| 1 | M | 67.8 | Low | 92.4 | Very high | 221 Ų | 221 | 148.9 Ų | 148.9 | 100% | 1.089 | 71% | 0.714 | S | S | * | * | | | | 0 | 133 | 0 | 179.4 | 151.6 | 55.5 | 0 | 0 | 109.2 | | |
| 2 | G | 87.6 | Confident | 92.9 | Very high | 68 Ų | 68 | 149.3 Ų | 149.3 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | | | trans | -79.6 | 177.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 3 | R | 91.5 | Very high | 93.2 | Very high | 259 Ų | 259 | 143.8 Ų | 143.8 | 98% | 0.977 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 124.3 | 173 | -60.7 | -179.2 | -173.5 | 178.2 | 3.3 | 109.5 | | |
| 4 | K | 94.3 | Very high | 93.5 | Very high | 172 Ų | 172 | 141.6 Ų | 141.6 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 149.7 | 171.4 | -64.8 | -172.9 | 177.5 | -174.6 | 0 | 110.7 | | |
| 5 | K | 94.4 | Very high | 93.8 | Very high | 212 Ų | 212 | 145.7 Ų | 145.7 | 92% | 0.922 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 142.7 | 169.2 | -172.2 | 175.7 | -179.1 | 179 | 0 | 109.1 | | |
| 6 | I | 95.4 | Very high | 94 | Very high | 90 Ų | 90 | 142.2 Ų | 142.2 | 46% | 0.462 | 68% | 0.675 | S | S | . | * | | | trans | -129.8 | 154.5 | 174.6 | 67.9 | 172.5 | 0 | 0 | 0 | 109.9 | | |
| 7 | Q | 96.8 | Very high | 94.2 | Very high | 158 Ų | 158 | 136.4 Ų | 136.4 | 74% | 0.738 | 65% | 0.645 | S | S | * | * | | | trans | -71.4 | 157.3 | 170.6 | -65.6 | 178.7 | -5.7 | 0 | 0 | 110.8 | T9 | Q7-T9 HydrophobicContact CB-CG2 4.43Å; Q7-T9 PolarHBondContact O-N 2.78Å |
| 8 | I | 96.8 | Very high | 94.4 | Very high | 144 Ų | 144 | 134.2 Ų | 134.2 | 74% | 0.738 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -92.5 | 74.1 | 176.1 | -52.4 | -56.8 | 0 | 0 | 0 | 108.8 | | |
| 9 | T | 97.4 | Very high | 94.6 | Very high | 97 Ų | 97 | 131.2 Ų | 131.2 | 60% | 0.595 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -134.1 | 169.8 | 178.3 | 54.2 | 0 | 0 | 0 | 0 | 110.1 | Q7 I11 | Q7-T9 HydrophobicContact CB-CG2 4.43Å; Q7-T9 PolarHBondContact O-N 2.78Å; T9-I11 PolarHBondContact O-N 2.74Å |
| 10 | R | 97 | Very high | 94.7 | Very high | 167 Ų | 167 | 126.5 Ų | 126.5 | 63% | 0.63 | 61% | 0.606 | S | S | * | * | | | trans | -64.7 | 118 | 177.2 | -178.3 | 178.3 | 177.6 | 126 | -0.7 | 110 | M12 | R10-M12 HydrophobicContact CG-SD 4.45Å; R10-M12 PolarHBondContact O-N 2.92Å; R10-M12 VanDerWaalsContact O-N 3.17Å |
| 11 | I | 97.8 | Very high | 94.9 | Very high | 50 Ų | 50 | 122.6 Ų | 122.6 | 26% | 0.256 | 59% | 0.586 | S | S | . | * | | | trans | -66.8 | 113.9 | 172.2 | -57.6 | 173.6 | 0 | 0 | 0 | 108.3 | T9 N16 R17 T20 | T9-I11 PolarHBondContact O-N 2.74Å; I11-N16 HydrophobicContact CG2-CB 4.2Å; I11-R17 HydrophobicContact CB-CB 4Å; I11-R17 HydrophobicContact CB-CG 4.34Å; I11-R17 HydrophobicContact CG2-CB 3.98Å; I11-R17 WeakPolarHBondContact O-CD 3.19Å; I11-R17 PolarHBondContact O-NH1 3.23Å; I11-T20 HydrophobicContact CD1-CG2 3.78Å |
| 12 | M | 97.8 | Very high | 96.3 | Very high | 153 Ų | 153 | 115.6 Ų | 115.6 | 75% | 0.754 | 56% | 0.556 | S | S | * | * | | | trans | -72.5 | -45 | -175.6 | -63.7 | -57.9 | -70.7 | 0 | 0 | 112.5 | R10 E14 R17 | R10-M12 HydrophobicContact CG-SD 4.45Å; R10-M12 PolarHBondContact O-N 2.92Å; R10-M12 VanDerWaalsContact O-N 3.17Å; M12-E14 PolarHBondContact O-N 3.28Å; M12-R17 PolarHBondContact O-NH1 3.36Å |
| 13 | D | 97.4 | Very high | 96.8 | Very high | 79 Ų | 79 | 119.7 Ų | 119.7 | 42% | 0.422 | 55% | 0.554 | S | S | . | * | | | trans | -58.9 | 119.9 | 174.9 | 175.4 | -28.4 | 0 | 0 | 0 | 111.5 | R15 N16 R17 | D13-R15 WeakPolarHBondContact OD1-CA 3.38Å; D13-R15 WeakPolarHBondContact OD1-CB 3.5Å; D13-R15 PolarHBondContact OD1-N 3.03Å; D13-N16 HydrophobicContact CB-CB 4.07Å; D13-N16 PolarHBondContact OD1-N 3.1Å; D13-N16 PolarHBondContact OD2-ND2 3.17Å; D13-R17 WeakPolarHBondContact O-CB 3.49Å; D13-R17 PolarHBondContact O-N 3.37Å |
| 14 | E | 97.6 | Very high | 97.1 | Very high | 112 Ų | 112 | 114 Ų | 114 | 52% | 0.523 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | -178.3 | -162.5 | 65.1 | -115.1 | 0 | 0 | 113.3 | M12 R17 Q18 | M12-E14 PolarHBondContact O-N 3.28Å; E14-R17 PolarHBondContact O-N 3.06Å; E14-R17 IonicContact OE1-CZ 2.66Å; E14-R17 VanDerWaalsContact OE1-CZ 3.29Å; E14-R17 IonicContact OE1-NE 2.59Å; E14-R17 IonicContact OE1-NH2 3.69Å; E14-R17 PolarHBondContact OE1-NH2 2.67Å; E14-R17 IonicContact OE2-CZ 2.65Å; E14-R17 IonicContact OE2-NH1 2.71Å; E14-R17 IonicContact OE2-NH2 3.14Å; E14-R17 PolarHBondContact OE2-NH2 2.75Å; E14-Q18 WeakPolarHBondContact O-CB 3.3Å; E14-Q18 PolarHBondContact O-N 3.21Å |
| 15 | R | 97.8 | Very high | 97.3 | Very high | 203 Ų | 203 | 108 Ų | 108 | 77% | 0.766 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.9 | -45.8 | -176.4 | -175.9 | -175.2 | -68.1 | 152.6 | -2.3 | 109.8 | D13 Q18 V19 | D13-R15 WeakPolarHBondContact OD1-CA 3.38Å; D13-R15 WeakPolarHBondContact OD1-CB 3.5Å; D13-R15 PolarHBondContact OD1-N 3.03Å; R15-Q18 PolarHBondContact O-N 3.41Å; R15-V19 WeakPolarHBondContact O-CG2 3.45Å; R15-V19 PolarHBondContact O-N 3.18Å |
| 16 | N | 96.9 | Very high | 97.5 | Very high | 90 Ų | 90 | 104.9 Ų | 104.9 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.3 | -35 | 175.7 | -82.3 | -52.1 | 0 | 0 | 0 | 112.1 | I11 D13 T20 | I11-N16 HydrophobicContact CG2-CB 4.2Å; D13-N16 HydrophobicContact CB-CB 4.07Å; D13-N16 PolarHBondContact OD1-N 3.1Å; D13-N16 PolarHBondContact OD2-ND2 3.17Å; N16-T20 WeakPolarHBondContact O-CB 3.49Å; N16-T20 PolarHBondContact O-N 3.31Å; N16-T20 PolarHBondContact O-OG1 3.19Å |
| 17 | R | 97.8 | Very high | 97.6 | Very high | 44 Ų | 44 | 102.2 Ų | 102.2 | 17% | 0.166 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 173.2 | -174.7 | 167.1 | 66.9 | -111.2 | 7.3 | 111.7 | I11 M12 D13 E14 T20 F21 | I11-R17 HydrophobicContact CB-CB 4Å; I11-R17 HydrophobicContact CB-CG 4.34Å; I11-R17 HydrophobicContact CG2-CB 3.98Å; I11-R17 WeakPolarHBondContact O-CD 3.19Å; I11-R17 PolarHBondContact O-NH1 3.23Å; M12-R17 PolarHBondContact O-NH1 3.36Å; D13-R17 WeakPolarHBondContact O-CB 3.49Å; D13-R17 PolarHBondContact O-N 3.37Å; E14-R17 PolarHBondContact O-N 3.06Å; E14-R17 IonicContact OE1-CZ 2.66Å; E14-R17 VanDerWaalsContact OE1-CZ 3.29Å; E14-R17 IonicContact OE1-NE 2.59Å; E14-R17 IonicContact OE1-NH2 3.69Å; E14-R17 PolarHBondContact OE1-NH2 2.67Å; E14-R17 IonicContact OE2-CZ 2.65Å; E14-R17 IonicContact OE2-NH1 2.71Å; E14-R17 IonicContact OE2-NH2 3.14Å; E14-R17 PolarHBondContact OE2-NH2 2.75Å; R17-T20 PolarHBondContact O-N 3.07Å; R17-F21 WeakPolarHBondContact O-CB 3.34Å; R17-F21 PolarHBondContact O-N 2.97Å |
| 18 | Q | 97.8 | Very high | 97.7 | Very high | 97 Ų | 97 | 99 Ų | 99 | 45% | 0.453 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | -179.6 | -179.3 | 61.1 | 4.4 | 0 | 0 | 112.4 | E14 R15 T20 F21 T22 | E14-Q18 WeakPolarHBondContact O-CB 3.3Å; E14-Q18 PolarHBondContact O-N 3.21Å; R15-Q18 PolarHBondContact O-N 3.41Å; Q18-T20 VanDerWaalsContact C-N 3.32Å; Q18-T20 PolarHBondContact O-N 3.2Å; Q18-F21 PolarHBondContact O-N 2.67Å; Q18-T22 PolarHBondContact O-N 3.25Å; Q18-T22 PolarHBondContact O-OG1 3.23Å |
| 19 | V | 97.4 | Very high | 97.8 | Very high | 77 Ų | 77 | 93.3 Ų | 93.3 | 47% | 0.467 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 174.8 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | R15 K23 | R15-V19 WeakPolarHBondContact O-CG2 3.45Å; R15-V19 PolarHBondContact O-N 3.18Å; V19-K23 HydrophobicContact CG1-CD 3.97Å; V19-K23 WeakPolarHBondContact O-CB 3.08Å; V19-K23 VanDerWaalsContact O-CG 3.31Å; V19-K23 WeakPolarHBondContact O-CG 3.49Å; V19-K23 PolarHBondContact O-N 3.24Å |
| 20 | T | 97 | Very high | 97.9 | Very high | 37 Ų | 37 | 93.9 Ų | 93.9 | 23% | 0.227 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -68.9 | -40.2 | 177.1 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | I11 N16 R17 Q18 K23 R24 | I11-T20 HydrophobicContact CD1-CG2 3.78Å; N16-T20 WeakPolarHBondContact O-CB 3.49Å; N16-T20 PolarHBondContact O-N 3.31Å; N16-T20 PolarHBondContact O-OG1 3.19Å; R17-T20 PolarHBondContact O-N 3.07Å; Q18-T20 VanDerWaalsContact C-N 3.32Å; Q18-T20 PolarHBondContact O-N 3.2Å; T20-K23 PolarHBondContact O-N 3.04Å; T20-R24 HydrophobicContact CG2-CG 4.03Å; T20-R24 VanDerWaalsContact O-CB 3.31Å; T20-R24 WeakPolarHBondContact O-CB 3.41Å; T20-R24 WeakPolarHBondContact O-CG 3.42Å; T20-R24 PolarHBondContact O-N 2.93Å |
| 21 | F | 98.3 | Very high | 98 | Very high | 45 Ų | 45 | 92.2 Ų | 92.2 | 20% | 0.197 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -58.8 | -55.6 | 176.1 | 175.9 | -102 | 0 | 0 | 0 | 110.8 | R17 Q18 K23 R24 K25 I47 N49 F55 | R17-F21 WeakPolarHBondContact O-CB 3.34Å; R17-F21 PolarHBondContact O-N 2.97Å; Q18-F21 PolarHBondContact O-N 2.67Å; F21-K23 VanDerWaalsContact C-N 3.29Å; F21-K23 PolarHBondContact O-N 3.47Å; F21-R24 PolarHBondContact O-N 2.87Å; F21-K25 HydrophobicContact CE1-CD 4.03Å; F21-K25 HydrophobicContact CZ-CD 3.97Å; F21-K25 WeakPolarHBondContact O-CB 3.5Å; F21-K25 PolarHBondContact O-N 2.65Å; F21-I47 HydrophobicContact CE2-CG2 3.83Å; F21-I47 HydrophobicContact CZ-CG2 4.07Å; F21-N49 HydrophobicContact CE1-CB 4.4Å; F21-N49 HydrophobicContact CE2-CB 4.28Å; F21-N49 HydrophobicContact CZ-CB 3.94Å; F21-F55 HydrophobicContact CE1-CD2 4.06Å; F21-F55 AromaticContact CE1-CE2 3.73Å; F21-F55 HydrophobicContact CE1-CE2 3.73Å; F21-F55 HydrophobicContact CE1-CZ 4.01Å; F21-F55 AromaticContact CZ-CD2 3.75Å; F21-F55 HydrophobicContact CZ-CD2 3.75Å; F21-F55 AromaticContact CZ-CE2 3.79Å; F21-F55 HydrophobicContact CZ-CE2 3.79Å; F21-F55 HydrophobicContact CZ-CG 4.44Å; F21-F55 HydrophobicContact CZ-CZ 4.5Å |
| 22 | T | 97.9 | Very high | 98 | Very high | 74 Ų | 74 | 90.5 Ų | 90.5 | 45% | 0.454 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -54.2 | -45.3 | 178.9 | -61.6 | 0 | 0 | 0 | 0 | 112 | Q18 F26 | Q18-T22 PolarHBondContact O-N 3.25Å; Q18-T22 PolarHBondContact O-OG1 3.23Å; T22-F26 PolarHBondContact O-N 2.84Å |
| 23 | K | 97.1 | Very high | 98.1 | Very high | 153 Ų | 153 | 89.6 Ų | 89.6 | 67% | 0.665 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -72.4 | -41.4 | -178.4 | -67.9 | 175 | 70.3 | 168.3 | 0 | 113.2 | V19 T20 F21 G27 | V19-K23 HydrophobicContact CG1-CD 3.97Å; V19-K23 WeakPolarHBondContact O-CB 3.08Å; V19-K23 VanDerWaalsContact O-CG 3.31Å; V19-K23 WeakPolarHBondContact O-CG 3.49Å; V19-K23 PolarHBondContact O-N 3.24Å; T20-K23 PolarHBondContact O-N 3.04Å; F21-K23 VanDerWaalsContact C-N 3.29Å; F21-K23 PolarHBondContact O-N 3.47Å; K23-G27 PolarHBondContact O-N 3.03Å; K23-G27 VanDerWaalsContact O-N 3.09Å |
| 24 | R | 98.3 | Very high | 98.1 | Very high | 141 Ų | 141 | 88 Ų | 88 | 53% | 0.532 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -71.6 | -39.3 | 177.5 | -74.3 | -169.7 | 176 | -150 | -1.3 | 111.9 | T20 F21 F26 G27 L28 | T20-R24 HydrophobicContact CG2-CG 4.03Å; T20-R24 VanDerWaalsContact O-CB 3.31Å; T20-R24 WeakPolarHBondContact O-CB 3.41Å; T20-R24 WeakPolarHBondContact O-CG 3.42Å; T20-R24 PolarHBondContact O-N 2.93Å; F21-R24 PolarHBondContact O-N 2.87Å; R24-F26 PolarHBondContact O-N 3.46Å; R24-G27 PolarHBondContact O-N 2.96Å; R24-L28 WeakPolarHBondContact O-CB 3.43Å; R24-L28 PolarHBondContact O-N 2.59Å |
| 25 | K | 98.5 | Very high | 98.2 | Very high | 46 Ų | 46 | 87.1 Ų | 87.1 | 20% | 0.2 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -56.5 | -49.8 | 174.8 | -170.8 | -174 | 78.7 | 71.4 | 0 | 111.1 | F21 L28 M29 I47 F55 | F21-K25 HydrophobicContact CE1-CD 4.03Å; F21-K25 HydrophobicContact CZ-CD 3.97Å; F21-K25 WeakPolarHBondContact O-CB 3.5Å; F21-K25 PolarHBondContact O-N 2.65Å; K25-L28 PolarHBondContact O-N 3.08Å; K25-M29 HydrophobicContact CD-CE 4.14Å; K25-M29 HydrophobicContact CD-SD 4.5Å; K25-M29 HydrophobicContact CG-CE 3.88Å; K25-M29 HydrophobicContact CG-SD 3.96Å; K25-M29 PolarHBondContact NZ-SD 3.4Å; K25-M29 WeakPolarHBondContact O-CB 3.32Å; K25-M29 VanDerWaalsContact O-CG 3.27Å; K25-M29 WeakPolarHBondContact O-CG 3.22Å; K25-M29 PolarHBondContact O-N 3.1Å; K25-I47 HydrophobicContact CG-CD1 3.94Å; K25-F55 HydrophobicContact CD-CB 3.83Å; K25-F55 HydrophobicContact CD-CD1 3.99Å; K25-F55 HydrophobicContact CD-CG 3.87Å |
| 26 | F | 98.6 | Very high | 98.2 | Very high | 145 Ų | 145 | 78 Ų | 78 | 64% | 0.636 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.5 | -41.7 | 176.9 | -175.1 | -98.5 | 0 | 0 | 0 | 112.5 | T22 R24 L28 M29 K30 | T22-F26 PolarHBondContact O-N 2.84Å; R24-F26 PolarHBondContact O-N 3.46Å; F26-L28 VanDerWaalsContact C-N 3.35Å; F26-L28 PolarHBondContact O-N 2.94Å; F26-M29 PolarHBondContact O-N 2.91Å; F26-K30 PolarHBondContact O-N 3.35Å |
| 27 | G | 98.6 | Very high | 98.3 | Very high | 35 Ų | 35 | 78 Ų | 78 | 36% | 0.361 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62 | -38.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K23 R24 K30 K31 | K23-G27 PolarHBondContact O-N 3.03Å; K23-G27 VanDerWaalsContact O-N 3.09Å; R24-G27 PolarHBondContact O-N 2.96Å; G27-K30 PolarHBondContact O-N 2.9Å; G27-K31 PolarHBondContact O-N 3.42Å; G27-K31 VanDerWaalsContact O-N 3.08Å |
| 28 | L | 98.7 | Very high | 98.3 | Very high | 90 Ų | 90 | 82.8 Ų | 82.8 | 47% | 0.471 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69 | -44.8 | 176 | -177.4 | 60.7 | 0 | 0 | 0 | 111.4 | R24 K25 F26 K30 K31 A32 L45 I47 | R24-L28 WeakPolarHBondContact O-CB 3.43Å; R24-L28 PolarHBondContact O-N 2.59Å; K25-L28 PolarHBondContact O-N 3.08Å; F26-L28 VanDerWaalsContact C-N 3.35Å; F26-L28 PolarHBondContact O-N 2.94Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.39Å; L28-K31 PolarHBondContact O-N 3.31Å; L28-K31 VanDerWaalsContact O-N 3.1Å; L28-A32 PolarHBondContact O-N 2.94Å; L28-L45 HydrophobicContact CD2-CD1 4.24Å; L28-L45 HydrophobicContact CD2-CD2 3.98Å; L28-L45 HydrophobicContact CG-CD2 3.88Å; L28-I47 HydrophobicContact CD2-CD1 4.35Å |
| 29 | M | 98.6 | Very high | 98.4 | Very high | 24 Ų | 24 | 81.8 Ų | 81.8 | 12% | 0.118 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.3 | -40.8 | 173.7 | -71.4 | 167.3 | 166.1 | 0 | 0 | 111.8 | K25 F26 K31 A32 Y33 L45 Q56 Y57 | K25-M29 HydrophobicContact CD-CE 4.14Å; K25-M29 HydrophobicContact CD-SD 4.5Å; K25-M29 HydrophobicContact CG-CE 3.88Å; K25-M29 HydrophobicContact CG-SD 3.96Å; K25-M29 PolarHBondContact NZ-SD 3.4Å; K25-M29 WeakPolarHBondContact O-CB 3.32Å; K25-M29 VanDerWaalsContact O-CG 3.27Å; K25-M29 WeakPolarHBondContact O-CG 3.22Å; K25-M29 PolarHBondContact O-N 3.1Å; F26-M29 PolarHBondContact O-N 2.91Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 2.82Å; M29-A32 PolarHBondContact O-N 2.92Å; M29-Y33 PolarHBondContact O-N 3.34Å; M29-L45 HydrophobicContact CG-CD2 4.21Å; M29-Q56 WeakPolarHBondContact CE-O 3.15Å; M29-Y57 HydrophobicContact CG-CG 4.31Å |
| 30 | K | 98.8 | Very high | 98.4 | Very high | 109 Ų | 109 | 85.9 Ų | 85.9 | 47% | 0.474 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 173.9 | -168.3 | 177 | -167.6 | -73.3 | 0 | 112.5 | F26 G27 L28 E34 | F26-K30 PolarHBondContact O-N 3.35Å; G27-K30 PolarHBondContact O-N 2.9Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.39Å; K30-E34 IonicContact NZ-OE1 2.67Å; K30-E34 PolarHBondContact NZ-OE1 2.91Å; K30-E34 WeakPolarHBondContact O-CB 3.37Å; K30-E34 VanDerWaalsContact O-CG 3.29Å; K30-E34 WeakPolarHBondContact O-CG 3.49Å; K30-E34 PolarHBondContact O-N 3.46Å |
| 31 | K | 98.8 | Very high | 98.4 | Very high | 133 Ų | 133 | 86.7 Ų | 86.7 | 58% | 0.578 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -72.2 | -36.7 | 176.8 | -81.7 | -74.3 | 165.6 | -158.8 | 0 | 113.2 | G27 L28 M29 E34 L35 | G27-K31 PolarHBondContact O-N 3.42Å; G27-K31 VanDerWaalsContact O-N 3.08Å; L28-K31 PolarHBondContact O-N 3.31Å; L28-K31 VanDerWaalsContact O-N 3.1Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 2.82Å; K31-E34 WeakPolarHBondContact CD-OE2 3.45Å; K31-E34 WeakPolarHBondContact CE-OE2 3.32Å; K31-E34 IonicContact NZ-OE2 3.52Å; K31-E34 PolarHBondContact NZ-OE2 3.33Å; K31-L35 WeakPolarHBondContact O-CB 3.27Å; K31-L35 PolarHBondContact O-N 3.06Å |
| 32 | A | 98.7 | Very high | 98.4 | Very high | 14 Ų | 14 | 87.5 Ų | 87.5 | 12% | 0.116 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L28 M29 L35 S36 I43 Y57 | L28-A32 PolarHBondContact O-N 2.94Å; M29-A32 PolarHBondContact O-N 2.92Å; A32-L35 PolarHBondContact O-N 2.9Å; A32-S36 WeakPolarHBondContact O-CB 3.27Å; A32-S36 PolarHBondContact O-N 3.01Å; A32-S36 PolarHBondContact O-OG 3.44Å; A32-I43 HydrophobicContact CB-CG2 4.18Å; A32-Y57 HydrophobicContact CB-CD1 3.99Å; A32-Y57 HydrophobicContact CB-CE1 3.65Å |
| 33 | Y | 98.7 | Very high | 98.4 | Very high | 133 Ų | 133 | 85.8 Ų | 85.8 | 52% | 0.522 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -57.5 | -52.9 | 173.6 | 172.6 | -103 | 0 | 0 | 0 | 112.4 | M29 L35 S36 V37 Y57 | M29-Y33 PolarHBondContact O-N 3.34Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 3.21Å; Y33-S36 WeakPolarHBondContact CA-OG 3.26Å; Y33-S36 PolarHBondContact O-N 3.44Å; Y33-S36 PolarHBondContact O-OG 3.16Å; Y33-V37 HydrophobicContact CD2-CG2 4.05Å; Y33-V37 HydrophobicContact CE1-CG2 4.41Å; Y33-V37 HydrophobicContact CE2-CG2 3.6Å; Y33-V37 WeakPolarHBondContact O-CG2 3.3Å; Y33-V37 PolarHBondContact O-N 3.45Å; Y33-Y57 VanDerWaalsContact CA-OH 3.32Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.16Å |
| 34 | E | 98.8 | Very high | 98.5 | Very high | 47 Ų | 47 | 80.3 Ų | 80.3 | 22% | 0.22 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -54.4 | -44.8 | 177.6 | -76.1 | 167.3 | -168.3 | 0 | 0 | 112.2 | K30 K31 L38 | K30-E34 IonicContact NZ-OE1 2.67Å; K30-E34 PolarHBondContact NZ-OE1 2.91Å; K30-E34 WeakPolarHBondContact O-CB 3.37Å; K30-E34 VanDerWaalsContact O-CG 3.29Å; K30-E34 WeakPolarHBondContact O-CG 3.49Å; K30-E34 PolarHBondContact O-N 3.46Å; K31-E34 WeakPolarHBondContact CD-OE2 3.45Å; K31-E34 WeakPolarHBondContact CE-OE2 3.32Å; K31-E34 IonicContact NZ-OE2 3.52Å; K31-E34 PolarHBondContact NZ-OE2 3.33Å; E34-L38 VanDerWaalsContact O-CB 3.3Å; E34-L38 WeakPolarHBondContact O-CB 3.47Å; E34-L38 WeakPolarHBondContact O-CD1 3.29Å; E34-L38 WeakPolarHBondContact O-CG 3.36Å; E34-L38 PolarHBondContact O-N 3Å |
| 35 | L | 98.7 | Very high | 98.5 | Very high | 93 Ų | 93 | 75.3 Ų | 75.3 | 49% | 0.487 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 177.9 | -176.8 | 61.1 | 0 | 0 | 0 | 112.3 | K31 A32 Y33 V37 L38 C39 I43 | K31-L35 WeakPolarHBondContact O-CB 3.27Å; K31-L35 PolarHBondContact O-N 3.06Å; A32-L35 PolarHBondContact O-N 2.9Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 3.21Å; L35-V37 VanDerWaalsContact C-N 3.3Å; L35-V37 PolarHBondContact O-N 2.71Å; L35-L38 PolarHBondContact O-N 3.5Å; L35-C39 HydrophobicContact CD1-CB 4.39Å; L35-C39 PolarHBondContact O-N 3.43Å; L35-C39 VanDerWaalsContact O-N 3.1Å; L35-I43 HydrophobicContact CB-CD1 4.06Å; L35-I43 HydrophobicContact CD2-CD1 3.93Å; L35-I43 HydrophobicContact CG-CD1 3.97Å |
| 36 | S | 98.4 | Very high | 98.5 | Very high | 10 Ų | 10 | 77 Ų | 77 | 7% | 0.07 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.6 | -37.5 | 179.1 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | A32 Y33 D40 C41 S59 | A32-S36 WeakPolarHBondContact O-CB 3.27Å; A32-S36 PolarHBondContact O-N 3.01Å; A32-S36 PolarHBondContact O-OG 3.44Å; Y33-S36 WeakPolarHBondContact CA-OG 3.26Å; Y33-S36 PolarHBondContact O-N 3.44Å; Y33-S36 PolarHBondContact O-OG 3.16Å; S36-D40 WeakPolarHBondContact O-CA 3.33Å; S36-D40 PolarHBondContact O-N 3.22Å; S36-C41 WeakPolarHBondContact CA-O 3.48Å; S36-C41 WeakPolarHBondContact CB-O 3.47Å; S36-C41 PolarHBondContact O-N 3.25Å; S36-S59 WeakPolarHBondContact OG-CB 3.4Å |
| 37 | V | 98.5 | Very high | 98.5 | Very high | 92 Ų | 92 | 71.6 Ų | 71.6 | 56% | 0.558 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -80.3 | -36.6 | 179.3 | 178.4 | 0 | 0 | 0 | 0 | 112.6 | Y33 L35 | Y33-V37 HydrophobicContact CD2-CG2 4.05Å; Y33-V37 HydrophobicContact CE1-CG2 4.41Å; Y33-V37 HydrophobicContact CE2-CG2 3.6Å; Y33-V37 WeakPolarHBondContact O-CG2 3.3Å; Y33-V37 PolarHBondContact O-N 3.45Å; L35-V37 VanDerWaalsContact C-N 3.3Å; L35-V37 PolarHBondContact O-N 2.71Å |
| 38 | L | 98.7 | Very high | 98.5 | Very high | 144 Ų | 144 | 76 Ų | 76 | 75% | 0.754 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -76.5 | -23.8 | -178.1 | -71.5 | 170.7 | 0 | 0 | 0 | 113.8 | E34 L35 | E34-L38 VanDerWaalsContact O-CB 3.3Å; E34-L38 WeakPolarHBondContact O-CB 3.47Å; E34-L38 WeakPolarHBondContact O-CD1 3.29Å; E34-L38 WeakPolarHBondContact O-CG 3.36Å; E34-L38 PolarHBondContact O-N 3Å; L35-L38 PolarHBondContact O-N 3.5Å |
| 39 | C | 98.6 | Very high | 98.4 | Very high | 76 Ų | 76 | 73 Ų | 73 | 51% | 0.514 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | 12.1 | -173.2 | -58.4 | 0 | 0 | 0 | 0 | 113.9 | L35 C41 | L35-C39 HydrophobicContact CD1-CB 4.39Å; L35-C39 PolarHBondContact O-N 3.43Å; L35-C39 VanDerWaalsContact O-N 3.1Å; C39-C41 PolarHBondContact O-N 3.24Å; C39-C41 PolarHBondContact O-SG 3.26Å |
| 40 | D | 98.1 | Very high | 98.2 | Very high | 162 Ų | 162 | 75.5 Ų | 75.5 | 87% | 0.866 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 52.6 | -176.5 | -160.5 | 22.6 | 0 | 0 | 0 | 113.4 | S36 | S36-D40 WeakPolarHBondContact O-CA 3.33Å; S36-D40 PolarHBondContact O-N 3.22Å |
| 41 | C | 97.5 | Very high | 98.1 | Very high | 55 Ų | 55 | 74.5 Ų | 74.5 | 37% | 0.372 | 40% | 0.4 | S | S | . | . | | | trans | -112.2 | 129.7 | -170.6 | -75.6 | 0 | 0 | 0 | 0 | 112.8 | S36 C39 I43 S59 | S36-C41 WeakPolarHBondContact CA-O 3.48Å; S36-C41 WeakPolarHBondContact CB-O 3.47Å; S36-C41 PolarHBondContact O-N 3.25Å; C39-C41 PolarHBondContact O-N 3.24Å; C39-C41 PolarHBondContact O-SG 3.26Å; C41-I43 HydrophobicContact CB-CD1 4.35Å; C41-I43 HydrophobicContact CB-CG1 4.24Å; C41-S59 PolarHBondContact O-OG 2.71Å |
| 42 | E | 97.8 | Very high | 98 | Very high | 62 Ų | 62 | 74.8 Ų | 74.8 | 29% | 0.29 | 41% | 0.408 | S | S | . | . | | | trans | -77.1 | 121.1 | 168.5 | -65.8 | -170 | 118.8 | 0 | 0 | 110.2 | K64 V65 K68 | E42-K64 WeakPolarHBondContact OE1-CE 3.45Å; E42-K64 IonicContact OE1-NZ 2.67Å; E42-K64 PolarHBondContact OE1-NZ 3.04Å; E42-V65 HydrophobicContact CB-CG2 4.15Å; E42-K68 IonicContact OE2-NZ 2.71Å; E42-K68 PolarHBondContact OE2-NZ 3.09Å |
| 43 | I | 98.3 | Very high | 97.9 | Very high | 37 Ų | 37 | 80.6 Ų | 80.6 | 19% | 0.19 | 43% | 0.43 | C | S | . | . | | | trans | -132.6 | 124.7 | -174.6 | -59.4 | 177.6 | 0 | 0 | 0 | 109.2 | A32 L35 C41 A58 S59 | A32-I43 HydrophobicContact CB-CG2 4.18Å; L35-I43 HydrophobicContact CB-CD1 4.06Å; L35-I43 HydrophobicContact CD2-CD1 3.93Å; L35-I43 HydrophobicContact CG-CD1 3.97Å; C41-I43 HydrophobicContact CB-CD1 4.35Å; C41-I43 HydrophobicContact CB-CG1 4.24Å; I43-A58 CarbonylContact O-C 3.52Å; I43-A58 VanDerWaalsContact O-CA 3.27Å; I43-A58 WeakPolarHBondContact O-CA 3.45Å; I43-S59 PolarHBondContact N-OG 2.72Å; I43-S59 PolarHBondContact O-N 2.97Å |
| 44 | A | 98.3 | Very high | 97.9 | Very high | 39 Ų | 39 | 78.1 Ų | 78.1 | 32% | 0.322 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 144.9 | 166 | 0 | 0 | 0 | 0 | 0 | 110.6 | M62 V65 | A44-M62 HydrophobicContact CB-CE 4.01Å; A44-M62 HydrophobicContact CB-SD 3.72Å; A44-V65 HydrophobicContact CB-CB 4.17Å; A44-V65 HydrophobicContact CB-CG1 3.57Å |
| 45 | L | 98.5 | Very high | 97.9 | Very high | 36 Ų | 36 | 78.9 Ų | 78.9 | 19% | 0.188 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 118.8 | 178.3 | 175.1 | 62.5 | 0 | 0 | 0 | 109.9 | L28 M29 I47 Q56 Y57 | L28-L45 HydrophobicContact CD2-CD1 4.24Å; L28-L45 HydrophobicContact CD2-CD2 3.98Å; L28-L45 HydrophobicContact CG-CD2 3.88Å; M29-L45 HydrophobicContact CG-CD2 4.21Å; L45-I47 HydrophobicContact CD1-CD1 4.34Å; L45-I47 HydrophobicContact CD1-CG1 4.14Å; L45-I47 HydrophobicContact CD2-CD1 4.13Å; L45-I47 HydrophobicContact CG-CD1 4.14Å; L45-I47 HydrophobicContact CG-CG1 4.18Å; L45-Q56 CarbonylContact O-C 3.56Å; L45-Q56 WeakPolarHBondContact O-CA 3.49Å; L45-Y57 HydrophobicContact CB-CD1 4.35Å; L45-Y57 PolarHBondContact N-O 3.39Å; L45-Y57 PolarHBondContact O-N 3.19Å |
| 46 | I | 98.4 | Very high | 97.9 | Very high | 82 Ų | 82 | 79.4 Ų | 79.4 | 42% | 0.421 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.2 | 179.4 | -67.2 | 174.3 | 0 | 0 | 0 | 108.8 | F48 L54 M62 L66 | I46-F48 HydrophobicContact CG2-CD2 4.06Å; I46-F48 HydrophobicContact CG2-CE2 3.58Å; I46-F48 HydrophobicContact CG2-CZ 4.28Å; I46-L54 HydrophobicContact CG2-CD1 3.8Å; I46-M62 HydrophobicContact CG1-CE 4.01Å; I46-L66 HydrophobicContact CD1-CD2 4.28Å |
| 47 | I | 98.6 | Very high | 97.9 | Very high | 30 Ų | 30 | 81 Ų | 81 | 15% | 0.154 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 111.9 | -179.8 | -57.9 | 170.9 | 0 | 0 | 0 | 109.2 | F21 K25 L28 L45 F55 | F21-I47 HydrophobicContact CE2-CG2 3.83Å; F21-I47 HydrophobicContact CZ-CG2 4.07Å; K25-I47 HydrophobicContact CG-CD1 3.94Å; L28-I47 HydrophobicContact CD2-CD1 4.35Å; L45-I47 HydrophobicContact CD1-CD1 4.34Å; L45-I47 HydrophobicContact CD1-CG1 4.14Å; L45-I47 HydrophobicContact CD2-CD1 4.13Å; L45-I47 HydrophobicContact CG-CD1 4.14Å; L45-I47 HydrophobicContact CG-CG1 4.18Å; I47-F55 HydrophobicContact CB-CB 4.45Å; I47-F55 PolarHBondContact N-O 3.11Å; I47-F55 PolarHBondContact O-N 3.48Å |
| 48 | F | 98.4 | Very high | 97.9 | Very high | 128 Ų | 128 | 77.8 Ų | 77.8 | 56% | 0.561 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 134.5 | 163.7 | -64.7 | -82.7 | 0 | 0 | 0 | 109.7 | I46 L54 | I46-F48 HydrophobicContact CG2-CD2 4.06Å; I46-F48 HydrophobicContact CG2-CE2 3.58Å; I46-F48 HydrophobicContact CG2-CZ 4.28Å; F48-L54 HydrophobicContact CD1-CB 4.24Å; F48-L54 HydrophobicContact CD1-CD1 4.46Å; F48-L54 HydrophobicContact CE1-CB 3.9Å; F48-L54 HydrophobicContact CE1-CD1 3.98Å; F48-L54 HydrophobicContact CE1-CG 4.42Å; F48-L54 HydrophobicContact CE2-CD1 4.39Å; F48-L54 HydrophobicContact CZ-CD1 3.94Å |
| 49 | N | 96.5 | Very high | 97.9 | Very high | 27 Ų | 27 | 72.6 Ų | 72.6 | 14% | 0.144 | 39% | 0.392 | C | S | . | . | | | trans | -86.2 | 176.9 | 170.4 | 83 | -21.4 | 0 | 0 | 0 | 111.4 | F21 T51 N52 K53 F55 | F21-N49 HydrophobicContact CE1-CB 4.4Å; F21-N49 HydrophobicContact CE2-CB 4.28Å; F21-N49 HydrophobicContact CZ-CB 3.94Å; N49-T51 PolarHBondContact ND2-OG1 2.98Å; N49-T51 PolarHBondContact O-N 3.22Å; N49-T51 VanDerWaalsContact OD1-C 3.24Å; N49-T51 WeakPolarHBondContact OD1-CA 3.31Å; N49-T51 PolarHBondContact OD1-N 3.39Å; N49-T51 PolarHBondContact OD1-OG1 3.47Å; N49-N52 PolarHBondContact O-N 2.89Å; N49-N52 PolarHBondContact OD1-N 2.81Å; N49-K53 PolarHBondContact N-O 3.48Å; N49-K53 VanDerWaalsContact N-O 3.13Å; N49-K53 WeakPolarHBondContact OD1-CB 3.5Å; N49-K53 PolarHBondContact OD1-N 2.85Å; N49-F55 HydrophobicContact CB-CE2 4.1Å |
| 50 | S | 95.3 | Very high | 97.8 | Very high | 77 Ų | 77 | 73 Ų | 73 | 54% | 0.538 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 6.4 | 176.5 | 60.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 51 | T | 96.2 | Very high | 97.8 | Very high | 88 Ų | 88 | 69.4 Ų | 69.4 | 54% | 0.54 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | 26 | 169.7 | 73.8 | 0 | 0 | 0 | 0 | 110.7 | N49 K53 | N49-T51 PolarHBondContact ND2-OG1 2.98Å; N49-T51 PolarHBondContact O-N 3.22Å; N49-T51 VanDerWaalsContact OD1-C 3.24Å; N49-T51 WeakPolarHBondContact OD1-CA 3.31Å; N49-T51 PolarHBondContact OD1-N 3.39Å; N49-T51 PolarHBondContact OD1-OG1 3.47Å; T51-K53 PolarHBondContact O-N 3.39Å |
| 52 | N | 96.8 | Very high | 97.8 | Very high | 138 Ų | 138 | 67.4 Ų | 67.4 | 74% | 0.738 | 36% | 0.359 | S | S | * | . | | | trans | 52.4 | 20.7 | 179.8 | -59.3 | -13.9 | 0 | 0 | 0 | 115.6 | N49 L54 | N49-N52 PolarHBondContact O-N 2.89Å; N49-N52 PolarHBondContact OD1-N 2.81Å; N52-L54 PolarHBondContact O-N 2.82Å |
| 53 | K | 98 | Very high | 97.8 | Very high | 136 Ų | 136 | 70.2 Ų | 70.2 | 59% | 0.591 | 38% | 0.375 | S | S | * | . | | | trans | -78.1 | 122.3 | 172.6 | -65.9 | -173.2 | 177.4 | -171 | 0 | 109.1 | N49 T51 F55 | N49-K53 PolarHBondContact N-O 3.48Å; N49-K53 VanDerWaalsContact N-O 3.13Å; N49-K53 WeakPolarHBondContact OD1-CB 3.5Å; N49-K53 PolarHBondContact OD1-N 2.85Å; T51-K53 PolarHBondContact O-N 3.39Å; K53-F55 HydrophobicContact CB-CE2 4Å; K53-F55 HydrophobicContact CB-CZ 4.43Å; K53-F55 WeakPolarHBondContact O-CD2 3.38Å |
| 54 | L | 98.1 | Very high | 97.7 | Very high | 82 Ų | 82 | 73.8 Ų | 73.8 | 43% | 0.429 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 134.5 | 174.1 | 176.2 | 58.6 | 0 | 0 | 0 | 110.8 | I46 F48 N52 | I46-L54 HydrophobicContact CG2-CD1 3.8Å; F48-L54 HydrophobicContact CD1-CB 4.24Å; F48-L54 HydrophobicContact CD1-CD1 4.46Å; F48-L54 HydrophobicContact CE1-CB 3.9Å; F48-L54 HydrophobicContact CE1-CD1 3.98Å; F48-L54 HydrophobicContact CE1-CG 4.42Å; F48-L54 HydrophobicContact CE2-CD1 4.39Å; F48-L54 HydrophobicContact CZ-CD1 3.94Å; N52-L54 PolarHBondContact O-N 2.82Å |
| 55 | F | 98.5 | Very high | 97.7 | Very high | 63 Ų | 63 | 72.8 Ų | 72.8 | 28% | 0.276 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 124.6 | 163.3 | -58.1 | -94.3 | 0 | 0 | 0 | 107.9 | F21 K25 I47 N49 K53 | F21-F55 HydrophobicContact CE1-CD2 4.06Å; F21-F55 AromaticContact CE1-CE2 3.73Å; F21-F55 HydrophobicContact CE1-CE2 3.73Å; F21-F55 HydrophobicContact CE1-CZ 4.01Å; F21-F55 AromaticContact CZ-CD2 3.75Å; F21-F55 HydrophobicContact CZ-CD2 3.75Å; F21-F55 AromaticContact CZ-CE2 3.79Å; F21-F55 HydrophobicContact CZ-CE2 3.79Å; F21-F55 HydrophobicContact CZ-CG 4.44Å; F21-F55 HydrophobicContact CZ-CZ 4.5Å; K25-F55 HydrophobicContact CD-CB 3.83Å; K25-F55 HydrophobicContact CD-CD1 3.99Å; K25-F55 HydrophobicContact CD-CG 3.87Å; I47-F55 HydrophobicContact CB-CB 4.45Å; I47-F55 PolarHBondContact N-O 3.11Å; I47-F55 PolarHBondContact O-N 3.48Å; N49-F55 HydrophobicContact CB-CE2 4.1Å; K53-F55 HydrophobicContact CB-CE2 4Å; K53-F55 HydrophobicContact CB-CZ 4.43Å; K53-F55 WeakPolarHBondContact O-CD2 3.38Å |
| 56 | Q | 98.3 | Very high | 97.6 | Very high | 104 Ų | 104 | 74.3 Ų | 74.3 | 49% | 0.486 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 160.9 | -178 | 70.4 | -166.5 | 65.1 | 0 | 0 | 112.9 | M29 L45 M62 | M29-Q56 WeakPolarHBondContact CE-O 3.15Å; L45-Q56 CarbonylContact O-C 3.56Å; L45-Q56 WeakPolarHBondContact O-CA 3.49Å; Q56-M62 HydrophobicContact CB-CE 3.84Å; Q56-M62 HydrophobicContact CG-CE 4.49Å |
| 57 | Y | 98.6 | Very high | 97.5 | Very high | 44 Ų | 44 | 75.3 Ų | 75.3 | 17% | 0.173 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 141.8 | 166.7 | 165.8 | -91.9 | 0 | 0 | 0 | 108.5 | M29 A32 Y33 L45 S59 M62 | M29-Y57 HydrophobicContact CG-CG 4.31Å; A32-Y57 HydrophobicContact CB-CD1 3.99Å; A32-Y57 HydrophobicContact CB-CE1 3.65Å; Y33-Y57 VanDerWaalsContact CA-OH 3.32Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.16Å; L45-Y57 HydrophobicContact CB-CD1 4.35Å; L45-Y57 PolarHBondContact N-O 3.39Å; L45-Y57 PolarHBondContact O-N 3.19Å; Y57-S59 WeakPolarHBondContact OH-CA 3.44Å; Y57-M62 VanDerWaalsContact O-CE 3.26Å; Y57-M62 WeakPolarHBondContact O-CE 3.33Å |
| 58 | A | 98.5 | Very high | 97.4 | Very high | 24 Ų | 24 | 77.7 Ų | 77.7 | 20% | 0.198 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 149.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | I43 T60 M62 | I43-A58 CarbonylContact O-C 3.52Å; I43-A58 VanDerWaalsContact O-CA 3.27Å; I43-A58 WeakPolarHBondContact O-CA 3.45Å; A58-T60 VanDerWaalsContact C-N 3.34Å; A58-M62 HydrophobicContact CB-CB 4.2Å; A58-M62 HydrophobicContact CB-CE 4.39Å |
| 59 | S | 98.1 | Very high | 97.2 | Very high | 35 Ų | 35 | 79.5 Ų | 79.5 | 25% | 0.245 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -75.5 | -24.8 | 173.6 | 58.4 | 0 | 0 | 0 | 0 | 113.1 | S36 C41 I43 Y57 | S36-S59 WeakPolarHBondContact OG-CB 3.4Å; C41-S59 PolarHBondContact O-OG 2.71Å; I43-S59 PolarHBondContact N-OG 2.72Å; I43-S59 PolarHBondContact O-N 2.97Å; Y57-S59 WeakPolarHBondContact OH-CA 3.44Å |
| 60 | T | 97.1 | Very high | 97.1 | Very high | 84 Ų | 84 | 83.2 Ų | 83.2 | 52% | 0.515 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -121.8 | -88.5 | 174.9 | 52.3 | 0 | 0 | 0 | 0 | 110.5 | A58 | A58-T60 VanDerWaalsContact C-N 3.34Š|
| 61 | D | 97.4 | Very high | 97 | Very high | 86 Ų | 86 | 85.5 Ų | 85.5 | 46% | 0.46 | 43% | 0.432 | S | S | . | . | | | trans | -135.4 | 138.5 | 179.5 | -174.2 | -64.4 | 0 | 0 | 0 | 108.9 | D63 K64 V65 | D61-D63 PolarHBondContact OD1-N 3.45Å; D61-K64 HydrophobicContact CB-CB 3.9Å; D61-K64 PolarHBondContact OD1-N 3.28Å; D61-V65 WeakPolarHBondContact O-CG2 3.31Å; D61-V65 PolarHBondContact O-N 2.84Å |
| 62 | M | 98.1 | Very high | 96.7 | Very high | 14 Ų | 14 | 88.9 Ų | 88.9 | 7% | 0.069 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -70.4 | -44 | -176.7 | -179.2 | 56.4 | 81.9 | 0 | 0 | 111.8 | A44 I46 Q56 Y57 A58 K64 V65 L66 | A44-M62 HydrophobicContact CB-CE 4.01Å; A44-M62 HydrophobicContact CB-SD 3.72Å; I46-M62 HydrophobicContact CG1-CE 4.01Å; Q56-M62 HydrophobicContact CB-CE 3.84Å; Q56-M62 HydrophobicContact CG-CE 4.49Å; Y57-M62 VanDerWaalsContact O-CE 3.26Å; Y57-M62 WeakPolarHBondContact O-CE 3.33Å; A58-M62 HydrophobicContact CB-CB 4.2Å; A58-M62 HydrophobicContact CB-CE 4.39Å; M62-K64 VanDerWaalsContact C-N 3.32Å; M62-K64 PolarHBondContact O-N 3.25Å; M62-V65 PolarHBondContact O-N 3.35Å; M62-L66 HydrophobicContact CG-CD1 3.76Å; M62-L66 HydrophobicContact CG-CG 4.23Å; M62-L66 WeakPolarHBondContact O-CB 3.36Å; M62-L66 WeakPolarHBondContact O-CG 3.34Å; M62-L66 PolarHBondContact O-N 2.99Å; M62-L66 HydrophobicContact SD-CD1 3.84Å; M62-L66 HydrophobicContact SD-CD2 4.35Å; M62-L66 HydrophobicContact SD-CG 3.81Å |
| 63 | D | 97.5 | Very high | 95.7 | Very high | 120 Ų | 120 | 90.5 Ų | 90.5 | 64% | 0.642 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -71.4 | -34.8 | -174.3 | -62.2 | -16.4 | 0 | 0 | 0 | 109.7 | D61 L67 | D61-D63 PolarHBondContact OD1-N 3.45Å; D63-L67 VanDerWaalsContact O-CB 3.22Å; D63-L67 WeakPolarHBondContact O-CB 3.33Å; D63-L67 PolarHBondContact O-N 3.29Å |
| 64 | K | 97.5 | Very high | 95.1 | Very high | 112 Ų | 112 | 91.9 Ų | 91.9 | 49% | 0.487 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 170.4 | -169 | -158.8 | 176.8 | -159.8 | 0 | 112.4 | E42 D61 M62 K68 | E42-K64 WeakPolarHBondContact OE1-CE 3.45Å; E42-K64 IonicContact OE1-NZ 2.67Å; E42-K64 PolarHBondContact OE1-NZ 3.04Å; D61-K64 HydrophobicContact CB-CB 3.9Å; D61-K64 PolarHBondContact OD1-N 3.28Å; M62-K64 VanDerWaalsContact C-N 3.32Å; M62-K64 PolarHBondContact O-N 3.25Å; K64-K68 WeakPolarHBondContact O-CB 3.34Å; K64-K68 PolarHBondContact O-N 3.04Å |
| 65 | V | 97.3 | Very high | 94.7 | Very high | 19 Ų | 19 | 91.3 Ų | 91.3 | 12% | 0.115 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -73.5 | -33 | -177.2 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | E42 A44 D61 M62 Y69 | E42-V65 HydrophobicContact CB-CG2 4.15Å; A44-V65 HydrophobicContact CB-CB 4.17Å; A44-V65 HydrophobicContact CB-CG1 3.57Å; D61-V65 WeakPolarHBondContact O-CG2 3.31Å; D61-V65 PolarHBondContact O-N 2.84Å; M62-V65 PolarHBondContact O-N 3.35Å; V65-Y69 WeakPolarHBondContact O-CB 3.43Å; V65-Y69 PolarHBondContact O-N 2.78Å |
| 66 | L | 96.8 | Very high | 94.4 | Very high | 68 Ų | 68 | 97.9 Ų | 97.9 | 36% | 0.356 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.6 | -41.3 | 173.2 | -70.2 | 176 | 0 | 0 | 0 | 112.6 | I46 M62 Y69 T70 | I46-L66 HydrophobicContact CD1-CD2 4.28Å; M62-L66 HydrophobicContact CG-CD1 3.76Å; M62-L66 HydrophobicContact CG-CG 4.23Å; M62-L66 WeakPolarHBondContact O-CB 3.36Å; M62-L66 WeakPolarHBondContact O-CG 3.34Å; M62-L66 PolarHBondContact O-N 2.99Å; M62-L66 HydrophobicContact SD-CD1 3.84Å; M62-L66 HydrophobicContact SD-CD2 4.35Å; M62-L66 HydrophobicContact SD-CG 3.81Å; L66-Y69 WeakPolarHBondContact O-CB 3.39Å; L66-Y69 PolarHBondContact O-N 3.19Å; L66-T70 PolarHBondContact O-N 3Å; L66-T70 PolarHBondContact O-OG1 3.13Å |
| 67 | L | 96.2 | Very high | 94.1 | Very high | 102 Ų | 102 | 98.9 Ų | 98.9 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.8 | -50.6 | 173.4 | 177.5 | 61.8 | 0 | 0 | 0 | 110.4 | D63 Y69 T70 E71 | D63-L67 VanDerWaalsContact O-CB 3.22Å; D63-L67 WeakPolarHBondContact O-CB 3.33Å; D63-L67 PolarHBondContact O-N 3.29Å; L67-Y69 VanDerWaalsContact C-N 3.31Å; L67-Y69 PolarHBondContact O-N 3.01Å; L67-T70 PolarHBondContact O-N 3.03Å; L67-T70 PolarHBondContact O-OG1 3.13Å; L67-E71 WeakPolarHBondContact O-CG 3.2Å; L67-E71 PolarHBondContact O-N 3.22Å; L67-E71 VanDerWaalsContact O-N 3.16Å |
| 68 | K | 95.4 | Very high | 93.9 | Very high | 81 Ų | 81 | 100.9 Ų | 100.9 | 35% | 0.352 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -54.9 | -44.9 | 173.7 | -176.2 | 174.9 | 175.3 | 175.2 | 0 | 111.6 | E42 K64 T70 E71 Y72 | E42-K68 IonicContact OE2-NZ 2.71Å; E42-K68 PolarHBondContact OE2-NZ 3.09Å; K64-K68 WeakPolarHBondContact O-CB 3.34Å; K64-K68 PolarHBondContact O-N 3.04Å; K68-T70 VanDerWaalsContact C-N 3.29Å; K68-T70 PolarHBondContact O-N 2.97Å; K68-E71 WeakPolarHBondContact O-CB 3.42Å; K68-E71 PolarHBondContact O-N 2.95Å; K68-Y72 HydrophobicContact CG-CD2 4.25Å; K68-Y72 HydrophobicContact CG-CE2 3.88Å; K68-Y72 VanDerWaalsContact O-CD2 3.3Å; K68-Y72 WeakPolarHBondContact O-CD2 3.4Å; K68-Y72 PolarHBondContact O-N 2.84Å |
| 69 | Y | 95.3 | Very high | 93.8 | Very high | 165 Ų | 165 | 107 Ų | 107 | 65% | 0.647 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.5 | -37.6 | 175.6 | 176.4 | -92.4 | 0 | 0 | 0 | 112.7 | V65 L66 L67 E71 Y72 | V65-Y69 WeakPolarHBondContact O-CB 3.43Å; V65-Y69 PolarHBondContact O-N 2.78Å; L66-Y69 WeakPolarHBondContact O-CB 3.39Å; L66-Y69 PolarHBondContact O-N 3.19Å; L67-Y69 VanDerWaalsContact C-N 3.31Å; L67-Y69 PolarHBondContact O-N 3.01Å; Y69-E71 VanDerWaalsContact C-N 3.3Å; Y69-E71 PolarHBondContact O-N 2.89Å; Y69-Y72 PolarHBondContact O-N 3.46Å |
| 70 | T | 94.4 | Very high | 93.8 | Very high | 105 Ų | 105 | 108.4 Ų | 108.4 | 64% | 0.644 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -74.8 | -13.4 | 175.6 | 54.7 | 0 | 0 | 0 | 0 | 115 | L66 L67 K68 | L66-T70 PolarHBondContact O-N 3Å; L66-T70 PolarHBondContact O-OG1 3.13Å; L67-T70 PolarHBondContact O-N 3.03Å; L67-T70 PolarHBondContact O-OG1 3.13Å; K68-T70 VanDerWaalsContact C-N 3.29Å; K68-T70 PolarHBondContact O-N 2.97Å |
| 71 | E | 93.4 | Very high | 93.7 | Very high | 125 Ų | 125 | 111 Ų | 111 | 58% | 0.584 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -84.4 | -21.1 | 174.6 | -67.5 | 167.6 | 174.3 | 0 | 0 | 112.6 | L67 K68 Y69 | L67-E71 WeakPolarHBondContact O-CG 3.2Å; L67-E71 PolarHBondContact O-N 3.22Å; L67-E71 VanDerWaalsContact O-N 3.16Å; K68-E71 WeakPolarHBondContact O-CB 3.42Å; K68-E71 PolarHBondContact O-N 2.95Å; Y69-E71 VanDerWaalsContact C-N 3.3Å; Y69-E71 PolarHBondContact O-N 2.89Å |
| 72 | Y | 88.9 | Confident | 93.7 | Very high | 160 Ų | 160 | 110.6 Ų | 110.6 | 63% | 0.627 | 55% | 0.551 | S | S | * | * | | | trans | -94.6 | 115.9 | 175.8 | -74.3 | -86 | 0 | 0 | 0 | 111.4 | K68 Y69 E74 | K68-Y72 HydrophobicContact CG-CD2 4.25Å; K68-Y72 HydrophobicContact CG-CE2 3.88Å; K68-Y72 VanDerWaalsContact O-CD2 3.3Å; K68-Y72 WeakPolarHBondContact O-CD2 3.4Å; K68-Y72 PolarHBondContact O-N 2.84Å; Y69-Y72 PolarHBondContact O-N 3.46Å; Y72-E74 VanDerWaalsContact C-N 3.33Å; Y72-E74 PolarHBondContact O-N 2.72Å |
| 73 | N | 75.3 | Confident | 93.6 | Very high | 171 Ų | 171 | 112.4 Ų | 112.4 | 91% | 0.914 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -68.3 | -26.8 | -177.7 | -63.8 | -75.9 | 0 | 0 | 0 | 114.3 | | |
| 74 | E | 86.1 | Confident | 93.5 | Very high | 166 Ų | 166 | 110.7 Ų | 110.7 | 78% | 0.776 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -147.1 | 132.4 | -177.5 | -168.1 | 168.8 | -160.9 | 0 | 0 | 111.1 | Y72 | Y72-E74 VanDerWaalsContact C-N 3.33Å; Y72-E74 PolarHBondContact O-N 2.72Å |
| 75 | P | 90.6 | Very high | 93.4 | Very high | 70 Ų | 70 | 109 Ų | 109 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | | | trans | -79.2 | 134.3 | 177.8 | 31.6 | -34.6 | 0 | 0 | 0 | 111.8 | E77 | P75-E77 VanDerWaalsContact C-N 3.26Å; P75-E77 PolarHBondContact O-N 2.72Å |
| 76 | H | 90.6 | Very high | 93.3 | Very high | 201 Ų | 201 | 113.4 Ų | 113.4 | 93% | 0.931 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -59.3 | -33.6 | 179.1 | -179.6 | 63.4 | 0 | 0 | 0 | 113.9 | | |
| 77 | E | 93.8 | Very high | 93.1 | Very high | 124 Ų | 124 | 114 Ų | 114 | 58% | 0.579 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -135.9 | 132.2 | 167.4 | -176.5 | 175.9 | -158.3 | 0 | 0 | 109 | P75 R79 | P75-E77 VanDerWaalsContact C-N 3.26Å; P75-E77 PolarHBondContact O-N 2.72Å; E77-R79 HydrophobicContact CG-CG 4.14Å; E77-R79 IonicContact OE1-CZ 2.61Å; E77-R79 IonicContact OE1-NE 3.61Å; E77-R79 PolarHBondContact OE1-NE 2.71Å; E77-R79 IonicContact OE1-NH2 3.91Å; E77-R79 PolarHBondContact OE1-NH2 2.91Å |
| 78 | S | 93.9 | Very high | 92.9 | Very high | 86 Ų | 86 | 115.1 Ų | 115.1 | 60% | 0.601 | 58% | 0.581 | S | S | * | * | | | trans | -123.1 | 136.6 | 172.1 | -173.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 79 | R | 95.7 | Very high | 92.7 | Very high | 153 Ų | 153 | 118 Ų | 118 | 58% | 0.577 | 59% | 0.59 | S | S | * | * | | | trans | -139.2 | 136.6 | -178 | -65.1 | -64.2 | -177.2 | -167.3 | -5 | 111.6 | E77 | E77-R79 HydrophobicContact CG-CG 4.14Å; E77-R79 IonicContact OE1-CZ 2.61Å; E77-R79 IonicContact OE1-NE 3.61Å; E77-R79 PolarHBondContact OE1-NE 2.71Å; E77-R79 IonicContact OE1-NH2 3.91Å; E77-R79 PolarHBondContact OE1-NH2 2.91Å |
| 80 | T | 97.4 | Very high | 92.5 | Very high | 65 Ų | 65 | 116.4 Ų | 116.4 | 40% | 0.399 | 59% | 0.587 | S | S | . | * | | | trans | -114.9 | 172.2 | 177.8 | 73 | 0 | 0 | 0 | 0 | 110.7 | S82 D83 I84 | T80-S82 PolarHBondContact O-N 2.84Å; T80-S82 WeakPolarHBondContact OG1-CB 3.39Å; T80-S82 PolarHBondContact OG1-N 2.84Å; T80-S82 PolarHBondContact OG1-OG 3.34Å; T80-D83 WeakPolarHBondContact CA-OD2 3.46Å; T80-D83 WeakPolarHBondContact CB-OD2 3.47Å; T80-D83 PolarHBondContact N-OD2 3.5Å; T80-D83 PolarHBondContact O-N 2.71Å; T80-D83 PolarHBondContact OG1-OD2 2.83Å; T80-I84 WeakPolarHBondContact O-CG1 3.47Å; T80-I84 PolarHBondContact O-N 3Å |
| 81 | N | 96.8 | Very high | 92 | Very high | 138 Ų | 138 | 120.1 Ų | 120.1 | 74% | 0.738 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -59.1 | -29.8 | 174.8 | -69.9 | -14.1 | 0 | 0 | 0 | 112.6 | V85 | N81-V85 WeakPolarHBondContact O-CB 3.23Å; N81-V85 VanDerWaalsContact O-CG2 3.26Å; N81-V85 WeakPolarHBondContact O-CG2 3.24Å; N81-V85 PolarHBondContact O-N 3.32Å |
| 82 | S | 96.7 | Very high | 90.6 | Very high | 77 Ų | 77 | 117.1 Ų | 117.1 | 54% | 0.538 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.9 | -52.6 | 176.4 | -12.4 | 0 | 0 | 0 | 0 | 111 | T80 I84 V85 E86 | T80-S82 PolarHBondContact O-N 2.84Å; T80-S82 WeakPolarHBondContact OG1-CB 3.39Å; T80-S82 PolarHBondContact OG1-N 2.84Å; T80-S82 PolarHBondContact OG1-OG 3.34Å; S82-I84 VanDerWaalsContact C-N 3.32Å; S82-I84 PolarHBondContact O-N 3.25Å; S82-V85 PolarHBondContact O-N 3.29Å; S82-E86 WeakPolarHBondContact O-CB 3.17Å; S82-E86 PolarHBondContact O-N 2.91Å |
| 83 | D | 95.8 | Very high | 88.9 | Confident | 52 Ų | 52 | 116.5 Ų | 116.5 | 28% | 0.278 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.9 | -36.9 | -174.8 | -42.8 | -58.3 | 0 | 0 | 0 | 111.2 | T80 E86 T87 | T80-D83 WeakPolarHBondContact CA-OD2 3.46Å; T80-D83 WeakPolarHBondContact CB-OD2 3.47Å; T80-D83 PolarHBondContact N-OD2 3.5Å; T80-D83 PolarHBondContact O-N 2.71Å; T80-D83 PolarHBondContact OG1-OD2 2.83Å; D83-E86 PolarHBondContact O-N 2.92Å; D83-T87 VanDerWaalsContact O-CB 3.31Å; D83-T87 WeakPolarHBondContact O-CB 3.45Å; D83-T87 PolarHBondContact O-N 3.45Å; D83-T87 PolarHBondContact O-OG1 3Å |
| 84 | I | 95.5 | Very high | 87.7 | Confident | 85 Ų | 85 | 112.3 Ų | 112.3 | 44% | 0.436 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.3 | -46.2 | 175.1 | -63.3 | 166.9 | 0 | 0 | 0 | 110.4 | T80 S82 E86 T87 L88 | T80-I84 WeakPolarHBondContact O-CG1 3.47Å; T80-I84 PolarHBondContact O-N 3Å; S82-I84 VanDerWaalsContact C-N 3.32Å; S82-I84 PolarHBondContact O-N 3.25Å; I84-E86 VanDerWaalsContact C-N 3.34Å; I84-T87 PolarHBondContact O-N 3.38Å; I84-L88 HydrophobicContact CG2-CD1 4.09Å; I84-L88 WeakPolarHBondContact O-CB 3.31Å; I84-L88 VanDerWaalsContact O-CG 3.24Å; I84-L88 WeakPolarHBondContact O-CG 3.26Å; I84-L88 PolarHBondContact O-N 3.29Å |
| 85 | V | 95 | Very high | 86.1 | Confident | 75 Ų | 75 | 107.6 Ų | 107.6 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.2 | -40.2 | 176.6 | 167.2 | 0 | 0 | 0 | 0 | 111 | N81 S82 L88 R89 | N81-V85 WeakPolarHBondContact O-CB 3.23Å; N81-V85 VanDerWaalsContact O-CG2 3.26Å; N81-V85 WeakPolarHBondContact O-CG2 3.24Å; N81-V85 PolarHBondContact O-N 3.32Å; S82-V85 PolarHBondContact O-N 3.29Å; V85-L88 PolarHBondContact O-N 2.73Å; V85-R89 WeakPolarHBondContact O-CG 3.41Å; V85-R89 PolarHBondContact O-N 3.46Å |
| 86 | E | 94.7 | Very high | 84.2 | Confident | 112 Ų | 112 | 110.3 Ų | 110.3 | 52% | 0.523 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64 | -47.9 | 175.9 | -171.3 | 166.7 | 140.1 | 0 | 0 | 112.5 | S82 D83 I84 L88 R89 K90 | S82-E86 WeakPolarHBondContact O-CB 3.17Å; S82-E86 PolarHBondContact O-N 2.91Å; D83-E86 PolarHBondContact O-N 2.92Å; I84-E86 VanDerWaalsContact C-N 3.34Å; E86-L88 PolarHBondContact O-N 2.89Å; E86-R89 PolarHBondContact O-N 3.25Å; E86-R89 IonicContact OE2-NH2 2.72Å; E86-K90 WeakPolarHBondContact O-CB 3.5Å; E86-K90 PolarHBondContact O-N 3.03Å |
| 87 | T | 93.9 | Very high | 82 | Confident | 81 Ų | 81 | 107 Ų | 107 | 50% | 0.497 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -57 | -40.2 | 176.1 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | D83 I84 K91 | D83-T87 VanDerWaalsContact O-CB 3.31Å; D83-T87 WeakPolarHBondContact O-CB 3.45Å; D83-T87 PolarHBondContact O-N 3.45Å; D83-T87 PolarHBondContact O-OG1 3Å; I84-T87 PolarHBondContact O-N 3.38Å; T87-K91 VanDerWaalsContact O-CB 3.23Å; T87-K91 WeakPolarHBondContact O-CB 3.47Å; T87-K91 PolarHBondContact O-N 3.21Å |
| 88 | L | 92.1 | Very high | 79.6 | Confident | 125 Ų | 125 | 105.5 Ų | 105.5 | 65% | 0.654 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.8 | -34.6 | 175.8 | -71.3 | 169.9 | 0 | 0 | 0 | 113.3 | I84 V85 E86 G92 | I84-L88 HydrophobicContact CG2-CD1 4.09Å; I84-L88 WeakPolarHBondContact O-CB 3.31Å; I84-L88 VanDerWaalsContact O-CG 3.24Å; I84-L88 WeakPolarHBondContact O-CG 3.26Å; I84-L88 PolarHBondContact O-N 3.29Å; V85-L88 PolarHBondContact O-N 2.73Å; E86-L88 PolarHBondContact O-N 2.89Å; L88-G92 PolarHBondContact O-N 2.83Å |
| 89 | R | 91.8 | Very high | 77.5 | Confident | 142 Ų | 142 | 107.1 Ų | 107.1 | 54% | 0.536 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.6 | -49 | 172.8 | -69.4 | 178.2 | -54 | -158.1 | 3.7 | 111.2 | V85 E86 K91 G92 L93 | V85-R89 WeakPolarHBondContact O-CG 3.41Å; V85-R89 PolarHBondContact O-N 3.46Å; E86-R89 PolarHBondContact O-N 3.25Å; E86-R89 IonicContact OE2-NH2 2.72Å; R89-K91 PolarHBondContact O-N 3.49Å; R89-G92 CarbonylContact O-C 3.54Å; R89-G92 WeakPolarHBondContact O-CA 3.33Å; R89-G92 PolarHBondContact O-N 3.41Å; R89-L93 PolarHBondContact O-N 3.2Å |
| 90 | K | 90.3 | Very high | 74.8 | Confident | 132 Ų | 132 | 106.7 Ų | 106.7 | 57% | 0.574 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -58.9 | -46 | 179 | -170.7 | 172.9 | -178 | 173.9 | 0 | 110.9 | E86 G92 L93 N94 | E86-K90 WeakPolarHBondContact O-CB 3.5Å; E86-K90 PolarHBondContact O-N 3.03Å; K90-G92 PolarHBondContact O-N 3.25Å; K90-G92 VanDerWaalsContact O-N 3.16Å; K90-L93 PolarHBondContact O-N 3.26Å; K90-N94 WeakPolarHBondContact CG-OD1 3.39Å; K90-N94 PolarHBondContact O-N 2.81Å; K90-N94 PolarHBondContact O-OD1 3.34Å |
| 91 | K | 83.1 | Confident | 72.8 | Confident | 182 Ų | 182 | 108.9 Ų | 108.9 | 79% | 0.791 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -7.7 | 175.4 | -161.4 | 157.4 | -172.9 | 163.9 | 0 | 114.4 | T87 R89 | T87-K91 VanDerWaalsContact O-CB 3.23Å; T87-K91 WeakPolarHBondContact O-CB 3.47Å; T87-K91 PolarHBondContact O-N 3.21Å; R89-K91 PolarHBondContact O-N 3.49Å |
| 92 | G | 63.9 | Low | 70.5 | Confident | 63 Ų | 63 | 109.2 Ų | 109.2 | 65% | 0.649 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -2.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L88 R89 K90 | L88-G92 PolarHBondContact O-N 2.83Å; R89-G92 CarbonylContact O-C 3.54Å; R89-G92 WeakPolarHBondContact O-CA 3.33Å; R89-G92 PolarHBondContact O-N 3.41Å; K90-G92 PolarHBondContact O-N 3.25Å; K90-G92 VanDerWaalsContact O-N 3.16Å |
| 93 | L | 53.6 | Low | 68.1 | Low | 146 Ų | 146 | 110.6 Ų | 110.6 | 76% | 0.764 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | -34.9 | 179.4 | -72.9 | 166.6 | 0 | 0 | 0 | 112.5 | R89 K90 G95 | R89-L93 PolarHBondContact O-N 3.2Å; K90-L93 PolarHBondContact O-N 3.26Å; L93-G95 PolarHBondContact O-N 3.22Å |
| 94 | N | 50 | Low | 65.7 | Low | 83 Ų | 83 | 115.9 Ų | 115.9 | 44% | 0.444 | 67% | 0.668 | S | S | . | * | | | trans | -77.5 | 48.2 | 175.4 | -72.4 | 83.4 | 0 | 0 | 0 | 112.8 | K90 | K90-N94 WeakPolarHBondContact CG-OD1 3.39Å; K90-N94 PolarHBondContact O-N 2.81Å; K90-N94 PolarHBondContact O-OD1 3.34Å |
| 95 | G | 53.4 | Low | 63.2 | Low | 68 Ų | 68 | 118.3 Ų | 118.3 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -84.9 | 109.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | L93 | L93-G95 PolarHBondContact O-N 3.22Š|
| 96 | C | 50.9 | Low | 60.8 | Low | 126 Ų | 126 | 119 Ų | 119 | 85% | 0.851 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 65.7 | 90.3 | -161.6 | -168.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 97 | D | 42.9 | Very low | 58.8 | Low | 133 Ų | 133 | 121 Ų | 121 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | | | trans | -136.7 | 110 | 134.4 | -170.7 | 26 | 0 | 0 | 0 | 106 | | |
| 98 | S | 44.9 | Very low | 56.1 | Low | 92 Ų | 92 | 120.5 Ų | 120.5 | 64% | 0.643 | 72% | 0.72 | S | S | * | * | | | trans | -102.5 | 124.8 | -177.8 | -172.8 | 0 | 0 | 0 | 0 | 107.6 | D100 | S98-D100 PolarHBondContact O-N 2.62Š|
| 99 | P | 49.5 | Very low | 54 | Low | 120 Ų | 120 | 124.4 Ų | 124.4 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | | | trans | -70.2 | 97.2 | 175.8 | 29.2 | -32.7 | 0 | 0 | 0 | 109 | P101 | P99-P101 WeakPolarHBondContact O-CD 3.05Š|
| 100 | D | 39.1 | Very low | 51.4 | Low | 143 Ų | 143 | 121.9 Ų | 121.9 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | | | trans | -77.6 | 115.7 | 168.6 | -160.4 | 8.3 | 0 | 0 | 0 | 108.1 | S98 D102 | S98-D100 PolarHBondContact O-N 2.62Å; D100-D102 VanDerWaalsContact C-N 3.35Å; D100-D102 PolarHBondContact O-N 3.17Å |
| 101 | P | 54.4 | Low | 49.6 | Very low | 111 Ų | 111 | 120.2 Ų | 120.2 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | | | trans | -93.2 | 29.6 | -161.3 | 38.1 | -37.5 | 0 | 0 | 0 | 114.5 | P99 | P99-P101 WeakPolarHBondContact O-CD 3.05Š|
| 102 | D | 49.3 | Very low | 47.7 | Very low | 146 Ų | 146 | 119.1 Ų | 119.1 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | | | trans | -131.6 | 75.5 | -174.2 | -85 | -56.1 | 0 | 0 | 0 | 113.3 | D100 | D100-D102 VanDerWaalsContact C-N 3.35Å; D100-D102 PolarHBondContact O-N 3.17Å |
| 103 | A | 46.5 | Very low | 47.1 | Very low | 105 Ų | 105 | 120 Ų | 120 | 87% | 0.868 | 74% | 0.735 | S | S | * | * | | | trans | -163.3 | 94.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 104 | D | 45.6 | Very low | 46.9 | Very low | 164 Ų | 164 | 118.3 Ų | 118.3 | 88% | 0.877 | 72% | 0.723 | S | S | * | * | | | trans | -90.2 | 159.2 | 159 | -171.2 | 21.1 | 0 | 0 | 0 | 110.2 | | |
| 105 | D | 42.4 | Very low | 47.2 | Very low | 136 Ų | 136 | 119.6 Ų | 119.6 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | | | trans | 90.3 | 137.6 | 165.4 | -150.9 | 11.8 | 0 | 0 | 0 | 120.9 | | |
| 106 | S | 45.1 | Very low | 47.2 | Very low | 90 Ų | 90 | 123.9 Ų | 123.9 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | | | trans | 49.6 | 105.6 | 152.9 | -74.1 | 0 | 0 | 0 | 0 | 122.6 | G108 | S106-G108 PolarHBondContact O-N 2.8Š|
| 107 | V | 52.2 | Low | 47.4 | Very low | 154 Ų | 154 | 126.3 Ų | 126.3 | 93% | 0.933 | 72% | 0.722 | S | S | * | * | | | | 20.4 | 100 | 121 | -173.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 108 | G | 36.5 | Very low | 48.3 | Very low | 69 Ų | 69 | 126.3 Ų | 126.3 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | | | trans | 177.4 | 116 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | S106 S110 | S106-G108 PolarHBondContact O-N 2.8Å; G108-S110 PolarHBondContact O-N 3.3Å |
| 109 | H | 48 | Very low | 49.1 | Very low | 207 Ų | 207 | 129.5 Ų | 129.5 | 96% | 0.958 | 71% | 0.714 | S | S | * | * | | | trans | -75.1 | 107.6 | 159.5 | -82.9 | -67.9 | 0 | 0 | 0 | 108.6 | | |
| 110 | S | 37.8 | Very low | 50 | Low | 90 Ų | 90 | 128.6 Ų | 128.6 | 63% | 0.629 | 70% | 0.702 | S | S | * | * | | | trans | -90.5 | 136.5 | 177.7 | -169.3 | 0 | 0 | 0 | 0 | 111.8 | G108 E112 | G108-S110 PolarHBondContact O-N 3.3Å; S110-E112 PolarHBondContact O-N 2.61Å |
| 111 | P | 51.7 | Low | 51.5 | Low | 96 Ų | 96 | 126.4 Ų | 126.4 | 62% | 0.623 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 5.2 | -163.1 | 33.2 | -37.5 | 0 | 0 | 0 | 117.1 | S113 E114 | P111-S113 VanDerWaalsContact C-N 3.26Å; P111-S113 PolarHBondContact O-N 3Å; P111-E114 PolarHBondContact O-N 2.91Å |
| 112 | E | 43.8 | Very low | 52.4 | Low | 160 Ų | 160 | 127 Ų | 127 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -70.8 | -10.5 | -172.2 | -68.8 | -168.1 | 102.2 | 0 | 0 | 116.1 | S110 | S110-E112 PolarHBondContact O-N 2.61Å |
| 113 | S | 50.8 | Low | 53.5 | Low | 81 Ų | 81 | 124.7 Ų | 124.7 | 57% | 0.566 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -77 | -30.1 | 175.8 | 59.5 | 0 | 0 | 0 | 0 | 112.7 | P111 Y117 | P111-S113 VanDerWaalsContact C-N 3.26Å; P111-S113 PolarHBondContact O-N 3Å; S113-Y117 WeakPolarHBondContact O-CD2 3.35Å |
| 114 | E | 50 | Low | 54.8 | Low | 111 Ų | 111 | 123.7 Ų | 123.7 | 52% | 0.519 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -74.7 | -39.8 | -169.7 | -156.3 | -177.1 | 121.3 | 0 | 0 | 112.4 | P111 K116 Y117 R118 | P111-E114 PolarHBondContact O-N 2.91Å; E114-K116 VanDerWaalsContact C-N 3.25Å; E114-K116 PolarHBondContact O-N 3.29Å; E114-Y117 PolarHBondContact O-N 2.95Å; E114-Y117 VanDerWaalsContact O-N 3.11Å; E114-R118 WeakPolarHBondContact O-CB 3.46Å; E114-R118 PolarHBondContact O-N 3.32Å; E114-R118 IonicContact OE1-CZ 3.58Å; E114-R118 IonicContact OE1-NE 3.29Å; E114-R118 IonicContact OE1-NH2 3.95Å; E114-R118 PolarHBondContact OE1-NH2 2.84Å |
| 115 | D | 57.5 | Low | 56.2 | Low | 109 Ų | 109 | 119.8 Ų | 119.8 | 58% | 0.583 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -60.9 | -32.9 | 177.8 | -75.2 | -40.8 | 0 | 0 | 0 | 112.8 | K119 | D115-K119 WeakPolarHBondContact O-CB 3.39Å; D115-K119 PolarHBondContact O-N 3.16Å |
| 116 | K | 53.3 | Low | 57.7 | Low | 159 Ų | 159 | 117.9 Ų | 117.9 | 69% | 0.691 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.1 | -43.1 | 174.4 | -88.2 | 175.7 | 176.4 | 165.4 | 0 | 112 | E114 I120 | E114-K116 VanDerWaalsContact C-N 3.25Å; E114-K116 PolarHBondContact O-N 3.29Å; K116-I120 WeakPolarHBondContact O-CD1 3.35Å; K116-I120 VanDerWaalsContact O-CG1 3.27Å; K116-I120 WeakPolarHBondContact O-CG1 3.2Å; K116-I120 PolarHBondContact O-N 3.04Å |
| 117 | Y | 54.5 | Low | 59 | Low | 176 Ų | 176 | 118.6 Ų | 118.6 | 69% | 0.69 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.8 | -41.9 | 177.1 | -76.4 | -75.2 | 0 | 0 | 0 | 112.2 | S113 E114 K119 I120 N121 | S113-Y117 WeakPolarHBondContact O-CD2 3.35Å; E114-Y117 PolarHBondContact O-N 2.95Å; E114-Y117 VanDerWaalsContact O-N 3.11Å; Y117-K119 VanDerWaalsContact C-N 3.33Å; Y117-K119 PolarHBondContact O-N 3.15Å; Y117-I120 PolarHBondContact O-N 2.81Å; Y117-N121 PolarHBondContact O-N 2.96Å |
| 118 | R | 61.1 | Low | 60 | Low | 133 Ų | 133 | 115.2 Ų | 115.2 | 50% | 0.502 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -56.1 | -47.3 | 176.9 | -169.6 | 179.2 | -66.2 | -140.5 | 3.9 | 111.5 | E114 I120 N121 E122 | E114-R118 WeakPolarHBondContact O-CB 3.46Å; E114-R118 PolarHBondContact O-N 3.32Å; E114-R118 IonicContact OE1-CZ 3.58Å; E114-R118 IonicContact OE1-NE 3.29Å; E114-R118 IonicContact OE1-NH2 3.95Å; E114-R118 PolarHBondContact OE1-NH2 2.84Å; R118-I120 PolarHBondContact O-N 3.44Å; R118-N121 PolarHBondContact O-N 3.31Å; R118-N121 VanDerWaalsContact O-N 3.17Å; R118-E122 PolarHBondContact O-N 3.19Å |
| 119 | K | 62.8 | Low | 61.5 | Low | 159 Ų | 159 | 115.2 Ų | 115.2 | 69% | 0.691 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.5 | -28.4 | 179.3 | -165.8 | 167.1 | -172.4 | 170.8 | 0 | 114.2 | D115 Y117 D123 | D115-K119 WeakPolarHBondContact O-CB 3.39Å; D115-K119 PolarHBondContact O-N 3.16Å; Y117-K119 VanDerWaalsContact C-N 3.33Å; Y117-K119 PolarHBondContact O-N 3.15Å; K119-D123 PolarHBondContact O-N 2.98Å |
| 120 | I | 68.4 | Low | 62.3 | Low | 101 Ų | 101 | 114.3 Ų | 114.3 | 52% | 0.518 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.8 | -40.7 | 170.8 | -69.5 | 164.4 | 0 | 0 | 0 | 110.5 | K116 Y117 R118 D123 I124 | K116-I120 WeakPolarHBondContact O-CD1 3.35Å; K116-I120 VanDerWaalsContact O-CG1 3.27Å; K116-I120 WeakPolarHBondContact O-CG1 3.2Å; K116-I120 PolarHBondContact O-N 3.04Å; Y117-I120 PolarHBondContact O-N 2.81Å; R118-I120 PolarHBondContact O-N 3.44Å; I120-D123 PolarHBondContact O-N 3.37Å; I120-I124 HydrophobicContact CG2-CD1 3.98Å; I120-I124 WeakPolarHBondContact O-CG1 3.37Å; I120-I124 PolarHBondContact O-N 3.4Å |
| 121 | N | 70.1 | Confident | 63.2 | Low | 98 Ų | 98 | 116.9 Ų | 116.9 | 52% | 0.524 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.5 | -41.5 | -178.7 | -145 | 102 | 0 | 0 | 0 | 112 | Y117 R118 D123 I124 D125 | Y117-N121 PolarHBondContact O-N 2.96Å; R118-N121 PolarHBondContact O-N 3.31Å; R118-N121 VanDerWaalsContact O-N 3.17Å; N121-D123 PolarHBondContact O-N 3.32Å; N121-I124 PolarHBondContact O-N 3.01Å; N121-D125 PolarHBondContact ND2-OD2 3.17Å; N121-D125 PolarHBondContact O-N 3.33Å |
| 122 | E | 73.6 | Confident | 63.5 | Low | 124 Ų | 124 | 122.4 Ų | 122.4 | 58% | 0.579 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.6 | -40.2 | 174.7 | -73.2 | 174.9 | -165.1 | 0 | 0 | 112.6 | R118 D125 L126 | R118-E122 PolarHBondContact O-N 3.19Å; E122-D125 PolarHBondContact O-N 3.01Å; E122-L126 VanDerWaalsContact O-CB 3.27Å; E122-L126 WeakPolarHBondContact O-CB 3.38Å; E122-L126 PolarHBondContact O-N 3.27Å |
| 123 | D | 71.1 | Confident | 63.9 | Low | 96 Ų | 96 | 121.9 Ų | 121.9 | 51% | 0.513 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.9 | -34.1 | 179.7 | -158.2 | 45.3 | 0 | 0 | 0 | 112 | K119 I120 N121 M127 | K119-D123 PolarHBondContact O-N 2.98Å; I120-D123 PolarHBondContact O-N 3.37Å; N121-D123 PolarHBondContact O-N 3.32Å; D123-M127 VanDerWaalsContact O-CB 3.31Å; D123-M127 WeakPolarHBondContact O-CB 3.27Å; D123-M127 PolarHBondContact O-N 3.43Å |
| 124 | I | 75.5 | Confident | 63.7 | Low | 84 Ų | 84 | 123.1 Ų | 123.1 | 43% | 0.431 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.3 | -49.6 | 171.6 | -69 | 167.1 | 0 | 0 | 0 | 110.9 | I120 N121 L126 M127 I128 | I120-I124 HydrophobicContact CG2-CD1 3.98Å; I120-I124 WeakPolarHBondContact O-CG1 3.37Å; I120-I124 PolarHBondContact O-N 3.4Å; N121-I124 PolarHBondContact O-N 3.01Å; I124-L126 VanDerWaalsContact C-N 3.31Å; I124-L126 PolarHBondContact O-N 2.66Å; I124-M127 WeakPolarHBondContact O-CB 3.41Å; I124-M127 PolarHBondContact O-N 3.18Å; I124-I128 HydrophobicContact CG2-CD1 3.85Å; I124-I128 WeakPolarHBondContact O-CG1 3.36Å; I124-I128 PolarHBondContact O-N 3.34Å |
| 125 | D | 73.6 | Confident | 63.4 | Low | 83 Ų | 83 | 122.6 Ų | 122.6 | 44% | 0.444 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.6 | -34 | 179.2 | -77.6 | -40.5 | 0 | 0 | 0 | 112.3 | N121 E122 S129 | N121-D125 PolarHBondContact ND2-OD2 3.17Å; N121-D125 PolarHBondContact O-N 3.33Å; E122-D125 PolarHBondContact O-N 3.01Å; D125-S129 VanDerWaalsContact O-CB 3.25Å; D125-S129 WeakPolarHBondContact O-CB 3.31Å; D125-S129 PolarHBondContact O-N 3.11Å; D125-S129 PolarHBondContact O-OG 2.86Å |
| 126 | L | 73.8 | Confident | 62.9 | Low | 96 Ų | 96 | 123.4 Ų | 123.4 | 50% | 0.503 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.7 | -37.4 | 173.5 | -169.4 | 66.8 | 0 | 0 | 0 | 111.9 | E122 I124 S129 R130 | E122-L126 VanDerWaalsContact O-CB 3.27Å; E122-L126 WeakPolarHBondContact O-CB 3.38Å; E122-L126 PolarHBondContact O-N 3.27Å; I124-L126 VanDerWaalsContact C-N 3.31Å; I124-L126 PolarHBondContact O-N 2.66Å; L126-S129 PolarHBondContact O-N 2.98Å; L126-R130 WeakPolarHBondContact O-CG 3.48Å; L126-R130 PolarHBondContact O-N 3.41Å |
| 127 | M | 72.4 | Confident | 62.5 | Low | 104 Ų | 104 | 121 Ų | 121 | 51% | 0.512 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.2 | -42.9 | 175.8 | -162.3 | -177.9 | -53.2 | 0 | 0 | 111.8 | D123 I124 R130 Q131 | D123-M127 VanDerWaalsContact O-CB 3.31Å; D123-M127 WeakPolarHBondContact O-CB 3.27Å; D123-M127 PolarHBondContact O-N 3.43Å; I124-M127 WeakPolarHBondContact O-CB 3.41Å; I124-M127 PolarHBondContact O-N 3.18Å; M127-R130 PolarHBondContact O-N 3.4Å; M127-Q131 WeakPolarHBondContact O-CG 3.27Å; M127-Q131 PolarHBondContact O-N 3.17Å; M127-Q131 VanDerWaalsContact O-N 3.16Å |
| 128 | I | 73.9 | Confident | 62.3 | Low | 84 Ų | 84 | 118 Ų | 118 | 43% | 0.431 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.8 | -43.6 | 173.5 | -68.5 | 167.1 | 0 | 0 | 0 | 110.7 | I124 R130 Q131 R132 | I124-I128 HydrophobicContact CG2-CD1 3.85Å; I124-I128 WeakPolarHBondContact O-CG1 3.36Å; I124-I128 PolarHBondContact O-N 3.34Å; I128-R130 PolarHBondContact O-N 3.46Å; I128-Q131 PolarHBondContact O-N 3.3Å; I128-R132 PolarHBondContact O-N 3.48Å |
| 129 | S | 68.4 | Low | 61.4 | Low | 69 Ų | 69 | 117.4 Ų | 117.4 | 48% | 0.483 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.2 | -39.2 | 178.5 | -63 | 0 | 0 | 0 | 0 | 112.5 | D125 L126 R132 | D125-S129 VanDerWaalsContact O-CB 3.25Å; D125-S129 WeakPolarHBondContact O-CB 3.31Å; D125-S129 PolarHBondContact O-N 3.11Å; D125-S129 PolarHBondContact O-OG 2.86Å; L126-S129 PolarHBondContact O-N 2.98Å; S129-R132 PolarHBondContact O-N 3Å |
| 130 | R | 64.3 | Low | 60.5 | Low | 187 Ų | 187 | 117.1 Ų | 117.1 | 71% | 0.706 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.6 | -39.7 | 173.3 | -78.9 | 176.1 | 171.8 | -91.8 | 1.4 | 112.6 | L126 M127 I128 R132 L133 | L126-R130 WeakPolarHBondContact O-CG 3.48Å; L126-R130 PolarHBondContact O-N 3.41Å; M127-R130 PolarHBondContact O-N 3.4Å; I128-R130 PolarHBondContact O-N 3.46Å; R130-R132 VanDerWaalsContact C-N 3.28Å; R130-R132 PolarHBondContact O-N 3.04Å; R130-L133 PolarHBondContact O-N 3.04Å |
| 131 | Q | 57.1 | Low | 59 | Low | 145 Ų | 145 | 122.5 Ų | 122.5 | 68% | 0.678 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.8 | -26.7 | 178 | -69.7 | 177.5 | 17.5 | 0 | 0 | 113 | M127 I128 L133 | M127-Q131 WeakPolarHBondContact O-CG 3.27Å; M127-Q131 PolarHBondContact O-N 3.17Å; M127-Q131 VanDerWaalsContact O-N 3.16Å; I128-Q131 PolarHBondContact O-N 3.3Å; Q131-L133 VanDerWaalsContact C-N 3.29Å; Q131-L133 PolarHBondContact O-N 3.19Å |
| 132 | R | 57.3 | Low | 57.4 | Low | 211 Ų | 211 | 126.2 Ų | 126.2 | 80% | 0.796 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -9.9 | 179.2 | -77.8 | -72.6 | -176.2 | 160.4 | 0.2 | 115.4 | I128 S129 R130 | I128-R132 PolarHBondContact O-N 3.48Å; S129-R132 PolarHBondContact O-N 3Å; R130-R132 VanDerWaalsContact C-N 3.28Å; R130-R132 PolarHBondContact O-N 3.04Å |
| 133 | L | 52.1 | Low | 55.7 | Low | 150 Ų | 150 | 128.7 Ų | 128.7 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -2.9 | -174.8 | -74 | 168.3 | 0 | 0 | 0 | 115.4 | R130 Q131 | R130-L133 PolarHBondContact O-N 3.04Å; Q131-L133 VanDerWaalsContact C-N 3.29Å; Q131-L133 PolarHBondContact O-N 3.19Å |
| 134 | C | 47.6 | Very low | 54.6 | Low | 107 Ų | 107 | 128.6 Ų | 128.6 | 72% | 0.723 | 68% | 0.683 | S | S | * | * | | | trans | -112.6 | 60.1 | 177.3 | -69.6 | 0 | 0 | 0 | 0 | 112.7 | V136 | C134-V136 PolarHBondContact O-N 2.94Š|
| 135 | A | 43.6 | Very low | 53 | Low | 100 Ų | 100 | 131 Ų | 131 | 83% | 0.826 | 70% | 0.702 | S | S | * | * | | | trans | -74.9 | 84.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 136 | V | 45.9 | Very low | 51.4 | Low | 125 Ų | 125 | 133.1 Ų | 133.1 | 76% | 0.758 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 133.3 | 166.2 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | C134 | C134-V136 PolarHBondContact O-N 2.94Š|
| 137 | P | 46 | Very low | 50 | Low | 109 Ų | 109 | 135.3 Ų | 135.3 | 71% | 0.708 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 138.3 | -178.7 | 28 | -34.9 | 0 | 0 | 0 | 111.8 | | |
| 138 | P | 48.9 | Very low | 48.4 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 142.7 | 175.4 | 30.6 | -34.2 | 0 | 0 | 0 | 111.2 | | |
| 139 | P | 43.8 | Very low | 46.6 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 136.7 | 173 | 30.5 | -33.5 | 0 | 0 | 0 | 111.1 | F141 | P139-F141 PolarHBondContact O-N 3.42Š|
| 140 | N | 44.1 | Very low | 44.9 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 121.2 | 169.6 | -65.3 | -76.5 | 0 | 0 | 0 | 110 | | |
| 141 | F | 36.1 | Very low | 43.5 | Very low | 213 Ų | 213 | 135.4 Ų | 135.4 | 93% | 0.934 | 77% | 0.767 | S | S | * | * | | | trans | -145.3 | 134.2 | 148.3 | -90.4 | -67.9 | 0 | 0 | 0 | 110.6 | P139 | P139-F141 PolarHBondContact O-N 3.42Š|
| 142 | E | 37 | Very low | 42.3 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | | | trans | -117.1 | 137.1 | -172.4 | 171.8 | -176.1 | -146.3 | 0 | 0 | 108.9 | | |
| 143 | M | 36.7 | Very low | 41 | Very low | 176 Ų | 176 | 135.1 Ų | 135.1 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | | | trans | -147 | 145.4 | 158.1 | -86 | -57.3 | -84.5 | 0 | 0 | 109.9 | | |
| 144 | P | 48.8 | Very low | 40.1 | Very low | 93 Ų | 93 | 132.3 Ų | 132.3 | 60% | 0.604 | 77% | 0.773 | S | S | * | * | | | trans | -95.1 | 158.2 | -158.1 | 36.3 | -37.6 | 0 | 0 | 0 | 115.5 | | |
| 145 | V | 42.2 | Very low | 39.6 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -112.3 | 115.7 | 161.1 | 176.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 146 | T | 40 | Very low | 39 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | trans | -95.5 | 121.1 | -175.8 | -48.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 147 | I | 43.5 | Very low | 38.3 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | | | trans | -124.3 | 126.5 | 168.7 | -57.8 | 178.3 | 0 | 0 | 0 | 108.1 | | |
| 148 | P | 39.8 | Very low | 37.5 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | | | trans | -76.4 | 150.4 | -177.9 | 29.8 | -34 | 0 | 0 | 0 | 113.8 | | |
| 149 | V | 35.2 | Very low | 36.6 | Very low | 128 Ų | 128 | 142 Ų | 142 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -93.1 | 142.9 | -165.7 | 162.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 150 | S | 33.8 | Very low | 37 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | -165.5 | 119 | 134.2 | 31.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 151 | S | 33.2 | Very low | 36.3 | Very low | 85 Ų | 85 | 140.2 Ų | 140.2 | 59% | 0.594 | 78% | 0.778 | S | S | * | * | | | | 69.2 | 129.6 | 55.1 | 77.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 152 | H | 33.4 | Very low | 36 | Very low | 183 Ų | 183 | 135.2 Ų | 135.2 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | | | cis | -152.8 | 151 | -13.9 | -78.2 | -59 | 0 | 0 | 0 | 108.7 | | |
| 153 | N | 30.3 | Very low | 35.8 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | | | | -165.8 | 166.5 | 125 | -133.8 | -5.1 | 0 | 0 | 0 | 112.4 | | |
| 154 | S | 32.6 | Very low | 35.7 | Very low | 91 Ų | 91 | 131.8 Ų | 131.8 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | | | trans | -126.6 | 156.5 | -177 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 155 | L | 36.6 | Very low | 34.9 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | | | | 166.6 | 143.7 | 123.7 | -88.2 | 164.5 | 0 | 0 | 0 | 114.3 | | |
| 156 | V | 31.5 | Very low | 34.6 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | 60.5 | 98.7 | 151.6 | -176.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 157 | Y | 29.9 | Very low | 35 | Very low | 216 Ų | 216 | 131.2 Ų | 131.2 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | | | | 36.3 | 116.3 | 114 | -119.8 | -97.1 | 0 | 0 | 0 | 120.2 | | |
| 158 | S | 30.7 | Very low | 34.5 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | | 153.9 | 135.7 | 121.6 | -67.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 159 | N | 30.3 | Very low | 34.3 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | | | trans | -87.9 | 178.2 | 160 | -65.9 | -30.8 | 0 | 0 | 0 | 109.3 | | |
| 160 | P | 51 | Low | 34.7 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | | | cis | -134.5 | -174.1 | -2.7 | 36 | -15.3 | 0 | 0 | 0 | 115.3 | | |
| 161 | V | 28.8 | Very low | 35.2 | Very low | 127 Ų | 127 | 136 Ų | 136 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | trans | 89.9 | 137.1 | 137.4 | 107 | 0 | 0 | 0 | 0 | 121.7 | | |
| 162 | S | 29.7 | Very low | 35.2 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | trans | 69.3 | 140.8 | 150.6 | -66.1 | 0 | 0 | 0 | 0 | 124 | | |
| 163 | S | 33.4 | Very low | 35.1 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | 95.8 | 103.2 | 143.9 | -157.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 164 | L | 34.5 | Very low | 35.6 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | | | | 19 | 117.7 | 124.5 | -66.1 | 147 | 0 | 0 | 0 | 117.4 | | |
| 165 | G | 33.3 | Very low | 36.3 | Very low | 81 Ų | 81 | 138 Ų | 138 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | -175.8 | 70.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 166 | N | 35.4 | Very low | 36.2 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | -73.2 | 159.4 | 152.6 | -114 | -19.2 | 0 | 0 | 0 | 108.4 | | |
| 167 | P | 47.8 | Very low | 36.5 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | | | cis | -138.9 | -178 | 29.9 | 42.4 | -24.6 | 0 | 0 | 0 | 116.6 | | |
| 168 | N | 33.5 | Very low | 36.8 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | | | trans | -58.8 | 141 | 164.7 | -53.5 | -75.4 | 0 | 0 | 0 | 112.8 | | |
| 169 | L | 35.6 | Very low | 36.8 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | | | trans | -144.4 | 134.1 | 141 | -79.1 | -174.9 | 0 | 0 | 0 | 110.5 | | |
| 170 | L | 43.1 | Very low | 36.9 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | -90.1 | 158.8 | 164.4 | -61.2 | 168.6 | 0 | 0 | 0 | 108.3 | | |
| 171 | P | 43.8 | Very low | 36 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | | | | -150.4 | 134.6 | 92.2 | 35.8 | -17 | 0 | 0 | 0 | 117.3 | | |
| 172 | L | 34.1 | Very low | 36.1 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | | | | 37.1 | 113.6 | 121.5 | -155.1 | 81.3 | 0 | 0 | 0 | 121 | | |
| 173 | A | 30.6 | Very low | 36.5 | Very low | 93 Ų | 93 | 141.5 Ų | 141.5 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -164.9 | 142.9 | 143.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 174 | H | 41.8 | Very low | 37.3 | Very low | 188 Ų | 188 | 143 Ų | 143 | 87% | 0.87 | 82% | 0.815 | S | S | * | * | | | trans | -132.6 | 138 | 169 | -83.8 | -67.7 | 0 | 0 | 0 | 111.6 | | |
| 175 | P | 47.8 | Very low | 37.3 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | | | trans | -133.1 | 165.5 | 132.7 | 10.4 | 12.4 | 0 | 0 | 0 | 111.9 | | |
| 176 | S | 33.1 | Very low | 37.6 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | | | cis | -150.8 | -102.9 | -14.9 | 56.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 177 | L | 37.4 | Very low | 37.6 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | -154.7 | 170.1 | -171.9 | -75.9 | 173.1 | 0 | 0 | 0 | 113.3 | | |
| 178 | Q | 36.6 | Very low | 36.9 | Very low | 156 Ų | 156 | 142 Ų | 142 | 73% | 0.729 | 81% | 0.805 | S | S | * | * | | | trans | 92.9 | 145 | 163.2 | -57.7 | -151.2 | 60.3 | 0 | 0 | 117.8 | | |
| 179 | R | 31.8 | Very low | 37.1 | Very low | 202 Ų | 202 | 146 Ų | 146 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | | | cis | -162.1 | 140.1 | -11.4 | 159.3 | -172.8 | -66.4 | -130.1 | 1.5 | 111.8 | | |
| 180 | N | 32.6 | Very low | 37.6 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | | | trans | 13.9 | 147.8 | 158.5 | -63.1 | 7 | 0 | 0 | 0 | 125.1 | | |
| 181 | S | 31.4 | Very low | 37.6 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | trans | 81.5 | 153.9 | 143.4 | 77 | 0 | 0 | 0 | 0 | 118.2 | | |
| 182 | M | 31.7 | Very low | 37.4 | Very low | 182 Ų | 182 | 141.2 Ų | 141.2 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | | | cis | -135.3 | -179.2 | 15.3 | -73.3 | -176 | 163.5 | 0 | 0 | 114.1 | | |
| 183 | S | 37.5 | Very low | 37.6 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | -138.2 | 153.4 | 169.4 | -51.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 184 | P | 51 | Low | 37.7 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | | -142.1 | 178.3 | 105 | 39.4 | -26.5 | 0 | 0 | 0 | 113 | | |
| 185 | G | 34.1 | Very low | 37.2 | Very low | 64 Ų | 64 | 136.3 Ų | 136.3 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | | | cis | 142.5 | 139.1 | -10.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 186 | V | 38.4 | Very low | 36.7 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | | | trans | 65.2 | 124 | 172.5 | -135.9 | 0 | 0 | 0 | 0 | 115 | | |
| 187 | T | 35.3 | Very low | 36.7 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | | | cis | -134.5 | -166.1 | 40.1 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 188 | H | 33.8 | Very low | 36.3 | Very low | 170 Ų | 170 | 131.6 Ų | 131.6 | 79% | 0.787 | 80% | 0.801 | S | S | * | * | | | cis | -146.6 | -100.2 | 5.5 | -149.6 | -24.3 | 0 | 0 | 0 | 116.1 | | |
| 189 | R | 37.8 | Very low | 36.4 | Very low | 226 Ų | 226 | 131.9 Ų | 131.9 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | trans | -173.1 | 168.7 | -168.3 | -117.1 | -167.1 | 160 | -166.3 | -4.2 | 110.2 | | |
| 190 | P | 46.2 | Very low | 36.7 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 69% | 0.688 | 81% | 0.812 | S | S | * | * | | | cis | -131 | 173.4 | -25.2 | 40.5 | -26.4 | 0 | 0 | 0 | 113.6 | | |
| 191 | P | 42.5 | Very low | 36.7 | Very low | 125 Ų | 125 | 127.9 Ų | 127.9 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | | | trans | -128.8 | 152 | 155.8 | 38.2 | -26.9 | 0 | 0 | 0 | 114.4 | | |
| 192 | S | 40.6 | Very low | 36.8 | Very low | 129 Ų | 129 | 126.4 Ų | 126.4 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | | | trans | -161.5 | 151.5 | 169.7 | -85.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 193 | A | 38.4 | Very low | 36.8 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | | | cis | -145.6 | 174.4 | 1.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 194 | G | 31.1 | Very low | 36.6 | Very low | 74 Ų | 74 | 127.1 Ų | 127.1 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | | | cis | 166.2 | 153.9 | -5.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 195 | N | 31.6 | Very low | 35.7 | Very low | 166 Ų | 166 | 126.2 Ų | 126.2 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | trans | -160.4 | 124.8 | 172.8 | -156.7 | 32.8 | 0 | 0 | 0 | 110.1 | | |
| 196 | T | 37.6 | Very low | 35.6 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | | | trans | -148.5 | 145.9 | 179.4 | 44.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 197 | G | 32.8 | Very low | 35.1 | Very low | 85 Ų | 85 | 126.2 Ų | 126.2 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | | | trans | 147.9 | 85.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 198 | G | 30.2 | Very low | 35 | Very low | 60 Ų | 60 | 125.9 Ų | 125.9 | 62% | 0.619 | 83% | 0.827 | S | S | * | * | | | trans | -172.9 | 147.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 199 | L | 38.4 | Very low | 34.7 | Very low | 162 Ų | 162 | 121.3 Ų | 121.3 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | | | trans | 67.6 | 148.5 | -163.7 | -42.8 | -179.1 | 0 | 0 | 0 | 110.9 | | |
| 200 | M | 38.1 | Very low | 34.5 | Very low | 178 Ų | 178 | 117 Ų | 117 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | | | cis | -118.8 | 175.6 | 27.2 | -34.1 | -56.5 | 150 | 0 | 0 | 112.8 | | |
| 201 | G | 32.6 | Very low | 33.9 | Very low | 82 Ų | 82 | 117.7 Ų | 117.7 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | | | trans | -109 | -177.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 202 | G | 34.2 | Very low | 33.6 | Very low | 77 Ų | 77 | 116.7 Ų | 116.7 | 79% | 0.794 | 84% | 0.835 | S | S | * | * | | | trans | -179.1 | 149.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 203 | D | 30.9 | Very low | 33.1 | Very low | 160 Ų | 160 | 113.8 Ų | 113.8 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | | | trans | -102.9 | -179.7 | -167.5 | -67.8 | -78.8 | 0 | 0 | 0 | 115 | | |
| 204 | L | 34 | Very low | 32.8 | Very low | 152 Ų | 152 | 117.3 Ų | 117.3 | 80% | 0.796 | 83% | 0.829 | S | S | * | * | | | trans | 97.7 | 112.4 | 154.1 | -53.9 | -178.1 | 0 | 0 | 0 | 120.9 | | |
| 205 | T | 31.6 | Very low | 32.7 | Very low | 117 Ų | 117 | 116.4 Ų | 116.4 | 72% | 0.718 | 82% | 0.82 | S | S | * | * | | | | 50.6 | 131 | 130 | 67.3 | 0 | 0 | 0 | 0 | 123.4 | | |
| 206 | S | 31.2 | Very low | 32.8 | Very low | 125 Ų | 125 | 120.3 Ų | 120.3 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | | | trans | 50 | 123.5 | 130.9 | -56.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 207 | G | 27.8 | Very low | 32.6 | Very low | 85 Ų | 85 | 117 Ų | 117 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | | | trans | 164.2 | 131.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 208 | A | 32.6 | Very low | 32.9 | Very low | 114 Ų | 114 | 120.5 Ų | 120.5 | 94% | 0.942 | 82% | 0.817 | S | S | * | * | | | trans | -105.1 | 142.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 209 | G | 27.9 | Very low | 34.3 | Very low | 73 Ų | 73 | 122.2 Ų | 122.2 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | | | trans | -167.2 | 155.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 210 | T | 33.8 | Very low | 34.2 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | | | trans | -138.1 | 172.5 | -166.3 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 211 | S | 32.9 | Very low | 33.9 | Very low | 120 Ų | 120 | 122.6 Ų | 122.6 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | | | trans | 74.2 | 151.1 | 176.4 | 83.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 212 | A | 36.2 | Very low | 33.9 | Very low | 104 Ų | 104 | 123.4 Ų | 123.4 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | cis | -145.9 | 174.6 | -2.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 213 | G | 30.7 | Very low | 35 | Very low | 67 Ų | 67 | 126 Ų | 126 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | | | cis | 170.5 | 163.8 | -2.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 214 | N | 32 | Very low | 35.5 | Very low | 178 Ų | 178 | 121.3 Ų | 121.3 | 95% | 0.952 | 79% | 0.792 | S | S | * | * | | | trans | 63.6 | 149.8 | 179.2 | -64.8 | 1.1 | 0 | 0 | 0 | 117.5 | | |
| 215 | G | 30.5 | Very low | 35.7 | Very low | 55 Ų | 55 | 122 Ų | 122 | 57% | 0.567 | 80% | 0.796 | S | S | * | * | | | cis | 176 | 164.2 | -6.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 216 | Y | 33.8 | Very low | 35.8 | Very low | 249 Ų | 249 | 123.9 Ų | 123.9 | 98% | 0.976 | 80% | 0.801 | S | S | * | * | | | trans | 68 | 141.2 | -175.4 | -49.7 | -78.6 | 0 | 0 | 0 | 116.2 | | |
| 217 | G | 32.6 | Very low | 35.8 | Very low | 76 Ų | 76 | 124.5 Ų | 124.5 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | | | cis | 179.3 | 121.8 | -8.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 218 | N | 39.2 | Very low | 36.2 | Very low | 160 Ų | 160 | 125.5 Ų | 125.5 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | -119.6 | -172.4 | 169.7 | -144.8 | 19.4 | 0 | 0 | 0 | 106.9 | | |
| 219 | P | 58.5 | Low | 36.8 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 62% | 0.617 | 79% | 0.789 | S | S | * | * | | | cis | -151.5 | -159 | 17.6 | 43.3 | -19.4 | 0 | 0 | 0 | 117.2 | | |
| 220 | R | 36.6 | Very low | 37 | Very low | 223 Ų | 223 | 126.4 Ų | 126.4 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | | | trans | 79.9 | 157.8 | 150.9 | -82 | 178.8 | 143.4 | 152.2 | 0.2 | 118.9 | | |
| 221 | N | 31.9 | Very low | 37 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 67% | 0.668 | 79% | 0.785 | S | S | * | * | | | cis | -149 | 172 | 8 | -148.5 | 54.1 | 0 | 0 | 0 | 114.8 | | |
| 222 | S | 33.4 | Very low | 37.4 | Very low | 99 Ų | 99 | 128.9 Ų | 128.9 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | | | trans | -87.3 | -173.8 | 174 | -24.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 223 | P | 57.4 | Low | 37.4 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | | | cis | -153.9 | -150.2 | 47.4 | 45.3 | -21.3 | 0 | 0 | 0 | 116.7 | | |
| 224 | G | 40.7 | Very low | 37.9 | Very low | 62 Ų | 62 | 137.2 Ų | 137.2 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | | | trans | -167.1 | -166.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 225 | L | 38.9 | Very low | 38.1 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | 112.8 | 131.4 | 166.5 | -65.1 | 175.1 | 0 | 0 | 0 | 120.5 | | |
| 226 | L | 32.8 | Very low | 39 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | | | trans | 86.1 | 145.8 | 135.4 | -76.5 | 168.1 | 0 | 0 | 0 | 125.8 | | |
| 227 | V | 31.8 | Very low | 39.2 | Very low | 137 Ų | 137 | 135 Ų | 135 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | | | trans | 86.8 | 135.8 | 155.8 | 167 | 0 | 0 | 0 | 0 | 121.4 | | |
| 228 | S | 36.6 | Very low | 39.4 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | -102 | 166.5 | 177.8 | -34.4 | 0 | 0 | 0 | 0 | 112 | | |
| 229 | P | 45.5 | Very low | 39.4 | Very low | 134 Ų | 134 | 137 Ų | 137 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | | | | -154 | -172.7 | 85.8 | 41.4 | -22.8 | 0 | 0 | 0 | 115.2 | | |
| 230 | G | 30.9 | Very low | 38.4 | Very low | 71 Ų | 71 | 137.6 Ų | 137.6 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | | | trans | 112.1 | 55.1 | 142.1 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 231 | N | 35 | Very low | 39.3 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | | | trans | 40.7 | 116.1 | 134.3 | -168.5 | 20.3 | 0 | 0 | 0 | 120.7 | | |
| 232 | L | 40.6 | Very low | 40.5 | Very low | 165 Ų | 165 | 132.3 Ų | 132.3 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | trans | -159 | 151.5 | 134.5 | -110.4 | 177.1 | 0 | 0 | 0 | 112.5 | | |
| 233 | N | 35.9 | Very low | 41.3 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | | | trans | -74.5 | 136.5 | -172.1 | -74.1 | -71.2 | 0 | 0 | 0 | 114.5 | | |
| 234 | K | 42.4 | Very low | 40.6 | Very low | 209 Ų | 209 | 136.6 Ų | 136.6 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | | | | -167.9 | 149.7 | 104 | -99.7 | 159.7 | -173.7 | 176.7 | 0 | 113.1 | | |
| 235 | N | 35.9 | Very low | 40.4 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 68% | 0.684 | 80% | 0.802 | S | S | * | * | | | trans | -98.2 | 133.6 | -169.9 | 169.8 | 45.8 | 0 | 0 | 0 | 112.1 | | |
| 236 | I | 47.7 | Very low | 40.6 | Very low | 169 Ų | 169 | 141 Ų | 141 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | | | trans | -149.6 | 131.6 | 147.9 | -95.8 | 147.8 | 0 | 0 | 0 | 106.7 | | |
| 237 | Q | 39.3 | Very low | 40.7 | Very low | 138 Ų | 138 | 136 Ų | 136 | 65% | 0.645 | 79% | 0.789 | S | S | * | * | | | trans | -113.4 | 140.7 | 172.9 | -65.2 | -177.5 | 31.9 | 0 | 0 | 109.8 | | |
| 238 | A | 36 | Very low | 41 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | -137.6 | 108.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 239 | K | 39.6 | Very low | 41.3 | Very low | 176 Ų | 176 | 140.1 Ų | 140.1 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 160.9 | 176.9 | -70.2 | 178.9 | 179.2 | 174.6 | 0 | 110.1 | | |
| 240 | S | 37.8 | Very low | 41.2 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 152.3 | 170.1 | 49.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 241 | P | 55.5 | Low | 41.7 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 137.9 | -176 | 29.5 | -35.1 | 0 | 0 | 0 | 112.9 | | |
| 242 | P | 57.6 | Low | 42.4 | Very low | 113 Ų | 113 | 151.4 Ų | 151.4 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86 | 164.4 | 164.5 | 35.9 | -33.6 | 0 | 0 | 0 | 111.8 | | |
| 243 | P | 48.6 | Very low | 42.6 | Very low | 127 Ų | 127 | 149.5 Ų | 149.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 153.6 | 178.7 | 31.2 | -36.2 | 0 | 0 | 0 | 113 | | |
| 244 | M | 44.2 | Very low | 42.6 | Very low | 193 Ų | 193 | 148.2 Ų | 148.2 | 95% | 0.951 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 131.9 | 172 | -66.3 | -169 | -67.2 | 0 | 0 | 111.6 | | |
| 245 | N | 35.9 | Very low | 42.6 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -141.6 | 131.3 | 162.1 | -175 | -35.8 | 0 | 0 | 0 | 107.3 | | |
| 246 | L | 43.7 | Very low | 43.2 | Very low | 170 Ų | 170 | 150 Ų | 150 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | | | trans | -128.4 | 97.9 | -179.4 | -147.1 | 80.1 | 0 | 0 | 0 | 110.2 | | |
| 247 | G | 34.9 | Very low | 43.2 | Very low | 51 Ų | 51 | 148.2 Ų | 148.2 | 53% | 0.526 | 79% | 0.794 | S | S | . | * | | | trans | -68.6 | 164 | 151.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 248 | M | 38.2 | Very low | 43.1 | Very low | 166 Ų | 166 | 149.2 Ų | 149.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | cis | -157.8 | 149.2 | 12.9 | -157.6 | 94.1 | 72.1 | 0 | 0 | 108.7 | | |
| 249 | N | 41.6 | Very low | 43.8 | Very low | 164 Ų | 164 | 150.8 Ų | 150.8 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | -155.3 | 144.2 | 149.5 | -111 | -48 | 0 | 0 | 0 | 112.2 | | |
| 250 | N | 44.3 | Very low | 44.2 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | | | trans | -83.6 | 128.7 | -169.1 | -72.2 | -71.1 | 0 | 0 | 0 | 112.7 | | |
| 251 | R | 42.3 | Very low | 44.9 | Very low | 243 Ų | 243 | 148.3 Ų | 148.3 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | | | | -178.1 | 144.9 | 127.4 | -93.3 | 144.3 | -161.5 | -147.9 | 2.9 | 111.1 | | |
| 252 | K | 47.9 | Very low | 44.2 | Very low | 205 Ų | 205 | 146.3 Ų | 146.3 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | | | trans | -73.5 | 147.3 | 171.4 | -59.1 | 176.9 | 179.8 | -179.6 | 0 | 110.4 | | |
| 253 | P | 44.9 | Very low | 43.4 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -109.1 | 133.8 | 139 | 32.5 | -26.8 | 0 | 0 | 0 | 110.6 | | |
| 254 | D | 36.5 | Very low | 42.9 | Very low | 110 Ų | 110 | 149.9 Ų | 149.9 | 59% | 0.588 | 80% | 0.803 | S | S | * | * | | | trans | -87.1 | 127.6 | 175 | -176.4 | 17.2 | 0 | 0 | 0 | 109.1 | R256 | D254-R256 VanDerWaalsContact C-N 3.31Å; D254-R256 PolarHBondContact O-N 2.91Å; D254-R256 IonicContact OD2-CZ 3.21Å; D254-R256 IonicContact OD2-NE 2.74Å; D254-R256 PolarHBondContact OD2-NE 2.89Å; D254-R256 IonicContact OD2-NH2 2.78Å; D254-R256 PolarHBondContact OD2-NH2 3.42Å |
| 255 | L | 41.9 | Very low | 42.3 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | | | trans | -83.3 | 72.1 | -168.3 | -121.5 | 176 | 0 | 0 | 0 | 111.4 | | |
| 256 | R | 50.1 | Low | 42.4 | Very low | 202 Ų | 202 | 147.4 Ų | 147.4 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | trans | -88 | 120.9 | 179.3 | -62.2 | -170.5 | -174 | -163 | -0.9 | 111.7 | D254 L258 | D254-R256 VanDerWaalsContact C-N 3.31Å; D254-R256 PolarHBondContact O-N 2.91Å; D254-R256 IonicContact OD2-CZ 3.21Å; D254-R256 IonicContact OD2-NE 2.74Å; D254-R256 PolarHBondContact OD2-NE 2.89Å; D254-R256 IonicContact OD2-NH2 2.78Å; D254-R256 PolarHBondContact OD2-NH2 3.42Å; R256-L258 PolarHBondContact O-N 2.73Å |
| 257 | V | 46.7 | Very low | 42.2 | Very low | 133 Ų | 133 | 146.8 Ų | 146.8 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | | | trans | -65.7 | 113 | 171.3 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | I259 | V257-I259 HydrophobicContact CG1-CG1 4.31Š|
| 258 | L | 38.1 | Very low | 43 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | | | trans | -94.3 | 102.6 | 175.5 | -164.2 | 83.5 | 0 | 0 | 0 | 110.2 | R256 P260 | R256-L258 PolarHBondContact O-N 2.73Å; L258-P260 WeakPolarHBondContact O-CD 3.44Å |
| 259 | I | 49.5 | Very low | 43 | Very low | 136 Ų | 136 | 147 Ų | 147 | 70% | 0.697 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 122.9 | 168.2 | -59.9 | 170.3 | 0 | 0 | 0 | 108 | V257 P261 | V257-I259 HydrophobicContact CG1-CG1 4.31Å; I259-P261 WeakPolarHBondContact O-CD 3.25Å |
| 260 | P | 48.3 | Very low | 42.7 | Very low | 110 Ų | 110 | 145.6 Ų | 145.6 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 121.1 | 169.4 | -15.3 | 30.9 | 0 | 0 | 0 | 110 | L258 | L258-P260 WeakPolarHBondContact O-CD 3.44Š|
| 261 | P | 52.9 | Low | 42.1 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78 | 141.4 | 175.7 | 32.1 | -33.8 | 0 | 0 | 0 | 110.9 | I259 | I259-P261 WeakPolarHBondContact O-CD 3.25Š|
| 262 | G | 40.3 | Very low | 41.9 | Very low | 83 Ų | 83 | 143.7 Ų | 143.7 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75 | 135.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 263 | S | 40 | Very low | 41.3 | Very low | 123 Ų | 123 | 145 Ų | 145 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | trans | -111.5 | 139.1 | 172.1 | 53.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 264 | K | 38.3 | Very low | 41.1 | Very low | 192 Ų | 192 | 146.8 Ų | 146.8 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | -95.5 | 150.5 | -176.8 | -64.3 | 177.2 | -179.6 | 176.1 | 0 | 111.5 | | |
| 265 | N | 33.1 | Very low | 41 | Very low | 147 Ų | 147 | 147.5 Ų | 147.5 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | | | trans | 42.1 | 121.7 | 150.1 | -57 | 8.5 | 0 | 0 | 0 | 119.2 | | |
| 266 | T | 37.9 | Very low | 40.6 | Very low | 147 Ų | 147 | 146 Ų | 146 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | | | | -164.3 | 147.3 | 110.3 | 9.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 267 | M | 37.9 | Very low | 40.1 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 78% | 0.778 | 80% | 0.798 | S | S | * | * | | | trans | -86 | 164.2 | 169.2 | -72.7 | -83.7 | -72.9 | 0 | 0 | 109.9 | | |
| 268 | P | 51.5 | Low | 39.8 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | | | | -134 | 169.7 | 102.2 | 38 | -29.7 | 0 | 0 | 0 | 114.6 | | |
| 269 | S | 39.2 | Very low | 39.8 | Very low | 95 Ų | 95 | 142 Ų | 142 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | | | trans | -98.7 | 154.4 | 175.7 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 270 | V | 35.2 | Very low | 39.1 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | | -176.1 | 147 | 127.2 | 142.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 271 | N | 32.5 | Very low | 38.5 | Very low | 144 Ų | 144 | 144 Ų | 144 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | | | trans | -75.1 | 153.6 | 179.3 | -59.2 | -70.2 | 0 | 0 | 0 | 113.7 | | |
| 272 | Q | 37.3 | Very low | 37.7 | Very low | 197 Ų | 197 | 144.3 Ų | 144.3 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | | | trans | -147.8 | 173.7 | 134.1 | -122 | 170 | 80.7 | 0 | 0 | 112.5 | | |
| 273 | R | 34.4 | Very low | 37.5 | Very low | 232 Ų | 232 | 148.4 Ų | 148.4 | 88% | 0.875 | 82% | 0.819 | S | S | * | * | | | trans | -132.8 | 177.7 | -155.8 | -165.7 | -179.3 | -175.4 | -135.6 | 4.8 | 109.9 | | |
| 274 | I | 41.9 | Very low | 37.5 | Very low | 164 Ų | 164 | 147.1 Ų | 147.1 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | | | trans | 99.1 | 143.1 | 172.8 | -56.4 | 158.8 | 0 | 0 | 0 | 113 | | |
| 275 | N | 33.7 | Very low | 37.4 | Very low | 124 Ų | 124 | 144.2 Ų | 144.2 | 66% | 0.663 | 81% | 0.814 | S | S | * | * | | | cis | -174.5 | 127.7 | -33 | -179.3 | 43.2 | 0 | 0 | 0 | 110 | | |
| 276 | N | 34.6 | Very low | 38.1 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 75% | 0.749 | 81% | 0.812 | S | S | * | * | | | trans | 57.6 | 155.7 | 168.7 | -67.9 | -11.7 | 0 | 0 | 0 | 117.3 | | |
| 277 | S | 39.2 | Very low | 38.2 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | | | cis | -141.2 | 169.1 | 22.4 | -65.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 278 | Q | 40 | Very low | 38 | Very low | 185 Ų | 185 | 140.9 Ų | 140.9 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | | | trans | -37.8 | 161.1 | 163.4 | -67.5 | 169.9 | 24.7 | 0 | 0 | 116.6 | | |
| 279 | S | 37.8 | Very low | 37.6 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | cis | -165.8 | 154 | 0.4 | 38.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 280 | A | 35.2 | Very low | 37.5 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | | | trans | -177.6 | 162.5 | 148.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 281 | Q | 36.6 | Very low | 37.6 | Very low | 184 Ų | 184 | 141 Ų | 141 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | | | trans | -111.6 | 144.8 | -173.3 | -66.4 | -177.9 | -8.7 | 0 | 0 | 113.9 | | |
| 282 | S | 35.3 | Very low | 37.8 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 88% | 0.881 | 82% | 0.819 | S | S | * | * | | | trans | -154.1 | 134.7 | 155.3 | -85.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 283 | L | 36 | Very low | 38.2 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | | | trans | -116.4 | 116.5 | -176.4 | -78.7 | 165.5 | 0 | 0 | 0 | 110.9 | | |
| 284 | A | 39.9 | Very low | 38.1 | Very low | 96 Ų | 96 | 130.6 Ų | 130.6 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | | | trans | -154 | 110.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 285 | T | 35.8 | Very low | 38.1 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | -159.8 | 161.7 | 177.7 | 46 | 0 | 0 | 0 | 0 | 110.3 | | |
| 286 | P | 48.1 | Very low | 39 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | | | cis | -132.9 | 172.3 | -35.3 | 37.3 | -22.2 | 0 | 0 | 0 | 113.3 | | |
| 287 | V | 40.3 | Very low | 38.9 | Very low | 136 Ų | 136 | 127.6 Ų | 127.6 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | | | trans | -96.1 | 135.7 | 167.9 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 288 | V | 34.4 | Very low | 38.8 | Very low | 134 Ų | 134 | 132 Ų | 132 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | | | trans | -144.8 | 141.3 | 159.7 | -175 | 0 | 0 | 0 | 0 | 109.8 | | |
| 289 | S | 41.8 | Very low | 38.5 | Very low | 104 Ų | 104 | 127 Ų | 127 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | | | trans | -101.3 | 157.5 | 178.5 | -45.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 290 | V | 37.7 | Very low | 38.5 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 95% | 0.952 | 83% | 0.825 | S | S | * | * | | | trans | -147.3 | 163.4 | 162 | -112 | 0 | 0 | 0 | 0 | 111.1 | | |
| 291 | A | 37.1 | Very low | 38.6 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 79% | 0.793 | 82% | 0.823 | S | S | * | * | | | trans | -115 | 173.8 | -160.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 292 | T | 36.2 | Very low | 38.3 | Very low | 127 Ų | 127 | 124 Ų | 124 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | | | trans | -56.6 | 156.6 | 174.5 | -8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 293 | P | 46.3 | Very low | 38.5 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 74% | 0.74 | 82% | 0.817 | S | S | * | * | | | | -152.3 | 137.6 | 85.8 | 38.2 | -18.4 | 0 | 0 | 0 | 119.1 | | |
| 294 | T | 33.3 | Very low | 39.1 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | | | trans | 34.6 | 131.8 | 138.1 | 62.4 | 0 | 0 | 0 | 0 | 125.5 | | |
| 295 | L | 41 | Very low | 38.7 | Very low | 164 Ų | 164 | 127.8 Ų | 127.8 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | | | trans | 84 | 164.5 | 136.8 | -101.3 | 73.5 | 0 | 0 | 0 | 120 | | |
| 296 | P | 52.8 | Low | 38.7 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | | | | -131.4 | 174.3 | -122.8 | 41.8 | -23 | 0 | 0 | 0 | 116.5 | | |
| 297 | G | 32.2 | Very low | 38.3 | Very low | 76 Ų | 76 | 129.4 Ų | 129.4 | 78% | 0.784 | 82% | 0.822 | S | S | * | * | | | trans | -163.4 | 151.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 298 | Q | 36.8 | Very low | 37.8 | Very low | 207 Ų | 207 | 128.2 Ų | 128.2 | 97% | 0.967 | 82% | 0.82 | S | S | * | * | | | trans | -94.8 | 151.5 | 175.1 | -61.6 | 177.2 | -11.3 | 0 | 0 | 110.7 | | |
| 299 | G | 34.6 | Very low | 37.8 | Very low | 80 Ų | 80 | 128.7 Ų | 128.7 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | | | trans | -178.9 | 101.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 300 | M | 37.5 | Very low | 37.3 | Very low | 189 Ų | 189 | 128.5 Ų | 128.5 | 93% | 0.931 | 82% | 0.818 | S | S | * | * | | | trans | -50.4 | 146.6 | -176.1 | -76.9 | -77.4 | 105.8 | 0 | 0 | 119.1 | | |
| 301 | G | 36.9 | Very low | 37.3 | Very low | 80 Ų | 80 | 131.5 Ų | 131.5 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | 98 | 130.1 | 138.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 302 | G | 31.3 | Very low | 37 | Very low | 67 Ų | 67 | 129.7 Ų | 129.7 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | | | cis | 175 | -176.5 | -4.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 303 | Y | 38 | Very low | 37.1 | Very low | 239 Ų | 239 | 130.9 Ų | 130.9 | 94% | 0.937 | 81% | 0.812 | S | S | * | * | | | trans | 75.2 | 151.4 | 178.6 | -64.4 | -75.4 | 0 | 0 | 0 | 117.9 | | |
| 304 | P | 48.9 | Very low | 36.4 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 71% | 0.714 | 81% | 0.81 | S | S | * | * | | | trans | -134.7 | 171.4 | -142.2 | 42.6 | -26.1 | 0 | 0 | 0 | 115.9 | | |
| 305 | S | 32.3 | Very low | 36.7 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | | | | 168.3 | 111.7 | 123.8 | -76.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 306 | A | 35.5 | Very low | 36.6 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | | | trans | -156.6 | 131.7 | 151.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 307 | I | 39.6 | Very low | 36 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 89% | 0.892 | 82% | 0.821 | S | S | * | * | | | trans | -58.4 | 146.6 | -173.8 | 49.1 | 177.8 | 0 | 0 | 0 | 115 | | |
| 308 | S | 28.8 | Very low | 36.5 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | | | trans | -79.6 | 146.1 | -176 | -45.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 309 | T | 34.2 | Very low | 36.9 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | | | trans | -133.8 | 109.5 | 152.5 | -61.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 310 | T | 31.8 | Very low | 37.7 | Very low | 99 Ų | 99 | 133 Ų | 133 | 61% | 0.607 | 79% | 0.791 | S | S | * | * | | | trans | -164.9 | 142.5 | -179.5 | -22.5 | 0 | 0 | 0 | 0 | 104.7 | | |
| 311 | Y | 38.8 | Very low | 38 | Very low | 220 Ų | 220 | 129.9 Ų | 129.9 | 86% | 0.863 | 78% | 0.778 | S | S | * | * | | | cis | -135.6 | 172.5 | 25.3 | -82.6 | -98.3 | 0 | 0 | 0 | 110.7 | | |
| 312 | G | 30.5 | Very low | 38.4 | Very low | 59 Ų | 59 | 134.3 Ų | 134.3 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | | | cis | 171.1 | 170.5 | -5.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 313 | T | 37.3 | Very low | 39 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 93% | 0.926 | 78% | 0.782 | S | S | * | * | | | trans | -106.5 | 109.1 | 173.4 | 49.4 | 0 | 0 | 0 | 0 | 110 | | |
| 314 | E | 33.2 | Very low | 39.5 | Very low | 151 Ų | 151 | 128.9 Ų | 128.9 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | trans | -138 | 116.4 | 170 | 61.5 | -164.5 | 126.5 | 0 | 0 | 109.6 | | |
| 315 | Y | 39.4 | Very low | 39.3 | Very low | 215 Ų | 215 | 131.6 Ų | 131.6 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | | | trans | 174.7 | 84.5 | 148 | -78.7 | -42.4 | 0 | 0 | 0 | 108.5 | L317 | Y315-L317 PolarHBondContact O-N 3.21Š|
| 316 | S | 38 | Very low | 39.9 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | | | trans | -70.6 | 109.8 | 166.6 | -60.2 | 0 | 0 | 0 | 0 | 109 | S318 | S316-S318 PolarHBondContact O-N 3.16Š|
| 317 | L | 41.3 | Very low | 40.1 | Very low | 163 Ų | 163 | 129.4 Ų | 129.4 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | trans | -76.3 | 123.2 | 174.9 | -69.8 | 178.8 | 0 | 0 | 0 | 110.6 | Y315 | Y315-L317 PolarHBondContact O-N 3.21Š|
| 318 | S | 42.3 | Very low | 39.8 | Very low | 88 Ų | 88 | 131.5 Ų | 131.5 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | | | trans | -73.7 | 144.6 | 174.6 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | S316 A320 | S316-S318 PolarHBondContact O-N 3.16Å; S318-A320 PolarHBondContact O-N 3.45Å |
| 319 | S | 45.5 | Very low | 40.1 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 15.1 | -175.8 | -41.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 320 | A | 50.4 | Low | 40 | Very low | 56 Ų | 56 | 133.7 Ų | 133.7 | 46% | 0.463 | 77% | 0.769 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.2 | -40.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S318 L322 S323 | S318-A320 PolarHBondContact O-N 3.45Å; A320-L322 VanDerWaalsContact C-N 3.3Å; A320-L322 PolarHBondContact O-N 3.4Å; A320-S323 PolarHBondContact O-N 3.46Å; A320-S323 PolarHBondContact O-OG 3.35Å |
| 321 | D | 44.4 | Very low | 40.2 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 66% | 0.658 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -76.2 | -10.3 | -163.6 | -65.1 | -57 | 0 | 0 | 0 | 115.3 | S323 S324 | D321-S323 PolarHBondContact O-N 3.41Å; D321-S324 PolarHBondContact O-OG 3.33Å; D321-S324 VanDerWaalsContact O-OG 3.13Å |
| 322 | L | 44.1 | Very low | 40.1 | Very low | 174 Ų | 174 | 128.7 Ų | 128.7 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -72.1 | -2.5 | 174.6 | -66.1 | 177.6 | 0 | 0 | 0 | 113.9 | A320 | A320-L322 VanDerWaalsContact C-N 3.3Å; A320-L322 PolarHBondContact O-N 3.4Å |
| 323 | S | 45.1 | Very low | 40.2 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -87.5 | 0.6 | -174.1 | -48.8 | 0 | 0 | 0 | 0 | 114.8 | A320 D321 | A320-S323 PolarHBondContact O-N 3.46Å; A320-S323 PolarHBondContact O-OG 3.35Å; D321-S323 PolarHBondContact O-N 3.41Å |
| 324 | S | 48.7 | Very low | 40.1 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -108.3 | -4.8 | -162.7 | 60.3 | 0 | 0 | 0 | 0 | 116.4 | D321 | D321-S324 PolarHBondContact O-OG 3.33Å; D321-S324 VanDerWaalsContact O-OG 3.13Å |
| 325 | L | 45 | Very low | 40 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | -114.5 | 49.8 | 179.9 | -74.7 | 174 | 0 | 0 | 0 | 113.4 | G327 | L325-G327 VanDerWaalsContact C-N 3.35Å; L325-G327 PolarHBondContact O-N 3.17Å; L325-G327 VanDerWaalsContact O-N 3.11Å |
| 326 | S | 43.6 | Very low | 39.7 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | -80.9 | 71.8 | 171.3 | 45 | 0 | 0 | 0 | 0 | 112 | | |
| 327 | G | 40.8 | Very low | 39.3 | Very low | 58 Ų | 58 | 128.3 Ų | 128.3 | 60% | 0.598 | 78% | 0.783 | S | S | * | * | | | trans | -171 | 80.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | L325 | L325-G327 VanDerWaalsContact C-N 3.35Å; L325-G327 PolarHBondContact O-N 3.17Å; L325-G327 VanDerWaalsContact O-N 3.11Å |
| 328 | F | 32.4 | Very low | 38.9 | Very low | 218 Ų | 218 | 125.9 Ų | 125.9 | 96% | 0.956 | 78% | 0.78 | S | S | * | * | | | | 172.6 | 108.8 | 127 | -91.2 | -60.9 | 0 | 0 | 0 | 109.8 | | |
| 329 | N | 35.3 | Very low | 38.5 | Very low | 159 Ų | 159 | 127.6 Ų | 127.6 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | | | trans | -87.3 | 138.5 | 174 | -83.9 | -69.8 | 0 | 0 | 0 | 110.9 | | |
| 330 | T | 32.7 | Very low | 38 | Very low | 141 Ų | 141 | 128.4 Ų | 128.4 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | | | | -165 | 126.4 | 122.1 | 18.6 | 0 | 0 | 0 | 0 | 113 | | |
| 331 | A | 35.6 | Very low | 37 | Very low | 89 Ų | 89 | 129 Ų | 129 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | | | trans | 33.1 | 104 | 149 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 332 | S | 36 | Very low | 36.3 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | | | | 162.1 | 93 | 107.2 | -70.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 333 | A | 33.8 | Very low | 35.8 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | -140.4 | 130.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 334 | L | 35.3 | Very low | 35.3 | Very low | 185 Ų | 185 | 136.6 Ų | 136.6 | 97% | 0.969 | 80% | 0.804 | S | S | * | * | | | trans | -87.4 | 122.4 | 176.8 | -66.4 | 169.5 | 0 | 0 | 0 | 109.3 | | |
| 335 | H | 30.3 | Very low | 34.7 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 82% | 0.819 | 81% | 0.807 | S | S | * | * | | | trans | -90.1 | 108.1 | 179.1 | -177.3 | -80.1 | 0 | 0 | 0 | 111.2 | G337 | H335-G337 PolarHBondContact O-N 3.01Š|
| 336 | L | 32.7 | Very low | 34 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | | | trans | -83.4 | 96.3 | 174.4 | -169.9 | 72.6 | 0 | 0 | 0 | 110.1 | | |
| 337 | G | 29.5 | Very low | 33.3 | Very low | 57 Ų | 57 | 138.6 Ų | 138.6 | 59% | 0.588 | 79% | 0.788 | S | S | * | * | | | trans | -93.4 | 140.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | H335 | H335-G337 PolarHBondContact O-N 3.01Š|
| 338 | S | 33.2 | Very low | 32.9 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | | | trans | -139.9 | 123 | 171.6 | 178.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 339 | V | 33.2 | Very low | 32.9 | Very low | 125 Ų | 125 | 140 Ų | 140 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | | | | -176.1 | 141.3 | 119.3 | -87.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 340 | T | 36.4 | Very low | 32.6 | Very low | 141 Ų | 141 | 140 Ų | 140 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | | | trans | 38.3 | 125.6 | 148.3 | 60.7 | 0 | 0 | 0 | 0 | 122.2 | | |
| 341 | G | 30 | Very low | 33.3 | Very low | 69 Ų | 69 | 139.1 Ų | 139.1 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | trans | 166.2 | 105.6 | 152.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 342 | W | 29.7 | Very low | 34.5 | Very low | 241 Ų | 241 | 140.3 Ų | 140.3 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | | | trans | 49.3 | 126.4 | 144.5 | -71.5 | 87.5 | 0 | 0 | 0 | 123.9 | | |
| 343 | Q | 33.2 | Very low | 34.3 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 70% | 0.696 | 78% | 0.777 | S | S | * | * | | | | 82.8 | 82.3 | 129 | -152.2 | 159.5 | 4.6 | 0 | 0 | 122.9 | | |
| 344 | Q | 34.8 | Very low | 34.3 | Very low | 164 Ų | 164 | 139.4 Ų | 139.4 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | | 37.1 | 109.1 | 109.6 | -168.2 | -170.4 | 0.2 | 0 | 0 | 120 | | |
| 345 | Q | 35.3 | Very low | 34.3 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | | 168.1 | 135.2 | 116.5 | -89.4 | -153.3 | -74.3 | 0 | 0 | 114.3 | | |
| 346 | H | 30.1 | Very low | 34.5 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | | | trans | 54.7 | 155 | 137.6 | -69.1 | -121.4 | 0 | 0 | 0 | 121.2 | | |
| 347 | L | 29.8 | Very low | 34.5 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 63% | 0.634 | 75% | 0.754 | S | S | * | * | | | cis | -169.7 | 171.9 | -17.7 | 179.3 | 60.2 | 0 | 0 | 0 | 107.8 | | |
| 348 | H | 32.4 | Very low | 34.7 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | | | trans | 77.5 | 152.9 | 170.2 | -57.9 | -76.9 | 0 | 0 | 0 | 118.2 | | |
| 349 | N | 32.2 | Very low | 34.6 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | cis | -160.6 | 165.7 | -40.6 | -128.7 | 40.3 | 0 | 0 | 0 | 111.3 | | |
| 350 | M | 29.4 | Very low | 34.6 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | | | trans | -66.3 | 171.4 | 168.1 | -75.2 | -76.3 | -175.6 | 0 | 0 | 112.9 | | |
| 351 | P | 46.7 | Very low | 34.4 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | | | cis | -140.4 | -176.5 | 17.8 | 38.7 | -16.9 | 0 | 0 | 0 | 117.8 | | |
| 352 | P | 60.6 | Low | 34.5 | Very low | 114 Ų | 114 | 144 Ų | 144 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | | | trans | -110.3 | 174 | 175.7 | 41.3 | -34.4 | 0 | 0 | 0 | 115.8 | | |
| 353 | S | 32.4 | Very low | 34.5 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | -143.1 | 124 | 170.4 | -69 | 0 | 0 | 0 | 0 | 110 | | |
| 354 | A | 34 | Very low | 34.4 | Very low | 93 Ų | 93 | 137.4 Ų | 137.4 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | | 68 | 107.1 | 81.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 355 | L | 34.2 | Very low | 35.3 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | | | | 81.3 | 113.9 | 62.1 | -175.4 | 90.4 | 0 | 0 | 0 | 114.2 | | |
| 356 | S | 34 | Very low | 35.1 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | | | trans | 158.3 | 138.3 | 136.7 | -77.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 357 | Q | 34.3 | Very low | 35 | Very low | 176 Ų | 176 | 136 Ų | 136 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | trans | 62.2 | 164.3 | 136.3 | -66 | 177.1 | 40 | 0 | 0 | 121.4 | | |
| 358 | L | 32.9 | Very low | 35 | Very low | 162 Ų | 162 | 140 Ų | 140 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | | | cis | -174.6 | 137 | -30.2 | 179.1 | 76.3 | 0 | 0 | 0 | 111 | | |
| 359 | G | 31.2 | Very low | 35.8 | Very low | 75 Ų | 75 | 138.1 Ų | 138.1 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | 74.8 | 172.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 360 | D | 33.2 | Very low | 35.9 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | | | cis | -168.7 | 167.6 | -17.1 | -176.7 | 28.9 | 0 | 0 | 0 | 110.7 | | |
| 361 | R | 32.4 | Very low | 36 | Very low | 212 Ų | 212 | 137.9 Ų | 137.9 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | | | trans | 69.2 | 149.5 | 156.8 | -91.4 | 165.8 | 171.2 | -150.6 | -6.9 | 120.1 | | |
| 362 | T | 31.4 | Very low | 35.3 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | cis | -145.5 | -164.4 | -8.3 | -18.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 363 | T | 30.3 | Very low | 33.7 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | | | cis | -152.6 | -162.8 | 12.9 | -25 | 0 | 0 | 0 | 0 | 110.7 | | |
| 364 | T | 31.2 | Very low | 33.8 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | | | trans | -142.9 | -158.4 | 175.6 | 69.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 365 | P | 53.7 | Low | 33.6 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | | | cis | -95.3 | -155.7 | 14.1 | 43.5 | -39.8 | 0 | 0 | 0 | 112.5 | | |
| 366 | S | 31 | Very low | 33.7 | Very low | 101 Ų | 101 | 142.8 Ų | 142.8 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | cis | -162.7 | 172.6 | 0.7 | -135.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 367 | R | 28 | Very low | 33.7 | Very low | 221 Ų | 221 | 142 Ų | 142 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | | | cis | -154.2 | -152 | -4.6 | -148 | 179.2 | -173.1 | -159 | 2 | 109.5 | | |
| 368 | Y | 28.7 | Very low | 33.8 | Very low | 203 Ų | 203 | 145.9 Ų | 145.9 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | | | trans | -149.1 | 170.8 | -177 | -89.5 | -69.2 | 0 | 0 | 0 | 109.8 | | |
| 369 | P | 50.6 | Low | 34.1 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | | | cis | -143.7 | -161.7 | 37.6 | 46.3 | -25.8 | 0 | 0 | 0 | 114.4 | | |
| 370 | Q | 34.2 | Very low | 35.1 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | | | cis | -164.2 | -179.5 | -39.2 | -101 | -71 | 6.3 | 0 | 0 | 110.2 | | |
| 371 | H | 31.3 | Very low | 35.2 | Very low | 165 Ų | 165 | 144.8 Ų | 144.8 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | trans | 78.2 | 152.5 | 158 | -68.9 | -69.2 | 0 | 0 | 0 | 120.3 | | |
| 372 | T | 30.9 | Very low | 35.3 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | | | | -175.9 | 156.9 | -56.6 | 30.6 | 0 | 0 | 0 | 0 | 112 | | |
| 373 | R | 28.3 | Very low | 35.5 | Very low | 207 Ų | 207 | 141.7 Ų | 141.7 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | | | trans | 107.3 | 129.9 | 152.9 | -59.1 | -160.2 | 95.8 | 175.5 | 5.6 | 120.6 | | |
| 374 | H | 34 | Very low | 35.9 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | | | trans | 42.7 | 148 | 130.6 | -65.7 | -96.9 | 0 | 0 | 0 | 122.2 | | |
| 375 | E | 30.3 | Very low | 36 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | cis | -171.8 | 170.1 | -15.7 | -159.7 | 179.5 | 135.1 | 0 | 0 | 110.8 | | |
| 376 | A | 35 | Very low | 35.2 | Very low | 95 Ų | 95 | 143.6 Ų | 143.6 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | trans | 76.7 | 123.5 | 150.5 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 377 | G | 34.4 | Very low | 35.2 | Very low | 70 Ų | 70 | 145.2 Ų | 145.2 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | | | | 130.3 | 97.9 | 121.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 378 | R | 36.7 | Very low | 35.4 | Very low | 258 Ų | 258 | 139.1 Ų | 139.1 | 97% | 0.974 | 78% | 0.779 | S | S | * | * | | | trans | 72.8 | 146.6 | 146.7 | -54.5 | 175.5 | -176.3 | -104.2 | -1.1 | 120.3 | | |
| 379 | S | 39 | Very low | 35.8 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | -119.5 | 177.4 | 165.4 | 60.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 380 | P | 52 | Low | 35.1 | Very low | 108 Ų | 108 | 135 Ų | 135 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | | -157.8 | -171.6 | 92.6 | 43.3 | -23.4 | 0 | 0 | 0 | 117 | | |
| 381 | V | 36.7 | Very low | 35.3 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | | | trans | 73 | 123.8 | 159.5 | -59.8 | 0 | 0 | 0 | 0 | 123.4 | | |
| 382 | D | 33.7 | Very low | 35.7 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | | | trans | -60.7 | 154 | 174.4 | -46.8 | -94.6 | 0 | 0 | 0 | 117.3 | | |
| 383 | S | 35.1 | Very low | 36 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | | 163.8 | 157.6 | 108.8 | -78 | 0 | 0 | 0 | 0 | 114.7 | | |
| 384 | L | 38.1 | Very low | 36.6 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | | | trans | -108.4 | 160.4 | 179.6 | -58.8 | 163.5 | 0 | 0 | 0 | 110.9 | | |
| 385 | S | 34.4 | Very low | 36.6 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | | | | 178.6 | 162.2 | 125.3 | -83.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 386 | S | 37.2 | Very low | 37.1 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | trans | -129.8 | 147.2 | -176.8 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 387 | C | 30.8 | Very low | 37.1 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 92% | 0.919 | 80% | 0.799 | S | S | * | * | | | trans | -164.5 | 169.2 | 158.2 | -96 | 0 | 0 | 0 | 0 | 107.9 | | |
| 388 | S | 32.3 | Very low | 37.1 | Very low | 93 Ų | 93 | 141.3 Ų | 141.3 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | | | cis | 159.5 | 127.6 | -35.4 | -176.7 | 0 | 0 | 0 | 0 | 106.5 | | |
| 389 | S | 35.7 | Very low | 37.2 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | 40.1 | 124.6 | 152.1 | 60.6 | 0 | 0 | 0 | 0 | 121.6 | | |
| 390 | S | 37.3 | Very low | 37 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | | 178.2 | -179 | 111.7 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 391 | Y | 38.8 | Very low | 36.1 | Very low | 211 Ų | 211 | 144.9 Ų | 144.9 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | | | trans | -133.1 | 132 | -169.7 | 162.1 | -80.2 | 0 | 0 | 0 | 109.2 | | |
| 392 | D | 38 | Very low | 35.8 | Very low | 125 Ų | 125 | 146.7 Ų | 146.7 | 67% | 0.668 | 80% | 0.804 | S | S | * | * | | | | -165.8 | 161.2 | 126.6 | -167.9 | 28.4 | 0 | 0 | 0 | 109.6 | | |
| 393 | G | 38.1 | Very low | 35.7 | Very low | 61 Ų | 61 | 147.4 Ų | 147.4 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | | | trans | -130.7 | 106.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 394 | S | 40.2 | Very low | 35.6 | Very low | 109 Ų | 109 | 149 Ų | 149 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -93.1 | 123.2 | 175 | -48.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 395 | D | 35.6 | Very low | 35.4 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | trans | -62.6 | 148.8 | 169.9 | -77.5 | -63.4 | 0 | 0 | 0 | 112.5 | | |
| 396 | R | 39.7 | Very low | 36.6 | Very low | 244 Ų | 244 | 145.5 Ų | 145.5 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | | | trans | -141.9 | 94 | 162.6 | -83.2 | -169.6 | 165.7 | 159.4 | -2.3 | 109.3 | | |
| 397 | E | 35.4 | Very low | 36.5 | Very low | 166 Ų | 166 | 148.2 Ų | 148.2 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | -77.3 | 133.5 | 166.5 | -67.1 | -167.4 | 111.8 | 0 | 0 | 110.6 | H399 | E397-H399 PolarHBondContact O-N 3.43Š|
| 398 | D | 34.5 | Very low | 36.5 | Very low | 150 Ų | 150 | 145 Ų | 145 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | -68 | 116 | 173.1 | -89.7 | -71.1 | 0 | 0 | 0 | 111.1 | | |
| 399 | H | 39 | Very low | 36.6 | Very low | 169 Ų | 169 | 148.1 Ų | 148.1 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | | | trans | -120.3 | 100.4 | 161.9 | -84.1 | 78.9 | 0 | 0 | 0 | 110.2 | E397 | E397-H399 PolarHBondContact O-N 3.43Š|
| 400 | R | 34 | Very low | 36.5 | Very low | 226 Ų | 226 | 150.3 Ų | 150.3 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | trans | -81.1 | 126.8 | 168.5 | -67.9 | 179.2 | 173.6 | -166.3 | -2.5 | 109.6 | | |
| 401 | N | 34.2 | Very low | 36.3 | Very low | 159 Ų | 159 | 155.3 Ų | 155.3 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | | | trans | -158.7 | 84.9 | 150.1 | -97.2 | -21.4 | 0 | 0 | 0 | 110 | | |
| 402 | E | 30.5 | Very low | 36.6 | Very low | 171 Ų | 171 | 150.1 Ų | 150.1 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | | 32.8 | 149.1 | 126.1 | -126.2 | 171.8 | -143.4 | 0 | 0 | 122.8 | | |
| 403 | F | 30.6 | Very low | 36.3 | Very low | 160 Ų | 160 | 149.6 Ų | 149.6 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | | | trans | 89.5 | 108.6 | 168.2 | -79.9 | -105.2 | 0 | 0 | 0 | 121.4 | | |
| 404 | H | 32.4 | Very low | 37.2 | Very low | 153 Ų | 153 | 151.8 Ų | 151.8 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | | | trans | 57.6 | 98.7 | 151.7 | -62.5 | -39.8 | 0 | 0 | 0 | 123.4 | | |
| 405 | S | 35.1 | Very low | 36.8 | Very low | 112 Ų | 112 | 153.9 Ų | 153.9 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | | 55.7 | 149.4 | 105 | -57.3 | 0 | 0 | 0 | 0 | 123 | | |
| 406 | P | 58.5 | Low | 36.8 | Very low | 113 Ų | 113 | 152.9 Ų | 152.9 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | -117 | 174.7 | -160.9 | 42.7 | -31.3 | 0 | 0 | 0 | 115.7 | | |
| 407 | I | 35.4 | Very low | 36.5 | Very low | 167 Ų | 167 | 150.3 Ų | 150.3 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | 167.3 | 145.5 | 134.4 | -89.4 | 155.9 | 0 | 0 | 0 | 111.7 | | |
| 408 | G | 30.3 | Very low | 36.3 | Very low | 67 Ų | 67 | 150 Ų | 150 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | | | trans | 138.9 | 80.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 409 | L | 36 | Very low | 36.2 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | | 59.7 | 103.5 | 91.1 | -81.2 | 162.5 | 0 | 0 | 0 | 116.7 | | |
| 410 | T | 33.6 | Very low | 36.7 | Very low | 150 Ų | 150 | 146 Ų | 146 | 92% | 0.92 | 77% | 0.774 | S | S | * | * | | | | -178.3 | -174.2 | 116.2 | 28.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 411 | R | 33 | Very low | 36.7 | Very low | 236 Ų | 236 | 140.3 Ų | 140.3 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | | | trans | -145.5 | -167.2 | -157.6 | -154.8 | -160.4 | 167.7 | -166.3 | -2.1 | 111.5 | | |
| 412 | P | 44.9 | Very low | 37 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | | | | -101.3 | 178.8 | -110.3 | 42.1 | -27.2 | 0 | 0 | 0 | 115.8 | | |
| 413 | S | 32.2 | Very low | 37.4 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | | 174.6 | 159.1 | 119.2 | -146.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 414 | P | 55.3 | Low | 37.9 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | | | trans | -115.6 | 173.3 | 179.2 | 42.3 | -32.3 | 0 | 0 | 0 | 114.8 | | |
| 415 | D | 33 | Very low | 38 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -171.1 | 123.6 | 146 | -91.7 | -30.6 | 0 | 0 | 0 | 107.1 | | |
| 416 | E | 34.8 | Very low | 38.3 | Very low | 133 Ų | 133 | 148.5 Ų | 148.5 | 62% | 0.621 | 78% | 0.782 | S | S | * | * | | | | 90.4 | 124.7 | 72.4 | -95.9 | -98.8 | 106.6 | 0 | 0 | 114.2 | | |
| 417 | R | 33.2 | Very low | 37.8 | Very low | 190 Ų | 190 | 150.6 Ų | 150.6 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | | | trans | 70.8 | 155.4 | 164.6 | -59.4 | 164.2 | -159.2 | -106.9 | -10.5 | 117.4 | | |
| 418 | E | 31.2 | Very low | 38.2 | Very low | 161 Ų | 161 | 147.6 Ų | 147.6 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | | | cis | -146.3 | 176.5 | -6.6 | -133.5 | 163.3 | 95.1 | 0 | 0 | 111.3 | | |
| 419 | S | 33.9 | Very low | 38.9 | Very low | 109 Ų | 109 | 153.1 Ų | 153.1 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | trans | -136.9 | 147 | 170.5 | -68.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 420 | P | 47.8 | Very low | 39.1 | Very low | 124 Ų | 124 | 148.8 Ų | 148.8 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | | | | -146.6 | 152.6 | 116.5 | 36 | -20.7 | 0 | 0 | 0 | 117.2 | | |
| 421 | S | 35.3 | Very low | 39.6 | Very low | 108 Ų | 108 | 152.4 Ų | 152.4 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -38.6 | 138.1 | 163.4 | 179.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 422 | V | 40.1 | Very low | 40 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | | | trans | -125.2 | 155.1 | 152.3 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 423 | K | 38.8 | Very low | 40.3 | Very low | 168 Ų | 168 | 150.9 Ų | 150.9 | 73% | 0.73 | 80% | 0.804 | S | S | * | * | | | trans | -131.2 | 117.3 | -148.6 | 173.2 | -176.8 | 174.1 | -175.2 | 0 | 112.9 | | |
| 424 | R | 40.6 | Very low | 40.7 | Very low | 222 Ų | 222 | 152.7 Ų | 152.7 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | trans | 47.2 | 115.2 | 150 | -176.2 | -156 | -66.4 | -174 | -3.4 | 117.5 | | |
| 425 | M | 34.9 | Very low | 39.9 | Very low | 160 Ų | 160 | 155.2 Ų | 155.2 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | | | trans | -136.1 | 133.4 | 137.7 | -149.6 | 163.5 | 89.2 | 0 | 0 | 110.9 | L427 | M425-L427 HydrophobicContact CE-CD1 3.98Å; M425-L427 HydrophobicContact CE-CD2 3.97Å; M425-L427 HydrophobicContact CE-CG 3.83Å |
| 426 | R | 41.5 | Very low | 40.3 | Very low | 230 Ų | 230 | 155.3 Ų | 155.3 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | | | trans | -100.1 | 133.4 | 161 | -101.2 | -177.2 | 164.4 | 95.1 | -4.5 | 105.7 | | |
| 427 | L | 48.8 | Very low | 40.7 | Very low | 156 Ų | 156 | 156.6 Ų | 156.6 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | | | trans | -104.5 | 142 | 158.3 | -78.3 | 167.5 | 0 | 0 | 0 | 108 | M425 | M425-L427 HydrophobicContact CE-CD1 3.98Å; M425-L427 HydrophobicContact CE-CD2 3.97Å; M425-L427 HydrophobicContact CE-CG 3.83Å |
| 428 | S | 44 | Very low | 41.1 | Very low | 105 Ų | 105 | 154.5 Ų | 154.5 | 73% | 0.734 | 83% | 0.827 | S | S | * | * | | | trans | -143.6 | 93 | -173.9 | 55.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 429 | E | 43.7 | Very low | 41.8 | Very low | 182 Ų | 182 | 154.1 Ų | 154.1 | 85% | 0.85 | 83% | 0.832 | S | S | * | * | | | trans | -153.4 | 139.1 | 167.8 | -103.6 | 153.8 | -138.7 | 0 | 0 | 107 | | |
| 430 | G | 41.3 | Very low | 42.3 | Very low | 69 Ų | 69 | 157.3 Ų | 157.3 | 71% | 0.711 | 84% | 0.837 | S | S | * | * | | | cis | 126.1 | 48.4 | -0.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 431 | W | 42.7 | Very low | 41.9 | Very low | 226 Ų | 226 | 159.8 Ų | 159.8 | 86% | 0.856 | 84% | 0.84 | S | S | * | * | | | trans | -124.3 | 131.1 | 178.4 | -78.1 | 83.6 | 0 | 0 | 0 | 111.3 | | |
| 432 | A | 43.1 | Very low | 42.5 | Very low | 98 Ų | 98 | 164.2 Ų | 164.2 | 81% | 0.81 | 85% | 0.847 | S | S | * | * | | | trans | -145.6 | 122.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 433 | T | 50.5 | Low | 42.7 | Very low | 207 Ų | 207 | 165.7 Ų | 165.7 | 100% | 1.27 | 84% | 0.843 | S | S | * | * | | | trans | -152.8 | 0 | 165.4 | 49.5 | 0 | 0 | 0 | 0 | 107.1 | | |