 3.03Å; Q391-A793 PolarHBondContact NE2-O 2.88Å; Q391-N794 PolarHBondContact NE2-OD1 3.22Å |
| 392 | R | 32.9 | Very low | 37.8 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 43% | 0.43 | 74% | 0.742 | S | S | . | * | | | | 90.9 | 112.8 | 115.6 | -139.7 | 178.8 | -132 | -131.2 | 7.1 | 123.1 | S792 N794 | R392-S792 PolarHBondContact NH2-O 3.49Å; R392-S792 PolarHBondContact NH2-OG 3.32Å; R392-N794 PolarHBondContact N-ND2 3.32Å |
| 393 | R | 35.8 | Very low | 38.9 | Very low | 180 Ų | 180 | 130.3 Ų | 130.3 | 68% | 0.679 | 74% | 0.735 | S | S | * | * | | | trans | 54.3 | 150 | 138.7 | -60.1 | 175.3 | -157.8 | -175.4 | 3.3 | 119.9 | | |
| 394 | S | 34.6 | Very low | 39.1 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | | | cis | -159 | -153.2 | -3.4 | 31.2 | 0 | 0 | 0 | 0 | 108 | | |
| 395 | V | 34.8 | Very low | 38.7 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 89% | 0.885 | 74% | 0.738 | S | S | * | * | | | cis | -161.3 | 174.6 | 13.8 | -131.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 396 | G | 31.6 | Very low | 38.8 | Very low | 73 Ų | 73 | 128.7 Ų | 128.7 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | | | trans | 152.6 | 131 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 397 | R | 41.9 | Very low | 38.8 | Very low | 245 Ų | 245 | 135.5 Ų | 135.5 | 93% | 0.925 | 73% | 0.73 | S | S | * | * | | | trans | -174.9 | 170.3 | 172 | -116 | -171.1 | -177.7 | -152.1 | 2 | 108.8 | | |
| 398 | P | 58.1 | Low | 38.7 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | | | cis | -122.2 | -151.7 | -13.8 | 37.1 | -14.9 | 0 | 0 | 0 | 110.9 | | |
| 399 | P | 52.8 | Low | 38.6 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 83% | 0.831 | 72% | 0.722 | S | S | * | * | | | | -140 | -164.8 | 69 | 32 | -8.7 | 0 | 0 | 0 | 115.3 | | |
| 400 | K | 46.2 | Very low | 37.7 | Very low | 191 Ų | 191 | 136.8 Ų | 136.8 | 83% | 0.83 | 72% | 0.72 | S | S | * | * | | | trans | -130.6 | 166.4 | -174.5 | -51.3 | 172.5 | -179.3 | 174.3 | 0 | 112.2 | | |
| 401 | K | 34.7 | Very low | 37.6 | Very low | 206 Ų | 206 | 137 Ų | 137 | 90% | 0.896 | 72% | 0.721 | S | S | * | * | | | trans | -153.6 | 171.4 | 131 | -79.4 | -143.9 | 178.1 | 179.3 | 0 | 112.5 | | |
| 402 | L | 38.7 | Very low | 37.3 | Very low | 161 Ų | 161 | 142 Ų | 142 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | | | trans | -149.2 | -178.1 | -173.4 | -85.2 | 176.6 | 0 | 0 | 0 | 107 | | |
| 403 | P | 51.8 | Low | 37.1 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | | | cis | -152.3 | -171.3 | 23.5 | 46.6 | -25.3 | 0 | 0 | 0 | 119.3 | | |
| 404 | M | 36.8 | Very low | 36.9 | Very low | 167 Ų | 167 | 141 Ų | 141 | 82% | 0.823 | 76% | 0.759 | S | S | * | * | | | trans | 67.4 | 152.9 | 151 | -79 | 175.3 | 69.6 | 0 | 0 | 120.2 | | |
| 405 | V | 34.4 | Very low | 36.7 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 65% | 0.648 | 76% | 0.759 | S | S | * | * | | | cis | -175.5 | 174.1 | -21.2 | 81.2 | 0 | 0 | 0 | 0 | 108 | | |
| 406 | Q | 29.5 | Very low | 36.3 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 59% | 0.589 | 76% | 0.756 | S | S | * | * | | | cis | -164.2 | 169 | -6.2 | -150.2 | -177.5 | 121.2 | 0 | 0 | 108.7 | | |
| 407 | R | 27.7 | Very low | 37.1 | Very low | 203 Ų | 203 | 145 Ų | 145 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | | | trans | 69.2 | 157.4 | 154.9 | -76.3 | -176.1 | -159.8 | 179.1 | 7.2 | 119.4 | | |
| 408 | I | 30.9 | Very low | 36.5 | Very low | 139 Ų | 139 | 142 Ų | 142 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | | | cis | -166.5 | 161.8 | -27.1 | -148 | 177.8 | 0 | 0 | 0 | 110.6 | | |
| 409 | V | 29.8 | Very low | 35.1 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | | | trans | 67.2 | 148.5 | 160.3 | 168.8 | 0 | 0 | 0 | 0 | 119.9 | | |
| 410 | A | 29.3 | Very low | 35.1 | Very low | 89 Ų | 89 | 140 Ų | 140 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | | | trans | -132.2 | 152.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 411 | P | 44.4 | Very low | 34.5 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | | | | -155.9 | -158.8 | 84.5 | 41.2 | -19.8 | 0 | 0 | 0 | 114.5 | | |
| 412 | E | 27 | Very low | 34.3 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | | | trans | 66.7 | 172 | 156.1 | -71.9 | -175.6 | 134.5 | 0 | 0 | 119.2 | | |
| 413 | T | 28.7 | Very low | 34.1 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 61% | 0.613 | 71% | 0.712 | S | S | * | * | | | | -158.1 | 168.5 | -61 | 41.1 | 0 | 0 | 0 | 0 | 106.9 | | |
| 414 | Q | 30.6 | Very low | 33.2 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | | | trans | 64.6 | 167.9 | 168.5 | -61.4 | 178.6 | 43.1 | 0 | 0 | 114.4 | | |
| 415 | T | 31.3 | Very low | 33.1 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 72% | 0.718 | 72% | 0.718 | S | S | * | * | | | cis | -153.4 | 172.4 | -28.7 | 26.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 416 | K | 27.1 | Very low | 33 | Very low | 190 Ų | 190 | 135.6 Ų | 135.6 | 83% | 0.826 | 72% | 0.723 | S | S | * | * | | | trans | -54.6 | 169.1 | 155.1 | -107.1 | -174.2 | 171.6 | -178.1 | 0 | 111.4 | | |
| 417 | P | 47.3 | Very low | 33.2 | Very low | 101 Ų | 101 | 135.1 Ų | 135.1 | 66% | 0.656 | 73% | 0.729 | S | S | * | * | | | cis | -114.8 | -132.5 | 4.4 | 25.1 | 0.3 | 0 | 0 | 0 | 110.5 | | |
| 418 | Q | 28.9 | Very low | 33.3 | Very low | 180 Ų | 180 | 132.5 Ų | 132.5 | 84% | 0.841 | 73% | 0.729 | S | S | * | * | | | cis | -156.6 | -173.2 | -2.3 | -151.2 | 170.2 | -99.1 | 0 | 0 | 111.2 | | |
| 419 | S | 28.8 | Very low | 33.2 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 63% | 0.629 | 73% | 0.73 | S | S | * | * | | | trans | -133.3 | -165.4 | 173.9 | 63.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 420 | P | 53.7 | Low | 33.5 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 66% | 0.656 | 73% | 0.734 | S | S | * | * | | | cis | -130.4 | -145.4 | -17 | 25.5 | 1.1 | 0 | 0 | 0 | 111.2 | | |
| 421 | I | 33.9 | Very low | 34.1 | Very low | 154 Ų | 154 | 133 Ų | 133 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | | | trans | 80.8 | 149.6 | 155 | -63.3 | 161.9 | 0 | 0 | 0 | 117.6 | | |
| 422 | N | 30.5 | Very low | 33.4 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | | | cis | -171.6 | 172.3 | -39.5 | -157.1 | -8.5 | 0 | 0 | 0 | 110 | | |
| 423 | T | 32.9 | Very low | 33.5 | Very low | 90 Ų | 90 | 132 Ų | 132 | 55% | 0.552 | 74% | 0.738 | S | S | * | * | | | trans | 65.5 | 119.1 | 150.2 | 44.3 | 0 | 0 | 0 | 0 | 124.1 | | |
| 424 | K | 33.3 | Very low | 33.4 | Very low | 191 Ų | 191 | 132.7 Ų | 132.7 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | | | trans | 70.6 | 161.8 | 136.2 | -55 | 168 | -176.7 | 177.7 | 0 | 116.6 | | |
| 425 | V | 34.3 | Very low | 33.3 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | cis | -134.7 | 170.2 | 15.8 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 426 | L | 32.8 | Very low | 33.1 | Very low | 145 Ų | 145 | 129.1 Ų | 129.1 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | | | trans | -48.4 | 162.2 | 173.8 | -73.2 | 76.4 | 0 | 0 | 0 | 114.9 | | |
| 427 | T | 33.4 | Very low | 33.1 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | | | | -170.7 | 123.8 | 69.4 | -60.3 | 0 | 0 | 0 | 0 | 116 | | |
| 428 | I | 31.5 | Very low | 32.2 | Very low | 149 Ų | 149 | 125.1 Ų | 125.1 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | | | trans | 44.7 | 128.1 | 146.8 | -55.1 | 170.4 | 0 | 0 | 0 | 120.7 | | |
| 429 | G | 28.8 | Very low | 32.1 | Very low | 72 Ų | 72 | 124 Ų | 124 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | | | trans | -144.4 | -30.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 430 | K | 34.8 | Very low | 32.2 | Very low | 191 Ų | 191 | 126.3 Ų | 126.3 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | | | trans | 63.8 | 159.3 | 177.7 | -71.5 | -178.6 | 177.5 | 178.4 | 0 | 117.4 | | |
| 431 | P | 43.2 | Very low | 31.1 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | | | cis | -135.9 | 179.3 | -33.1 | 38.9 | -22.7 | 0 | 0 | 0 | 114.4 | | |
| 432 | T | 27.8 | Very low | 30.9 | Very low | 132 Ų | 132 | 127.9 Ų | 127.9 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | trans | 65.9 | 139.3 | 162 | 52.5 | 0 | 0 | 0 | 0 | 119 | | |
| 433 | S | 29 | Very low | 30.9 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | | | cis | -157.5 | 162.4 | -9.9 | 51 | 0 | 0 | 0 | 0 | 112.2 | | |
| 434 | S | 27.1 | Very low | 30.6 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -165.6 | 178 | -178.7 | 62.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 435 | V | 28.3 | Very low | 30.5 | Very low | 129 Ų | 129 | 128.9 Ų | 128.9 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | | | cis | -156.6 | 159.9 | 12.9 | 74.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 436 | A | 28.6 | Very low | 30.4 | Very low | 85 Ų | 85 | 132.3 Ų | 132.3 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | | | trans | 75.5 | 154.1 | 154 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 437 | S | 26.9 | Very low | 30.4 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | trans | 11.2 | 123.4 | 152 | -50.2 | 0 | 0 | 0 | 0 | 121 | | |
| 438 | G | 27.8 | Very low | 30.3 | Very low | 81 Ų | 81 | 132.6 Ų | 132.6 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | | | trans | -170.7 | 141.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 439 | N | 27.7 | Very low | 30.3 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | | | trans | -95.2 | -179.3 | 167 | -169.6 | 10.6 | 0 | 0 | 0 | 109.1 | | |
| 440 | I | 30.5 | Very low | 30.4 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | | | trans | 108.7 | 107.2 | 162.6 | -57.8 | 164.6 | 0 | 0 | 0 | 116.4 | | |
| 441 | N | 29.5 | Very low | 30.3 | Very low | 139 Ų | 139 | 130.7 Ų | 130.7 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | | | trans | 59.9 | 121.9 | 142.5 | -57.2 | -3.7 | 0 | 0 | 0 | 124 | | |
| 442 | N | 29.9 | Very low | 29.6 | Very low | 148 Ų | 148 | 131 Ų | 131 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | trans | 25.9 | 125 | 131.4 | -59.3 | -9.2 | 0 | 0 | 0 | 120.8 | | |
| 443 | I | 30.6 | Very low | 29.9 | Very low | 177 Ų | 177 | 132.5 Ų | 132.5 | 91% | 0.908 | 80% | 0.798 | S | S | * | * | | | | -166.8 | 158.2 | 105.6 | -97.7 | 159.1 | 0 | 0 | 0 | 110.5 | | |
| 444 | A | 27.3 | Very low | 29.9 | Very low | 84 Ų | 84 | 132.8 Ų | 132.8 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | | | trans | -77.3 | 163.9 | -165 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 445 | I | 31.6 | Very low | 30 | Very low | 176 Ų | 176 | 132.3 Ų | 132.3 | 90% | 0.903 | 80% | 0.797 | S | S | * | * | | | | -161.1 | 163.4 | 123.5 | -98.7 | 153.8 | 0 | 0 | 0 | 110.2 | | |
| 446 | K | 30.9 | Very low | 30.1 | Very low | 200 Ų | 200 | 131.1 Ų | 131.1 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | | | trans | -91.8 | 141.4 | -162.1 | -48.1 | 161.1 | -177.2 | 173.1 | 0 | 113.7 | | |
| 447 | S | 33.2 | Very low | 30.2 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -177.6 | 114.9 | 133.4 | 57.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 448 | N | 32.3 | Very low | 30.3 | Very low | 151 Ų | 151 | 132.4 Ų | 132.4 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | | | trans | 30.7 | 119.9 | 144.5 | -69.6 | 10.3 | 0 | 0 | 0 | 124.5 | | |
| 449 | V | 30.5 | Very low | 30.5 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | | 80.7 | 154.8 | 128.5 | -176.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 450 | V | 31 | Very low | 30.7 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | | | trans | 99.5 | 87.7 | 172.1 | -168.2 | 0 | 0 | 0 | 0 | 117.8 | | |
| 451 | T | 32.1 | Very low | 30.7 | Very low | 118 Ų | 118 | 134 Ų | 134 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | | | | 59.4 | 102.6 | 123.5 | -46.1 | 0 | 0 | 0 | 0 | 122 | | |
| 452 | S | 30 | Very low | 30.8 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | | | trans | 57.8 | 158.2 | 131.2 | -41.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 453 | I | 33.3 | Very low | 31.1 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | | | cis | -132.9 | 147.3 | 7.8 | -57.4 | 163.8 | 0 | 0 | 0 | 108.2 | | |
| 454 | S | 28.3 | Very low | 31.1 | Very low | 123 Ų | 123 | 133 Ų | 133 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | -104.4 | 153.2 | 171.6 | -69.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 455 | S | 29.2 | Very low | 31.4 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | | | trans | -101.2 | 142.9 | 175.3 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 456 | S | 30.6 | Very low | 31.2 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | 55.1 | 117.6 | 143.8 | -53.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 457 | T | 31.1 | Very low | 31.3 | Very low | 140 Ų | 140 | 131.4 Ų | 131.4 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | | | trans | 66.7 | 115.6 | 134.6 | -43.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 458 | A | 29.8 | Very low | 31.1 | Very low | 98 Ų | 98 | 131.4 Ų | 131.4 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | | | trans | -150.3 | 149.5 | 151 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 459 | T | 31.3 | Very low | 31 | Very low | 121 Ų | 121 | 131 Ų | 131 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | trans | -134.1 | 161 | 171.4 | 49.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 460 | T | 32.4 | Very low | 31 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | | | trans | 76.5 | 153.7 | 172.4 | 72.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 461 | N | 30.6 | Very low | 30.9 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | trans | -104.6 | 160.8 | -166.1 | -64 | -39.1 | 0 | 0 | 0 | 112.1 | | |
| 462 | T | 31.3 | Very low | 30.9 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | | | trans | -153.1 | 148.7 | 142 | -14.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 463 | I | 36.3 | Very low | 30.8 | Very low | 154 Ų | 154 | 136 Ų | 136 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | | | trans | -114.6 | 135.4 | -175.6 | -62.4 | 168.8 | 0 | 0 | 0 | 109.5 | | |
| 464 | T | 30.4 | Very low | 30.6 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | | | trans | -152.6 | 150.4 | 153.4 | -27 | 0 | 0 | 0 | 0 | 111.7 | | |
| 465 | K | 33 | Very low | 30.8 | Very low | 195 Ų | 195 | 133 Ų | 133 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | | | trans | -87.4 | 155.2 | -175.7 | -64.1 | 175.6 | 178 | 175.3 | 0 | 112.7 | | |
| 466 | G | 27.5 | Very low | 31 | Very low | 78 Ų | 78 | 134.8 Ų | 134.8 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -151.8 | 135.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 467 | I | 32.3 | Very low | 31.2 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | trans | -131.8 | 133.4 | -171.5 | -61.1 | 169.9 | 0 | 0 | 0 | 110.4 | | |
| 468 | S | 29.5 | Very low | 31.2 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | -165 | 131.2 | 158.6 | 56.5 | 0 | 0 | 0 | 0 | 112 | | |
| 469 | N | 30.9 | Very low | 31.2 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | | | trans | -110.3 | 152.9 | 176.6 | -71.7 | -34.5 | 0 | 0 | 0 | 111.8 | | |
| 470 | N | 30.1 | Very low | 30.9 | Very low | 160 Ų | 160 | 138 Ų | 138 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | | | trans | -171.4 | 132.8 | 145.4 | -97.2 | -24.4 | 0 | 0 | 0 | 109.5 | | |
| 471 | S | 28.6 | Very low | 30.8 | Very low | 91 Ų | 91 | 138.1 Ų | 138.1 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | | | cis | 81.4 | 124 | 15.1 | -44.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 472 | I | 33 | Very low | 30.6 | Very low | 147 Ų | 147 | 135.9 Ų | 135.9 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | cis | -155.3 | 154.5 | -15.1 | -25.9 | 164.4 | 0 | 0 | 0 | 108.5 | | |
| 473 | K | 26.4 | Very low | 30.6 | Very low | 190 Ų | 190 | 138.7 Ų | 138.7 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | | | trans | 165.1 | 126.4 | 137.7 | -86.8 | 156.3 | -176.2 | -172.2 | 0 | 110.4 | | |
| 474 | T | 30.6 | Very low | 30.2 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | | | cis | 76.6 | 147.6 | 47 | 70.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 475 | T | 32.6 | Very low | 30.4 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | | | cis | -99.2 | -142 | 15.7 | 37.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 476 | E | 31.7 | Very low | 30.1 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 67% | 0.673 | 76% | 0.757 | S | S | * | * | | | cis | -155.5 | -179.8 | -0.3 | 42.7 | -79.3 | -26.6 | 0 | 0 | 111.5 | | |
| 477 | N | 34.8 | Very low | 30 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | trans | 61.9 | 93 | 176.1 | -59.2 | -16.3 | 0 | 0 | 0 | 116 | | |
| 478 | V | 32.1 | Very low | 29.7 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | | | | 66 | 118.6 | 67.6 | -178.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 479 | N | 29.2 | Very low | 29.6 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | | | cis | -161.2 | 151.1 | -15.4 | -137 | 14.9 | 0 | 0 | 0 | 112.1 | | |
| 480 | V | 26.3 | Very low | 29.3 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | | | trans | 35.3 | 120.4 | 149.9 | -178.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 481 | I | 29.4 | Very low | 29.2 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 73% | 0.728 | 75% | 0.752 | S | S | * | * | | | | -159.3 | 136.4 | 116 | -99.5 | 159.8 | 0 | 0 | 0 | 109 | Y483 | I481-Y483 HydrophobicContact CG2-CD2 3.85Å; I481-Y483 HydrophobicContact CG2-CE2 4.07Å |
| 482 | S | 25.9 | Very low | 29 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | -137.5 | 124.3 | 175.1 | 57.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 483 | Y | 32.3 | Very low | 28.8 | Very low | 206 Ų | 206 | 131.1 Ų | 131.1 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | | | trans | -132.2 | 108.7 | 173.4 | -79.5 | -69.7 | 0 | 0 | 0 | 111.7 | I481 | I481-Y483 HydrophobicContact CG2-CD2 3.85Å; I481-Y483 HydrophobicContact CG2-CE2 4.07Å |
| 484 | S | 28.3 | Very low | 29 | Very low | 106 Ų | 106 | 126.9 Ų | 126.9 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | trans | -79 | 137.8 | 155.5 | -50.7 | 0 | 0 | 0 | 0 | 109.1 | N486 | S484-N486 PolarHBondContact O-N 3.39Š|
| 485 | P | 33.3 | Very low | 28.8 | Very low | 138 Ų | 138 | 131.4 Ų | 131.4 | 90% | 0.896 | 77% | 0.772 | S | S | * | * | | | trans | -80.2 | 93 | 159.2 | 16.9 | -3.1 | 0 | 0 | 0 | 108.3 | | |
| 486 | N | 26.6 | Very low | 28.8 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | | | trans | -98.9 | 113.6 | 175 | -172.6 | 80.4 | 0 | 0 | 0 | 110.1 | S484 | S484-N486 PolarHBondContact O-N 3.39Š|
| 487 | S | 26 | Very low | 28.7 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -166.8 | 143 | 161.4 | -90.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 488 | S | 26.3 | Very low | 28.4 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | | | cis | -159.6 | 141.6 | -17.6 | -100.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 489 | T | 27.8 | Very low | 28.2 | Very low | 141 Ų | 141 | 127 Ų | 127 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | | | trans | -76.9 | 125.9 | 168.9 | 45.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 490 | T | 25.2 | Very low | 28.3 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | | | trans | -115.8 | 87.7 | 168.8 | 40.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 491 | S | 27.8 | Very low | 28.6 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | -76.3 | 121.9 | 162.3 | 53.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 492 | S | 23.9 | Very low | 28.7 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | -128.5 | 119.4 | 172.5 | 50.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 493 | S | 29.1 | Very low | 29 | Very low | 131 Ų | 131 | 121.8 Ų | 121.8 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | | | trans | -118.1 | 82.7 | -179.1 | 48.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 494 | S | 29.2 | Very low | 29 | Very low | 102 Ų | 102 | 118.4 Ų | 118.4 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | | | trans | -148.5 | 105.1 | 170.9 | 53 | 0 | 0 | 0 | 0 | 108.3 | | |
| 495 | K | 28.2 | Very low | 29.3 | Very low | 203 Ų | 203 | 120.3 Ų | 120.3 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | | 65.5 | 112.3 | 82.1 | -169.6 | 179.8 | -178.3 | -177.7 | 0 | 111.5 | | |
| 496 | A | 31.8 | Very low | 29.2 | Very low | 95 Ų | 95 | 119.1 Ų | 119.1 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -79.3 | 145.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 497 | T | 29 | Very low | 29.3 | Very low | 127 Ų | 127 | 118.9 Ų | 118.9 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | trans | -159.9 | 107.2 | 151.3 | 30.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 498 | T | 29.6 | Very low | 29.6 | Very low | 139 Ų | 139 | 120.4 Ų | 120.4 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | 24.8 | 127.5 | 135.2 | 54.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 499 | G | 27.2 | Very low | 30.3 | Very low | 78 Ų | 78 | 121.7 Ų | 121.7 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | 110.9 | 151.1 | 142.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 500 | A | 31.4 | Very low | 30.4 | Very low | 92 Ų | 92 | 121.9 Ų | 121.9 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | | | cis | -165.9 | 157.5 | -10.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 501 | S | 32.7 | Very low | 30.8 | Very low | 128 Ų | 128 | 121.4 Ų | 121.4 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | | | trans | 70.4 | 140.5 | 152.8 | -58.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 502 | G | 31.6 | Very low | 30.9 | Very low | 81 Ų | 81 | 121.6 Ų | 121.6 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | trans | 106.5 | 116 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 503 | A | 32.5 | Very low | 31.2 | Very low | 89 Ų | 89 | 122.8 Ų | 122.8 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | cis | 162.4 | 142.1 | -36.2 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 504 | V | 32.2 | Very low | 31.2 | Very low | 136 Ų | 136 | 121.3 Ų | 121.3 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | trans | 69.3 | 134.4 | 164.8 | 178.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 505 | I | 33.5 | Very low | 31.2 | Very low | 146 Ų | 146 | 119.5 Ų | 119.5 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | | | cis | -126.9 | 128.3 | 13.2 | -53 | 171.9 | 0 | 0 | 0 | 108 | | |
| 506 | T | 31.1 | Very low | 31.4 | Very low | 112 Ų | 112 | 116.7 Ų | 116.7 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | | | | 66.6 | 140.5 | 76.9 | -8.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 507 | N | 29.6 | Very low | 31.3 | Very low | 135 Ų | 135 | 117 Ų | 117 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | 75.7 | 142.7 | 165.7 | -61.4 | 4.2 | 0 | 0 | 0 | 119.1 | | |
| 508 | I | 32 | Very low | 31.7 | Very low | 143 Ų | 143 | 117.4 Ų | 117.4 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | | | cis | -162.5 | 155.2 | -31.4 | -120.8 | 160.6 | 0 | 0 | 0 | 107.3 | | |
| 509 | P | 39.9 | Very low | 31.9 | Very low | 118 Ų | 118 | 116.1 Ų | 116.1 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | trans | -86.5 | 150.5 | -165.6 | 33.9 | -35.7 | 0 | 0 | 0 | 115 | | |
| 510 | T | 31.2 | Very low | 32 | Very low | 144 Ų | 144 | 119.3 Ų | 119.3 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | trans | -129.9 | 141.9 | 164.8 | -45 | 0 | 0 | 0 | 0 | 110.1 | | |
| 511 | T | 32.8 | Very low | 31.7 | Very low | 121 Ų | 121 | 117.9 Ų | 117.9 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | trans | -89.8 | 156.3 | -160.2 | 54.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 512 | T | 29.8 | Very low | 31.6 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | 98.7 | 120.5 | 142.7 | -55.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 513 | T | 30.2 | Very low | 31.2 | Very low | 136 Ų | 136 | 122.1 Ų | 122.1 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | | | trans | 64.6 | 86.1 | 152.2 | -54.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 514 | A | 30.4 | Very low | 31.3 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | | | | -163.1 | 154.3 | 124.6 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 515 | G | 28.4 | Very low | 31.3 | Very low | 64 Ų | 64 | 123.1 Ų | 123.1 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | | | cis | 116.9 | 104.6 | 9.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 516 | T | 32 | Very low | 31.1 | Very low | 143 Ų | 143 | 125 Ų | 125 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | | | trans | 103.5 | 152.5 | 174.6 | -43.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 517 | S | 30.3 | Very low | 31.1 | Very low | 101 Ų | 101 | 126.3 Ų | 126.3 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | trans | 78 | 76.3 | 164.1 | 53.1 | 0 | 0 | 0 | 0 | 121.7 | | |
| 518 | V | 37.7 | Very low | 31.4 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | | 14.4 | 124.9 | 108.7 | 176.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 519 | P | 34.3 | Very low | 31.5 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | | -150.4 | 137 | 97.3 | 37.1 | -18.5 | 0 | 0 | 0 | 119.3 | | |
| 520 | V | 27.5 | Very low | 31 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | | | trans | 49.1 | 124.4 | 134 | -174.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 521 | G | 25.7 | Very low | 31.1 | Very low | 62 Ų | 62 | 132.8 Ų | 132.8 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | | | trans | 166.4 | 126.9 | 142.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 522 | K | 30.9 | Very low | 31.5 | Very low | 200 Ų | 200 | 138 Ų | 138 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | | | trans | 72.3 | 119.3 | 164.4 | -55 | 170.3 | -171.8 | 174.3 | 0 | 114.7 | | |
| 523 | S | 24.2 | Very low | 32 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | | | cis | 61 | 128.8 | 18.5 | 79.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 524 | I | 33.9 | Very low | 32.4 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | | | | -172.8 | 153.7 | 72.2 | -84.6 | 152 | 0 | 0 | 0 | 108.8 | | |
| 525 | T | 31.9 | Very low | 33 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 58% | 0.577 | 78% | 0.783 | S | S | * | * | | | cis | -165.3 | 148.2 | -40.2 | 49.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 526 | Q | 30.2 | Very low | 33.6 | Very low | 187 Ų | 187 | 142.8 Ų | 142.8 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | trans | -113 | 92.1 | 156.3 | -75.9 | -78.7 | 14.1 | 0 | 0 | 107.7 | | |
| 527 | L | 31 | Very low | 34.3 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | | | | 63.9 | 59.3 | 79.3 | -62.5 | 178.8 | 0 | 0 | 0 | 115.8 | | |
| 528 | K | 35.9 | Very low | 35.4 | Very low | 204 Ų | 204 | 140.8 Ų | 140.8 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | | | trans | -94 | 135.3 | 139.9 | -170 | 169.3 | -178.3 | 175.9 | 0 | 109.3 | T530 | K528-T530 PolarHBondContact O-N 3.22Š|
| 529 | M | 33.9 | Very low | 36.4 | Very low | 175 Ų | 175 | 139.8 Ų | 139.8 | 86% | 0.862 | 77% | 0.773 | S | S | * | * | | | trans | -64.1 | 120.3 | -167.6 | -81.8 | -80.8 | -82.3 | 0 | 0 | 114.1 | | |
| 530 | T | 29 | Very low | 38 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | | | trans | -13.8 | 118.2 | 155.8 | -51.2 | 0 | 0 | 0 | 0 | 117.8 | K528 R532 | K528-T530 PolarHBondContact O-N 3.22Å; T530-R532 HydrophobicContact CG2-CG 3.8Å |
| 531 | E | 33.8 | Very low | 39.8 | Very low | 189 Ų | 189 | 135.2 Ų | 135.2 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | | | trans | -117.3 | 126.6 | 136.7 | -174.3 | 166.9 | -151.6 | 0 | 0 | 108.6 | G533 | E531-G533 VanDerWaalsContact C-N 3.34Å; E531-G533 PolarHBondContact O-N 2.88Å; E531-G533 VanDerWaalsContact O-N 3.09Å |
| 532 | R | 39.5 | Very low | 41.7 | Very low | 232 Ų | 232 | 141 Ų | 141 | 88% | 0.875 | 75% | 0.749 | S | S | * | * | | | trans | -86 | 71.2 | -176.8 | -80 | -175.3 | 172.1 | 171.1 | -2.6 | 111.6 | T530 | T530-R532 HydrophobicContact CG2-CG 3.8Š|
| 533 | G | 40.8 | Very low | 44.2 | Very low | 69 Ų | 69 | 133.1 Ų | 133.1 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | | | trans | -64.6 | 133.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | E531 | E531-G533 VanDerWaalsContact C-N 3.34Å; E531-G533 PolarHBondContact O-N 2.88Å; E531-G533 VanDerWaalsContact O-N 3.09Å |
| 534 | T | 40 | Very low | 47 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 83% | 0.828 | 72% | 0.719 | S | S | * | * | | | trans | -68.7 | 135.1 | -177.6 | 42.8 | 0 | 0 | 0 | 0 | 112.4 | T536 | T534-T536 PolarHBondContact O-N 2.94Š|
| 535 | Q | 41.5 | Very low | 49.5 | Very low | 193 Ų | 193 | 133.5 Ų | 133.5 | 90% | 0.902 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -73.1 | 87.2 | -171.9 | -174 | -173.6 | -8.7 | 0 | 0 | 113.6 | | |
| 536 | T | 41.9 | Very low | 52.2 | Low | 125 Ų | 125 | 131.9 Ų | 131.9 | 77% | 0.767 | 70% | 0.701 | S | S | * | * | | | trans | -134 | 47.4 | 154.1 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | T534 V538 | T534-T536 PolarHBondContact O-N 2.94Å; T536-V538 VanDerWaalsContact C-N 3.25Å; T536-V538 PolarHBondContact O-N 3.23Å |
| 537 | G | 46 | Very low | 54.8 | Low | 77 Ų | 77 | 128.2 Ų | 128.2 | 79% | 0.794 | 68% | 0.682 | S | S | * | * | | | trans | -73 | 70.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q539 | G537-Q539 PolarHBondContact O-N 2.98Š|
| 538 | V | 53.5 | Low | 57.6 | Low | 126 Ų | 126 | 125.7 Ų | 125.7 | 76% | 0.764 | 67% | 0.669 | S | S | * | * | | | trans | -64.3 | 118.8 | 158.7 | -177.2 | 0 | 0 | 0 | 0 | 106.3 | T536 N540 | T536-V538 VanDerWaalsContact C-N 3.25Å; T536-V538 PolarHBondContact O-N 3.23Å; V538-N540 PolarHBondContact O-N 3.05Å |
| 539 | Q | 58.6 | Low | 60.2 | Low | 114 Ų | 114 | 121 Ų | 121 | 53% | 0.533 | 65% | 0.65 | S | S | . | * | | | trans | -54.7 | 126.5 | 169.8 | -81.1 | -167.1 | -16.3 | 0 | 0 | 107.7 | G537 P541 H546 E549 | G537-Q539 PolarHBondContact O-N 2.98Å; Q539-P541 WeakPolarHBondContact O-CD 3.47Å; Q539-P541 VanDerWaalsContact O-N 3.13Å; Q539-H546 PolarHBondContact OE1-CE1 2.82Å; Q539-H546 PolarHBondContact OE1-ND1 3.35Å; Q539-E549 PolarHBondContact NE2-OE2 2.93Å; Q539-E549 VanDerWaalsContact NE2-OE2 3.11Å |
| 540 | N | 68.6 | Low | 62.7 | Low | 84 Ų | 84 | 117.5 Ų | 117.5 | 45% | 0.449 | 63% | 0.633 | S | S | . | * | | | trans | -64.6 | 115.1 | 179.4 | 175 | 15.9 | 0 | 0 | 0 | 108.8 | V538 F542 S543 | V538-N540 PolarHBondContact O-N 3.05Å; N540-F542 PolarHBondContact O-N 3.35Å; N540-F542 VanDerWaalsContact O-N 3.12Å; N540-F542 PolarHBondContact OD1-N 3.25Å; N540-S543 WeakPolarHBondContact O-CB 3.49Å; N540-S543 PolarHBondContact O-N 2.85Å; N540-S543 PolarHBondContact O-OG 3.26Å |
| 541 | P | 65.3 | Low | 65.6 | Low | 77 Ų | 77 | 113.5 Ų | 113.5 | 50% | 0.5 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.8 | -14.9 | -178.9 | 28.8 | -35.3 | 0 | 0 | 0 | 112.5 | Q539 | Q539-P541 WeakPolarHBondContact O-CD 3.47Å; Q539-P541 VanDerWaalsContact O-N 3.13Å |
| 542 | F | 64.8 | Low | 68.3 | Low | 184 Ų | 184 | 111 Ų | 111 | 81% | 0.807 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 27.5 | 173.5 | -50.3 | -75.2 | 0 | 0 | 0 | 112.6 | N540 | N540-F542 PolarHBondContact O-N 3.35Å; N540-F542 VanDerWaalsContact O-N 3.12Å; N540-F542 PolarHBondContact OD1-N 3.25Å |
| 543 | S | 83.7 | Confident | 70.7 | Confident | 35 Ų | 35 | 103 Ų | 103 | 25% | 0.245 | 57% | 0.572 | C | S | . | * | | | trans | -100.6 | 135.2 | 171 | 63 | 0 | 0 | 0 | 0 | 111.1 | N540 N545 H546 F547 | N540-S543 WeakPolarHBondContact O-CB 3.49Å; N540-S543 PolarHBondContact O-N 2.85Å; N540-S543 PolarHBondContact O-OG 3.26Å; S543-N545 PolarHBondContact O-N 3.01Å; S543-N545 VanDerWaalsContact O-N 3.14Å; S543-H546 WeakPolarHBondContact O-CB 3.44Å; S543-H546 PolarHBondContact O-N 3.06Å; S543-H546 WeakPolarHBondContact OG-CB 3.48Å; S543-F547 PolarHBondContact O-N 3.26Å |
| 544 | D | 83.5 | Confident | 73 | Confident | 129 Ų | 129 | 105.1 Ų | 105.1 | 69% | 0.69 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -56.4 | -34.1 | -179.3 | -53 | -38 | 0 | 0 | 0 | 111.9 | F547 L548 | D544-F547 PolarHBondContact O-N 3.42Å; D544-L548 WeakPolarHBondContact O-CB 3.43Å; D544-L548 VanDerWaalsContact O-CG 3.22Å; D544-L548 WeakPolarHBondContact O-CG 3.32Å; D544-L548 PolarHBondContact O-N 3.45Å |
| 545 | N | 86.1 | Confident | 75.3 | Confident | 128 Ų | 128 | 102.6 Ų | 102.6 | 68% | 0.684 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.2 | -43.6 | 174.5 | -71.8 | -19.9 | 0 | 0 | 0 | 112.5 | S543 L548 E549 | S543-N545 PolarHBondContact O-N 3.01Å; S543-N545 VanDerWaalsContact O-N 3.14Å; N545-L548 PolarHBondContact O-N 3.12Å; N545-E549 VanDerWaalsContact O-CB 3.24Å; N545-E549 WeakPolarHBondContact O-CB 3.23Å; N545-E549 PolarHBondContact O-N 3.12Å |
| 546 | H | 87.8 | Confident | 77.6 | Confident | 60 Ų | 60 | 101 Ų | 101 | 28% | 0.278 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.8 | -38.5 | 177.3 | -178.3 | 78.4 | 0 | 0 | 0 | 111.6 | Q539 S543 E549 M550 | Q539-H546 PolarHBondContact OE1-CE1 2.82Å; Q539-H546 PolarHBondContact OE1-ND1 3.35Å; S543-H546 WeakPolarHBondContact O-CB 3.44Å; S543-H546 PolarHBondContact O-N 3.06Å; S543-H546 WeakPolarHBondContact OG-CB 3.48Å; H546-E549 PolarHBondContact O-N 3.27Å; H546-M550 WeakPolarHBondContact O-CB 3.46Å; H546-M550 PolarHBondContact O-N 3.42Å |
| 547 | F | 86.5 | Confident | 80 | Confident | 110 Ų | 110 | 103 Ų | 103 | 48% | 0.482 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 173.4 | 175.2 | -102.4 | 0 | 0 | 0 | 112.1 | S543 D544 M550 I551 | S543-F547 PolarHBondContact O-N 3.26Å; D544-F547 PolarHBondContact O-N 3.42Å; F547-M550 HydrophobicContact CD2-CE 4.02Å; F547-M550 HydrophobicContact CE2-CE 4.45Å; F547-M550 PolarHBondContact O-N 3.5Å; F547-I551 HydrophobicContact CD1-CD1 4.24Å; F547-I551 HydrophobicContact CD2-CD1 4.06Å; F547-I551 HydrophobicContact CE1-CD1 3.71Å; F547-I551 HydrophobicContact CE2-CD1 3.51Å; F547-I551 HydrophobicContact CG-CD1 4.4Å; F547-I551 HydrophobicContact CZ-CD1 3.32Å; F547-I551 WeakPolarHBondContact O-CG1 3.37Å; F547-I551 PolarHBondContact O-N 3.43Å |
| 548 | L | 89 | Confident | 82.3 | Confident | 86 Ų | 86 | 101.2 Ų | 101.2 | 45% | 0.45 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.8 | -36.8 | 174.2 | -70.6 | 169.7 | 0 | 0 | 0 | 112.1 | D544 N545 I551 K552 | D544-L548 WeakPolarHBondContact O-CB 3.43Å; D544-L548 VanDerWaalsContact O-CG 3.22Å; D544-L548 WeakPolarHBondContact O-CG 3.32Å; D544-L548 PolarHBondContact O-N 3.45Å; N545-L548 PolarHBondContact O-N 3.12Å; L548-I551 PolarHBondContact O-N 2.87Å; L548-K552 WeakPolarHBondContact O-CB 3.46Å; L548-K552 WeakPolarHBondContact O-CD 3.33Å; L548-K552 WeakPolarHBondContact O-CG 3.33Å; L548-K552 PolarHBondContact O-N 2.84Å |
| 549 | E | 89.6 | Confident | 84.3 | Confident | 104 Ų | 104 | 98.8 Ų | 98.8 | 49% | 0.486 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 174.2 | -172.4 | 167.4 | -152 | 0 | 0 | 111.5 | Q539 N545 H546 P553 | Q539-E549 PolarHBondContact NE2-OE2 2.93Å; Q539-E549 VanDerWaalsContact NE2-OE2 3.11Å; N545-E549 VanDerWaalsContact O-CB 3.24Å; N545-E549 WeakPolarHBondContact O-CB 3.23Å; N545-E549 PolarHBondContact O-N 3.12Å; H546-E549 PolarHBondContact O-N 3.27Å; E549-P553 VanDerWaalsContact O-CD 3.23Å; E549-P553 WeakPolarHBondContact O-CD 3.43Å |
| 550 | M | 87.8 | Confident | 85.9 | Confident | 103 Ų | 103 | 98.4 Ų | 98.4 | 51% | 0.507 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 174.1 | -179.4 | -176.4 | 67.4 | 0 | 0 | 113.3 | H546 F547 | H546-M550 WeakPolarHBondContact O-CB 3.46Å; H546-M550 PolarHBondContact O-N 3.42Å; F547-M550 HydrophobicContact CD2-CE 4.02Å; F547-M550 HydrophobicContact CE2-CE 4.45Å; F547-M550 PolarHBondContact O-N 3.5Å |
| 551 | I | 88.9 | Confident | 87.1 | Confident | 23 Ų | 23 | 103.3 Ų | 103.3 | 12% | 0.118 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -85.3 | -26.7 | -175.8 | -71 | 178.5 | 0 | 0 | 0 | 112.7 | F547 L548 Q554 M555 F566 | F547-I551 HydrophobicContact CD1-CD1 4.24Å; F547-I551 HydrophobicContact CD2-CD1 4.06Å; F547-I551 HydrophobicContact CE1-CD1 3.71Å; F547-I551 HydrophobicContact CE2-CD1 3.51Å; F547-I551 HydrophobicContact CG-CD1 4.4Å; F547-I551 HydrophobicContact CZ-CD1 3.32Å; F547-I551 WeakPolarHBondContact O-CG1 3.37Å; F547-I551 PolarHBondContact O-N 3.43Å; L548-I551 PolarHBondContact O-N 2.87Å; I551-Q554 PolarHBondContact O-N 3.16Å; I551-Q554 VanDerWaalsContact O-N 3.14Å; I551-M555 HydrophobicContact CG2-CG 3.8Å; I551-M555 HydrophobicContact CG2-SD 3.8Å; I551-M555 WeakPolarHBondContact O-CB 3.22Å; I551-M555 PolarHBondContact O-N 3.14Å; I551-F566 HydrophobicContact CG2-CZ 4.24Å |
| 552 | K | 90.1 | Very high | 88.5 | Confident | 136 Ų | 136 | 104 Ų | 104 | 59% | 0.591 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -49.7 | -48.6 | -179.8 | -90.2 | 164.9 | -174.7 | 176.7 | 0 | 114.1 | L548 M555 Q556 | L548-K552 WeakPolarHBondContact O-CB 3.46Å; L548-K552 WeakPolarHBondContact O-CD 3.33Å; L548-K552 WeakPolarHBondContact O-CG 3.33Å; L548-K552 PolarHBondContact O-N 2.84Å; K552-M555 CarbonylContact O-C 3.57Å; K552-M555 PolarHBondContact O-N 3.42Å; K552-Q556 WeakPolarHBondContact O-CB 3.43Å; K552-Q556 PolarHBondContact O-N 3.05Å |
| 553 | P | 91.5 | Very high | 89.9 | Confident | 65 Ų | 65 | 99.2 Ų | 99.2 | 42% | 0.422 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 177.3 | -23.9 | 34.6 | 0 | 0 | 0 | 113 | E549 M555 Q556 E557 | E549-P553 VanDerWaalsContact O-CD 3.23Å; E549-P553 WeakPolarHBondContact O-CD 3.43Å; P553-M555 VanDerWaalsContact C-N 3.33Å; P553-M555 PolarHBondContact O-N 2.93Å; P553-Q556 WeakPolarHBondContact O-CA 3.19Å; P553-Q556 WeakPolarHBondContact O-CB 3.43Å; P553-Q556 PolarHBondContact O-N 2.81Å; P553-E557 WeakPolarHBondContact O-CG 3.41Å; P553-E557 PolarHBondContact O-N 2.79Å |
| 554 | Q | 87.6 | Confident | 90.4 | Very high | 114 Ų | 114 | 102.7 Ų | 102.7 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 178 | -58.9 | -179.7 | -1.4 | 0 | 0 | 111 | I551 Q556 M558 | I551-Q554 PolarHBondContact O-N 3.16Å; I551-Q554 VanDerWaalsContact O-N 3.14Å; Q554-Q556 VanDerWaalsContact C-N 3.31Å; Q554-Q556 PolarHBondContact O-N 3.13Å; Q554-M558 VanDerWaalsContact O-CG 3.23Å; Q554-M558 WeakPolarHBondContact O-CG 3.39Å; Q554-M558 PolarHBondContact O-N 3.37Å; Q554-M558 VanDerWaalsContact O-N 3.16Å |
| 555 | M | 89.1 | Confident | 90.9 | Very high | 82 Ų | 82 | 101.8 Ų | 101.8 | 40% | 0.404 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -32.9 | 170.8 | -91.4 | -178 | 53.4 | 0 | 0 | 112.5 | I551 K552 P553 K563 F566 | I551-M555 HydrophobicContact CG2-CG 3.8Å; I551-M555 HydrophobicContact CG2-SD 3.8Å; I551-M555 WeakPolarHBondContact O-CB 3.22Å; I551-M555 PolarHBondContact O-N 3.14Å; K552-M555 CarbonylContact O-C 3.57Å; K552-M555 PolarHBondContact O-N 3.42Å; P553-M555 VanDerWaalsContact C-N 3.33Å; P553-M555 PolarHBondContact O-N 2.93Å; M555-K563 WeakPolarHBondContact O-CE 3.35Å; M555-K563 PolarHBondContact O-NZ 2.71Å; M555-K563 VanDerWaalsContact O-NZ 3.15Å; M555-F566 HydrophobicContact CG-CD1 4.41Å; M555-F566 HydrophobicContact CG-CE1 4.08Å; M555-F566 HydrophobicContact SD-CD1 4.41Å; M555-F566 HydrophobicContact SD-CE1 3.76Å |
| 556 | Q | 89.8 | Confident | 91.3 | Very high | 160 Ų | 160 | 99.3 Ų | 99.3 | 75% | 0.748 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.9 | -49.3 | 177.7 | -171.9 | 169.7 | -6.5 | 0 | 0 | 110.6 | K552 P553 Q554 M558 K563 | K552-Q556 WeakPolarHBondContact O-CB 3.43Å; K552-Q556 PolarHBondContact O-N 3.05Å; P553-Q556 WeakPolarHBondContact O-CA 3.19Å; P553-Q556 WeakPolarHBondContact O-CB 3.43Å; P553-Q556 PolarHBondContact O-N 2.81Å; Q554-Q556 VanDerWaalsContact C-N 3.31Å; Q554-Q556 PolarHBondContact O-N 3.13Å; Q556-M558 VanDerWaalsContact C-N 3.33Å; Q556-M558 PolarHBondContact O-N 3.21Å; Q556-K563 PolarHBondContact O-NZ 3.11Å |
| 557 | E | 92.8 | Very high | 91.6 | Very high | 165 Ų | 165 | 103.8 Ų | 103.8 | 77% | 0.771 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.9 | -32.1 | 179.5 | -69.1 | 171.4 | -170.6 | 0 | 0 | 114.1 | P553 | P553-E557 WeakPolarHBondContact O-CG 3.41Å; P553-E557 PolarHBondContact O-N 2.79Å |
| 558 | M | 93.6 | Very high | 91.9 | Very high | 40 Ų | 40 | 104.9 Ų | 104.9 | 20% | 0.197 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -62.4 | 136 | -179.5 | -79.1 | 161.3 | 51.3 | 0 | 0 | 113.2 | Q554 Q556 Q562 K563 F566 | Q554-M558 VanDerWaalsContact O-CG 3.23Å; Q554-M558 WeakPolarHBondContact O-CG 3.39Å; Q554-M558 PolarHBondContact O-N 3.37Å; Q554-M558 VanDerWaalsContact O-N 3.16Å; Q556-M558 VanDerWaalsContact C-N 3.33Å; Q556-M558 PolarHBondContact O-N 3.21Å; M558-Q562 HydrophobicContact CB-CB 4Å; M558-Q562 HydrophobicContact CE-CB 4.2Å; M558-Q562 WeakPolarHBondContact CE-O 3.21Å; M558-Q562 HydrophobicContact CG-CB 4.16Å; M558-K563 HydrophobicContact CB-CG 4.04Å; M558-K563 HydrophobicContact CE-CG 4.37Å; M558-K563 WeakPolarHBondContact O-CD 3.49Å; M558-K563 WeakPolarHBondContact O-CE 3.26Å; M558-K563 PolarHBondContact O-NZ 3.09Å; M558-F566 HydrophobicContact CE-CB 3.42Å; M558-F566 VanDerWaalsContact CE-CB 3.42Å; M558-F566 HydrophobicContact CE-CD1 4.32Å; M558-F566 HydrophobicContact CE-CD2 4.47Å; M558-F566 HydrophobicContact CE-CG 3.86Å |
| 559 | N | 94.9 | Very high | 92.1 | Very high | 75 Ų | 75 | 108.4 Ų | 108.4 | 40% | 0.401 | 51% | 0.509 | S | S | . | . | | | trans | -70.5 | 164.2 | 174.6 | 75.6 | 38.8 | 0 | 0 | 0 | 112.1 | R561 Q562 K563 | N559-R561 VanDerWaalsContact C-N 3.25Å; N559-R561 PolarHBondContact O-N 3.36Å; N559-R561 VanDerWaalsContact O-N 3.16Å; N559-R561 WeakPolarHBondContact OD1-CB 3.44Å; N559-R561 PolarHBondContact OD1-N 2.81Å; N559-R561 VanDerWaalsContact OD1-N 3.08Å; N559-Q562 PolarHBondContact ND2-OE1 2.78Å; N559-Q562 WeakPolarHBondContact O-CB 3.49Å; N559-Q562 PolarHBondContact O-N 2.85Å; N559-Q562 VanDerWaalsContact O-N 3.1Å; N559-Q562 WeakPolarHBondContact OD1-CG 3.48Å; N559-Q562 PolarHBondContact OD1-N 3.47Å; N559-K563 WeakPolarHBondContact O-CG 3.46Å; N559-K563 PolarHBondContact O-N 2.84Å |
| 560 | P | 94.1 | Very high | 92.3 | Very high | 106 Ų | 106 | 106.4 Ų | 106.4 | 69% | 0.688 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -57.1 | -33.1 | -176.3 | -28.3 | 36.6 | 0 | 0 | 0 | 114.7 | M564 | P560-M564 PolarHBondContact O-N 3.01Å |
| 561 | R | 93.9 | Very high | 92.5 | Very high | 187 Ų | 187 | 107.9 Ų | 107.9 | 71% | 0.706 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -70.3 | -44.3 | 176.8 | -171.4 | 178.9 | -67.2 | -91.3 | 2.6 | 111 | N559 M564 H565 | N559-R561 VanDerWaalsContact C-N 3.25Å; N559-R561 PolarHBondContact O-N 3.36Å; N559-R561 VanDerWaalsContact O-N 3.16Å; N559-R561 WeakPolarHBondContact OD1-CB 3.44Å; N559-R561 PolarHBondContact OD1-N 2.81Å; N559-R561 VanDerWaalsContact OD1-N 3.08Å; R561-M564 WeakPolarHBondContact O-CB 3.34Å; R561-M564 PolarHBondContact O-N 3.07Å; R561-H565 PolarHBondContact O-CD2 3.25Å; R561-H565 PolarHBondContact O-N 3.1Å |
| 562 | Q | 93.4 | Very high | 92.6 | Very high | 92 Ų | 92 | 112.5 Ų | 112.5 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 173.3 | -70.6 | 165.7 | -28.1 | 0 | 0 | 111.6 | M558 N559 M564 H565 F566 | M558-Q562 HydrophobicContact CB-CB 4Å; M558-Q562 HydrophobicContact CE-CB 4.2Å; M558-Q562 WeakPolarHBondContact CE-O 3.21Å; M558-Q562 HydrophobicContact CG-CB 4.16Å; N559-Q562 PolarHBondContact ND2-OE1 2.78Å; N559-Q562 WeakPolarHBondContact O-CB 3.49Å; N559-Q562 PolarHBondContact O-N 2.85Å; N559-Q562 VanDerWaalsContact O-N 3.1Å; N559-Q562 WeakPolarHBondContact OD1-CG 3.48Å; N559-Q562 PolarHBondContact OD1-N 3.47Å; Q562-M564 VanDerWaalsContact C-N 3.32Å; Q562-M564 PolarHBondContact O-N 3.14Å; Q562-H565 PolarHBondContact O-N 2.87Å; Q562-F566 WeakPolarHBondContact O-CB 3.47Å; Q562-F566 PolarHBondContact O-N 3.36Å |
| 563 | K | 93.8 | Very high | 92.4 | Very high | 84 Ų | 84 | 108.2 Ų | 108.2 | 37% | 0.365 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -55.8 | -44.9 | 172.2 | -76.2 | 165.3 | 168 | 143.3 | 0 | 111.7 | M555 Q556 M558 N559 F566 K567 | M555-K563 WeakPolarHBondContact O-CE 3.35Å; M555-K563 PolarHBondContact O-NZ 2.71Å; M555-K563 VanDerWaalsContact O-NZ 3.15Å; Q556-K563 PolarHBondContact O-NZ 3.11Å; M558-K563 HydrophobicContact CB-CG 4.04Å; M558-K563 HydrophobicContact CE-CG 4.37Å; M558-K563 WeakPolarHBondContact O-CD 3.49Å; M558-K563 WeakPolarHBondContact O-CE 3.26Å; M558-K563 PolarHBondContact O-NZ 3.09Å; N559-K563 WeakPolarHBondContact O-CG 3.46Å; N559-K563 PolarHBondContact O-N 2.84Å; K563-F566 PolarHBondContact O-N 2.6Å; K563-K567 WeakPolarHBondContact O-CB 3.46Å; K563-K567 PolarHBondContact O-N 2.92Å |
| 564 | M | 95 | Very high | 92.3 | Very high | 107 Ų | 107 | 109.1 Ų | 109.1 | 53% | 0.527 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 173.6 | -99.8 | -72.4 | -83.3 | 0 | 0 | 113.1 | P560 R561 Q562 F566 K567 K568 | P560-M564 PolarHBondContact O-N 3.01Å; R561-M564 WeakPolarHBondContact O-CB 3.34Å; R561-M564 PolarHBondContact O-N 3.07Å; Q562-M564 VanDerWaalsContact C-N 3.32Å; Q562-M564 PolarHBondContact O-N 3.14Å; M564-F566 VanDerWaalsContact C-N 3.35Å; M564-F566 PolarHBondContact O-N 3.33Å; M564-K567 PolarHBondContact O-N 2.91Å; M564-K568 WeakPolarHBondContact O-CB 3.47Å; M564-K568 WeakPolarHBondContact O-CG 3.24Å; M564-K568 PolarHBondContact O-N 2.96Å |
| 565 | H | 93.8 | Very high | 92.2 | Very high | 110 Ų | 110 | 107.3 Ų | 107.3 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.2 | -36.5 | 177.1 | -71.6 | -67.9 | 0 | 0 | 0 | 112.8 | R561 Q562 K568 K569 | R561-H565 PolarHBondContact O-CD2 3.25Å; R561-H565 PolarHBondContact O-N 3.1Å; Q562-H565 PolarHBondContact O-N 2.87Å; H565-K568 PolarHBondContact O-N 3.24Å; H565-K569 WeakPolarHBondContact O-CG 3.4Å; H565-K569 PolarHBondContact O-N 2.82Å |
| 566 | F | 93.8 | Very high | 92 | Very high | 76 Ų | 76 | 109.6 Ų | 109.6 | 33% | 0.333 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.4 | -47.2 | 174 | 177.4 | -101.6 | 0 | 0 | 0 | 111.6 | I551 M555 M558 Q562 K563 M564 K568 K569 V570 | I551-F566 HydrophobicContact CG2-CZ 4.24Å; M555-F566 HydrophobicContact CG-CD1 4.41Å; M555-F566 HydrophobicContact CG-CE1 4.08Å; M555-F566 HydrophobicContact SD-CD1 4.41Å; M555-F566 HydrophobicContact SD-CE1 3.76Å; M558-F566 HydrophobicContact CE-CB 3.42Å; M558-F566 VanDerWaalsContact CE-CB 3.42Å; M558-F566 HydrophobicContact CE-CD1 4.32Å; M558-F566 HydrophobicContact CE-CD2 4.47Å; M558-F566 HydrophobicContact CE-CG 3.86Å; Q562-F566 WeakPolarHBondContact O-CB 3.47Å; Q562-F566 PolarHBondContact O-N 3.36Å; K563-F566 PolarHBondContact O-N 2.6Å; M564-F566 VanDerWaalsContact C-N 3.35Å; M564-F566 PolarHBondContact O-N 3.33Å; F566-K568 VanDerWaalsContact C-N 3.28Å; F566-K568 PolarHBondContact O-N 2.87Å; F566-K569 PolarHBondContact O-N 3.4Å; F566-K569 VanDerWaalsContact O-N 3.07Å; F566-V570 HydrophobicContact CD1-CG2 4.23Å; F566-V570 HydrophobicContact CD2-CG2 4.39Å; F566-V570 HydrophobicContact CE1-CG2 3.87Å; F566-V570 HydrophobicContact CE2-CG2 4.03Å; F566-V570 HydrophobicContact CG-CG2 4.48Å; F566-V570 HydrophobicContact CZ-CG2 3.76Å; F566-V570 WeakPolarHBondContact O-CG2 3.31Å; F566-V570 PolarHBondContact O-N 3.5Å |
| 567 | K | 93.9 | Very high | 91.3 | Very high | 154 Ų | 154 | 106 Ų | 106 | 67% | 0.67 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.2 | -42.1 | 173.7 | -172.9 | 178.8 | 179.8 | -177.7 | 0 | 111.4 | K563 M564 F571 | K563-K567 WeakPolarHBondContact O-CB 3.46Å; K563-K567 PolarHBondContact O-N 2.92Å; M564-K567 PolarHBondContact O-N 2.91Å; K567-F571 WeakPolarHBondContact O-CB 3.08Å; K567-F571 PolarHBondContact O-N 3.49Å |
| 568 | K | 93.9 | Very high | 90.1 | Very high | 134 Ų | 134 | 105.4 Ų | 105.4 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.4 | -44.9 | 172.7 | -77.2 | -170.4 | 174 | -163.9 | 0 | 112.4 | M564 H565 F566 F571 Q572 | M564-K568 WeakPolarHBondContact O-CB 3.47Å; M564-K568 WeakPolarHBondContact O-CG 3.24Å; M564-K568 PolarHBondContact O-N 2.96Å; H565-K568 PolarHBondContact O-N 3.24Å; F566-K568 VanDerWaalsContact C-N 3.28Å; F566-K568 PolarHBondContact O-N 2.87Å; K568-F571 PolarHBondContact O-N 2.83Å; K568-Q572 VanDerWaalsContact O-CB 3.22Å; K568-Q572 WeakPolarHBondContact O-CB 3.49Å; K568-Q572 PolarHBondContact O-N 3.33Å |
| 569 | K | 93.3 | Very high | 88.6 | Confident | 160 Ų | 160 | 109 Ų | 109 | 70% | 0.696 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -43 | 176.6 | -78.3 | -174.2 | 175.1 | -170.1 | 0 | 113.1 | H565 F566 Q572 A573 | H565-K569 WeakPolarHBondContact O-CG 3.4Å; H565-K569 PolarHBondContact O-N 2.82Å; F566-K569 PolarHBondContact O-N 3.4Å; F566-K569 VanDerWaalsContact O-N 3.07Å; K569-Q572 PolarHBondContact O-N 3.18Å; K569-A573 WeakPolarHBondContact O-CB 3.43Å; K569-A573 PolarHBondContact O-N 2.97Å |
| 570 | V | 92.4 | Very high | 86.5 | Confident | 62 Ų | 62 | 109.5 Ų | 109.5 | 38% | 0.376 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.5 | -46.3 | 176.3 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | F566 A573 L574 | F566-V570 HydrophobicContact CD1-CG2 4.23Å; F566-V570 HydrophobicContact CD2-CG2 4.39Å; F566-V570 HydrophobicContact CE1-CG2 3.87Å; F566-V570 HydrophobicContact CE2-CG2 4.03Å; F566-V570 HydrophobicContact CG-CG2 4.48Å; F566-V570 HydrophobicContact CZ-CG2 3.76Å; F566-V570 WeakPolarHBondContact O-CG2 3.31Å; F566-V570 PolarHBondContact O-N 3.5Å; V570-A573 PolarHBondContact O-N 3.13Å; V570-L574 HydrophobicContact CG1-CD1 3.88Å; V570-L574 HydrophobicContact CG1-CG 4.48Å; V570-L574 WeakPolarHBondContact O-CB 3.32Å; V570-L574 VanDerWaalsContact O-CG 3.23Å; V570-L574 WeakPolarHBondContact O-CG 3.36Å; V570-L574 PolarHBondContact O-N 3.43Å |
| 571 | F | 91.9 | Very high | 84.4 | Confident | 133 Ų | 133 | 108 Ų | 108 | 58% | 0.583 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 176.6 | -170.9 | -100.5 | 0 | 0 | 0 | 112.1 | K567 K568 L574 M575 | K567-F571 WeakPolarHBondContact O-CB 3.08Å; K567-F571 PolarHBondContact O-N 3.49Å; K568-F571 PolarHBondContact O-N 2.83Å; F571-L574 PolarHBondContact O-N 3.28Å; F571-M575 HydrophobicContact CD1-CG 4.09Å; F571-M575 HydrophobicContact CD1-SD 4.2Å; F571-M575 HydrophobicContact CE1-CG 3.77Å; F571-M575 HydrophobicContact CE1-SD 3.39Å; F571-M575 WeakPolarHBondContact CE1-SD 3.3Å; F571-M575 HydrophobicContact CZ-CG 4.04Å; F571-M575 HydrophobicContact CZ-SD 3.73Å; F571-M575 WeakPolarHBondContact O-CG 3.36Å; F571-M575 PolarHBondContact O-N 3.06Å |
| 572 | Q | 91.3 | Very high | 82.4 | Confident | 121 Ų | 121 | 103.9 Ų | 103.9 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61 | -45.1 | 176.4 | -176.8 | 61.2 | 69.7 | 0 | 0 | 112.2 | K568 K569 M575 E576 | K568-Q572 VanDerWaalsContact O-CB 3.22Å; K568-Q572 WeakPolarHBondContact O-CB 3.49Å; K568-Q572 PolarHBondContact O-N 3.33Å; K569-Q572 PolarHBondContact O-N 3.18Å; Q572-M575 PolarHBondContact O-N 3.45Å; Q572-E576 VanDerWaalsContact O-CB 3.3Å; Q572-E576 WeakPolarHBondContact O-CB 3.43Å; Q572-E576 PolarHBondContact O-N 3.38Å |
| 573 | A | 86.6 | Confident | 80.2 | Confident | 46 Ų | 46 | 106 Ų | 106 | 38% | 0.38 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.8 | -37.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | K569 V570 E576 T577 | K569-A573 WeakPolarHBondContact O-CB 3.43Å; K569-A573 PolarHBondContact O-N 2.97Å; V570-A573 PolarHBondContact O-N 3.13Å; A573-E576 PolarHBondContact O-N 2.87Å; A573-T577 WeakPolarHBondContact O-CG2 3.36Å; A573-T577 PolarHBondContact O-N 2.88Å; A573-T577 PolarHBondContact O-OG1 3.23Å; A573-T577 VanDerWaalsContact O-OG1 3.12Å |
| 574 | L | 88.6 | Confident | 77.9 | Confident | 83 Ų | 83 | 109 Ų | 109 | 44% | 0.435 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64 | -46.5 | 173.4 | -71.8 | 167.2 | 0 | 0 | 0 | 111 | V570 F571 E576 T577 F578 | V570-L574 HydrophobicContact CG1-CD1 3.88Å; V570-L574 HydrophobicContact CG1-CG 4.48Å; V570-L574 WeakPolarHBondContact O-CB 3.32Å; V570-L574 VanDerWaalsContact O-CG 3.23Å; V570-L574 WeakPolarHBondContact O-CG 3.36Å; V570-L574 PolarHBondContact O-N 3.43Å; F571-L574 PolarHBondContact O-N 3.28Å; L574-E576 PolarHBondContact O-N 2.82Å; L574-T577 WeakPolarHBondContact CA-OG1 3.42Å; L574-T577 PolarHBondContact O-N 3.43Å; L574-T577 PolarHBondContact O-OG1 2.69Å; L574-F578 HydrophobicContact CB-CD2 4.46Å; L574-F578 HydrophobicContact CD2-CE2 4.06Å; L574-F578 WeakPolarHBondContact O-CB 3.36Å; L574-F578 WeakPolarHBondContact O-CD2 3.4Å; L574-F578 PolarHBondContact O-N 3.42Å |
| 575 | M | 87 | Confident | 75.5 | Confident | 76 Ų | 76 | 109.6 Ų | 109.6 | 37% | 0.374 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.2 | -44.8 | 174.7 | -68.4 | -143 | 74.3 | 0 | 0 | 111.5 | F571 Q572 T577 F578 D579 | F571-M575 HydrophobicContact CD1-CG 4.09Å; F571-M575 HydrophobicContact CD1-SD 4.2Å; F571-M575 HydrophobicContact CE1-CG 3.77Å; F571-M575 HydrophobicContact CE1-SD 3.39Å; F571-M575 WeakPolarHBondContact CE1-SD 3.3Å; F571-M575 HydrophobicContact CZ-CG 4.04Å; F571-M575 HydrophobicContact CZ-SD 3.73Å; F571-M575 WeakPolarHBondContact O-CG 3.36Å; F571-M575 PolarHBondContact O-N 3.06Å; Q572-M575 PolarHBondContact O-N 3.45Å; M575-T577 PolarHBondContact O-N 2.81Å; M575-F578 PolarHBondContact O-N 2.83Å; M575-F578 VanDerWaalsContact O-N 3.12Å; M575-D579 VanDerWaalsContact CE-OD2 3.31Å; M575-D579 WeakPolarHBondContact CE-OD2 3.17Å; M575-D579 WeakPolarHBondContact O-CB 3.43Å; M575-D579 PolarHBondContact O-N 2.8Å |
| 576 | E | 84.4 | Confident | 73.1 | Confident | 130 Ų | 130 | 109.5 Ų | 109.5 | 61% | 0.607 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -54.5 | -49.9 | 173.7 | -170.9 | 173.9 | 178.2 | 0 | 0 | 111.2 | Q572 A573 L574 F578 D580 | Q572-E576 VanDerWaalsContact O-CB 3.3Å; Q572-E576 WeakPolarHBondContact O-CB 3.43Å; Q572-E576 PolarHBondContact O-N 3.38Å; A573-E576 PolarHBondContact O-N 2.87Å; L574-E576 PolarHBondContact O-N 2.82Å; E576-F578 VanDerWaalsContact C-N 3.29Å; E576-F578 PolarHBondContact O-N 2.82Å; E576-D580 WeakPolarHBondContact O-CB 3.44Å; E576-D580 PolarHBondContact O-N 3.32Å; E576-D580 VanDerWaalsContact O-N 3.1Å |
| 577 | T | 75.5 | Confident | 71.1 | Confident | 84 Ų | 84 | 111.4 Ų | 111.4 | 52% | 0.515 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69.5 | -14.7 | 178 | 56.6 | 0 | 0 | 0 | 0 | 115.9 | A573 L574 M575 | A573-T577 WeakPolarHBondContact O-CG2 3.36Å; A573-T577 PolarHBondContact O-N 2.88Å; A573-T577 PolarHBondContact O-OG1 3.23Å; A573-T577 VanDerWaalsContact O-OG1 3.12Å; L574-T577 WeakPolarHBondContact CA-OG1 3.42Å; L574-T577 PolarHBondContact O-N 3.43Å; L574-T577 PolarHBondContact O-OG1 2.69Å; M575-T577 PolarHBondContact O-N 2.81Å |
| 578 | F | 67.3 | Low | 68.8 | Low | 153 Ų | 153 | 113.5 Ų | 113.5 | 67% | 0.671 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -111.4 | -23.9 | -178 | -70.6 | -52.5 | 0 | 0 | 0 | 114.5 | L574 M575 E576 | L574-F578 HydrophobicContact CB-CD2 4.46Å; L574-F578 HydrophobicContact CD2-CE2 4.06Å; L574-F578 WeakPolarHBondContact O-CB 3.36Å; L574-F578 WeakPolarHBondContact O-CD2 3.4Å; L574-F578 PolarHBondContact O-N 3.42Å; M575-F578 PolarHBondContact O-N 2.83Å; M575-F578 VanDerWaalsContact O-N 3.12Å; E576-F578 VanDerWaalsContact C-N 3.29Å; E576-F578 PolarHBondContact O-N 2.82Å |
| 579 | D | 62.7 | Low | 66.2 | Low | 117 Ų | 117 | 114.8 Ų | 114.8 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -92 | -24.6 | 173.3 | -75.8 | -26.1 | 0 | 0 | 0 | 112.6 | M575 A581 | M575-D579 VanDerWaalsContact CE-OD2 3.31Å; M575-D579 WeakPolarHBondContact CE-OD2 3.17Å; M575-D579 WeakPolarHBondContact O-CB 3.43Å; M575-D579 PolarHBondContact O-N 2.8Å; D579-A581 PolarHBondContact O-N 3.07Å |
| 580 | D | 50 | Low | 64.1 | Low | 84 Ų | 84 | 115.3 Ų | 115.3 | 45% | 0.449 | 62% | 0.617 | S | S | . | * | | | trans | -74.2 | 78.2 | 174.6 | -151.6 | 68.9 | 0 | 0 | 0 | 110.8 | E576 T582 D583 | E576-D580 WeakPolarHBondContact O-CB 3.44Å; E576-D580 PolarHBondContact O-N 3.32Å; E576-D580 VanDerWaalsContact O-N 3.1Å; D580-T582 PolarHBondContact O-N 3.33Å; D580-T582 PolarHBondContact OD1-OG1 3.47Å; D580-T582 VanDerWaalsContact OD2-CB 3.29Å; D580-T582 WeakPolarHBondContact OD2-CB 3.3Å; D580-T582 PolarHBondContact OD2-OG1 3.08Å; D580-D583 PolarHBondContact O-N 3.27Å |
| 581 | A | 50.3 | Low | 61.8 | Low | 75 Ų | 75 | 119.3 Ų | 119.3 | 62% | 0.62 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -1.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | D579 | D579-A581 PolarHBondContact O-N 3.07Š|
| 582 | T | 51.5 | Low | 59.2 | Low | 101 Ų | 101 | 121.2 Ų | 121.2 | 62% | 0.62 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -27.4 | 173.3 | 2.7 | 0 | 0 | 0 | 0 | 114 | D580 F584 | D580-T582 PolarHBondContact O-N 3.33Å; D580-T582 PolarHBondContact OD1-OG1 3.47Å; D580-T582 VanDerWaalsContact OD2-CB 3.29Å; D580-T582 WeakPolarHBondContact OD2-CB 3.3Å; D580-T582 PolarHBondContact OD2-OG1 3.08Å; T582-F584 VanDerWaalsContact C-N 3.31Å |
| 583 | D | 46.4 | Very low | 56.6 | Low | 136 Ų | 136 | 124 Ų | 124 | 73% | 0.727 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -83.9 | -7.3 | 178.8 | -155.3 | 40 | 0 | 0 | 0 | 113.1 | D580 P585 | D580-D583 PolarHBondContact O-N 3.27Å; D583-P585 WeakPolarHBondContact O-CD 3.44Å |
| 584 | F | 46.6 | Very low | 54 | Low | 147 Ų | 147 | 128.7 Ų | 128.7 | 65% | 0.645 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -67.7 | 120.2 | 156.1 | -77.6 | -83.7 | 0 | 0 | 0 | 109.1 | T582 T586 | T582-F584 VanDerWaalsContact C-N 3.31Å; F584-T586 PolarHBondContact O-N 2.87Å |
| 585 | P | 43.8 | Very low | 52 | Low | 119 Ų | 119 | 132.1 Ų | 132.1 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | | | trans | -62 | 103.2 | -172.9 | 22.5 | -33.4 | 0 | 0 | 0 | 111.2 | D583 S587 | D583-P585 WeakPolarHBondContact O-CD 3.44Å; P585-S587 PolarHBondContact O-N 3.45Å |
| 586 | T | 44.4 | Very low | 49.7 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 66% | 0.663 | 71% | 0.709 | S | S | * | * | | | trans | -60.8 | 125.8 | -177.6 | -66.2 | 0 | 0 | 0 | 0 | 108.8 | F584 K588 E589 | F584-T586 PolarHBondContact O-N 2.87Å; T586-K588 PolarHBondContact O-N 3.05Å; T586-E589 PolarHBondContact O-N 2.85Å |
| 587 | S | 50.6 | Low | 47.6 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 25.8 | -142.8 | 58.7 | 0 | 0 | 0 | 0 | 118.9 | P585 | P585-S587 PolarHBondContact O-N 3.45Š|
| 588 | K | 46.8 | Very low | 46 | Very low | 198 Ų | 198 | 136.2 Ų | 136.2 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.4 | -9 | 174.9 | -71.9 | -165.3 | 174.6 | -177.1 | 0 | 116.4 | T586 L590 | T586-K588 PolarHBondContact O-N 3.05Å; K588-L590 PolarHBondContact O-N 2.59Å |
| 589 | E | 38.7 | Very low | 45.1 | Very low | 161 Ų | 161 | 132 Ų | 132 | 75% | 0.752 | 71% | 0.712 | S | S | * | * | | | trans | -86.2 | 100.6 | 176.2 | -170.6 | 143.1 | -148.2 | 0 | 0 | 110.7 | T586 Q591 | T586-E589 PolarHBondContact O-N 2.85Å; E589-Q591 HydrophobicContact CG-CG 4.14Å; E589-Q591 PolarHBondContact O-N 2.8Å |
| 590 | L | 49.8 | Very low | 44.5 | Very low | 170 Ų | 170 | 129.8 Ų | 129.8 | 89% | 0.89 | 72% | 0.718 | S | S | * | * | | | trans | -71.4 | 77.7 | 165.7 | -78.2 | 167.4 | 0 | 0 | 0 | 109 | K588 H592 | K588-L590 PolarHBondContact O-N 2.59Å; L590-H592 PolarHBondContact O-N 3.47Å |
| 591 | Q | 44.4 | Very low | 44.7 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | | | trans | -58.8 | 126.9 | 159.4 | -73.4 | -151.9 | 24.7 | 0 | 0 | 108.3 | E589 F593 | E589-Q591 HydrophobicContact CG-CG 4.14Å; E589-Q591 PolarHBondContact O-N 2.8Å; Q591-F593 PolarHBondContact O-N 3.35Å |
| 592 | H | 36.5 | Very low | 45.1 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 80% | 0.801 | 73% | 0.731 | S | S | * | * | | | trans | -73.5 | 93.3 | 179.4 | -131.2 | -88.5 | 0 | 0 | 0 | 107.8 | L590 N594 | L590-H592 PolarHBondContact O-N 3.47Å; H592-N594 PolarHBondContact O-N 3.28Å |
| 593 | F | 35.9 | Very low | 45.1 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | | | trans | -53.4 | 125.4 | 172.2 | -81.9 | -86.3 | 0 | 0 | 0 | 109.1 | Q591 I595 | Q591-F593 PolarHBondContact O-N 3.35Å; F593-I595 PolarHBondContact O-N 2.84Å |
| 594 | N | 33.4 | Very low | 45.9 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 78% | 0.775 | 72% | 0.721 | S | S | * | * | | | trans | -61.9 | 138.6 | 175.5 | -85.3 | -50.4 | 0 | 0 | 0 | 109.3 | H592 N596 | H592-N594 PolarHBondContact O-N 3.28Å; N594-N596 PolarHBondContact O-N 3.32Å |
| 595 | I | 45.7 | Very low | 47.2 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 80% | 0.795 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 3.8 | -153.1 | -67.5 | 164.4 | 0 | 0 | 0 | 114.7 | F593 | F593-I595 PolarHBondContact O-N 2.84Š|
| 596 | N | 40 | Very low | 48.6 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 82% | 0.824 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | 2.7 | -168.3 | -66.1 | -11 | 0 | 0 | 0 | 115.4 | N594 | N594-N596 PolarHBondContact O-N 3.32Š|
| 597 | T | 38.8 | Very low | 50 | Low | 106 Ų | 106 | 131 Ų | 131 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -89.7 | 123.2 | 171.5 | -37 | 0 | 0 | 0 | 0 | 109.6 | S599 | T597-S599 PolarHBondContact O-N 3.19Š|
| 598 | P | 42 | Very low | 51.4 | Low | 116 Ų | 116 | 129.9 Ų | 129.9 | 75% | 0.753 | 68% | 0.677 | S | S | * | * | | | trans | -65.7 | 128.2 | 179.6 | 26.4 | -33.6 | 0 | 0 | 0 | 110.8 | G600 | P598-G600 PolarHBondContact O-N 3.14Š|
| 599 | S | 49.4 | Very low | 53 | Low | 64 Ų | 64 | 123.2 Ų | 123.2 | 45% | 0.448 | 65% | 0.65 | S | S | . | * | | | trans | -76.3 | 92.3 | -177.2 | 174 | 0 | 0 | 0 | 0 | 110.9 | T597 F601 E602 | T597-S599 PolarHBondContact O-N 3.19Å; S599-F601 PolarHBondContact O-N 3.07Å; S599-E602 WeakPolarHBondContact O-CG 3.46Å; S599-E602 PolarHBondContact O-N 2.81Å |
| 600 | G | 49.6 | Very low | 54.8 | Low | 72 Ų | 72 | 122.6 Ų | 122.6 | 74% | 0.742 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | 3.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P598 | P598-G600 PolarHBondContact O-N 3.14Š|
| 601 | F | 53.6 | Low | 56.6 | Low | 145 Ų | 145 | 119.1 Ų | 119.1 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 3 | -179.5 | -67.9 | -76.4 | 0 | 0 | 0 | 114.1 | S599 H603 I604 | S599-F601 PolarHBondContact O-N 3.07Å; F601-H603 PolarHBondContact O-N 3.07Å; F601-I604 HydrophobicContact CD1-CD1 3.62Å; F601-I604 HydrophobicContact CD1-CG1 4.09Å; F601-I604 HydrophobicContact CE1-CD1 3.89Å; F601-I604 PolarHBondContact O-N 2.85Å; F601-I604 VanDerWaalsContact O-N 3.13Å |
| 602 | E | 58.7 | Low | 58.6 | Low | 150 Ų | 150 | 115.9 Ų | 115.9 | 70% | 0.701 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -5.1 | 178.5 | -76.5 | 175.4 | -155.1 | 0 | 0 | 115.1 | S599 | S599-E602 WeakPolarHBondContact O-CG 3.46Å; S599-E602 PolarHBondContact O-N 2.81Å |
| 603 | H | 53 | Low | 60.9 | Low | 170 Ų | 170 | 115.7 Ų | 115.7 | 79% | 0.787 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.9 | -5.6 | 178.5 | -60.5 | -10.7 | 0 | 0 | 0 | 114 | F601 T605 | F601-H603 PolarHBondContact O-N 3.07Å; H603-T605 PolarHBondContact O-N 2.91Å |
| 604 | I | 62.3 | Low | 63.2 | Low | 70 Ų | 70 | 112.8 Ų | 112.8 | 36% | 0.359 | 59% | 0.594 | S | S | . | * | | | trans | -85.3 | 113 | 176.6 | -49.5 | -160.6 | 0 | 0 | 0 | 109.2 | F601 E608 L609 | F601-I604 HydrophobicContact CD1-CD1 3.62Å; F601-I604 HydrophobicContact CD1-CG1 4.09Å; F601-I604 HydrophobicContact CE1-CD1 3.89Å; F601-I604 PolarHBondContact O-N 2.85Å; F601-I604 VanDerWaalsContact O-N 3.13Å; I604-E608 HydrophobicContact CG2-CB 3.65Å; I604-L609 HydrophobicContact CB-CD2 4.49Å; I604-L609 HydrophobicContact CG2-CD2 3.85Å; I604-L609 HydrophobicContact CG2-CG 3.86Å |
| 605 | T | 74 | Confident | 65.9 | Low | 70 Ų | 70 | 110 Ų | 110 | 43% | 0.429 | 58% | 0.579 | S | S | . | * | | | trans | -77.8 | 157 | -176.4 | 67.4 | 0 | 0 | 0 | 0 | 112.1 | H603 P607 E608 L609 | H603-T605 PolarHBondContact O-N 2.91Å; T605-P607 VanDerWaalsContact C-CD 3.47Å; T605-P607 VanDerWaalsContact C-N 3.35Å; T605-P607 WeakPolarHBondContact OG1-CD 3.29Å; T605-P607 WeakPolarHBondContact OG1-CG 3.14Å; T605-E608 VanDerWaalsContact CB-OE2 3.3Å; T605-E608 WeakPolarHBondContact CB-OE2 3.46Å; T605-E608 WeakPolarHBondContact CG2-OE2 3.47Å; T605-E608 PolarHBondContact N-OE2 2.89Å; T605-E608 WeakPolarHBondContact O-CA 3.44Å; T605-E608 WeakPolarHBondContact O-CB 3.47Å; T605-E608 PolarHBondContact O-N 2.9Å; T605-E608 PolarHBondContact OG1-OE2 3.24Å; T605-L609 PolarHBondContact O-N 3.25Å |
| 606 | D | 73.5 | Confident | 67.6 | Low | 115 Ų | 115 | 106.7 Ų | 106.7 | 62% | 0.615 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -48 | -41.6 | 174.8 | -95.1 | -28.7 | 0 | 0 | 0 | 115.7 | R610 | D606-R610 WeakPolarHBondContact O-CB 3.38Å; D606-R610 PolarHBondContact O-N 3.28Å |
| 607 | P | 73.3 | Confident | 69.5 | Low | 76 Ų | 76 | 103.1 Ų | 103.1 | 49% | 0.494 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.2 | -29.3 | 173.8 | 25.6 | -34.2 | 0 | 0 | 0 | 113.8 | T605 R610 L611 | T605-P607 VanDerWaalsContact C-CD 3.47Å; T605-P607 VanDerWaalsContact C-N 3.35Å; T605-P607 WeakPolarHBondContact OG1-CD 3.29Å; T605-P607 WeakPolarHBondContact OG1-CG 3.14Å; P607-R610 WeakPolarHBondContact O-CB 3.39Å; P607-R610 PolarHBondContact O-N 2.93Å; P607-L611 WeakPolarHBondContact O-CB 3.29Å; P607-L611 PolarHBondContact O-N 2.92Å |
| 608 | E | 79.6 | Confident | 71.3 | Confident | 93 Ų | 93 | 103.9 Ų | 103.9 | 44% | 0.435 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -74.7 | -41.9 | 174.6 | -67.9 | 161.8 | 132.6 | 0 | 0 | 110.9 | I604 T605 R610 L611 V612 | I604-E608 HydrophobicContact CG2-CB 3.65Å; T605-E608 VanDerWaalsContact CB-OE2 3.3Å; T605-E608 WeakPolarHBondContact CB-OE2 3.46Å; T605-E608 WeakPolarHBondContact CG2-OE2 3.47Å; T605-E608 PolarHBondContact N-OE2 2.89Å; T605-E608 WeakPolarHBondContact O-CA 3.44Å; T605-E608 WeakPolarHBondContact O-CB 3.47Å; T605-E608 PolarHBondContact O-N 2.9Å; T605-E608 PolarHBondContact OG1-OE2 3.24Å; E608-R610 PolarHBondContact O-N 3.25Å; E608-L611 PolarHBondContact O-N 2.95Å; E608-L611 VanDerWaalsContact O-N 3.13Å; E608-V612 WeakPolarHBondContact O-CG2 3.29Å; E608-V612 PolarHBondContact O-N 3.15Å |
| 609 | L | 79.9 | Confident | 73 | Confident | 58 Ų | 58 | 102.8 Ų | 102.8 | 30% | 0.304 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.4 | -33.7 | 168.9 | -69.8 | 177.8 | 0 | 0 | 0 | 112 | I604 T605 R613 | I604-L609 HydrophobicContact CB-CD2 4.49Å; I604-L609 HydrophobicContact CG2-CD2 3.85Å; I604-L609 HydrophobicContact CG2-CG 3.86Å; T605-L609 PolarHBondContact O-N 3.25Å; L609-R613 WeakPolarHBondContact O-CB 3.28Å; L609-R613 VanDerWaalsContact O-CD 3.29Å; L609-R613 WeakPolarHBondContact O-CD 3.29Å; L609-R613 WeakPolarHBondContact O-CG 3.39Å; L609-R613 PolarHBondContact O-N 3.11Å |
| 610 | R | 78.2 | Confident | 74.1 | Confident | 147 Ų | 147 | 102.9 Ų | 102.9 | 56% | 0.555 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.4 | -45 | 171.8 | -172 | -177.9 | -59.6 | 109.3 | 7.7 | 111.5 | D606 P607 E608 R613 E614 | D606-R610 WeakPolarHBondContact O-CB 3.38Å; D606-R610 PolarHBondContact O-N 3.28Å; P607-R610 WeakPolarHBondContact O-CB 3.39Å; P607-R610 PolarHBondContact O-N 2.93Å; E608-R610 PolarHBondContact O-N 3.25Å; R610-R613 PolarHBondContact O-N 2.76Å; R610-E614 WeakPolarHBondContact O-CB 3.45Å; R610-E614 PolarHBondContact O-N 3.36Å |
| 611 | L | 86.9 | Confident | 74.7 | Confident | 97 Ų | 97 | 102 Ų | 102 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 177.2 | -179.5 | 62.9 | 0 | 0 | 0 | 111.5 | P607 E608 R613 E614 L615 | P607-L611 WeakPolarHBondContact O-CB 3.29Å; P607-L611 PolarHBondContact O-N 2.92Å; E608-L611 PolarHBondContact O-N 2.95Å; E608-L611 VanDerWaalsContact O-N 3.13Å; L611-R613 PolarHBondContact O-N 3.1Å; L611-E614 PolarHBondContact O-N 3.01Å; L611-L615 HydrophobicContact CD1-CD1 4.29Å; L611-L615 HydrophobicContact CD1-CG 4.31Å; L611-L615 HydrophobicContact CG-CD1 4.02Å; L611-L615 HydrophobicContact CG-CG 4.48Å; L611-L615 WeakPolarHBondContact O-CB 3.26Å; L611-L615 VanDerWaalsContact O-CG 3.29Å; L611-L615 WeakPolarHBondContact O-CG 3.4Å; L611-L615 PolarHBondContact O-N 3.36Å |
| 612 | V | 85.9 | Confident | 75.1 | Confident | 80 Ų | 80 | 97.6 Ų | 97.6 | 49% | 0.485 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 174 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | E608 E614 L615 V616 | E608-V612 WeakPolarHBondContact O-CG2 3.29Å; E608-V612 PolarHBondContact O-N 3.15Å; V612-E614 VanDerWaalsContact C-N 3.34Å; V612-E614 PolarHBondContact O-N 3.05Å; V612-L615 PolarHBondContact O-N 2.7Å; V612-V616 HydrophobicContact CG1-CG2 4.43Å; V612-V616 WeakPolarHBondContact O-CB 3.34Å; V612-V616 VanDerWaalsContact O-CG2 3.28Å; V612-V616 WeakPolarHBondContact O-CG2 3.37Å; V612-V616 PolarHBondContact O-N 3.28Å |
| 613 | R | 86.1 | Confident | 75.2 | Confident | 168 Ų | 168 | 98.5 Ų | 98.5 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.4 | -37.4 | 175.4 | -70.9 | 163.8 | -171 | 167.8 | 6.3 | 112.5 | L609 R610 L611 S617 | L609-R613 WeakPolarHBondContact O-CB 3.28Å; L609-R613 VanDerWaalsContact O-CD 3.29Å; L609-R613 WeakPolarHBondContact O-CD 3.29Å; L609-R613 WeakPolarHBondContact O-CG 3.39Å; L609-R613 PolarHBondContact O-N 3.11Å; R610-R613 PolarHBondContact O-N 2.76Å; L611-R613 PolarHBondContact O-N 3.1Å; R613-S617 VanDerWaalsContact O-CB 3.26Å; R613-S617 WeakPolarHBondContact O-CB 3.36Å; R613-S617 PolarHBondContact O-N 3.45Å |
| 614 | E | 83.5 | Confident | 75.3 | Confident | 118 Ų | 118 | 95.8 Ų | 95.8 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.6 | -42.7 | 177.3 | -172.7 | 164.1 | -173.3 | 0 | 0 | 111.8 | R610 L611 V612 S617 M618 | R610-E614 WeakPolarHBondContact O-CB 3.45Å; R610-E614 PolarHBondContact O-N 3.36Å; L611-E614 PolarHBondContact O-N 3.01Å; V612-E614 VanDerWaalsContact C-N 3.34Å; V612-E614 PolarHBondContact O-N 3.05Å; E614-S617 PolarHBondContact O-N 2.91Å; E614-M618 WeakPolarHBondContact O-CB 3.41Å; E614-M618 PolarHBondContact O-N 3.33Å |
| 615 | L | 89.1 | Confident | 74.8 | Confident | 86 Ų | 86 | 97.3 Ų | 97.3 | 45% | 0.45 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 172.7 | -72.9 | 169.4 | 0 | 0 | 0 | 111.7 | L611 V612 S617 M618 V619 | L611-L615 HydrophobicContact CD1-CD1 4.29Å; L611-L615 HydrophobicContact CD1-CG 4.31Å; L611-L615 HydrophobicContact CG-CD1 4.02Å; L611-L615 HydrophobicContact CG-CG 4.48Å; L611-L615 WeakPolarHBondContact O-CB 3.26Å; L611-L615 VanDerWaalsContact O-CG 3.29Å; L611-L615 WeakPolarHBondContact O-CG 3.4Å; L611-L615 PolarHBondContact O-N 3.36Å; V612-L615 PolarHBondContact O-N 2.7Å; L615-S617 VanDerWaalsContact C-N 3.3Å; L615-S617 PolarHBondContact O-N 3.29Å; L615-M618 PolarHBondContact O-N 3.41Å; L615-V619 WeakPolarHBondContact O-CB 3.38Å; L615-V619 VanDerWaalsContact O-CG2 3.32Å; L615-V619 WeakPolarHBondContact O-CG2 3.44Å; L615-V619 PolarHBondContact O-N 3.13Å |
| 616 | V | 81.9 | Confident | 73.5 | Confident | 86 Ų | 86 | 101.3 Ų | 101.3 | 52% | 0.521 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63 | -37.1 | 175.2 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | V612 S620 | V612-V616 HydrophobicContact CG1-CG2 4.43Å; V612-V616 WeakPolarHBondContact O-CB 3.34Å; V612-V616 VanDerWaalsContact O-CG2 3.28Å; V612-V616 WeakPolarHBondContact O-CG2 3.37Å; V612-V616 PolarHBondContact O-N 3.28Å; V616-S620 VanDerWaalsContact O-CB 3.26Å; V616-S620 WeakPolarHBondContact O-CB 3.26Å; V616-S620 PolarHBondContact O-N 3.48Å; V616-S620 PolarHBondContact O-OG 3.1Å |
| 617 | S | 79.4 | Confident | 72.1 | Confident | 79 Ų | 79 | 103.1 Ų | 103.1 | 55% | 0.552 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.5 | -42.8 | 173.8 | -171.5 | 0 | 0 | 0 | 0 | 112 | R613 E614 L615 S620 A621 | R613-S617 VanDerWaalsContact O-CB 3.26Å; R613-S617 WeakPolarHBondContact O-CB 3.36Å; R613-S617 PolarHBondContact O-N 3.45Å; E614-S617 PolarHBondContact O-N 2.91Å; L615-S617 VanDerWaalsContact C-N 3.3Å; L615-S617 PolarHBondContact O-N 3.29Å; S617-S620 PolarHBondContact O-N 3.47Å; S617-A621 WeakPolarHBondContact O-CB 3.45Å; S617-A621 PolarHBondContact O-N 3.29Å |
| 618 | M | 76.7 | Confident | 70.4 | Confident | 122 Ų | 122 | 106.9 Ų | 106.9 | 60% | 0.601 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.2 | -44.2 | 173 | -86.2 | 176.9 | 46.5 | 0 | 0 | 112.7 | E614 L615 A621 A622 | E614-M618 WeakPolarHBondContact O-CB 3.41Å; E614-M618 PolarHBondContact O-N 3.33Å; L615-M618 PolarHBondContact O-N 3.41Å; M618-A621 PolarHBondContact O-N 3.14Å; M618-A622 VanDerWaalsContact O-CB 3.29Å; M618-A622 WeakPolarHBondContact O-CB 3.41Å; M618-A622 PolarHBondContact O-N 3.11Å |
| 619 | V | 78.8 | Confident | 68.4 | Low | 93 Ų | 93 | 107.5 Ų | 107.5 | 56% | 0.564 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.3 | -38.6 | 177.9 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | L615 A622 K623 | L615-V619 WeakPolarHBondContact O-CB 3.38Å; L615-V619 VanDerWaalsContact O-CG2 3.32Å; L615-V619 WeakPolarHBondContact O-CG2 3.44Å; L615-V619 PolarHBondContact O-N 3.13Å; V619-A622 PolarHBondContact O-N 3.41Å; V619-K623 PolarHBondContact O-N 3.35Å |
| 620 | S | 71.7 | Confident | 66.8 | Low | 65 Ų | 65 | 111.5 Ų | 111.5 | 46% | 0.455 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.9 | -45.2 | 173.8 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | V616 S617 A622 K623 V624 | V616-S620 VanDerWaalsContact O-CB 3.26Å; V616-S620 WeakPolarHBondContact O-CB 3.26Å; V616-S620 PolarHBondContact O-N 3.48Å; V616-S620 PolarHBondContact O-OG 3.1Å; S617-S620 PolarHBondContact O-N 3.47Å; S620-A622 VanDerWaalsContact C-N 3.32Å; S620-A622 PolarHBondContact O-N 3.45Å; S620-K623 PolarHBondContact O-N 3.19Å; S620-V624 WeakPolarHBondContact O-CG2 3.32Å; S620-V624 PolarHBondContact O-N 2.99Å; S620-V624 VanDerWaalsContact O-N 3.11Å |
| 621 | A | 63.4 | Low | 65.1 | Low | 55 Ų | 55 | 107.8 Ų | 107.8 | 46% | 0.455 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.4 | -39.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S617 M618 V624 T625 | S617-A621 WeakPolarHBondContact O-CB 3.45Å; S617-A621 PolarHBondContact O-N 3.29Å; M618-A621 PolarHBondContact O-N 3.14Å; A621-V624 PolarHBondContact O-N 3.36Å; A621-T625 WeakPolarHBondContact O-CG2 3.5Å; A621-T625 PolarHBondContact O-N 3.07Å; A621-T625 PolarHBondContact O-OG1 3.24Å |
| 622 | A | 61.8 | Low | 62.9 | Low | 51 Ų | 51 | 111 Ų | 111 | 42% | 0.421 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.1 | -47.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | M618 V619 S620 V624 T625 L626 | M618-A622 VanDerWaalsContact O-CB 3.29Å; M618-A622 WeakPolarHBondContact O-CB 3.41Å; M618-A622 PolarHBondContact O-N 3.11Å; V619-A622 PolarHBondContact O-N 3.41Å; S620-A622 VanDerWaalsContact C-N 3.32Å; S620-A622 PolarHBondContact O-N 3.45Å; A622-V624 VanDerWaalsContact C-N 3.27Å; A622-V624 PolarHBondContact O-N 3.2Å; A622-T625 WeakPolarHBondContact CA-OG1 3.43Å; A622-T625 PolarHBondContact O-N 3.26Å; A622-T625 PolarHBondContact O-OG1 2.75Å; A622-L626 PolarHBondContact O-N 3.16Å; A622-L626 VanDerWaalsContact O-N 3.08Å |
| 623 | K | 60.9 | Low | 60.8 | Low | 169 Ų | 169 | 111.2 Ų | 111.2 | 74% | 0.735 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -53.7 | -43.3 | 172.2 | -102.2 | -170.6 | 171.9 | -174.6 | 0 | 111.2 | V619 S620 L626 | V619-K623 PolarHBondContact O-N 3.35Å; S620-K623 PolarHBondContact O-N 3.19Å; K623-L626 PolarHBondContact O-N 3.4Å |
| 624 | V | 54.1 | Low | 58.9 | Low | 114 Ų | 114 | 110.2 Ų | 110.2 | 69% | 0.691 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.6 | -35.4 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 112.6 | S620 A621 A622 L626 | S620-V624 WeakPolarHBondContact O-CG2 3.32Å; S620-V624 PolarHBondContact O-N 2.99Å; S620-V624 VanDerWaalsContact O-N 3.11Å; A621-V624 PolarHBondContact O-N 3.36Å; A622-V624 VanDerWaalsContact C-N 3.27Å; A622-V624 PolarHBondContact O-N 3.2Å; V624-L626 VanDerWaalsContact C-N 3.35Å |
| 625 | T | 53.2 | Low | 57 | Low | 101 Ų | 101 | 108.9 Ų | 108.9 | 62% | 0.62 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -73.6 | -20.9 | 177.5 | 53.2 | 0 | 0 | 0 | 0 | 114.6 | A621 A622 I627 | A621-T625 WeakPolarHBondContact O-CG2 3.5Å; A621-T625 PolarHBondContact O-N 3.07Å; A621-T625 PolarHBondContact O-OG1 3.24Å; A622-T625 WeakPolarHBondContact CA-OG1 3.43Å; A622-T625 PolarHBondContact O-N 3.26Å; A622-T625 PolarHBondContact O-OG1 2.75Å; T625-I627 PolarHBondContact O-N 3.3Å |
| 626 | L | 45.1 | Very low | 55 | Low | 155 Ų | 155 | 112 Ų | 112 | 81% | 0.812 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -17.5 | -177.2 | -157.6 | 66.7 | 0 | 0 | 0 | 113.1 | A622 K623 V624 R628 | A622-L626 PolarHBondContact O-N 3.16Å; A622-L626 VanDerWaalsContact O-N 3.08Å; K623-L626 PolarHBondContact O-N 3.4Å; V624-L626 VanDerWaalsContact C-N 3.35Å; L626-R628 VanDerWaalsContact C-N 3.28Å; L626-R628 PolarHBondContact O-N 3.41Å |
| 627 | I | 44.9 | Very low | 52.9 | Low | 153 Ų | 153 | 112 Ų | 112 | 79% | 0.785 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | 34.8 | 178.3 | -34.7 | -177.8 | 0 | 0 | 0 | 111.8 | T625 | T625-I627 PolarHBondContact O-N 3.3Š|
| 628 | R | 38 | Very low | 51.1 | Low | 155 Ų | 155 | 115.2 Ų | 115.2 | 59% | 0.585 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -138.1 | 109 | 170.1 | -166.8 | 176.9 | -171.1 | 123.2 | 1.8 | 111.7 | L626 E632 | L626-R628 VanDerWaalsContact C-N 3.28Å; L626-R628 PolarHBondContact O-N 3.41Å; R628-E632 PolarHBondContact NE-O 3.36Å; R628-E632 PolarHBondContact NH2-O 3.48Å |
| 629 | P | 37.6 | Very low | 49.3 | Very low | 105 Ų | 105 | 113.5 Ų | 113.5 | 68% | 0.682 | 70% | 0.698 | S | S | * | * | | | trans | -67.6 | 149.5 | 177.4 | 27.9 | -34.4 | 0 | 0 | 0 | 111.7 | G631 | P629-G631 VanDerWaalsContact C-N 3.25Å; P629-G631 PolarHBondContact O-N 2.94Å |
| 630 | P | 45.2 | Very low | 47.1 | Very low | 143 Ų | 143 | 114.8 Ų | 114.8 | 93% | 0.929 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 70.1 | -178.3 | 33 | -36.5 | 0 | 0 | 0 | 111.9 | | |
| 631 | G | 42.1 | Very low | 45.2 | Very low | 68 Ų | 68 | 124 Ų | 124 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.5 | -34.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | P629 | P629-G631 VanDerWaalsContact C-N 3.25Å; P629-G631 PolarHBondContact O-N 2.94Å |
| 632 | E | 41.6 | Very low | 43.5 | Very low | 164 Ų | 164 | 127.4 Ų | 127.4 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | | | trans | -128.5 | 82.7 | -173.9 | -65.9 | -173.3 | 172.4 | 0 | 0 | 111.8 | R628 | R628-E632 PolarHBondContact NE-O 3.36Å; R628-E632 PolarHBondContact NH2-O 3.48Å |
| 633 | A | 42.3 | Very low | 42.1 | Very low | 85 Ų | 85 | 128.1 Ų | 128.1 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | | | trans | -126.2 | 2.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 634 | T | 45.3 | Very low | 40.6 | Very low | 148 Ų | 148 | 128.4 Ų | 128.4 | 91% | 0.908 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -114.5 | 43.7 | -173.5 | -35.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 635 | A | 44.3 | Very low | 39.5 | Very low | 89 Ų | 89 | 127.2 Ų | 127.2 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -150.7 | -28.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 636 | I | 46 | Very low | 38.8 | Very low | 151 Ų | 151 | 128.7 Ų | 128.7 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -131.6 | 73.1 | -168.1 | -44.4 | 179.9 | 0 | 0 | 0 | 110.9 | | |
| 637 | A | 38.7 | Very low | 37.9 | Very low | 88 Ų | 88 | 129.8 Ų | 129.8 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -147 | 21.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 638 | T | 41.3 | Very low | 37.4 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -126.9 | 26.8 | -176.4 | 47.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 639 | A | 38.9 | Very low | 37.2 | Very low | 87 Ų | 87 | 130.2 Ų | 130.2 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -161.7 | 135.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 640 | S | 33.8 | Very low | 36.9 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | | | cis | -146.1 | 141.2 | 16.6 | -60.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 641 | R | 31.8 | Very low | 36.1 | Very low | 257 Ų | 257 | 133.7 Ų | 133.7 | 97% | 0.97 | 81% | 0.806 | S | S | * | * | | | trans | -151.6 | 84.2 | 171.3 | -153.7 | 177.2 | -163 | -126.3 | 4.4 | 114.8 | | |
| 642 | S | 27.4 | Very low | 35.9 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | | | trans | -165.9 | 138.7 | 155.2 | -169.6 | 0 | 0 | 0 | 0 | 108 | | |
| 643 | G | 31.4 | Very low | 35.5 | Very low | 66 Ų | 66 | 140.7 Ų | 140.7 | 68% | 0.68 | 82% | 0.822 | S | S | * | * | | | cis | 151.3 | 107.2 | -2.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 644 | I | 30.6 | Very low | 35 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | | | trans | -135.8 | 120.6 | 174 | -57 | 179.8 | 0 | 0 | 0 | 108.6 | | |
| 645 | A | 30.3 | Very low | 34.3 | Very low | 89 Ų | 89 | 143.6 Ų | 143.6 | 74% | 0.736 | 83% | 0.825 | S | S | * | * | | | trans | -136.7 | 140.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 646 | P | 37.5 | Very low | 33.7 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | | | trans | -74.5 | 143.5 | -173.7 | 28.9 | -34 | 0 | 0 | 0 | 113.2 | | |
| 647 | E | 26.2 | Very low | 33.1 | Very low | 178 Ų | 178 | 147.8 Ų | 147.8 | 83% | 0.832 | 84% | 0.838 | S | S | * | * | | | trans | -69 | 135.3 | -176.4 | 172.1 | -177.3 | 177.6 | 0 | 0 | 114.6 | | |
| 648 | V | 35.3 | Very low | 32.7 | Very low | 135 Ų | 135 | 155.5 Ų | 155.5 | 82% | 0.818 | 85% | 0.849 | S | S | * | * | | | trans | -140.9 | 102.4 | 154.1 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 649 | Q | 34.1 | Very low | 32.2 | Very low | 182 Ų | 182 | 157.1 Ų | 157.1 | 85% | 0.85 | 85% | 0.846 | S | S | * | * | | | trans | 46.9 | 157.2 | 147.9 | -57.7 | -169.2 | 5.4 | 0 | 0 | 122.8 | | |
| 650 | R | 32 | Very low | 31.9 | Very low | 255 Ų | 255 | 159.4 Ų | 159.4 | 96% | 0.962 | 85% | 0.851 | S | S | * | * | | | trans | -97.2 | 146.9 | -171.4 | -70.5 | 176.7 | 167.2 | 126.6 | -6 | 113.8 | | |
| 651 | G | 27.4 | Very low | 31.9 | Very low | 66 Ų | 66 | 160.6 Ų | 160.6 | 68% | 0.68 | 85% | 0.846 | S | S | * | * | | | trans | -125.7 | 157.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 652 | P | 38.4 | Very low | 31.7 | Very low | 135 Ų | 135 | 156.2 Ų | 156.2 | 88% | 0.877 | 84% | 0.837 | S | S | * | * | | | trans | -79.5 | 153.6 | -168.8 | 31.2 | -35.6 | 0 | 0 | 0 | 114.7 | | |
| 653 | R | 32.5 | Very low | 31.9 | Very low | 245 Ų | 245 | 161.4 Ų | 161.4 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | | | trans | -86.9 | 148.6 | 174.7 | -71.8 | 177.7 | 167.9 | 176 | -5.3 | 112.2 | | |
| 654 | T | 32.7 | Very low | 31.8 | Very low | 140 Ų | 140 | 163.6 Ų | 163.6 | 86% | 0.859 | 84% | 0.837 | S | S | * | * | | | trans | -114.9 | 152.8 | 156.7 | 49.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 655 | N | 29.3 | Very low | 31.7 | Very low | 153 Ų | 153 | 166.1 Ų | 166.1 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | | | trans | -83.1 | 140.4 | -173.6 | -65.7 | -67.5 | 0 | 0 | 0 | 112.5 | | |
| 656 | M | 32.9 | Very low | 32 | Very low | 191 Ų | 191 | 170.8 Ų | 170.8 | 94% | 0.941 | 84% | 0.84 | S | S | * | * | | | trans | -148.9 | 149.8 | 138.7 | -80.7 | -51.1 | 155.5 | 0 | 0 | 110 | | |
| 657 | T | 32.1 | Very low | 31.9 | Very low | 137 Ų | 137 | 170.7 Ų | 170.7 | 84% | 0.84 | 84% | 0.84 | S | S | * | * | | | trans | -112.9 | 140.1 | -174.8 | 36.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 658 | R | 29.9 | Very low | 32.1 | Very low | 250 Ų | 250 | 165.9 Ų | 165.9 | 94% | 0.943 | 84% | 0.838 | S | S | * | * | | | trans | -145.4 | 159.5 | 154.6 | -119.4 | 177.3 | -168.4 | -89.1 | -2.7 | 111.5 | | |
| 659 | Q | 32.8 | Very low | 31.9 | Very low | 179 Ų | 179 | 166.8 Ų | 166.8 | 84% | 0.836 | 84% | 0.844 | S | S | * | * | | | trans | -98.4 | 148.9 | -151.8 | -61 | 178.4 | -0.4 | 0 | 0 | 113.7 | | |
| 660 | V | 32 | Very low | 31.8 | Very low | 135 Ų | 135 | 161.7 Ų | 161.7 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | | | trans | -85.1 | 130.8 | 166.9 | 177.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 661 | I | 33.2 | Very low | 31.7 | Very low | 145 Ų | 145 | 157.9 Ų | 157.9 | 74% | 0.744 | 83% | 0.833 | S | S | * | * | | | trans | -116.7 | 110.4 | 160.9 | -64.5 | -178.7 | 0 | 0 | 0 | 108.1 | | |
| 662 | Q | 28.3 | Very low | 31.7 | Very low | 165 Ų | 165 | 162.8 Ų | 162.8 | 77% | 0.771 | 84% | 0.839 | S | S | * | * | | | trans | -82.8 | 133.9 | 172.1 | -175.4 | 179.8 | 12.8 | 0 | 0 | 109 | | |
| 663 | R | 30.9 | Very low | 31.4 | Very low | 237 Ų | 237 | 164.1 Ų | 164.1 | 89% | 0.894 | 84% | 0.837 | S | S | * | * | | | trans | -118.5 | 144.3 | 158.2 | -78.1 | -162.7 | 177.4 | -159.1 | 1.5 | 109.9 | | |
| 664 | V | 29.1 | Very low | 31.2 | Very low | 111 Ų | 111 | 156.4 Ų | 156.4 | 67% | 0.673 | 83% | 0.826 | S | S | * | * | | | trans | -95.7 | 140.1 | -167.4 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 665 | Y | 29.5 | Very low | 31.2 | Very low | 228 Ų | 228 | 155.9 Ų | 155.9 | 89% | 0.894 | 83% | 0.825 | S | S | * | * | | | trans | -132.9 | 142.8 | 146 | -123 | -95.6 | 0 | 0 | 0 | 109.2 | | |
| 666 | K | 35.9 | Very low | 31.2 | Very low | 187 Ų | 187 | 155.1 Ų | 155.1 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | | | trans | -84.9 | 146.2 | 177.1 | -74.5 | -176 | 175.8 | -178.9 | 0 | 110.1 | | |
| 667 | P | 36.3 | Very low | 31 | Very low | 130 Ų | 130 | 151.8 Ų | 151.8 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | | | trans | -72.4 | 144.1 | 170.8 | 31.5 | -34.3 | 0 | 0 | 0 | 111.1 | | |
| 668 | G | 29.8 | Very low | 31.3 | Very low | 77 Ų | 77 | 150.8 Ų | 150.8 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | | | trans | -115.1 | 137.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 669 | T | 30.7 | Very low | 31.4 | Very low | 155 Ų | 155 | 143.8 Ų | 143.8 | 95% | 0.951 | 81% | 0.813 | S | S | * | * | | | trans | -93.9 | 136.2 | -172.1 | -47.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 670 | G | 31.8 | Very low | 31.2 | Very low | 75 Ų | 75 | 139.3 Ų | 139.3 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | | | trans | -178.7 | 133.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 671 | Q | 30.9 | Very low | 31.2 | Very low | 174 Ų | 174 | 136.3 Ų | 136.3 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | | | trans | -146.9 | 137.9 | -173 | -162.2 | -170.7 | -26.5 | 0 | 0 | 110.6 | | |
| 672 | E | 27.7 | Very low | 31.2 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | | | trans | 65.1 | 162.6 | 179.3 | -46.1 | -146.3 | 146.1 | 0 | 0 | 113.8 | | |
| 673 | I | 32 | Very low | 31.5 | Very low | 162 Ų | 162 | 134.3 Ų | 134.3 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | | | cis | -133 | 156 | 21.9 | -64.3 | 166.6 | 0 | 0 | 0 | 111.1 | | |
| 674 | A | 27.7 | Very low | 32 | Very low | 84 Ų | 84 | 131.4 Ų | 131.4 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | | | trans | -81.3 | 156.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 675 | P | 31.6 | Very low | 32.7 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | | | trans | -98 | 114.4 | 160.4 | 34.2 | -26.6 | 0 | 0 | 0 | 111.6 | | |
| 676 | T | 30.8 | Very low | 33 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | | | trans | -88.2 | 138.9 | 162.9 | 46.2 | 0 | 0 | 0 | 0 | 110 | | |
| 677 | S | 28 | Very low | 32.9 | Very low | 121 Ų | 121 | 135 Ų | 135 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | | | trans | -116.3 | 112.9 | 176.6 | -170.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 678 | P | 38.5 | Very low | 32.7 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | | | trans | -83.2 | 158.3 | 168.2 | 34.5 | -33.1 | 0 | 0 | 0 | 111 | | |
| 679 | A | 32.1 | Very low | 32.9 | Very low | 103 Ų | 103 | 143.5 Ų | 143.5 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | | | trans | -84.4 | 144.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 680 | G | 28.7 | Very low | 33 | Very low | 84 Ų | 84 | 140.5 Ų | 140.5 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | | | trans | 80.1 | 105.8 | 139 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 681 | G | 32.2 | Very low | 32.8 | Very low | 73 Ų | 73 | 141.4 Ų | 141.4 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | | | | 121.5 | 140.2 | 129.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 682 | L | 33.3 | Very low | 32.9 | Very low | 165 Ų | 165 | 141.8 Ų | 141.8 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | | | trans | 79.7 | 145.7 | 154.1 | -58.2 | 178.2 | 0 | 0 | 0 | 121.4 | | |
| 683 | D | 34.9 | Very low | 32.9 | Very low | 102 Ų | 102 | 137 Ų | 137 | 55% | 0.545 | 81% | 0.807 | S | S | . | * | | | trans | 67 | 97.1 | 152.6 | -63.8 | -38.2 | 0 | 0 | 0 | 124.6 | | |
| 684 | K | 41.6 | Very low | 32.8 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | | | | 46.7 | 103.6 | 112.3 | -59.7 | 172.4 | -164.4 | 122.3 | 0 | 118.3 | | |
| 685 | R | 42.5 | Very low | 33 | Very low | 235 Ų | 235 | 138.7 Ų | 138.7 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | | | trans | 25.8 | 102.3 | 141.3 | -54.6 | -175 | -162.6 | 177.5 | 5.5 | 117.9 | | |
| 686 | L | 35.6 | Very low | 33.8 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | | | trans | -138.5 | 92.1 | 142.7 | -81.1 | -176.5 | 0 | 0 | 0 | 110.7 | R688 | L686-R688 VanDerWaalsContact C-N 3.34Å; L686-R688 PolarHBondContact O-N 3.27Å; L686-R688 VanDerWaalsContact O-N 3.07Å |
| 687 | F | 34.1 | Very low | 33.9 | Very low | 204 Ų | 204 | 139.4 Ų | 139.4 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | | | trans | -73.8 | 90.3 | 161 | -76.9 | -78.7 | 0 | 0 | 0 | 108.7 | L689 | F687-L689 PolarHBondContact O-N 3.4Å; F687-L689 VanDerWaalsContact O-N 3.14Å |
| 688 | R | 33 | Very low | 34 | Very low | 222 Ų | 222 | 136.7 Ų | 136.7 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | trans | -78.6 | 93.3 | 168.6 | -175.4 | 173 | -70.2 | -161.4 | -0.7 | 109.1 | L686 A690 | L686-R688 VanDerWaalsContact C-N 3.34Å; L686-R688 PolarHBondContact O-N 3.27Å; L686-R688 VanDerWaalsContact O-N 3.07Å; R688-A690 PolarHBondContact O-N 3.45Å |
| 689 | L | 33.1 | Very low | 33.6 | Very low | 164 Ų | 164 | 139.3 Ų | 139.3 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | | | trans | -61.2 | 105.5 | 163 | -71.6 | 169.8 | 0 | 0 | 0 | 108.6 | F687 A691 | F687-L689 PolarHBondContact O-N 3.4Å; F687-L689 VanDerWaalsContact O-N 3.14Å; L689-A691 PolarHBondContact O-N 3.23Å; L689-A691 VanDerWaalsContact O-N 3.15Å |
| 690 | A | 33.3 | Very low | 33.6 | Very low | 91 Ų | 91 | 142.4 Ų | 142.4 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | | | trans | -79.9 | 88.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | R688 M692 | R688-A690 PolarHBondContact O-N 3.45Å; A690-M692 PolarHBondContact O-N 3.46Å |
| 691 | A | 27.1 | Very low | 33.5 | Very low | 95 Ų | 95 | 144.1 Ų | 144.1 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | | | trans | -71.7 | 112.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L689 G693 | L689-A691 PolarHBondContact O-N 3.23Å; L689-A691 VanDerWaalsContact O-N 3.15Å; A691-G693 PolarHBondContact O-N 3.35Å |
| 692 | M | 33.8 | Very low | 33.2 | Very low | 181 Ų | 181 | 144.3 Ų | 144.3 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | | | trans | -92.7 | 85 | 163.3 | -70.6 | -59.8 | -63.1 | 0 | 0 | 109.4 | A690 | A690-M692 PolarHBondContact O-N 3.46Š|
| 693 | G | 28.1 | Very low | 32.9 | Very low | 71 Ų | 71 | 142 Ų | 142 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | | | trans | -72.4 | 144.6 | 156 | 0 | 0 | 0 | 0 | 0 | 109.3 | A691 | A691-G693 PolarHBondContact O-N 3.35Š|
| 694 | G | 28.9 | Very low | 32.6 | Very low | 72 Ų | 72 | 144.4 Ų | 144.4 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | | | cis | 120.2 | 145.7 | 3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 695 | K | 32.9 | Very low | 32 | Very low | 209 Ų | 209 | 142 Ų | 142 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | | | trans | -166.6 | 157.8 | 156.3 | -109.2 | 162.4 | -175.4 | -176.8 | 0 | 110.4 | | |
| 696 | P | 46.6 | Very low | 31.5 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | trans | -112.9 | 170.3 | -154.7 | 41.7 | -35 | 0 | 0 | 0 | 114.6 | | |
| 697 | N | 32.9 | Very low | 31.2 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 92% | 0.92 | 77% | 0.774 | S | S | * | * | | | trans | -142.3 | 150.4 | 134.2 | -87 | -42.2 | 0 | 0 | 0 | 106.4 | | |
| 698 | G | 31.3 | Very low | 31 | Very low | 65 Ų | 65 | 134.6 Ų | 134.6 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | | | trans | -152.3 | -177.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 699 | N | 29.6 | Very low | 30.9 | Very low | 170 Ų | 170 | 132.7 Ų | 132.7 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | | | trans | -162.6 | 171.7 | 144.8 | -98.6 | -26 | 0 | 0 | 0 | 110.6 | | |
| 700 | L | 31.2 | Very low | 30.8 | Very low | 169 Ų | 169 | 131.3 Ų | 131.3 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | | | trans | -107.1 | 153.1 | -156 | -59.5 | 161.3 | 0 | 0 | 0 | 113.2 | | |
| 701 | S | 27.6 | Very low | 30.6 | Very low | 120 Ų | 120 | 131 Ų | 131 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | | | | -161.6 | 146.6 | 126.4 | -161.2 | 0 | 0 | 0 | 0 | 112 | | |
| 702 | A | 26.3 | Very low | 30.9 | Very low | 76 Ų | 76 | 132.8 Ų | 132.8 | 63% | 0.628 | 75% | 0.752 | S | S | * | * | | | trans | -96.1 | -168.9 | 156.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 703 | T | 27.6 | Very low | 30.6 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | | | cis | -160.3 | 159.8 | 17.2 | -22.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 704 | Q | 27.6 | Very low | 30.6 | Very low | 153 Ų | 153 | 132 Ų | 132 | 72% | 0.715 | 74% | 0.741 | S | S | * | * | | | trans | 29.9 | 128 | 148 | -92.1 | 175.8 | -83.4 | 0 | 0 | 123.8 | | |
| 705 | E | 29 | Very low | 30.7 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 58% | 0.579 | 74% | 0.737 | S | S | * | * | | | | 76 | 126.1 | 116.4 | -166.8 | 166.7 | -169 | 0 | 0 | 122.6 | L707 | E705-L707 HydrophobicContact CG-CD1 4.01Š|
| 706 | I | 32.1 | Very low | 30.7 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 80% | 0.795 | 74% | 0.735 | S | S | * | * | | | trans | -165.1 | 112.1 | 141.4 | -98.1 | 149.9 | 0 | 0 | 0 | 105.6 | | |
| 707 | L | 29.3 | Very low | 29.7 | Very low | 93 Ų | 93 | 133.6 Ų | 133.6 | 49% | 0.487 | 74% | 0.739 | S | S | . | * | | | | 51.8 | 110.4 | 96 | -77.4 | 99.9 | 0 | 0 | 0 | 114 | E705 | E705-L707 HydrophobicContact CG-CD1 4.01Š|
| 708 | R | 29.4 | Very low | 29.7 | Very low | 200 Ų | 200 | 131.3 Ų | 131.3 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | | | | 84.6 | 143.4 | 68.8 | -83.9 | -172.3 | -106.9 | 153.1 | -2.4 | 112.5 | | |
| 709 | K | 31.9 | Very low | 29.6 | Very low | 181 Ų | 181 | 133.9 Ų | 133.9 | 79% | 0.787 | 73% | 0.734 | S | S | * | * | | | trans | 74.8 | 142.7 | 177.7 | -59.3 | -53.9 | -150.9 | 143.7 | 0 | 113.9 | | |
| 710 | D | 31 | Very low | 29.5 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | | | cis | -141.7 | -173.9 | 3.3 | -88.4 | -48.6 | 0 | 0 | 0 | 109.2 | | |
| 711 | S | 28.8 | Very low | 29.4 | Very low | 85 Ų | 85 | 132.9 Ų | 132.9 | 59% | 0.594 | 73% | 0.725 | S | S | * | * | | | cis | 165.3 | 129.6 | -41.4 | -175 | 0 | 0 | 0 | 0 | 107.6 | | |
| 712 | V | 32.4 | Very low | 29.3 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | | | trans | 55.6 | 155.6 | -177.2 | -92.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 713 | D | 27.6 | Very low | 29.4 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | | | cis | -140.7 | -177.6 | 24.1 | -141.5 | -30.2 | 0 | 0 | 0 | 114.4 | | |
| 714 | S | 28.9 | Very low | 29.7 | Very low | 87 Ų | 87 | 136.2 Ų | 136.2 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | | | trans | -133.6 | 165.7 | -166.5 | -171.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 715 | N | 31.5 | Very low | 29.8 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | | | trans | 108.4 | 154.2 | 147.8 | -51.6 | -50.1 | 0 | 0 | 0 | 120.5 | | |
| 716 | H | 32.3 | Very low | 30.5 | Very low | 186 Ų | 186 | 132.4 Ų | 132.4 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | | | trans | 80.6 | 116.2 | 161.6 | -62.6 | -62.3 | 0 | 0 | 0 | 121.3 | | |
| 717 | S | 26.3 | Very low | 30.4 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | | | trans | -90.5 | -172.8 | 161.9 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 718 | V | 31.8 | Very low | 30.4 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | trans | 96.6 | 88.4 | 164.1 | -167.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 719 | V | 29.6 | Very low | 30.3 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | | 45 | 106.7 | 122.2 | -178 | 0 | 0 | 0 | 0 | 119.6 | | |
| 720 | K | 28.2 | Very low | 31.1 | Very low | 188 Ų | 188 | 123 Ų | 123 | 82% | 0.817 | 74% | 0.744 | S | S | * | * | | | | -179.2 | 134.2 | 109.5 | -113.9 | 142.2 | -176.6 | 178.6 | 0 | 116.1 | | |
| 721 | V | 27.5 | Very low | 31.4 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 79% | 0.788 | 75% | 0.751 | S | S | * | * | | | trans | 38.4 | 119.1 | 132.6 | -178.6 | 0 | 0 | 0 | 0 | 121 | | |
| 722 | A | 26.9 | Very low | 31.6 | Very low | 86 Ų | 86 | 125.5 Ų | 125.5 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | trans | 62.4 | 146.9 | 151.5 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 723 | N | 28.8 | Very low | 31.6 | Very low | 129 Ų | 129 | 124 Ų | 124 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | | | cis | -161.4 | 163.3 | 34.7 | -135.9 | -11.9 | 0 | 0 | 0 | 113 | | |
| 724 | H | 32 | Very low | 31.7 | Very low | 168 Ų | 168 | 121.6 Ų | 121.6 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | | | trans | 45.4 | 134 | 161 | -63.4 | -64.3 | 0 | 0 | 0 | 123.1 | | |
| 725 | A | 30.5 | Very low | 31.8 | Very low | 90 Ų | 90 | 124.1 Ų | 124.1 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | | | trans | -75.1 | -177 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 726 | P | 43.5 | Very low | 31.7 | Very low | 106 Ų | 106 | 125 Ų | 125 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | | | cis | -151.6 | -168.9 | 40.7 | 43.4 | -20.7 | 0 | 0 | 0 | 117.5 | | |
| 727 | T | 30.3 | Very low | 31.6 | Very low | 140 Ų | 140 | 120.9 Ų | 120.9 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | | | trans | 67.9 | 139.8 | 162.7 | 57.9 | 0 | 0 | 0 | 0 | 118.8 | | |
| 728 | G | 30.1 | Very low | 31.7 | Very low | 74 Ų | 74 | 119.8 Ų | 119.8 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | | | cis | -172.7 | 155.4 | -4.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 729 | S | 27.5 | Very low | 31.7 | Very low | 118 Ų | 118 | 122.2 Ų | 122.2 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -65.3 | 165.7 | 158.8 | -147.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 730 | P | 48.2 | Very low | 31.7 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | | | cis | -153.8 | -167.9 | 31.9 | 40.2 | -15.6 | 0 | 0 | 0 | 118.9 | | |
| 731 | K | 36.1 | Very low | 32.4 | Very low | 202 Ų | 202 | 124 Ų | 124 | 88% | 0.878 | 79% | 0.786 | S | S | * | * | | | trans | 94.1 | 139.4 | 166.9 | -56 | 168.9 | -177.8 | 175 | 0 | 115.8 | | |
| 732 | G | 34.5 | Very low | 32.5 | Very low | 70 Ų | 70 | 126.3 Ų | 126.3 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | | | cis | 158.8 | 148.2 | -10.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 733 | A | 32.8 | Very low | 32.6 | Very low | 102 Ų | 102 | 125.8 Ų | 125.8 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | 62.4 | 131.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 734 | A | 28.8 | Very low | 32.7 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | | | cis | 86.8 | 106.9 | 21.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 735 | V | 30.5 | Very low | 32.8 | Very low | 141 Ų | 141 | 124.4 Ų | 124.4 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | trans | -144 | 141.3 | 149.8 | 175.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 736 | V | 30.6 | Very low | 32.9 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | | | trans | -115.2 | 135.7 | 170.8 | 172.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 737 | A | 28.9 | Very low | 32.5 | Very low | 100 Ų | 100 | 130 Ų | 130 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | | | trans | -148.6 | 129 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 738 | A | 29.5 | Very low | 32.8 | Very low | 89 Ų | 89 | 128.1 Ų | 128.1 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | | | trans | -120 | 151.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 739 | I | 31.4 | Very low | 32.8 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | | | trans | -166 | 152.4 | 159.9 | -102.9 | 145.8 | 0 | 0 | 0 | 110.2 | | |
| 740 | R | 29.5 | Very low | 33.1 | Very low | 239 Ų | 239 | 136.9 Ų | 136.9 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | -141.5 | 128.6 | 178.9 | 162.9 | -169.7 | -127 | -155.3 | 2.5 | 109.6 | | |
| 741 | P | 42.3 | Very low | 32.2 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 69% | 0.688 | 80% | 0.803 | S | S | * | * | | | trans | -144.2 | 134.4 | 134.1 | 26.4 | -5.9 | 0 | 0 | 0 | 113.1 | | |
| 742 | Q | 30.7 | Very low | 31.8 | Very low | 180 Ų | 180 | 135.6 Ų | 135.6 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | | | | 82.1 | 110.9 | 87.6 | -68.9 | -78.2 | 24.3 | 0 | 0 | 117.5 | | |
| 743 | G | 29.1 | Very low | 31.7 | Very low | 74 Ų | 74 | 135.1 Ų | 135.1 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | | | trans | 63.6 | -176.6 | 150 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 744 | S | 29.5 | Very low | 31.6 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | | | cis | -171.2 | 143.7 | -41.1 | -160.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 745 | L | 34.2 | Very low | 31.8 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | trans | 47.1 | 120.9 | 158.3 | -67 | 166.6 | 0 | 0 | 0 | 122 | | |
| 746 | I | 33.9 | Very low | 32.5 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 92% | 0.918 | 80% | 0.799 | S | S | * | * | | | trans | -143.9 | 158.9 | 138.7 | -44.6 | 177.3 | 0 | 0 | 0 | 108.8 | | |
| 747 | N | 33.2 | Very low | 32.5 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | | | trans | -134.1 | 148.3 | -174.8 | -176.3 | 23.7 | 0 | 0 | 0 | 112.8 | | |
| 748 | S | 36.8 | Very low | 32.5 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | trans | 24.6 | 139.1 | 158.9 | -59.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 749 | F | 30.2 | Very low | 32.5 | Very low | 178 Ų | 178 | 136.5 Ų | 136.5 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | | | trans | -145.7 | 147.9 | 165.3 | -117.9 | -85.5 | 0 | 0 | 0 | 113.8 | | |
| 750 | F | 33.9 | Very low | 32.5 | Very low | 197 Ų | 197 | 138.7 Ų | 138.7 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | 70.4 | 149 | 173.1 | -60.4 | -67.8 | 0 | 0 | 0 | 120.1 | | |
| 751 | G | 29.4 | Very low | 32.3 | Very low | 67 Ų | 67 | 131.1 Ų | 131.1 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | | | trans | 171.4 | -172 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 752 | Q | 29.2 | Very low | 31.7 | Very low | 210 Ų | 210 | 131 Ų | 131 | 98% | 0.981 | 80% | 0.798 | S | S | * | * | | | trans | 66.8 | 148.4 | -176.1 | -58.4 | -172.4 | -22 | 0 | 0 | 115.9 | | |
| 753 | G | 31.3 | Very low | 31.6 | Very low | 60 Ų | 60 | 126.8 Ų | 126.8 | 62% | 0.619 | 80% | 0.795 | S | S | * | * | | | cis | 163.1 | 158 | -9.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 754 | N | 30.1 | Very low | 32 | Very low | 181 Ų | 181 | 129 Ų | 129 | 97% | 0.968 | 80% | 0.798 | S | S | * | * | | | trans | 170.5 | 153.5 | 149 | -89 | -27.8 | 0 | 0 | 0 | 112.4 | | |
| 755 | G | 32.7 | Very low | 32.1 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | trans | -114.2 | -149.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 756 | P | 45.8 | Very low | 31.8 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | | | cis | -142.5 | 178.4 | 12.7 | 43.1 | -24.7 | 0 | 0 | 0 | 117.2 | | |
| 757 | T | 31.4 | Very low | 31.6 | Very low | 124 Ų | 124 | 131 Ų | 131 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | | | trans | 61.8 | 151.1 | 156 | 48.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 758 | T | 28.6 | Very low | 31.4 | Very low | 129 Ų | 129 | 136 Ų | 136 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | | | cis | -161.3 | 161.3 | -1.3 | 15 | 0 | 0 | 0 | 0 | 108.8 | | |
| 759 | A | 29 | Very low | 31 | Very low | 86 Ų | 86 | 135.4 Ų | 135.4 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | cis | -178.5 | 138.6 | -33 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 760 | K | 31 | Very low | 31.1 | Very low | 219 Ų | 219 | 135.2 Ų | 135.2 | 95% | 0.952 | 81% | 0.809 | S | S | * | * | | | trans | -160.8 | 126.9 | 156.5 | -118.5 | 179.2 | -175.9 | -179.8 | 0 | 111.9 | | |
| 761 | G | 26.8 | Very low | 31.1 | Very low | 81 Ų | 81 | 130.5 Ų | 130.5 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | | | trans | 82 | 50.4 | 151.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 762 | A | 28.4 | Very low | 31.3 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -87 | 165.8 | 146.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 763 | A | 29 | Very low | 31.8 | Very low | 93 Ų | 93 | 139.8 Ų | 139.8 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | cis | -148.1 | -178 | 5.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 764 | S | 38.7 | Very low | 31.8 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | | | trans | -67 | 139.9 | 164.1 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 765 | E | 30.2 | Very low | 31.9 | Very low | 201 Ų | 201 | 143.9 Ų | 143.9 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | | | trans | -114.6 | 161 | 167.5 | -149.8 | 170 | -132.8 | 0 | 0 | 111.2 | | |
| 766 | N | 29.1 | Very low | 31.8 | Very low | 142 Ų | 142 | 146.6 Ų | 146.6 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | | | trans | -134.7 | 150.9 | -155 | -149.7 | -10.5 | 0 | 0 | 0 | 112.1 | | |
| 767 | I | 27.9 | Very low | 31 | Very low | 148 Ų | 148 | 147.4 Ų | 147.4 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | | | trans | 61.6 | 110.7 | 164.8 | -50.5 | 161.6 | 0 | 0 | 0 | 117.6 | | |
| 768 | R | 30.8 | Very low | 30.9 | Very low | 239 Ų | 239 | 145 Ų | 145 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | | | | -151.4 | 130.5 | 126.6 | -176.3 | 157.4 | -81.1 | -121.3 | 0.1 | 111.8 | | |
| 769 | A | 28.4 | Very low | 30.9 | Very low | 88 Ų | 88 | 144.9 Ų | 144.9 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | | | trans | -102.1 | 136 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 770 | M | 32 | Very low | 30.8 | Very low | 174 Ų | 174 | 146.1 Ų | 146.1 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | | | trans | -161.4 | 150.4 | 162.6 | -78.1 | -55.1 | -119.7 | 0 | 0 | 107.3 | | |
| 771 | S | 32.4 | Very low | 30.7 | Very low | 99 Ų | 99 | 142.8 Ų | 142.8 | 69% | 0.692 | 82% | 0.816 | S | S | * | * | | | cis | -154.8 | 159.8 | -22.9 | -171.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 772 | R | 35 | Very low | 31.5 | Very low | 229 Ų | 229 | 144.1 Ų | 144.1 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | | | trans | -42 | 139.2 | -176.2 | -53.6 | 165.1 | 180 | -143.3 | -2.3 | 115.8 | | |
| 773 | R | 40.2 | Very low | 32 | Very low | 243 Ų | 243 | 145.7 Ų | 145.7 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | | | | -170.1 | 154.8 | 107.5 | -99.9 | 163.5 | -166.1 | -97.4 | 2.5 | 112.4 | | |
| 774 | Y | 31.4 | Very low | 32 | Very low | 225 Ų | 225 | 148.3 Ų | 148.3 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | | | trans | -111.1 | 158.3 | 178.5 | -84.1 | -93 | 0 | 0 | 0 | 111 | | |
| 775 | S | 30.9 | Very low | 31.6 | Very low | 101 Ų | 101 | 147.1 Ų | 147.1 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | | | trans | 78.7 | 119.6 | 143.4 | -69.5 | 0 | 0 | 0 | 0 | 122.5 | | |
| 776 | V | 31.4 | Very low | 31.6 | Very low | 127 Ų | 127 | 146 Ų | 146 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | | | | 86.7 | 129.2 | 120.9 | 172.8 | 0 | 0 | 0 | 0 | 120.2 | | |
| 777 | C | 28.9 | Very low | 31.5 | Very low | 126 Ų | 126 | 147 Ų | 147 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | | | trans | 49 | 118.6 | 158.1 | -69.7 | 0 | 0 | 0 | 0 | 122 | | |
| 778 | G | 28 | Very low | 31.6 | Very low | 73 Ų | 73 | 143.8 Ų | 143.8 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | | 98 | 122.9 | 110.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 779 | S | 28.9 | Very low | 31.6 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | trans | 54 | 106.4 | 148.5 | 173.7 | 0 | 0 | 0 | 0 | 120.1 | | |
| 780 | S | 26.6 | Very low | 31.8 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | | | trans | -160.1 | 159.7 | 131.7 | 68.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 781 | N | 28.9 | Very low | 31.7 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | trans | -78.7 | -154.1 | 164.1 | -64 | -27.2 | 0 | 0 | 0 | 110.2 | | |
| 782 | P | 45.3 | Very low | 31.5 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | | -109.4 | 176.8 | -96.3 | 37.2 | -22.3 | 0 | 0 | 0 | 112.5 | N784 | P782-N784 PolarHBondContact O-N 3.14Š|
| 783 | P | 38.4 | Very low | 31.5 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | | | trans | -63 | 131.8 | 168 | 27.1 | -35.1 | 0 | 0 | 0 | 111.2 | | |
| 784 | N | 28.8 | Very low | 31.1 | Very low | 148 Ų | 148 | 122.1 Ų | 122.1 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | -113.4 | 132.4 | 176.7 | -176.5 | 16.7 | 0 | 0 | 0 | 109.7 | P782 | P782-N784 PolarHBondContact O-N 3.14Š|
| 785 | A | 30.6 | Very low | 31.1 | Very low | 94 Ų | 94 | 115 Ų | 115 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | | | trans | -128.3 | 132.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 786 | Q | 29.8 | Very low | 31.2 | Very low | 179 Ų | 179 | 115.4 Ų | 115.4 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | | | trans | -80.7 | 128.1 | -168 | -60 | 166.5 | -83.8 | 0 | 0 | 111.9 | | |
| 787 | N | 28.1 | Very low | 31.2 | Very low | 163 Ų | 163 | 115 Ų | 115 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | | | | -167.7 | 159.2 | 125 | -112 | -35.5 | 0 | 0 | 0 | 115.2 | | |
| 788 | A | 29.7 | Very low | 31.4 | Very low | 80 Ų | 80 | 115.7 Ų | 115.7 | 66% | 0.661 | 75% | 0.754 | S | S | * | * | | | trans | 46.7 | 97.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 789 | S | 30.3 | Very low | 31.5 | Very low | 107 Ų | 107 | 118.9 Ų | 118.9 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | | 78.3 | 144.8 | 120.8 | 77.8 | 0 | 0 | 0 | 0 | 123.2 | | |
| 790 | Q | 31.8 | Very low | 31.5 | Very low | 195 Ų | 195 | 118.5 Ų | 118.5 | 91% | 0.911 | 75% | 0.751 | S | S | * | * | | | trans | 56.5 | 120.4 | 155.1 | -65.4 | -179.6 | 15 | 0 | 0 | 122.1 | | |
| 791 | G | 30.1 | Very low | 31.9 | Very low | 82 Ų | 82 | 121.4 Ų | 121.4 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | | | trans | 124 | 135.5 | 131 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 792 | S | 29.1 | Very low | 32.1 | Very low | 67 Ų | 67 | 119.1 Ų | 119.1 | 47% | 0.469 | 76% | 0.759 | S | S | . | * | | | trans | 71.8 | -165.8 | 163.5 | -65.4 | 0 | 0 | 0 | 0 | 115.7 | Q391 R392 | Q391-S792 PolarHBondContact OE1-OG 3.03Å; R392-S792 PolarHBondContact NH2-O 3.49Å; R392-S792 PolarHBondContact NH2-OG 3.32Å |
| 793 | A | 34.2 | Very low | 31.5 | Very low | 82 Ų | 82 | 119 Ų | 119 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | | | cis | -150.5 | 162.5 | -11.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q391 | Q391-A793 PolarHBondContact NE2-O 2.88Š|
| 794 | N | 32.1 | Very low | 31.7 | Very low | 83 Ų | 83 | 117.9 Ų | 117.9 | 44% | 0.444 | 76% | 0.763 | S | S | . | * | | | trans | -151.9 | 154.6 | 168.3 | -80.5 | 43.2 | 0 | 0 | 0 | 106.8 | Q391 R392 | Q391-N794 PolarHBondContact NE2-OD1 3.22Å; R392-N794 PolarHBondContact N-ND2 3.32Å |
| 795 | G | 30.4 | Very low | 32.2 | Very low | 75 Ų | 75 | 118.5 Ų | 118.5 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | 140.9 | 125.6 | 143 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 796 | S | 33.2 | Very low | 32.7 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | trans | -116.6 | 132 | 160.3 | 170.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 797 | T | 31.8 | Very low | 33 | Very low | 119 Ų | 119 | 117.9 Ų | 117.9 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | | | | 178.6 | 139.7 | 127.2 | 30.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 798 | I | 33.9 | Very low | 33.5 | Very low | 140 Ų | 140 | 115.1 Ų | 115.1 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | | | trans | 70.8 | 130.1 | 138.4 | -65 | 166.5 | 0 | 0 | 0 | 120.8 | | |
| 799 | N | 29.3 | Very low | 33.8 | Very low | 141 Ų | 141 | 118 Ų | 118 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | | | trans | 28.9 | 132.6 | 154.9 | -57.9 | -6.6 | 0 | 0 | 0 | 121.9 | | |
| 800 | S | 29.3 | Very low | 34.4 | Very low | 119 Ų | 119 | 121.5 Ų | 121.5 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | | | | 172.4 | 157.6 | 107.3 | -76.2 | 0 | 0 | 0 | 0 | 113 | | |
| 801 | N | 34.6 | Very low | 34.8 | Very low | 174 Ų | 174 | 120.8 Ų | 120.8 | 93% | 0.93 | 76% | 0.758 | S | S | * | * | | | trans | -60.5 | 142.1 | -176.6 | -58.7 | -50.7 | 0 | 0 | 0 | 114.3 | | |
| 802 | A | 33.3 | Very low | 35.1 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | | | trans | -146.6 | 129.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 803 | S | 33.3 | Very low | 35.4 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | trans | 4.7 | 126.4 | 164.6 | -167 | 0 | 0 | 0 | 0 | 120.8 | M805 | S803-M805 PolarHBondContact O-N 3.4Å; S803-M805 PolarHBondContact OG-N 3.45Å |
| 804 | A | 41.4 | Very low | 35.2 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -87.4 | 57.6 | 165 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 805 | M | 40 | Very low | 35.5 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | | | trans | -152.8 | 25.4 | 175.8 | -133.4 | -177.7 | -149 | 0 | 0 | 119.2 | S803 | S803-M805 PolarHBondContact O-N 3.4Å; S803-M805 PolarHBondContact OG-N 3.45Å |
| 806 | E | 40.4 | Very low | 35.6 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -136.9 | 44.6 | -177.3 | -146.9 | 164 | -128.4 | 0 | 0 | 116.8 | | |
| 807 | A | 37.7 | Very low | 35.7 | Very low | 91 Ų | 91 | 143.5 Ų | 143.5 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -128.9 | -4.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | M809 | A807-M809 PolarHBondContact O-N 3.25Š|
| 808 | S | 37.9 | Very low | 35.7 | Very low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -7.6 | 177.7 | 49 | 0 | 0 | 0 | 0 | 114.2 | | |
| 809 | M | 36.5 | Very low | 35.8 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 70% | 0.695 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -10 | -173.2 | -64.2 | -149.5 | -70.3 | 0 | 0 | 115.7 | A807 K811 | A807-M809 PolarHBondContact O-N 3.25Å; M809-K811 PolarHBondContact O-N 3.2Å |
| 810 | L | 42.6 | Very low | 36 | Very low | 180 Ų | 180 | 140.4 Ų | 140.4 | 94% | 0.942 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 23.9 | -179.7 | -130.8 | 83.2 | 0 | 0 | 0 | 114.7 | | |
| 811 | K | 38.9 | Very low | 36 | Very low | 180 Ų | 180 | 142.6 Ų | 142.6 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.4 | 39.6 | 179.8 | -149.7 | 170.8 | -172.9 | 174.4 | 0 | 113.5 | M809 | M809-K811 PolarHBondContact O-N 3.2Š|
| 812 | R | 38 | Very low | 36.1 | Very low | 214 Ų | 214 | 140.1 Ų | 140.1 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -168.9 | 124.6 | 147.7 | -108.5 | 154.5 | -70.4 | -168.8 | 6.4 | 114.4 | | |
| 813 | R | 34.7 | Very low | 36.8 | Very low | 218 Ų | 218 | 140.7 Ų | 140.7 | 82% | 0.823 | 80% | 0.803 | S | S | * | * | | | trans | 72.3 | 99.3 | 151.8 | -61 | 175.1 | 177.3 | 168.4 | -2.6 | 120 | | |
| 814 | L | 30.3 | Very low | 37.6 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 94% | 0.937 | 80% | 0.798 | S | S | * | * | | | | -100.2 | 124 | 121.7 | -78.7 | 168 | 0 | 0 | 0 | 107.7 | | |
| 815 | I | 37.2 | Very low | 37.2 | Very low | 157 Ų | 157 | 141 Ų | 141 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | | | trans | -152.6 | 115.5 | 164.8 | -55.9 | -177.6 | 0 | 0 | 0 | 109.9 | | |
| 816 | A | 32.5 | Very low | 36.8 | Very low | 100 Ų | 100 | 142.3 Ų | 142.3 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | | | trans | -178.2 | 148.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 817 | A | 35.4 | Very low | 36.3 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | | | cis | -147 | 163.9 | -1.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 818 | G | 33.2 | Very low | 36.7 | Very low | 66 Ų | 66 | 145.7 Ų | 145.7 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | | | trans | 160.3 | 81.4 | 171 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 819 | H | 35.7 | Very low | 36.4 | Very low | 197 Ų | 197 | 151.5 Ų | 151.5 | 91% | 0.912 | 80% | 0.799 | S | S | * | * | | | trans | 25.1 | 115.6 | 158.3 | -52.9 | 89.3 | 0 | 0 | 0 | 118.8 | | |
| 820 | G | 32.3 | Very low | 36 | Very low | 71 Ų | 71 | 154.2 Ų | 154.2 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | | | cis | -158.1 | -140.4 | 3.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 821 | M | 30.1 | Very low | 35.4 | Very low | 166 Ų | 166 | 150.9 Ų | 150.9 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | cis | -145.5 | 174.5 | -2.1 | -90.8 | -54.8 | -66.4 | 0 | 0 | 110.2 | | |
| 822 | V | 35.9 | Very low | 35 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | | | trans | -162.6 | 172.9 | -163.2 | -112.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 823 | P | 48.3 | Very low | 34.6 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | cis | -131.2 | -138.1 | -11.1 | 40.2 | -18.7 | 0 | 0 | 0 | 109.6 | | |
| 824 | P | 50 | Low | 34.5 | Very low | 98 Ų | 98 | 136.9 Ų | 136.9 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | | | cis | -132.5 | 152.3 | -24.8 | 35.9 | -18 | 0 | 0 | 0 | 116.9 | | |
| 825 | T | 33.4 | Very low | 34.6 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | 48.3 | 144.4 | 138.6 | 68.7 | 0 | 0 | 0 | 0 | 121 | | |
| 826 | Q | 31.7 | Very low | 34.4 | Very low | 188 Ų | 188 | 130.4 Ų | 130.4 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | | | | -154.4 | 162.9 | 63.7 | -78.1 | -175.9 | 4.5 | 0 | 0 | 116.3 | | |
| 827 | R | 30.4 | Very low | 34.4 | Very low | 234 Ų | 234 | 134.5 Ų | 134.5 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | | | trans | -110.6 | -177.1 | 167.7 | -121.9 | -172.9 | 171.6 | -171.6 | -2.1 | 106.5 | | |
| 828 | P | 44.8 | Very low | 34.3 | Very low | 98 Ų | 98 | 137 Ų | 137 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | cis | -129.9 | -170.8 | -29.6 | 34.8 | -16.3 | 0 | 0 | 0 | 111.1 | | |
| 829 | R | 33.1 | Very low | 34.2 | Very low | 227 Ų | 227 | 139.7 Ų | 139.7 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | | | | 171.6 | -177.9 | 119.8 | -92.1 | -169.7 | -176.8 | -151.3 | 1.7 | 113.6 | | |
| 830 | Y | 28.4 | Very low | 34 | Very low | 197 Ų | 197 | 137.5 Ų | 137.5 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -89.8 | 162.6 | -156.2 | -61.8 | -98.4 | 0 | 0 | 0 | 116 | | |
| 831 | S | 29.1 | Very low | 33.9 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | 66.1 | 144.1 | 132.2 | 64.2 | 0 | 0 | 0 | 0 | 123.1 | | |
| 832 | A | 30.2 | Very low | 33.8 | Very low | 89 Ų | 89 | 135.8 Ų | 135.8 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | trans | 84.2 | 140.4 | 143.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 833 | V | 30.4 | Very low | 33.7 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 92% | 0.915 | 79% | 0.791 | S | S | * | * | | | trans | 35.6 | 118.6 | 141.4 | -176.3 | 0 | 0 | 0 | 0 | 118.3 | | |
| 834 | G | 31.8 | Very low | 32.9 | Very low | 78 Ų | 78 | 136.6 Ų | 136.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -177.5 | 129.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 835 | A | 33.3 | Very low | 32.1 | Very low | 94 Ų | 94 | 137.2 Ų | 137.2 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | | | trans | -108.1 | 167.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 836 | S | 32.3 | Very low | 32.2 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | | | trans | 81.7 | 139.9 | 159.8 | -53.9 | 0 | 0 | 0 | 0 | 119 | | |
| 837 | Q | 33.5 | Very low | 32.7 | Very low | 185 Ų | 185 | 133.7 Ų | 133.7 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | 67.5 | 151.8 | 165.2 | -63.9 | -173.2 | 75 | 0 | 0 | 118.5 | | |
| 838 | M | 31.7 | Very low | 33.2 | Very low | 162 Ų | 162 | 129.6 Ų | 129.6 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | | | cis | -170.2 | -169.6 | -39.4 | -139.8 | -172.7 | 172 | 0 | 0 | 107.4 | | |
| 839 | T | 32.1 | Very low | 32.9 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | 59 | 102.3 | 164.1 | 57.6 | 0 | 0 | 0 | 0 | 118.4 | A841 | T839-A841 PolarHBondContact O-N 2.81Š|
| 840 | T | 30.7 | Very low | 33.3 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 93% | 0.933 | 79% | 0.788 | S | S | * | * | | | trans | -75.1 | 94.3 | 153.5 | 45 | 0 | 0 | 0 | 0 | 110.1 | S842 | T840-S842 PolarHBondContact O-N 3.42Š|
| 841 | A | 31.4 | Very low | 33.8 | Very low | 94 Ų | 94 | 130.4 Ų | 130.4 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | | | trans | -85.6 | 104.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T839 | T839-A841 PolarHBondContact O-N 2.81Š|
| 842 | S | 27.8 | Very low | 34.2 | Very low | 106 Ų | 106 | 128.9 Ų | 128.9 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | | | trans | 1.9 | 143.6 | 146.5 | -105.2 | 0 | 0 | 0 | 0 | 122 | T840 | T840-S842 PolarHBondContact O-N 3.42Š|
| 843 | Q | 34.3 | Very low | 34.4 | Very low | 179 Ų | 179 | 131.7 Ų | 131.7 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | | | trans | 90.2 | 132.1 | 135 | -71.9 | -77.5 | -19.8 | 0 | 0 | 121.9 | | |
| 844 | G | 30.7 | Very low | 34.5 | Very low | 72 Ų | 72 | 127.4 Ų | 127.4 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | | | trans | 165.3 | 109.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 845 | S | 32.9 | Very low | 34.4 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | cis | -159.8 | 150.2 | -1.9 | 51.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 846 | S | 36.1 | Very low | 34.5 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | | | trans | 53.7 | 119.9 | 146.8 | 179.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 847 | L | 41.3 | Very low | 35.3 | Very low | 149 Ų | 149 | 132.2 Ų | 132.2 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | | | | -167.9 | 114.1 | 104.3 | -93.5 | 170.8 | 0 | 0 | 0 | 111.5 | | |
| 848 | L | 42.5 | Very low | 35.4 | Very low | 148 Ų | 148 | 127 Ų | 127 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | | | | 39.3 | 132.8 | 124.4 | -60.2 | -174.3 | 0 | 0 | 0 | 120.1 | | |
| 849 | V | 36.9 | Very low | 35.6 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | | | cis | -149.8 | 149.1 | 13.8 | -177.1 | 0 | 0 | 0 | 0 | 114 | | |
| 850 | R | 42.3 | Very low | 35.7 | Very low | 229 Ų | 229 | 132.2 Ų | 132.2 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | trans | -23.8 | 166.1 | 157.3 | -62.8 | 165.7 | -178.1 | -176.8 | -1.9 | 118.9 | | |
| 851 | K | 39.1 | Very low | 35.8 | Very low | 187 Ų | 187 | 133.4 Ų | 133.4 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | | | cis | -166.6 | -167.7 | 17 | -122.6 | 175.4 | 68.8 | -178.7 | 0 | 106.3 | | |
| 852 | S | 37.9 | Very low | 35.8 | Very low | 79 Ų | 79 | 135.8 Ų | 135.8 | 55% | 0.552 | 76% | 0.76 | S | S | * | * | | | cis | 166.1 | 158.1 | -37.2 | 62.1 | 0 | 0 | 0 | 0 | 107.2 | | |
| 853 | V | 33.1 | Very low | 36 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | | | cis | -153 | -163 | 16.7 | -131.3 | 0 | 0 | 0 | 0 | 107.4 | | |
| 854 | G | 32.8 | Very low | 35.7 | Very low | 61 Ų | 61 | 134.7 Ų | 134.7 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | | | cis | 161.5 | 179 | 0.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 855 | C | 28.9 | Very low | 36.9 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | | | trans | 67 | 136.8 | -179.2 | -73.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 856 | V | 36.2 | Very low | 36.9 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | | | cis | 92.6 | 135.8 | 27.2 | 171.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 857 | P | 48.4 | Very low | 36.7 | Very low | 121 Ų | 121 | 138 Ų | 138 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | | | cis | -133.6 | -175 | 24.8 | 34.2 | -11.6 | 0 | 0 | 0 | 118.9 | | |
| 858 | A | 36.9 | Very low | 36.1 | Very low | 75 Ų | 75 | 134.8 Ų | 134.8 | 62% | 0.62 | 77% | 0.771 | S | S | * | * | | | trans | -92.5 | 177 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 859 | Y | 35.8 | Very low | 35.5 | Very low | 224 Ų | 224 | 132 Ų | 132 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | | | | -174.4 | 166.8 | 64.5 | -89.8 | -86 | 0 | 0 | 0 | 112.3 | | |
| 860 | Q | 32.8 | Very low | 35.4 | Very low | 170 Ų | 170 | 131.5 Ų | 131.5 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | | 139.5 | 106.2 | 123.6 | -173.4 | 170.5 | 86.4 | 0 | 0 | 117.5 | | |
| 861 | K | 34.7 | Very low | 34.9 | Very low | 176 Ų | 176 | 127.9 Ų | 127.9 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | | | trans | 57.8 | 167.9 | 144.7 | -69.9 | -173.4 | 172.8 | -167.5 | 0 | 120.6 | | |
| 862 | Q | 29.6 | Very low | 34.6 | Very low | 144 Ų | 144 | 125.7 Ų | 125.7 | 67% | 0.673 | 77% | 0.765 | S | S | * | * | | | cis | -178.2 | 167.1 | -31.7 | -169.6 | -177.1 | -18.9 | 0 | 0 | 107.6 | | |
| 863 | I | 33.5 | Very low | 34.4 | Very low | 155 Ų | 155 | 128.8 Ų | 128.8 | 80% | 0.795 | 77% | 0.771 | S | S | * | * | | | trans | 82.6 | 147.8 | 162.4 | -48.1 | 178.6 | 0 | 0 | 0 | 118.5 | | |
| 864 | S | 28.3 | Very low | 34.5 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | trans | -163.6 | 179.1 | 166 | -142.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 865 | P | 54.3 | Low | 34.6 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | | | cis | -136.4 | -139.8 | -1.9 | 39.6 | -16.5 | 0 | 0 | 0 | 112.5 | | |
| 866 | N | 33.2 | Very low | 35.1 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | | | trans | 90.5 | 143.3 | 157.8 | -75.4 | -5 | 0 | 0 | 0 | 123 | | |
| 867 | G | 31.4 | Very low | 34.8 | Very low | 85 Ų | 85 | 133.1 Ų | 133.1 | 88% | 0.876 | 76% | 0.759 | S | S | * | * | | | trans | 87.4 | 144.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 868 | G | 29.9 | Very low | 33.9 | Very low | 80 Ų | 80 | 134.5 Ų | 134.5 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | | | cis | 169.6 | 167.4 | -3.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 869 | A | 30.5 | Very low | 33.7 | Very low | 89 Ų | 89 | 135 Ų | 135 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | | | cis | -167.2 | 171 | -1.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 870 | S | 32.8 | Very low | 33.7 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | | | trans | 68.1 | 154.1 | 155.8 | 70.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 871 | L | 33.3 | Very low | 33.7 | Very low | 153 Ų | 153 | 127.9 Ų | 127.9 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | | | cis | -167.6 | -178.2 | -35.7 | -154.4 | 97.2 | 0 | 0 | 0 | 109.2 | | |
| 872 | L | 32.6 | Very low | 33.5 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | | | trans | 82.5 | 136.7 | 173.4 | -51 | 168.7 | 0 | 0 | 0 | 115 | | |
| 873 | Q | 33.3 | Very low | 33.4 | Very low | 143 Ų | 143 | 125.2 Ų | 125.2 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | | | cis | -153.6 | 154 | -4.5 | -134.7 | -175.8 | 43.1 | 0 | 0 | 113.4 | | |
| 874 | K | 34.4 | Very low | 33.2 | Very low | 182 Ų | 182 | 123.6 Ų | 123.6 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | 65 | 115 | 160.2 | -71.2 | 172.1 | 179.8 | 170.5 | 0 | 120.6 | | |
| 875 | T | 35.7 | Very low | 33.4 | Very low | 110 Ų | 110 | 121.6 Ų | 121.6 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | trans | -90.8 | -180 | 150.1 | 57.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 876 | P | 39.3 | Very low | 32.3 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | | -106.7 | 156.4 | 53 | 37.9 | -36.3 | 0 | 0 | 0 | 113.6 | | |
| 877 | Q | 30.3 | Very low | 32.2 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | | | cis | 84.6 | 122.3 | 31.8 | -81.6 | -165.4 | -14.9 | 0 | 0 | 117.1 | | |
| 878 | I | 30.1 | Very low | 32.1 | Very low | 150 Ų | 150 | 127.4 Ų | 127.4 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | 69.9 | 137.2 | 144.5 | -62.2 | 166.3 | 0 | 0 | 0 | 116.4 | | |
| 879 | A | 30.9 | Very low | 32.1 | Very low | 86 Ų | 86 | 132.3 Ų | 132.3 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | | | cis | -163.9 | -179.6 | -20.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 880 | S | 36.5 | Very low | 32.2 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | trans | -61.5 | 141.8 | 171.9 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 881 | V | 32.6 | Very low | 32.2 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | | | trans | -162.5 | 117.4 | 140.3 | 131.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 882 | Q | 30.4 | Very low | 32.3 | Very low | 191 Ų | 191 | 133.3 Ų | 133.3 | 89% | 0.893 | 75% | 0.752 | S | S | * | * | | | | 31.1 | 125 | 129.5 | -154.7 | 171.3 | -9 | 0 | 0 | 121.2 | | |
| 883 | G | 29.1 | Very low | 32 | Very low | 72 Ų | 72 | 136.1 Ų | 136.1 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | | | trans | 130.9 | 124.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 884 | S | 29.4 | Very low | 32.2 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | | | cis | 83.4 | 100.6 | 27.2 | -165.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 885 | A | 31.4 | Very low | 31.9 | Very low | 66 Ų | 66 | 130.7 Ų | 130.7 | 55% | 0.545 | 76% | 0.763 | S | S | . | * | | | trans | 61.7 | 108.4 | 155.6 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 886 | F | 31.5 | Very low | 31.7 | Very low | 201 Ų | 201 | 129.4 Ų | 129.4 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | | | | -127.7 | 134.6 | 104.7 | -82 | -95.6 | 0 | 0 | 0 | 106.5 | | |
| 887 | N | 30.2 | Very low | 31.2 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 60% | 0.604 | 77% | 0.767 | S | S | * | * | | | cis | 77.2 | 88 | 47.2 | -72.5 | -26 | 0 | 0 | 0 | 114.3 | | |
| 888 | D | 30.6 | Very low | 31.2 | Very low | 153 Ų | 153 | 127.6 Ų | 127.6 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | | -129.8 | 121.9 | 115.3 | -89.2 | -44.6 | 0 | 0 | 0 | 106.5 | | |
| 889 | F | 30.3 | Very low | 31 | Very low | 184 Ų | 184 | 125.7 Ų | 125.7 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | | | | 54.6 | 115.1 | 85.6 | -85.6 | -94.6 | 0 | 0 | 0 | 113.9 | | |
| 890 | A | 31.7 | Very low | 31.2 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | | | cis | -158.8 | 157.1 | -9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 891 | Q | 31.7 | Very low | 30.9 | Very low | 182 Ų | 182 | 129.4 Ų | 129.4 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | | | trans | -82.5 | 162.8 | 152 | -73 | -164 | 7.2 | 0 | 0 | 108.6 | | |
| 892 | P | 37.2 | Very low | 30.7 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | | | cis | -156.9 | 179.9 | 35.2 | 44.5 | -22.9 | 0 | 0 | 0 | 120.4 | | |
| 893 | K | 26.2 | Very low | 30.6 | Very low | 200 Ų | 200 | 126.5 Ų | 126.5 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | | | trans | 73.8 | 162.5 | 143.3 | -91.7 | -173.3 | 172.7 | -177.9 | 0 | 121 | | |
| 894 | P | 37.4 | Very low | 30.9 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | | | trans | -118.7 | -177.3 | -166.7 | 44.9 | -35.2 | 0 | 0 | 0 | 115.6 | | |
| 895 | A | 28.6 | Very low | 30.9 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | | | trans | 105.2 | 157.6 | 147.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 896 | A | 29.4 | Very low | 30.8 | Very low | 83 Ų | 83 | 133.7 Ų | 133.7 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | | | trans | 84.8 | 98.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 897 | T | 29 | Very low | 31 | Very low | 140 Ų | 140 | 130 Ų | 130 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | | | trans | 66.2 | 142.2 | 132.2 | 54.4 | 0 | 0 | 0 | 0 | 121.4 | | |
| 898 | A | 30.5 | Very low | 31.3 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | cis | -167.7 | 169 | -10.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 899 | S | 27.3 | Very low | 31.3 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | 77.3 | 108.6 | 158.3 | -154.9 | 0 | 0 | 0 | 0 | 119.1 | | |
| 900 | V | 33.8 | Very low | 31.6 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | | | | 173.1 | 129.7 | 104.7 | 159.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 901 | N | 31.7 | Very low | 31.5 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | | | trans | 20.2 | 129.3 | 162.3 | -46.9 | -12.2 | 0 | 0 | 0 | 120.1 | | |
| 902 | G | 28 | Very low | 31.6 | Very low | 73 Ų | 73 | 128.9 Ų | 128.9 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | | | cis | 163.9 | 130 | -4.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 903 | E | 28.7 | Very low | 31.6 | Very low | 189 Ų | 189 | 134.8 Ų | 134.8 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | 45.5 | 106.6 | 168 | -58.2 | -177.1 | 150.9 | 0 | 0 | 118.1 | | |
| 904 | E | 33.3 | Very low | 31.7 | Very low | 191 Ų | 191 | 130.5 Ų | 130.5 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | | | | 72.1 | 141.9 | 64.3 | -64.4 | -162.8 | 175.7 | 0 | 0 | 114.7 | | |
| 905 | S | 31 | Very low | 31.6 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | | | cis | -151.2 | 158.7 | 30.8 | 57.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 906 | S | 28.8 | Very low | 31.6 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | | | trans | -158.4 | 105.2 | 160.5 | -80.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 907 | P | 35.2 | Very low | 32.1 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | | | trans | -102.8 | 121.5 | -173.5 | 34.8 | -29.7 | 0 | 0 | 0 | 113.5 | | |
| 908 | T | 36.7 | Very low | 32.2 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | | | trans | -133.3 | 104.8 | 167.4 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 909 | S | 31.4 | Very low | 32.1 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | | | trans | -156.4 | 146.2 | 157.9 | 61.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 910 | A | 35.6 | Very low | 32.1 | Very low | 89 Ų | 89 | 135.9 Ų | 135.9 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | | | trans | -103.8 | 166.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 911 | L | 30 | Very low | 31.9 | Very low | 162 Ų | 162 | 139 Ų | 139 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | | | trans | 165.2 | 125.4 | 134.4 | -92.1 | 161.1 | 0 | 0 | 0 | 112.6 | | |
| 912 | K | 34.6 | Very low | 32 | Very low | 172 Ų | 172 | 137.2 Ų | 137.2 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | | | | 174.3 | 107.1 | 121.4 | -94.3 | 158.4 | -174.9 | 172 | 0 | 113.1 | | |
| 913 | R | 36.5 | Very low | 32.1 | Very low | 231 Ų | 231 | 137.8 Ų | 137.8 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | | | trans | 60.2 | 144.8 | 134.5 | -53 | 169.8 | -160.7 | -154.3 | 0.8 | 117.9 | | |
| 914 | S | 28 | Very low | 32.2 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | cis | -144.3 | 151.5 | 15.9 | -161.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 915 | L | 34.6 | Very low | 31.8 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | | | trans | -79.2 | 153.6 | 155.4 | -73.7 | 160.5 | 0 | 0 | 0 | 110 | | |
| 916 | V | 29.2 | Very low | 31.7 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | trans | -143.7 | 131.8 | 140.3 | 179.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 917 | V | 39.7 | Very low | 31.7 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | | | trans | -128 | 114.1 | 169.8 | 174.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 918 | A | 32.3 | Very low | 31.4 | Very low | 85 Ų | 85 | 138.8 Ų | 138.8 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | | | trans | -154.9 | 119.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 919 | N | 26.8 | Very low | 31.1 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | | | cis | 72.7 | 111.8 | 44 | -167.9 | 14.2 | 0 | 0 | 0 | 113.1 | | |
| 920 | T | 28.9 | Very low | 31 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 63% | 0.632 | 75% | 0.746 | S | S | * | * | | | | 178.6 | 128.2 | 115.4 | 37 | 0 | 0 | 0 | 0 | 113.9 | | |
| 921 | K | 28.7 | Very low | 30.7 | Very low | 185 Ų | 185 | 140.9 Ų | 140.9 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | trans | 65 | 150.9 | 141.5 | -57.9 | 168 | -176.2 | 178.3 | 0 | 117.3 | | |
| 922 | T | 34.8 | Very low | 30.5 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | | | cis | -130.5 | 149.2 | 9.4 | 52.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 923 | S | 28.6 | Very low | 30.4 | Very low | 86 Ų | 86 | 138.1 Ų | 138.1 | 60% | 0.601 | 75% | 0.749 | S | S | * | * | | | cis | 64.1 | 140.6 | 43.8 | 80.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 924 | F | 30.5 | Very low | 30.1 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 77% | 0.768 | 74% | 0.74 | S | S | * | * | | | cis | -152.1 | 177.2 | 9.4 | -116.3 | -60.4 | 0 | 0 | 0 | 109.7 | | |
| 925 | Q | 26 | Very low | 30.5 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | | | trans | 32.9 | 117.7 | 152 | -69.4 | 152.2 | -54.1 | 0 | 0 | 118.7 | | |
| 926 | D | 28.6 | Very low | 30.2 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | | | | -139.3 | 152.9 | 64 | -86.2 | -30.3 | 0 | 0 | 0 | 112 | | |
| 927 | L | 29.1 | Very low | 30.4 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 68% | 0.681 | 73% | 0.73 | S | S | * | * | | | cis | 79.4 | 101.2 | 35.2 | -166.3 | 84.3 | 0 | 0 | 0 | 114.5 | | |
| 928 | L | 28.5 | Very low | 30.1 | Very low | 131 Ų | 131 | 136 Ų | 136 | 69% | 0.686 | 73% | 0.726 | S | S | * | * | | | trans | 62.7 | 166.7 | 162.3 | -82.9 | 40.7 | 0 | 0 | 0 | 114.7 | | |
| 929 | Q | 31.2 | Very low | 29.9 | Very low | 145 Ų | 145 | 141 Ų | 141 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | | | cis | -136.8 | 164.8 | 10 | -161.5 | 77.5 | 58.5 | 0 | 0 | 110.7 | | |
| 930 | Q | 29.6 | Very low | 30.5 | Very low | 157 Ų | 157 | 140 Ų | 140 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | | | trans | -62.5 | 155.7 | 178.5 | -48.8 | 118.3 | -64.3 | 0 | 0 | 114.1 | | |
| 931 | A | 27.8 | Very low | 30.8 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 87% | 0.868 | 73% | 0.733 | S | S | * | * | | | trans | -149.5 | 114.9 | 136.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 932 | S | 27.2 | Very low | 31.1 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | | | trans | -95.7 | -173 | 163.9 | 53.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 933 | Q | 31.8 | Very low | 30.9 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | | | trans | 92.8 | 145.7 | 169.6 | -61.7 | -168.7 | 22 | 0 | 0 | 118.7 | | |
| 934 | T | 31.2 | Very low | 31.2 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 68% | 0.681 | 74% | 0.742 | S | S | * | * | | | cis | -172.4 | 148.3 | -41.2 | 23.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 935 | V | 34.7 | Very low | 31.3 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 70% | 0.697 | 75% | 0.745 | S | S | * | * | | | trans | 30.5 | 128.7 | 134.8 | -178 | 0 | 0 | 0 | 0 | 121 | | |
| 936 | Q | 29.7 | Very low | 31.7 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | | | trans | -157.5 | 148.2 | 133.1 | -70.8 | -154 | 37.2 | 0 | 0 | 109.9 | | |
| 937 | R | 32.2 | Very low | 31.8 | Very low | 203 Ų | 203 | 136.2 Ų | 136.2 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | | | cis | -159.4 | -178.5 | -12.9 | -116 | -176.8 | -178.7 | 135.3 | -6.1 | 111.3 | | |
| 938 | N | 33.2 | Very low | 32.1 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | | | trans | -112 | 163.2 | -153.4 | -40.8 | -10.4 | 0 | 0 | 0 | 116.8 | | |
| 939 | K | 29.2 | Very low | 32.2 | Very low | 190 Ų | 190 | 138.4 Ų | 138.4 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | | | trans | -160.6 | 153.1 | 141.9 | -102.2 | -154 | 163 | -159.6 | 0 | 109.8 | | |
| 940 | I | 38.6 | Very low | 32.2 | Very low | 115 Ų | 115 | 136 Ų | 136 | 59% | 0.59 | 77% | 0.771 | S | S | * | * | | | cis | 82.4 | 115.3 | 12.8 | -57.4 | 167.2 | 0 | 0 | 0 | 113.5 | | |
| 941 | E | 35 | Very low | 32.3 | Very low | 171 Ų | 171 | 132.4 Ų | 132.4 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | | | cis | -164.3 | 178.7 | 4.5 | -123.3 | 161 | -125.2 | 0 | 0 | 108.2 | | |
| 942 | S | 35.8 | Very low | 32.6 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | cis | -139.7 | -135.8 | 3.8 | 44.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 943 | S | 30.5 | Very low | 32.8 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | cis | -159.9 | -155.4 | 4.6 | -10.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 944 | E | 35.9 | Very low | 33 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | | | trans | -82.1 | 176.3 | -175.1 | -65.3 | 166.6 | 104.5 | 0 | 0 | 116 | | |
| 945 | T | 32.3 | Very low | 33.2 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | | | cis | -146.5 | 170.1 | 14.6 | -33.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 946 | A | 34.1 | Very low | 33.5 | Very low | 94 Ų | 94 | 138.9 Ų | 138.9 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | | | trans | -113.9 | 166.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 947 | A | 31.3 | Very low | 33.9 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | | | trans | -154.8 | 137.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 948 | T | 35.3 | Very low | 34.1 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | trans | -136.5 | 144.3 | 176.7 | -50.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 949 | I | 29.2 | Very low | 34.6 | Very low | 173 Ų | 173 | 135.9 Ų | 135.9 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | | | trans | 161.9 | 151.8 | 166.8 | -94.3 | 150.9 | 0 | 0 | 0 | 107.3 | | |
| 950 | A | 30.6 | Very low | 35.3 | Very low | 94 Ų | 94 | 134.6 Ų | 134.6 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | | | cis | -161.3 | -170.4 | -32.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 951 | A | 32.4 | Very low | 35.5 | Very low | 81 Ų | 81 | 140.4 Ų | 140.4 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | | | trans | -104.6 | 174.4 | -165.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 952 | D | 34.8 | Very low | 35.6 | Very low | 148 Ų | 148 | 141 Ų | 141 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | trans | 88.7 | 158 | 148.5 | -58.4 | -37 | 0 | 0 | 0 | 122.9 | | |
| 953 | D | 31.8 | Very low | 36 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | | | trans | 68.9 | 109.7 | 170.1 | -57.9 | -28.9 | 0 | 0 | 0 | 121.6 | | |
| 954 | F | 35.6 | Very low | 36.4 | Very low | 193 Ų | 193 | 143.8 Ų | 143.8 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | | 169.7 | 135.8 | 95 | -90.6 | -64.2 | 0 | 0 | 0 | 116 | | |
| 955 | S | 34.4 | Very low | 36.2 | Very low | 93 Ų | 93 | 142.7 Ų | 142.7 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | | | trans | 28.4 | 140.5 | 155.3 | -93.9 | 0 | 0 | 0 | 0 | 125.2 | D957 | S955-D957 WeakPolarHBondContact CB-OD2 3.43Å; S955-D957 PolarHBondContact OG-OD2 3.44Å |
| 956 | L | 42.2 | Very low | 36.5 | Very low | 177 Ų | 177 | 141.7 Ų | 141.7 | 93% | 0.927 | 80% | 0.796 | S | S | * | * | | | trans | -110.3 | 34.5 | 178.5 | -71 | 171.5 | 0 | 0 | 0 | 114.1 | | |
| 957 | D | 37.8 | Very low | 36.8 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 65% | 0.652 | 79% | 0.794 | S | S | * | * | | | trans | -96.1 | 9.8 | -156.5 | -70.7 | -70.9 | 0 | 0 | 0 | 118.3 | S955 | S955-D957 WeakPolarHBondContact CB-OD2 3.43Å; S955-D957 PolarHBondContact OG-OD2 3.44Å |
| 958 | N | 35.9 | Very low | 37.2 | Very low | 136 Ų | 136 | 146 Ų | 146 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | -135.5 | 52.4 | -179.3 | -87.6 | -74.5 | 0 | 0 | 0 | 115.7 | K960 | N958-K960 PolarHBondContact O-N 2.88Å; N958-K960 VanDerWaalsContact O-N 3.14Å |
| 959 | L | 43.8 | Very low | 37.4 | Very low | 170 Ų | 170 | 147 Ų | 147 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | | | trans | -68.4 | 101 | 167.9 | -174.5 | 75.4 | 0 | 0 | 0 | 111.6 | | |
| 960 | K | 43 | Very low | 37.9 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 71% | 0.709 | 79% | 0.793 | S | S | * | * | | | trans | -137.5 | 106.1 | 169.8 | -70.7 | -179.9 | -177.6 | 162.9 | 0 | 110.1 | N958 | N958-K960 PolarHBondContact O-N 2.88Å; N958-K960 VanDerWaalsContact O-N 3.14Å |
| 961 | R | 42.8 | Very low | 38.4 | Very low | 238 Ų | 238 | 149.5 Ų | 149.5 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | | | | 74.1 | 110.7 | 102.7 | -73.2 | -176.6 | -178.1 | -167 | -1.7 | 113.6 | | |
| 962 | E | 39 | Very low | 39.2 | Very low | 184 Ų | 184 | 154.1 Ų | 154.1 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 153.7 | 166.1 | -64.5 | 178.3 | 126 | 0 | 0 | 111.4 | | |
| 963 | P | 42.9 | Very low | 39.5 | Very low | 132 Ų | 132 | 153.7 Ų | 153.7 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 129.7 | 173.8 | 31.2 | -33 | 0 | 0 | 0 | 111.4 | | |
| 964 | V | 38.8 | Very low | 39.9 | Very low | 135 Ų | 135 | 155.7 Ų | 155.7 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 135.4 | 166.2 | 176.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 965 | D | 32.8 | Very low | 40.1 | Very low | 157 Ų | 157 | 150.2 Ų | 150.2 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 124 | 173.9 | -150.2 | 3.4 | 0 | 0 | 0 | 109.4 | A967 | D965-A967 PolarHBondContact O-N 3.45Š|
| 966 | P | 38 | Very low | 40.4 | Very low | 117 Ų | 117 | 156.2 Ų | 156.2 | 76% | 0.76 | 84% | 0.844 | S | S | * | * | | | trans | -97.1 | 97.3 | -162.6 | 35.3 | -34 | 0 | 0 | 0 | 114.2 | | |
| 967 | A | 41.5 | Very low | 40.3 | Very low | 89 Ų | 89 | 155.2 Ų | 155.2 | 74% | 0.736 | 84% | 0.84 | S | S | * | * | | | trans | -145.7 | 155.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | D965 D969 | D965-A967 PolarHBondContact O-N 3.45Å; A967-D969 PolarHBondContact O-N 2.65Å |
| 968 | E | 39.7 | Very low | 40.4 | Very low | 199 Ų | 199 | 156.9 Ų | 156.9 | 93% | 0.93 | 85% | 0.849 | S | S | * | * | | | trans | 67.8 | 25.3 | 173.8 | -56.3 | -170.6 | 170.6 | 0 | 0 | 117.7 | H970 | E968-H970 PolarHBondContact O-N 3.33Š|
| 969 | D | 37.8 | Very low | 40.7 | Very low | 153 Ų | 153 | 158.1 Ų | 158.1 | 82% | 0.818 | 86% | 0.856 | S | S | * | * | | | trans | -84.6 | 88 | 154.6 | -150.9 | 0.3 | 0 | 0 | 0 | 108.6 | A967 | A967-D969 PolarHBondContact O-N 2.65Š|
| 970 | H | 39.3 | Very low | 40.5 | Very low | 171 Ų | 171 | 157.4 Ų | 157.4 | 79% | 0.792 | 85% | 0.854 | S | S | * | * | | | trans | 178.7 | 93.7 | 158 | -87.1 | -17.3 | 0 | 0 | 0 | 113 | E968 | E968-H970 PolarHBondContact O-N 3.33Š|
| 971 | N | 43.1 | Very low | 40.3 | Very low | 149 Ų | 149 | 157 Ų | 157 | 80% | 0.797 | 86% | 0.863 | S | S | * | * | | | | 155.7 | 75 | 125.4 | -77 | -35.2 | 0 | 0 | 0 | 112.9 | I973 | N971-I973 PolarHBondContact O-N 2.72Š|
| 972 | D | 48.6 | Very low | 40.2 | Very low | 178 Ų | 178 | 151.6 Ų | 151.6 | 95% | 0.952 | 86% | 0.861 | S | S | * | * | | | trans | -63.7 | 113.5 | 153.6 | -97.6 | -30.7 | 0 | 0 | 0 | 109 | | |
| 973 | I | 40.2 | Very low | 40.3 | Very low | 140 Ų | 140 | 149.3 Ų | 149.3 | 72% | 0.718 | 86% | 0.861 | S | S | * | * | | | trans | -147.4 | 107 | 167.8 | -143.7 | 167.1 | 0 | 0 | 0 | 112.6 | N971 | N971-I973 PolarHBondContact O-N 2.72Š|
| 974 | L | 40.6 | Very low | 40.1 | Very low | 173 Ų | 173 | 150.6 Ų | 150.6 | 91% | 0.906 | 86% | 0.861 | S | S | * | * | | | trans | 66 | 112.2 | 172.3 | -40.5 | -179 | 0 | 0 | 0 | 115.6 | | |
| 975 | G | 39.3 | Very low | 40.2 | Very low | 78 Ų | 78 | 151.9 Ų | 151.9 | 80% | 0.804 | 87% | 0.865 | S | S | * | * | | | cis | 116.5 | 64.1 | 2.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 976 | V | 41 | Very low | 40.8 | Very low | 219 Ų | 219 | 151.5 Ų | 151.5 | 100% | 1.327 | 87% | 0.867 | S | S | * | * | | | trans | -141.6 | 0 | 166.6 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | | |