| 1 | M | 64.9 | Low | 88.2 | Confident | 235 Ų | 235 | 151.7 Ų | 151.7 | 100% | 1.158 | 73% | 0.727 | S | S | * | * | | | | 0 | 124.8 | 0 | -179.6 | 153.7 | 54.5 | 0 | 0 | 109 | | |
| 2 | G | 84.7 | Confident | 87.8 | Confident | 67 Ų | 67 | 149.8 Ų | 149.8 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | | | trans | -83.1 | 177.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 3 | R | 88.1 | Confident | 86.2 | Confident | 262 Ų | 262 | 144.8 Ų | 144.8 | 99% | 0.989 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -73 | 123.5 | 172.3 | -62 | -179.4 | -175.1 | 177.7 | 2.8 | 109.5 | | |
| 4 | K | 91.1 | Very high | 84.5 | Confident | 185 Ų | 185 | 145.2 Ų | 145.2 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -95 | 148.3 | 169.3 | -67.3 | -170.1 | 175.5 | -171.3 | 0 | 110.6 | | |
| 5 | K | 90.8 | Very high | 82.6 | Confident | 209 Ų | 209 | 147.4 Ų | 147.4 | 91% | 0.909 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 142.9 | 167.6 | -176.6 | -177.4 | 176.1 | -170.8 | 0 | 109.1 | | |
| 6 | I | 91.3 | Very high | 80.3 | Confident | 89 Ų | 89 | 148.7 Ų | 148.7 | 46% | 0.456 | 71% | 0.712 | S | S | . | * | | | trans | -132.4 | 155.5 | 171.7 | 69.8 | 172.5 | 0 | 0 | 0 | 109.9 | I11 | I6-I11 HydrophobicContact CD1-CD1 4.37Š|
| 7 | Q | 92.6 | Very high | 78.7 | Confident | 158 Ų | 158 | 153.5 Ų | 153.5 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | | | trans | -68.9 | 153.8 | 172.1 | -171.8 | 173.2 | -1.1 | 0 | 0 | 110.9 | S9 | Q7-S9 PolarHBondContact O-N 3.46Š|
| 8 | I | 93.4 | Very high | 77.5 | Confident | 144 Ų | 144 | 152.9 Ų | 152.9 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -88.1 | 87.2 | 170.6 | -53.9 | -55.4 | 0 | 0 | 0 | 108 | | |
| 9 | S | 92.8 | Very high | 76.5 | Confident | 75 Ų | 75 | 149.8 Ų | 149.8 | 52% | 0.524 | 71% | 0.713 | S | S | . | * | S | Bend | trans | -145.9 | 171.2 | 176.9 | 59.7 | 0 | 0 | 0 | 0 | 110.1 | Q7 I11 | Q7-S9 PolarHBondContact O-N 3.46Å; S9-I11 PolarHBondContact O-N 3.12Å; S9-I11 VanDerWaalsContact O-N 3.13Å |
| 10 | R | 90.8 | Very high | 76.3 | Confident | 196 Ų | 196 | 142.7 Ų | 142.7 | 74% | 0.74 | 68% | 0.68 | S | S | * | * | | | trans | -67.4 | 111.2 | 177.7 | -177.8 | 173.8 | 179.8 | 152.7 | -2 | 109.9 | L12 | R10-L12 PolarHBondContact O-N 2.84Å; R10-L12 VanDerWaalsContact O-N 3.16Å |
| 11 | I | 89.7 | Confident | 76.4 | Confident | 49 Ų | 49 | 138.3 Ų | 138.3 | 25% | 0.251 | 66% | 0.663 | S | S | . | * | | | trans | -63.8 | 116.1 | 174.1 | -61.7 | 164.4 | 0 | 0 | 0 | 108.7 | I6 S9 P21 W22 T25 | I6-I11 HydrophobicContact CD1-CD1 4.37Å; S9-I11 PolarHBondContact O-N 3.12Å; S9-I11 VanDerWaalsContact O-N 3.13Å; I11-P21 HydrophobicContact CG2-CB 4.44Å; I11-W22 HydrophobicContact CG2-CB 4.21Å; I11-T25 HydrophobicContact CD1-CG2 3.71Å |
| 12 | L | 83.4 | Confident | 77.3 | Confident | 128 Ų | 128 | 130.2 Ų | 130.2 | 67% | 0.67 | 62% | 0.62 | S | S | * | * | | | trans | -77.2 | 147.3 | 174.6 | -58.5 | -179.6 | 0 | 0 | 0 | 110.8 | R10 Q14 | R10-L12 PolarHBondContact O-N 2.84Å; R10-L12 VanDerWaalsContact O-N 3.16Å; L12-Q14 VanDerWaalsContact C-N 3.33Å; L12-Q14 PolarHBondContact O-N 3.01Å |
| 13 | D | 67.4 | Low | 77.5 | Confident | 86 Ų | 86 | 132.9 Ų | 132.9 | 46% | 0.46 | 61% | 0.612 | S | S | . | * | | | trans | -85.3 | 72.9 | -177.2 | -157.2 | -30.6 | 0 | 0 | 0 | 111.3 | S20 | D13-S20 WeakPolarHBondContact OD1-CB 3.09Å; D13-S20 WeakPolarHBondContact OD2-CB 3.15Å; D13-S20 PolarHBondContact OD2-OG 3.36Å |
| 14 | Q | 61.8 | Low | 77.6 | Confident | 150 Ų | 150 | 123.3 Ų | 123.3 | 70% | 0.701 | 58% | 0.583 | S | S | * | * | | | trans | -109.9 | 80.4 | -174.8 | -158.8 | -176 | 33.4 | 0 | 0 | 112.5 | L12 | L12-Q14 VanDerWaalsContact C-N 3.33Å; L12-Q14 PolarHBondContact O-N 3.01Å |
| 15 | R | 56.1 | Low | 77.7 | Confident | 178 Ų | 178 | 116.3 Ų | 116.3 | 67% | 0.672 | 56% | 0.556 | S | S | * | * | | | trans | 172.7 | 114.5 | 141.3 | -97.6 | 178.2 | -147 | 81.9 | -8.1 | 111.8 | R17 | R15-R17 PolarHBondContact O-N 3.28Š|
| 16 | N | 46.8 | Very low | 77.8 | Confident | 168 Ų | 168 | 108.4 Ų | 108.4 | 90% | 0.898 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 28.9 | 179.2 | -64.9 | -1.2 | 0 | 0 | 0 | 115.6 | | |
| 17 | R | 51.7 | Low | 78 | Confident | 230 Ų | 230 | 108.4 Ų | 108.4 | 87% | 0.868 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.4 | 12.6 | -179.9 | -68.6 | -167.7 | 178.6 | -174.5 | 0.4 | 114.6 | R15 | R15-R17 PolarHBondContact O-N 3.28Š|
| 18 | Q | 57.3 | Low | 78.1 | Confident | 144 Ų | 144 | 108.3 Ų | 108.3 | 67% | 0.673 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -143.2 | 152.2 | 174.9 | -73.8 | -64 | -52.4 | 0 | 0 | 109.6 | S20 | Q18-S20 PolarHBondContact O-N 3.07Š|
| 19 | P | 59.9 | Low | 78.3 | Confident | 93 Ų | 93 | 108 Ų | 108 | 60% | 0.604 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -58.1 | 125.3 | 169.4 | 26.3 | -34 | 0 | 0 | 0 | 108.5 | V24 | P19-V24 HydrophobicContact CB-CG2 4.24Å; P19-V24 HydrophobicContact CG-CG2 4.27Å; P19-V24 WeakPolarHBondContact O-CG2 3.33Å |
| 20 | S | 71.1 | Confident | 78.5 | Confident | 7 Ų | 7 | 106.6 Ų | 106.6 | 5% | 0.049 | 50% | 0.497 | C | S | . | . | | | trans | -62.5 | 143.7 | -152.8 | 59 | 0 | 0 | 0 | 0 | 114.8 | D13 Q18 W22 K23 V24 | D13-S20 WeakPolarHBondContact OD1-CB 3.09Å; D13-S20 WeakPolarHBondContact OD2-CB 3.15Å; D13-S20 PolarHBondContact OD2-OG 3.36Å; Q18-S20 PolarHBondContact O-N 3.07Å; S20-W22 PolarHBondContact O-N 3.32Å; S20-W22 VanDerWaalsContact O-N 3.11Å; S20-K23 PolarHBondContact O-N 2.88Å; S20-K23 VanDerWaalsContact OG-CD 3.3Å; S20-K23 WeakPolarHBondContact OG-CD 3.44Å; S20-K23 VanDerWaalsContact OG-CG 3.29Å; S20-K23 WeakPolarHBondContact OG-CG 3.27Å; S20-V24 PolarHBondContact O-N 3.18Å |
| 21 | P | 78.4 | Confident | 78.9 | Confident | 51 Ų | 51 | 104.2 Ų | 104.2 | 33% | 0.331 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.4 | -30.5 | -173.5 | 22.8 | -33.9 | 0 | 0 | 0 | 112.1 | I11 T25 | I11-P21 HydrophobicContact CG2-CB 4.44Å; P21-T25 WeakPolarHBondContact O-CB 3.07Å; P21-T25 PolarHBondContact O-N 3.37Å; P21-T25 PolarHBondContact O-OG1 2.64Å |
| 22 | W | 83.7 | Confident | 79.3 | Confident | 65 Ų | 65 | 103.6 Ų | 103.6 | 25% | 0.246 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -64.6 | -52 | 170.2 | 179.9 | 82.9 | 0 | 0 | 0 | 112.4 | I11 S20 V24 T25 F26 N54 | I11-W22 HydrophobicContact CG2-CB 4.21Å; S20-W22 PolarHBondContact O-N 3.32Å; S20-W22 VanDerWaalsContact O-N 3.11Å; W22-V24 PolarHBondContact O-N 3.19Å; W22-T25 PolarHBondContact O-N 3Å; W22-F26 VanDerWaalsContact O-CB 3.28Å; W22-F26 WeakPolarHBondContact O-CB 3.43Å; W22-F26 PolarHBondContact O-N 3.44Å; W22-N54 HydrophobicContact CH2-CB 4.24Å |
| 23 | K | 89.4 | Confident | 80 | Confident | 123 Ų | 123 | 101.9 Ų | 101.9 | 54% | 0.535 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.5 | -47.5 | 178.3 | -71.2 | 172.8 | -171.1 | 166.9 | 0 | 111.8 | S20 F26 T27 | S20-K23 PolarHBondContact O-N 2.88Å; S20-K23 VanDerWaalsContact OG-CD 3.3Å; S20-K23 WeakPolarHBondContact OG-CD 3.44Å; S20-K23 VanDerWaalsContact OG-CG 3.29Å; S20-K23 WeakPolarHBondContact OG-CG 3.27Å; K23-F26 PolarHBondContact O-N 3.09Å; K23-T27 PolarHBondContact O-N 3.29Å; K23-T27 PolarHBondContact O-OG1 2.98Å; K23-T27 VanDerWaalsContact O-OG1 3.12Å |
| 24 | V | 90.7 | Very high | 81.5 | Confident | 62 Ų | 62 | 99 Ų | 99 | 38% | 0.376 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 179.3 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | P19 S20 W22 K28 | P19-V24 HydrophobicContact CB-CG2 4.24Å; P19-V24 HydrophobicContact CG-CG2 4.27Å; P19-V24 WeakPolarHBondContact O-CG2 3.33Å; S20-V24 PolarHBondContact O-N 3.18Å; W22-V24 PolarHBondContact O-N 3.19Å; V24-K28 HydrophobicContact CG1-CD 4.12Å; V24-K28 WeakPolarHBondContact O-CG 3.49Å; V24-K28 PolarHBondContact O-N 3.39Å |
| 25 | T | 92.1 | Very high | 83.3 | Confident | 38 Ų | 38 | 97 Ų | 97 | 23% | 0.233 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -69.1 | -41.2 | 178.5 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | I11 P21 W22 K28 R29 | I11-T25 HydrophobicContact CD1-CG2 3.71Å; P21-T25 WeakPolarHBondContact O-CB 3.07Å; P21-T25 PolarHBondContact O-N 3.37Å; P21-T25 PolarHBondContact O-OG1 2.64Å; W22-T25 PolarHBondContact O-N 3Å; T25-K28 PolarHBondContact O-N 3.04Å; T25-R29 HydrophobicContact CG2-CG 4.1Å; T25-R29 VanDerWaalsContact O-CB 3.3Å; T25-R29 WeakPolarHBondContact O-CB 3.46Å; T25-R29 WeakPolarHBondContact O-CG 3.4Å; T25-R29 PolarHBondContact O-N 3.35Å |
| 26 | F | 93.9 | Very high | 85.3 | Confident | 43 Ų | 43 | 94.9 Ų | 94.9 | 19% | 0.189 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -58.7 | -54.5 | 175.9 | 177.1 | -99.9 | 0 | 0 | 0 | 110.9 | W22 K23 K28 R29 K30 I52 N54 F60 | W22-F26 VanDerWaalsContact O-CB 3.28Å; W22-F26 WeakPolarHBondContact O-CB 3.43Å; W22-F26 PolarHBondContact O-N 3.44Å; K23-F26 PolarHBondContact O-N 3.09Å; F26-K28 VanDerWaalsContact C-N 3.33Å; F26-K28 PolarHBondContact O-N 2.95Å; F26-R29 PolarHBondContact O-N 3.48Å; F26-K30 HydrophobicContact CE1-CD 4.02Å; F26-K30 HydrophobicContact CZ-CD 4.05Å; F26-K30 WeakPolarHBondContact O-CB 3.32Å; F26-K30 PolarHBondContact O-N 3.48Å; F26-I52 HydrophobicContact CE2-CG2 3.95Å; F26-I52 HydrophobicContact CZ-CG2 4.1Å; F26-N54 HydrophobicContact CE2-CB 4.3Å; F26-N54 HydrophobicContact CZ-CB 4.04Å; F26-F60 HydrophobicContact CE1-CD2 4.09Å; F26-F60 AromaticContact CE1-CE2 3.74Å; F26-F60 HydrophobicContact CE1-CE2 3.74Å; F26-F60 AromaticContact CE1-CZ 3.98Å; F26-F60 HydrophobicContact CE1-CZ 3.98Å; F26-F60 AromaticContact CZ-CD2 3.79Å; F26-F60 HydrophobicContact CZ-CD2 3.79Å; F26-F60 AromaticContact CZ-CE2 3.78Å; F26-F60 HydrophobicContact CZ-CE2 3.78Å; F26-F60 HydrophobicContact CZ-CG 4.5Å; F26-F60 HydrophobicContact CZ-CZ 4.46Å |
| 27 | T | 95.2 | Very high | 87.8 | Confident | 88 Ų | 88 | 87.4 Ų | 87.4 | 54% | 0.54 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -56.2 | -45.7 | 179.7 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | K23 F31 | K23-T27 PolarHBondContact O-N 3.29Å; K23-T27 PolarHBondContact O-OG1 2.98Å; K23-T27 VanDerWaalsContact O-OG1 3.12Å; T27-F31 PolarHBondContact O-N 3.32Å; T27-F31 VanDerWaalsContact O-N 3.15Å |
| 28 | K | 94.8 | Very high | 90 | Very high | 157 Ų | 157 | 82.7 Ų | 82.7 | 68% | 0.683 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -70.4 | -40.5 | -179.5 | -68.4 | 179.7 | 69.5 | 166.4 | 0 | 113.2 | V24 T25 F26 G32 | V24-K28 HydrophobicContact CG1-CD 4.12Å; V24-K28 WeakPolarHBondContact O-CG 3.49Å; V24-K28 PolarHBondContact O-N 3.39Å; T25-K28 PolarHBondContact O-N 3.04Å; F26-K28 VanDerWaalsContact C-N 3.33Å; F26-K28 PolarHBondContact O-N 2.95Å; K28-G32 PolarHBondContact O-N 2.94Å |
| 29 | R | 97.3 | Very high | 92 | Very high | 137 Ų | 137 | 78.1 Ų | 78.1 | 52% | 0.517 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -70.3 | -41.3 | 177 | -75 | -172.5 | 174.9 | -166.4 | -4.2 | 111.8 | T25 F26 F31 G32 L33 | T25-R29 HydrophobicContact CG2-CG 4.1Å; T25-R29 VanDerWaalsContact O-CB 3.3Å; T25-R29 WeakPolarHBondContact O-CB 3.46Å; T25-R29 WeakPolarHBondContact O-CG 3.4Å; T25-R29 PolarHBondContact O-N 3.35Å; F26-R29 PolarHBondContact O-N 3.48Å; R29-F31 PolarHBondContact O-N 3.44Å; R29-G32 PolarHBondContact O-N 2.87Å; R29-L33 WeakPolarHBondContact O-CB 3.31Å; R29-L33 PolarHBondContact O-N 2.64Å |
| 30 | K | 97.8 | Very high | 93.8 | Very high | 45 Ų | 45 | 78 Ų | 78 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -56.9 | -49.7 | 175.7 | -169.7 | -173.4 | 77.8 | 71.1 | 0 | 111.1 | F26 L33 M34 I52 F60 | F26-K30 HydrophobicContact CE1-CD 4.02Å; F26-K30 HydrophobicContact CZ-CD 4.05Å; F26-K30 WeakPolarHBondContact O-CB 3.32Å; F26-K30 PolarHBondContact O-N 3.48Å; K30-L33 PolarHBondContact O-N 2.59Å; K30-M34 HydrophobicContact CD-CE 4.15Å; K30-M34 HydrophobicContact CD-SD 4.45Å; K30-M34 HydrophobicContact CG-CE 3.91Å; K30-M34 HydrophobicContact CG-SD 3.94Å; K30-M34 PolarHBondContact NZ-SD 2.92Å; K30-M34 WeakPolarHBondContact O-CB 3.43Å; K30-M34 VanDerWaalsContact O-CG 3.28Å; K30-M34 WeakPolarHBondContact O-CG 3.29Å; K30-M34 PolarHBondContact O-N 3.08Å; K30-I52 HydrophobicContact CG-CD1 3.92Å; K30-F60 HydrophobicContact CD-CB 3.81Å; K30-F60 HydrophobicContact CD-CD1 4.01Å; K30-F60 HydrophobicContact CD-CG 3.88Å |
| 31 | F | 98.3 | Very high | 95.1 | Very high | 147 Ų | 147 | 78.1 Ų | 78.1 | 65% | 0.645 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.9 | -41.5 | 177.1 | -175.1 | -99.7 | 0 | 0 | 0 | 112.5 | T27 R29 L33 M34 K35 | T27-F31 PolarHBondContact O-N 3.32Å; T27-F31 VanDerWaalsContact O-N 3.15Å; R29-F31 PolarHBondContact O-N 3.44Å; F31-L33 VanDerWaalsContact C-N 3.35Å; F31-L33 PolarHBondContact O-N 3.08Å; F31-M34 PolarHBondContact O-N 3.45Å; F31-K35 PolarHBondContact O-N 3.19Å |
| 32 | G | 98.4 | Very high | 96.1 | Very high | 35 Ų | 35 | 80.2 Ų | 80.2 | 36% | 0.361 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K28 R29 K36 | K28-G32 PolarHBondContact O-N 2.94Å; R29-G32 PolarHBondContact O-N 2.87Å; G32-K36 PolarHBondContact O-N 3.18Å; G32-K36 VanDerWaalsContact O-N 3.08Å |
| 33 | L | 98.6 | Very high | 96.8 | Very high | 92 Ų | 92 | 84 Ų | 84 | 48% | 0.482 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69 | -45.2 | 175.7 | -177.8 | 61.3 | 0 | 0 | 0 | 111.5 | R29 K30 F31 K35 K36 A37 L50 I52 | R29-L33 WeakPolarHBondContact O-CB 3.31Å; R29-L33 PolarHBondContact O-N 2.64Å; K30-L33 PolarHBondContact O-N 2.59Å; F31-L33 VanDerWaalsContact C-N 3.35Å; F31-L33 PolarHBondContact O-N 3.08Å; L33-K35 VanDerWaalsContact C-N 3.33Å; L33-K35 PolarHBondContact O-N 3.03Å; L33-K36 PolarHBondContact O-N 2.9Å; L33-K36 VanDerWaalsContact O-N 3.08Å; L33-A37 PolarHBondContact O-N 3.39Å; L33-L50 HydrophobicContact CD2-CD1 4.22Å; L33-L50 HydrophobicContact CD2-CD2 3.98Å; L33-L50 HydrophobicContact CG-CD2 3.89Å; L33-I52 HydrophobicContact CD2-CD1 4.34Å |
| 34 | M | 98.6 | Very high | 97.2 | Very high | 25 Ų | 25 | 82.1 Ų | 82.1 | 12% | 0.123 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.6 | -41.1 | 174.5 | -72.2 | 167.3 | 165.5 | 0 | 0 | 111.9 | K30 F31 K36 A37 Y38 L50 Q61 Y62 | K30-M34 HydrophobicContact CD-CE 4.15Å; K30-M34 HydrophobicContact CD-SD 4.45Å; K30-M34 HydrophobicContact CG-CE 3.91Å; K30-M34 HydrophobicContact CG-SD 3.94Å; K30-M34 PolarHBondContact NZ-SD 2.92Å; K30-M34 WeakPolarHBondContact O-CB 3.43Å; K30-M34 VanDerWaalsContact O-CG 3.28Å; K30-M34 WeakPolarHBondContact O-CG 3.29Å; K30-M34 PolarHBondContact O-N 3.08Å; F31-M34 PolarHBondContact O-N 3.45Å; M34-K36 VanDerWaalsContact C-N 3.33Å; M34-K36 PolarHBondContact O-N 2.88Å; M34-A37 PolarHBondContact O-N 2.91Å; M34-Y38 PolarHBondContact O-N 3.24Å; M34-L50 HydrophobicContact CG-CD2 4.16Å; M34-Q61 WeakPolarHBondContact CE-O 3.23Å; M34-Y62 HydrophobicContact CG-CG 4.34Å |
| 35 | K | 98.7 | Very high | 97.6 | Very high | 109 Ų | 109 | 86.8 Ų | 86.8 | 47% | 0.474 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64 | -36.2 | 173.6 | -168.1 | 176.1 | -167.1 | -75.5 | 0 | 112.3 | F31 L33 E39 | F31-K35 PolarHBondContact O-N 3.19Å; L33-K35 VanDerWaalsContact C-N 3.33Å; L33-K35 PolarHBondContact O-N 3.03Å; K35-E39 IonicContact NZ-OE1 2.72Å; K35-E39 PolarHBondContact NZ-OE1 3.03Å; K35-E39 WeakPolarHBondContact O-CB 3.48Å; K35-E39 VanDerWaalsContact O-CG 3.27Å; K35-E39 WeakPolarHBondContact O-CG 3.39Å; K35-E39 PolarHBondContact O-N 3.46Å |
| 36 | K | 98.7 | Very high | 97.8 | Very high | 133 Ų | 133 | 87.1 Ų | 87.1 | 58% | 0.578 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -72.4 | -35.2 | 176.9 | -82.5 | -74.2 | 166.1 | -159 | 0 | 113.3 | G32 L33 M34 E39 L40 | G32-K36 PolarHBondContact O-N 3.18Å; G32-K36 VanDerWaalsContact O-N 3.08Å; L33-K36 PolarHBondContact O-N 2.9Å; L33-K36 VanDerWaalsContact O-N 3.08Å; M34-K36 VanDerWaalsContact C-N 3.33Å; M34-K36 PolarHBondContact O-N 2.88Å; K36-E39 WeakPolarHBondContact CD-OE2 3.27Å; K36-E39 WeakPolarHBondContact CE-OE2 3.44Å; K36-E39 IonicContact NZ-OE2 2.71Å; K36-E39 PolarHBondContact NZ-OE2 3.48Å; K36-L40 WeakPolarHBondContact O-CB 3.25Å; K36-L40 PolarHBondContact O-N 3.49Å |
| 37 | A | 98.7 | Very high | 98 | Very high | 11 Ų | 11 | 89.3 Ų | 89.3 | 9% | 0.091 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -62.2 | -48.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L33 M34 E39 L40 S41 I48 Y62 | L33-A37 PolarHBondContact O-N 3.39Å; M34-A37 PolarHBondContact O-N 2.91Å; A37-E39 PolarHBondContact O-N 2.96Å; A37-L40 PolarHBondContact O-N 3.3Å; A37-S41 PolarHBondContact O-N 3.42Å; A37-S41 PolarHBondContact O-OG 2.99Å; A37-I48 HydrophobicContact CB-CG2 4.15Å; A37-Y62 HydrophobicContact CB-CD1 3.95Å; A37-Y62 HydrophobicContact CB-CE1 3.61Å |
| 38 | Y | 98.6 | Very high | 98.2 | Very high | 131 Ų | 131 | 86.7 Ų | 86.7 | 51% | 0.514 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -56.6 | -49.6 | 174.9 | 171.9 | -100 | 0 | 0 | 0 | 112.9 | M34 L40 S41 V42 Y62 | M34-Y38 PolarHBondContact O-N 3.24Å; Y38-L40 VanDerWaalsContact C-N 3.29Å; Y38-L40 PolarHBondContact O-N 2.82Å; Y38-S41 WeakPolarHBondContact CA-OG 3.14Å; Y38-S41 PolarHBondContact O-N 2.93Å; Y38-S41 PolarHBondContact O-OG 2.95Å; Y38-V42 HydrophobicContact CD2-CG2 4.12Å; Y38-V42 HydrophobicContact CE1-CG2 4.43Å; Y38-V42 HydrophobicContact CE2-CG2 3.68Å; Y38-V42 WeakPolarHBondContact O-CG2 3.47Å; Y38-V42 PolarHBondContact O-N 3.44Å; Y38-V42 VanDerWaalsContact O-N 3.09Å; Y38-Y62 VanDerWaalsContact CA-OH 3.32Å; Y38-Y62 WeakPolarHBondContact CA-OH 3.38Å; Y38-Y62 WeakPolarHBondContact CB-OH 3.18Å |
| 39 | E | 98.8 | Very high | 98.4 | Very high | 48 Ų | 48 | 81 Ų | 81 | 22% | 0.224 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -57 | -42.4 | 176.8 | -76.9 | 168.4 | -167.1 | 0 | 0 | 111.8 | K35 K36 A37 L43 | K35-E39 IonicContact NZ-OE1 2.72Å; K35-E39 PolarHBondContact NZ-OE1 3.03Å; K35-E39 WeakPolarHBondContact O-CB 3.48Å; K35-E39 VanDerWaalsContact O-CG 3.27Å; K35-E39 WeakPolarHBondContact O-CG 3.39Å; K35-E39 PolarHBondContact O-N 3.46Å; K36-E39 WeakPolarHBondContact CD-OE2 3.27Å; K36-E39 WeakPolarHBondContact CE-OE2 3.44Å; K36-E39 IonicContact NZ-OE2 2.71Å; K36-E39 PolarHBondContact NZ-OE2 3.48Å; A37-E39 PolarHBondContact O-N 2.96Å; E39-L43 VanDerWaalsContact O-CB 3.27Å; E39-L43 WeakPolarHBondContact O-CB 3.27Å; E39-L43 WeakPolarHBondContact O-CD1 3.24Å; E39-L43 WeakPolarHBondContact O-CG 3.19Å; E39-L43 PolarHBondContact O-N 3.11Å; E39-L43 VanDerWaalsContact O-N 3.07Å |
| 40 | L | 98.7 | Very high | 98.4 | Very high | 91 Ų | 91 | 76.1 Ų | 76.1 | 48% | 0.476 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.4 | -47 | 177.8 | -176.8 | 61.1 | 0 | 0 | 0 | 112.1 | K36 A37 Y38 V42 L43 C44 I48 | K36-L40 WeakPolarHBondContact O-CB 3.25Å; K36-L40 PolarHBondContact O-N 3.49Å; A37-L40 PolarHBondContact O-N 3.3Å; Y38-L40 VanDerWaalsContact C-N 3.29Å; Y38-L40 PolarHBondContact O-N 2.82Å; L40-V42 VanDerWaalsContact C-N 3.27Å; L40-V42 PolarHBondContact O-N 2.71Å; L40-L43 PolarHBondContact O-N 3.47Å; L40-C44 HydrophobicContact CD1-CB 4.34Å; L40-C44 PolarHBondContact O-N 3.05Å; L40-I48 HydrophobicContact CB-CD1 4.03Å; L40-I48 HydrophobicContact CD2-CD1 3.93Å; L40-I48 HydrophobicContact CG-CD1 4.01Å |
| 41 | S | 98.3 | Very high | 98.4 | Very high | 10 Ų | 10 | 77.9 Ų | 77.9 | 7% | 0.07 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.3 | -35.4 | -179.6 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | A37 Y38 D45 C46 S64 | A37-S41 PolarHBondContact O-N 3.42Å; A37-S41 PolarHBondContact O-OG 2.99Å; Y38-S41 WeakPolarHBondContact CA-OG 3.14Å; Y38-S41 PolarHBondContact O-N 2.93Å; Y38-S41 PolarHBondContact O-OG 2.95Å; S41-D45 WeakPolarHBondContact O-CA 3.43Å; S41-D45 PolarHBondContact O-N 3.23Å; S41-C46 WeakPolarHBondContact CA-O 3.32Å; S41-C46 WeakPolarHBondContact CB-O 3.39Å; S41-C46 PolarHBondContact O-N 3.24Å; S41-S64 VanDerWaalsContact CB-CB 3.42Å; S41-S64 WeakPolarHBondContact OG-CB 3.38Å |
| 42 | V | 98.4 | Very high | 98.4 | Very high | 94 Ų | 94 | 72.2 Ų | 72.2 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -81.6 | -34 | 179.2 | 175.7 | 0 | 0 | 0 | 0 | 112.3 | Y38 L40 | Y38-V42 HydrophobicContact CD2-CG2 4.12Å; Y38-V42 HydrophobicContact CE1-CG2 4.43Å; Y38-V42 HydrophobicContact CE2-CG2 3.68Å; Y38-V42 WeakPolarHBondContact O-CG2 3.47Å; Y38-V42 PolarHBondContact O-N 3.44Å; Y38-V42 VanDerWaalsContact O-N 3.09Å; L40-V42 VanDerWaalsContact C-N 3.27Å; L40-V42 PolarHBondContact O-N 2.71Å |
| 43 | L | 98.7 | Very high | 98.4 | Very high | 145 Ų | 145 | 76.9 Ų | 76.9 | 76% | 0.759 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -79.9 | -22.6 | -179 | -72.1 | 171.3 | 0 | 0 | 0 | 113.8 | E39 L40 | E39-L43 VanDerWaalsContact O-CB 3.27Å; E39-L43 WeakPolarHBondContact O-CB 3.27Å; E39-L43 WeakPolarHBondContact O-CD1 3.24Å; E39-L43 WeakPolarHBondContact O-CG 3.19Å; E39-L43 PolarHBondContact O-N 3.11Å; E39-L43 VanDerWaalsContact O-N 3.07Å; L40-L43 PolarHBondContact O-N 3.47Å |
| 44 | C | 98.6 | Very high | 98.2 | Very high | 84 Ų | 84 | 73.5 Ų | 73.5 | 57% | 0.568 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.9 | 11.7 | -174.2 | -60.4 | 0 | 0 | 0 | 0 | 113.8 | L40 C46 | L40-C44 HydrophobicContact CD1-CB 4.34Å; L40-C44 PolarHBondContact O-N 3.05Å; C44-C46 PolarHBondContact O-N 3.26Å |
| 45 | D | 98 | Very high | 97.8 | Very high | 160 Ų | 160 | 75.9 Ų | 75.9 | 86% | 0.856 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.6 | 57 | -178.6 | -162.3 | 25.2 | 0 | 0 | 0 | 113.3 | S41 | S41-D45 WeakPolarHBondContact O-CA 3.43Å; S41-D45 PolarHBondContact O-N 3.23Å |
| 46 | C | 97.8 | Very high | 97.6 | Very high | 45 Ų | 45 | 75 Ų | 75 | 30% | 0.304 | 40% | 0.401 | S | S | . | . | | | trans | -129.4 | 140.6 | -172.3 | 66.8 | 0 | 0 | 0 | 0 | 114.4 | S41 C44 S64 | S41-C46 WeakPolarHBondContact CA-O 3.32Å; S41-C46 WeakPolarHBondContact CB-O 3.39Å; S41-C46 PolarHBondContact O-N 3.24Å; C44-C46 PolarHBondContact O-N 3.26Å; C46-S64 PolarHBondContact O-OG 3.46Å |
| 47 | E | 97.9 | Very high | 97.4 | Very high | 89 Ų | 89 | 75.3 Ų | 75.3 | 42% | 0.416 | 41% | 0.409 | S | S | . | . | | | trans | -80.3 | 125 | 178.2 | -64.1 | -171.8 | 113.4 | 0 | 0 | 110.6 | T65 V70 K73 | E47-T65 PolarHBondContact OE1-OG1 2.81Å; E47-V70 HydrophobicContact CB-CG2 4.05Å; E47-K73 IonicContact OE2-NZ 2.64Å; E47-K73 PolarHBondContact OE2-NZ 2.69Å |
| 48 | I | 98.3 | Very high | 97.3 | Very high | 33 Ų | 33 | 82.4 Ų | 82.4 | 17% | 0.169 | 43% | 0.433 | C | S | . | . | | | trans | -132.5 | 121.2 | -176.4 | -58.2 | 177 | 0 | 0 | 0 | 109 | A37 L40 A63 S64 | A37-I48 HydrophobicContact CB-CG2 4.15Å; L40-I48 HydrophobicContact CB-CD1 4.03Å; L40-I48 HydrophobicContact CD2-CD1 3.93Å; L40-I48 HydrophobicContact CG-CD1 4.01Å; I48-A63 CarbonylContact O-C 3.52Å; I48-A63 VanDerWaalsContact O-CA 3.27Å; I48-A63 WeakPolarHBondContact O-CA 3.48Å; I48-S64 PolarHBondContact N-OG 3.31Å; I48-S64 PolarHBondContact O-N 3.29Å |
| 49 | A | 98.4 | Very high | 97.3 | Very high | 37 Ų | 37 | 80 Ų | 80 | 31% | 0.306 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 143.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | M67 V70 | A49-M67 HydrophobicContact CB-CE 4.33Å; A49-M67 HydrophobicContact CB-SD 3.97Å; A49-V70 HydrophobicContact CB-CB 4.15Å; A49-V70 HydrophobicContact CB-CG1 3.6Å |
| 50 | L | 98.5 | Very high | 97.3 | Very high | 34 Ų | 34 | 80.2 Ų | 80.2 | 18% | 0.178 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 117.1 | 179 | 173.8 | 62.4 | 0 | 0 | 0 | 109.8 | L33 M34 I52 Q61 Y62 | L33-L50 HydrophobicContact CD2-CD1 4.22Å; L33-L50 HydrophobicContact CD2-CD2 3.98Å; L33-L50 HydrophobicContact CG-CD2 3.89Å; M34-L50 HydrophobicContact CG-CD2 4.16Å; L50-I52 HydrophobicContact CD1-CD1 4.32Å; L50-I52 HydrophobicContact CD1-CG1 4.12Å; L50-I52 HydrophobicContact CD2-CD1 4.16Å; L50-I52 HydrophobicContact CG-CD1 4.15Å; L50-I52 HydrophobicContact CG-CG1 4.19Å; L50-Q61 CarbonylContact O-C 3.53Å; L50-Q61 VanDerWaalsContact O-CA 3.28Å; L50-Q61 WeakPolarHBondContact O-CA 3.36Å; L50-Y62 HydrophobicContact CB-CD1 4.36Å; L50-Y62 PolarHBondContact N-O 2.86Å; L50-Y62 PolarHBondContact O-N 3.2Å |
| 51 | I | 98.4 | Very high | 97.2 | Very high | 82 Ų | 82 | 80.7 Ų | 80.7 | 42% | 0.421 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.3 | 179.4 | -67.2 | 174.5 | 0 | 0 | 0 | 109 | F53 L59 M67 L71 | I51-F53 HydrophobicContact CG2-CD2 4.01Å; I51-F53 HydrophobicContact CG2-CE2 3.56Å; I51-F53 HydrophobicContact CG2-CZ 4.29Å; I51-L59 HydrophobicContact CG2-CD1 3.8Å; I51-M67 HydrophobicContact CD1-SD 4.45Å; I51-M67 HydrophobicContact CG1-SD 4.37Å; I51-L71 HydrophobicContact CD1-CD2 4.23Å |
| 52 | I | 98.4 | Very high | 97.3 | Very high | 29 Ų | 29 | 82.3 Ų | 82.3 | 15% | 0.149 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 110 | -179.7 | -57.7 | 171.2 | 0 | 0 | 0 | 109.2 | F26 K30 L33 L50 F60 | F26-I52 HydrophobicContact CE2-CG2 3.95Å; F26-I52 HydrophobicContact CZ-CG2 4.1Å; K30-I52 HydrophobicContact CG-CD1 3.92Å; L33-I52 HydrophobicContact CD2-CD1 4.34Å; L50-I52 HydrophobicContact CD1-CD1 4.32Å; L50-I52 HydrophobicContact CD1-CG1 4.12Å; L50-I52 HydrophobicContact CD2-CD1 4.16Å; L50-I52 HydrophobicContact CG-CD1 4.15Å; L50-I52 HydrophobicContact CG-CG1 4.19Å; I52-F60 HydrophobicContact CB-CB 4.46Å; I52-F60 PolarHBondContact N-O 2.72Å; I52-F60 PolarHBondContact O-N 2.71Å |
| 53 | F | 97.9 | Very high | 97.3 | Very high | 133 Ų | 133 | 78.9 Ų | 78.9 | 58% | 0.583 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 137.5 | 163.4 | -65.1 | -82.1 | 0 | 0 | 0 | 110 | I51 L59 | I51-F53 HydrophobicContact CG2-CD2 4.01Å; I51-F53 HydrophobicContact CG2-CE2 3.56Å; I51-F53 HydrophobicContact CG2-CZ 4.29Å; F53-L59 HydrophobicContact CD1-CB 4.25Å; F53-L59 HydrophobicContact CD1-CD1 4.48Å; F53-L59 HydrophobicContact CE1-CB 3.89Å; F53-L59 HydrophobicContact CE1-CD1 4Å; F53-L59 HydrophobicContact CE1-CG 4.44Å; F53-L59 HydrophobicContact CE2-CD1 4.37Å; F53-L59 HydrophobicContact CZ-CD1 3.94Å |
| 54 | N | 94.1 | Very high | 97.2 | Very high | 21 Ų | 21 | 73.8 Ų | 73.8 | 11% | 0.112 | 39% | 0.392 | C | S | . | . | | | trans | -91.9 | 176.7 | 170.3 | 82.6 | -16.4 | 0 | 0 | 0 | 111.4 | W22 F26 T56 N57 R58 F60 | W22-N54 HydrophobicContact CH2-CB 4.24Å; F26-N54 HydrophobicContact CE2-CB 4.3Å; F26-N54 HydrophobicContact CZ-CB 4.04Å; N54-T56 PolarHBondContact ND2-OG1 2.97Å; N54-T56 PolarHBondContact O-N 3.39Å; N54-T56 VanDerWaalsContact OD1-C 3.29Å; N54-T56 WeakPolarHBondContact OD1-CA 3.49Å; N54-T56 PolarHBondContact OD1-N 3.48Å; N54-T56 PolarHBondContact OD1-OG1 3.46Å; N54-N57 PolarHBondContact O-N 3.4Å; N54-N57 PolarHBondContact OD1-N 2.86Å; N54-R58 PolarHBondContact N-O 3.15Å; N54-R58 VanDerWaalsContact N-O 3.14Å; N54-R58 WeakPolarHBondContact OD1-CB 3.44Å; N54-R58 PolarHBondContact OD1-N 2.83Å; N54-F60 HydrophobicContact CB-CE2 4.14Å |
| 55 | S | 91 | Very high | 97.1 | Very high | 75 Ų | 75 | 74 Ų | 74 | 52% | 0.524 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 6.8 | 178.2 | 65.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 56 | T | 93.3 | Very high | 97.1 | Very high | 90 Ų | 90 | 68.9 Ų | 68.9 | 55% | 0.552 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.5 | 25.4 | 169.7 | 65.9 | 0 | 0 | 0 | 0 | 110.3 | N54 R58 | N54-T56 PolarHBondContact ND2-OG1 2.97Å; N54-T56 PolarHBondContact O-N 3.39Å; N54-T56 VanDerWaalsContact OD1-C 3.29Å; N54-T56 WeakPolarHBondContact OD1-CA 3.49Å; N54-T56 PolarHBondContact OD1-N 3.48Å; N54-T56 PolarHBondContact OD1-OG1 3.46Å; T56-R58 PolarHBondContact O-N 2.87Å |
| 57 | N | 95.1 | Very high | 97.1 | Very high | 140 Ų | 140 | 67.5 Ų | 67.5 | 75% | 0.749 | 35% | 0.353 | S | S | * | . | | | trans | 50.3 | 23.6 | -178.5 | -60.1 | -11.9 | 0 | 0 | 0 | 115.3 | N54 L59 | N54-N57 PolarHBondContact O-N 3.4Å; N54-N57 PolarHBondContact OD1-N 2.86Å; N57-L59 PolarHBondContact O-N 3.49Å |
| 58 | R | 96.6 | Very high | 97.1 | Very high | 160 Ų | 160 | 69 Ų | 69 | 60% | 0.604 | 36% | 0.364 | S | S | * | . | | | trans | -80.2 | 121.9 | 173.5 | -67.3 | -176.2 | 63.5 | -176.6 | 0.2 | 109.4 | N54 T56 F60 | N54-R58 PolarHBondContact N-O 3.15Å; N54-R58 VanDerWaalsContact N-O 3.14Å; N54-R58 WeakPolarHBondContact OD1-CB 3.44Å; N54-R58 PolarHBondContact OD1-N 2.83Å; T56-R58 PolarHBondContact O-N 2.87Å; R58-F60 HydrophobicContact CB-CE2 3.96Å; R58-F60 HydrophobicContact CB-CZ 4.37Å; R58-F60 WeakPolarHBondContact O-CD2 3.39Å; R58-F60 WeakPolarHBondContact O-CE2 3.28Å |
| 59 | L | 97.9 | Very high | 97.1 | Very high | 81 Ų | 81 | 73.8 Ų | 73.8 | 42% | 0.424 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 137.1 | 171.8 | 178.1 | 58.6 | 0 | 0 | 0 | 111.1 | I51 F53 N57 Q61 | I51-L59 HydrophobicContact CG2-CD1 3.8Å; F53-L59 HydrophobicContact CD1-CB 4.25Å; F53-L59 HydrophobicContact CD1-CD1 4.48Å; F53-L59 HydrophobicContact CE1-CB 3.89Å; F53-L59 HydrophobicContact CE1-CD1 4Å; F53-L59 HydrophobicContact CE1-CG 4.44Å; F53-L59 HydrophobicContact CE2-CD1 4.37Å; F53-L59 HydrophobicContact CZ-CD1 3.94Å; N57-L59 PolarHBondContact O-N 3.49Å; L59-Q61 HydrophobicContact CD1-CB 4.42Å |
| 60 | F | 98.3 | Very high | 97 | Very high | 51 Ų | 51 | 72.9 Ų | 72.9 | 22% | 0.224 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 128.1 | 161.6 | -55.7 | -95.6 | 0 | 0 | 0 | 107.4 | F26 K30 I52 N54 R58 | F26-F60 HydrophobicContact CE1-CD2 4.09Å; F26-F60 AromaticContact CE1-CE2 3.74Å; F26-F60 HydrophobicContact CE1-CE2 3.74Å; F26-F60 AromaticContact CE1-CZ 3.98Å; F26-F60 HydrophobicContact CE1-CZ 3.98Å; F26-F60 AromaticContact CZ-CD2 3.79Å; F26-F60 HydrophobicContact CZ-CD2 3.79Å; F26-F60 AromaticContact CZ-CE2 3.78Å; F26-F60 HydrophobicContact CZ-CE2 3.78Å; F26-F60 HydrophobicContact CZ-CG 4.5Å; F26-F60 HydrophobicContact CZ-CZ 4.46Å; K30-F60 HydrophobicContact CD-CB 3.81Å; K30-F60 HydrophobicContact CD-CD1 4.01Å; K30-F60 HydrophobicContact CD-CG 3.88Å; I52-F60 HydrophobicContact CB-CB 4.46Å; I52-F60 PolarHBondContact N-O 2.72Å; I52-F60 PolarHBondContact O-N 2.71Å; N54-F60 HydrophobicContact CB-CE2 4.14Å; R58-F60 HydrophobicContact CB-CE2 3.96Å; R58-F60 HydrophobicContact CB-CZ 4.37Å; R58-F60 WeakPolarHBondContact O-CD2 3.39Å; R58-F60 WeakPolarHBondContact O-CE2 3.28Å |
| 61 | Q | 98.3 | Very high | 97 | Very high | 101 Ų | 101 | 74.5 Ų | 74.5 | 47% | 0.472 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 163.4 | -175.5 | 82.3 | -164 | 52.1 | 0 | 0 | 112.7 | M34 L50 L59 M67 | M34-Q61 WeakPolarHBondContact CE-O 3.23Å; L50-Q61 CarbonylContact O-C 3.53Å; L50-Q61 VanDerWaalsContact O-CA 3.28Å; L50-Q61 WeakPolarHBondContact O-CA 3.36Å; L59-Q61 HydrophobicContact CD1-CB 4.42Å; Q61-M67 HydrophobicContact CB-CE 3.73Å; Q61-M67 HydrophobicContact CG-CE 3.89Å |
| 62 | Y | 98.6 | Very high | 96.9 | Very high | 44 Ų | 44 | 75.5 Ų | 75.5 | 17% | 0.173 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 140.6 | 169.4 | 165.9 | -94.4 | 0 | 0 | 0 | 109 | M34 A37 Y38 L50 S64 M67 | M34-Y62 HydrophobicContact CG-CG 4.34Å; A37-Y62 HydrophobicContact CB-CD1 3.95Å; A37-Y62 HydrophobicContact CB-CE1 3.61Å; Y38-Y62 VanDerWaalsContact CA-OH 3.32Å; Y38-Y62 WeakPolarHBondContact CA-OH 3.38Å; Y38-Y62 WeakPolarHBondContact CB-OH 3.18Å; L50-Y62 HydrophobicContact CB-CD1 4.36Å; L50-Y62 PolarHBondContact N-O 2.86Å; L50-Y62 PolarHBondContact O-N 3.2Å; Y62-S64 WeakPolarHBondContact OH-CA 3.28Å; Y62-M67 WeakPolarHBondContact O-CE 3.42Å |
| 63 | A | 98.4 | Very high | 96.8 | Very high | 23 Ų | 23 | 78 Ų | 78 | 19% | 0.19 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 150.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | I48 M67 | I48-A63 CarbonylContact O-C 3.52Å; I48-A63 VanDerWaalsContact O-CA 3.27Å; I48-A63 WeakPolarHBondContact O-CA 3.48Å; A63-M67 HydrophobicContact CB-CB 4.37Å; A63-M67 HydrophobicContact CB-CE 4.14Å |
| 64 | S | 97.9 | Very high | 96.8 | Very high | 37 Ų | 37 | 79.7 Ų | 79.7 | 26% | 0.259 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -74.6 | -31.5 | 170.9 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | S41 C46 I48 Y62 | S41-S64 VanDerWaalsContact CB-CB 3.42Å; S41-S64 WeakPolarHBondContact OG-CB 3.38Å; C46-S64 PolarHBondContact O-OG 3.46Å; I48-S64 PolarHBondContact N-OG 3.31Å; I48-S64 PolarHBondContact O-N 3.29Å; Y62-S64 WeakPolarHBondContact OH-CA 3.28Å |
| 65 | T | 96.8 | Very high | 96.8 | Very high | 89 Ų | 89 | 83.6 Ų | 83.6 | 55% | 0.546 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -116.1 | -74.4 | 176.1 | 50.7 | 0 | 0 | 0 | 0 | 111.2 | E47 | E47-T65 PolarHBondContact OE1-OG1 2.81Š|
| 66 | D | 97.3 | Very high | 97 | Very high | 53 Ų | 53 | 86.4 Ų | 86.4 | 28% | 0.283 | 43% | 0.431 | S | S | . | . | | | trans | -152.9 | 133.7 | -171.4 | -173.7 | -42.9 | 0 | 0 | 0 | 108.5 | D68 K69 V70 | D66-D68 PolarHBondContact OD1-N 3.45Å; D66-K69 HydrophobicContact CB-CB 4.06Å; D66-K69 HydrophobicContact CB-CD 3.74Å; D66-K69 HydrophobicContact CB-CG 3.91Å; D66-K69 PolarHBondContact OD1-N 3.12Å; D66-K69 WeakPolarHBondContact OD2-CE 3.35Å; D66-K69 IonicContact OD2-NZ 3.12Å; D66-K69 PolarHBondContact OD2-NZ 2.9Å; D66-K69 VanDerWaalsContact OD2-NZ 3.12Å; D66-V70 WeakPolarHBondContact O-CG2 3.41Å; D66-V70 PolarHBondContact O-N 3.36Å |
| 67 | M | 98.2 | Very high | 97 | Very high | 16 Ų | 16 | 89.7 Ų | 89.7 | 8% | 0.079 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -68.7 | -44.5 | -175.6 | -178.7 | 61.5 | 59.3 | 0 | 0 | 111.4 | A49 I51 Q61 Y62 A63 K69 V70 L71 | A49-M67 HydrophobicContact CB-CE 4.33Å; A49-M67 HydrophobicContact CB-SD 3.97Å; I51-M67 HydrophobicContact CD1-SD 4.45Å; I51-M67 HydrophobicContact CG1-SD 4.37Å; Q61-M67 HydrophobicContact CB-CE 3.73Å; Q61-M67 HydrophobicContact CG-CE 3.89Å; Y62-M67 WeakPolarHBondContact O-CE 3.42Å; A63-M67 HydrophobicContact CB-CB 4.37Å; A63-M67 HydrophobicContact CB-CE 4.14Å; M67-K69 VanDerWaalsContact C-N 3.34Å; M67-K69 PolarHBondContact O-N 2.97Å; M67-V70 PolarHBondContact O-N 3.42Å; M67-L71 HydrophobicContact CG-CD1 3.77Å; M67-L71 HydrophobicContact CG-CG 4.31Å; M67-L71 WeakPolarHBondContact O-CB 3.39Å; M67-L71 VanDerWaalsContact O-CG 3.31Å; M67-L71 WeakPolarHBondContact O-CG 3.3Å; M67-L71 PolarHBondContact O-N 3.02Å; M67-L71 HydrophobicContact SD-CD1 3.83Å; M67-L71 HydrophobicContact SD-CG 3.97Å |
| 68 | D | 97.7 | Very high | 96.3 | Very high | 121 Ų | 121 | 88.9 Ų | 88.9 | 65% | 0.647 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -74.9 | -32.2 | -169.5 | -59.8 | -22.4 | 0 | 0 | 0 | 110 | D66 L72 | D66-D68 PolarHBondContact OD1-N 3.45Å; D68-L72 VanDerWaalsContact O-CB 3.23Å; D68-L72 WeakPolarHBondContact O-CB 3.47Å; D68-L72 PolarHBondContact O-N 2.79Å |
| 69 | K | 97.5 | Very high | 96.1 | Very high | 132 Ų | 132 | 88.8 Ų | 88.8 | 57% | 0.574 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66.1 | -45.2 | 172.1 | -61.3 | -180 | -168.8 | 151.7 | 0 | 112.6 | D66 M67 L71 L72 K73 | D66-K69 HydrophobicContact CB-CB 4.06Å; D66-K69 HydrophobicContact CB-CD 3.74Å; D66-K69 HydrophobicContact CB-CG 3.91Å; D66-K69 PolarHBondContact OD1-N 3.12Å; D66-K69 WeakPolarHBondContact OD2-CE 3.35Å; D66-K69 IonicContact OD2-NZ 3.12Å; D66-K69 PolarHBondContact OD2-NZ 2.9Å; D66-K69 VanDerWaalsContact OD2-NZ 3.12Å; M67-K69 VanDerWaalsContact C-N 3.34Å; M67-K69 PolarHBondContact O-N 2.97Å; K69-L71 VanDerWaalsContact C-N 3.34Å; K69-L72 PolarHBondContact O-N 3.14Å; K69-K73 VanDerWaalsContact O-CB 3.29Å; K69-K73 WeakPolarHBondContact O-CB 3.43Å; K69-K73 PolarHBondContact O-N 2.98Å |
| 70 | V | 97.7 | Very high | 95.9 | Very high | 19 Ų | 19 | 88.8 Ų | 88.8 | 12% | 0.115 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -70.7 | -32.9 | -179.9 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | E47 A49 D66 M67 Y74 | E47-V70 HydrophobicContact CB-CG2 4.05Å; A49-V70 HydrophobicContact CB-CB 4.15Å; A49-V70 HydrophobicContact CB-CG1 3.6Å; D66-V70 WeakPolarHBondContact O-CG2 3.41Å; D66-V70 PolarHBondContact O-N 3.36Å; M67-V70 PolarHBondContact O-N 3.42Å; V70-Y74 WeakPolarHBondContact O-CB 3.28Å; V70-Y74 PolarHBondContact O-N 2.87Å |
| 71 | L | 97.4 | Very high | 95.7 | Very high | 68 Ų | 68 | 96 Ų | 96 | 36% | 0.356 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.2 | -41.1 | 172.7 | -70.5 | 177 | 0 | 0 | 0 | 112.9 | I51 M67 K69 Y74 T75 | I51-L71 HydrophobicContact CD1-CD2 4.23Å; M67-L71 HydrophobicContact CG-CD1 3.77Å; M67-L71 HydrophobicContact CG-CG 4.31Å; M67-L71 WeakPolarHBondContact O-CB 3.39Å; M67-L71 VanDerWaalsContact O-CG 3.31Å; M67-L71 WeakPolarHBondContact O-CG 3.3Å; M67-L71 PolarHBondContact O-N 3.02Å; M67-L71 HydrophobicContact SD-CD1 3.83Å; M67-L71 HydrophobicContact SD-CG 3.97Å; K69-L71 VanDerWaalsContact C-N 3.34Å; L71-Y74 WeakPolarHBondContact O-CB 3.17Å; L71-Y74 PolarHBondContact O-N 3.25Å; L71-T75 PolarHBondContact O-N 3Å; L71-T75 PolarHBondContact O-OG1 2.97Å |
| 72 | L | 97 | Very high | 95.5 | Very high | 102 Ų | 102 | 97.1 Ų | 97.1 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.9 | -50.6 | 173.8 | 178.6 | 61.8 | 0 | 0 | 0 | 110.5 | D68 K69 Y74 T75 E76 | D68-L72 VanDerWaalsContact O-CB 3.23Å; D68-L72 WeakPolarHBondContact O-CB 3.47Å; D68-L72 PolarHBondContact O-N 2.79Å; K69-L72 PolarHBondContact O-N 3.14Å; L72-Y74 VanDerWaalsContact C-N 3.27Å; L72-Y74 PolarHBondContact O-N 3.4Å; L72-T75 WeakPolarHBondContact O-CA 3.35Å; L72-T75 PolarHBondContact O-N 3.25Å; L72-T75 PolarHBondContact O-OG1 3.27Å; L72-E76 WeakPolarHBondContact O-CG 3.3Å; L72-E76 PolarHBondContact O-N 2.97Å; L72-E76 VanDerWaalsContact O-N 3.11Å |
| 73 | K | 96.3 | Very high | 95.3 | Very high | 83 Ų | 83 | 99 Ų | 99 | 36% | 0.361 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -55.8 | -40.7 | 173.9 | -168.7 | -175.6 | -168.8 | -176.5 | 0 | 112 | E47 K69 T75 E76 Y77 | E47-K73 IonicContact OE2-NZ 2.64Å; E47-K73 PolarHBondContact OE2-NZ 2.69Å; K69-K73 VanDerWaalsContact O-CB 3.29Å; K69-K73 WeakPolarHBondContact O-CB 3.43Å; K69-K73 PolarHBondContact O-N 2.98Å; K73-T75 VanDerWaalsContact C-N 3.32Å; K73-T75 PolarHBondContact O-N 2.93Å; K73-E76 PolarHBondContact O-N 2.97Å; K73-Y77 HydrophobicContact CG-CE2 4.13Å; K73-Y77 VanDerWaalsContact O-CD2 3.24Å; K73-Y77 WeakPolarHBondContact O-CD2 3.29Å |
| 74 | Y | 96.4 | Very high | 95.2 | Very high | 167 Ų | 167 | 104.7 Ų | 104.7 | 66% | 0.655 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.8 | -37.9 | 174.5 | 174.8 | -92 | 0 | 0 | 0 | 112.4 | V70 L71 L72 E76 Y77 | V70-Y74 WeakPolarHBondContact O-CB 3.28Å; V70-Y74 PolarHBondContact O-N 2.87Å; L71-Y74 WeakPolarHBondContact O-CB 3.17Å; L71-Y74 PolarHBondContact O-N 3.25Å; L72-Y74 VanDerWaalsContact C-N 3.27Å; L72-Y74 PolarHBondContact O-N 3.4Å; Y74-E76 VanDerWaalsContact C-N 3.32Å; Y74-E76 PolarHBondContact O-N 3.31Å; Y74-Y77 PolarHBondContact O-N 2.78Å |
| 75 | T | 95.7 | Very high | 95.2 | Very high | 104 Ų | 104 | 106.2 Ų | 106.2 | 64% | 0.638 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -75 | -16 | 176.5 | 55 | 0 | 0 | 0 | 0 | 114.9 | L71 L72 K73 | L71-T75 PolarHBondContact O-N 3Å; L71-T75 PolarHBondContact O-OG1 2.97Å; L72-T75 WeakPolarHBondContact O-CA 3.35Å; L72-T75 PolarHBondContact O-N 3.25Å; L72-T75 PolarHBondContact O-OG1 3.27Å; K73-T75 VanDerWaalsContact C-N 3.32Å; K73-T75 PolarHBondContact O-N 2.93Å |
| 76 | E | 95.3 | Very high | 95.1 | Very high | 133 Ų | 133 | 108.8 Ų | 108.8 | 62% | 0.621 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -79.8 | -20.1 | 175 | -69.5 | 167.8 | 177.6 | 0 | 0 | 112.8 | L72 K73 Y74 | L72-E76 WeakPolarHBondContact O-CG 3.3Å; L72-E76 PolarHBondContact O-N 2.97Å; L72-E76 VanDerWaalsContact O-N 3.11Å; K73-E76 PolarHBondContact O-N 2.97Å; Y74-E76 VanDerWaalsContact C-N 3.32Å; Y74-E76 PolarHBondContact O-N 3.31Å |
| 77 | Y | 92.1 | Very high | 95.1 | Very high | 160 Ų | 160 | 111 Ų | 111 | 63% | 0.627 | 56% | 0.56 | S | S | * | * | | | trans | -94.8 | 123.9 | 179.1 | -78.9 | -115.8 | 0 | 0 | 0 | 110.6 | K73 Y74 | K73-Y77 HydrophobicContact CG-CE2 4.13Å; K73-Y77 VanDerWaalsContact O-CD2 3.24Å; K73-Y77 WeakPolarHBondContact O-CD2 3.29Å; Y74-Y77 PolarHBondContact O-N 2.78Å |
| 78 | S | 81.8 | Confident | 95 | Very high | 123 Ų | 123 | 112.7 Ų | 112.7 | 86% | 0.86 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -70.7 | -34.4 | -178.4 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 79 | E | 91.6 | Very high | 94.8 | Very high | 158 Ų | 158 | 111.4 Ų | 111.4 | 74% | 0.738 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -142.5 | 138.2 | -176.7 | -62.8 | -173.4 | 144.3 | 0 | 0 | 111 | | |
| 80 | P | 93.4 | Very high | 94.6 | Very high | 81 Ų | 81 | 110.1 Ų | 110.1 | 53% | 0.526 | 56% | 0.561 | S | S | . | * | | | trans | -79.6 | 136.8 | 175.6 | 32.2 | -34.3 | 0 | 0 | 0 | 111.6 | E82 | P80-E82 VanDerWaalsContact C-N 3.31Å; P80-E82 PolarHBondContact O-N 3.11Å |
| 81 | H | 93.4 | Very high | 94.4 | Very high | 202 Ų | 202 | 113.5 Ų | 113.5 | 94% | 0.935 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -62 | -35.6 | 178 | -179.5 | 65.5 | 0 | 0 | 0 | 113.5 | | |
| 82 | E | 95.4 | Very high | 94 | Very high | 125 Ų | 125 | 114.5 Ų | 114.5 | 58% | 0.584 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -134.7 | 133.2 | 167.5 | -177.5 | 174.1 | -162 | 0 | 0 | 108.8 | P80 R84 | P80-E82 VanDerWaalsContact C-N 3.31Å; P80-E82 PolarHBondContact O-N 3.11Å; E82-R84 HydrophobicContact CG-CG 4.19Å; E82-R84 IonicContact OE1-CZ 3.14Å; E82-R84 IonicContact OE1-NE 2.68Å; E82-R84 PolarHBondContact OE1-NE 3.22Å; E82-R84 IonicContact OE1-NH2 2.75Å; E82-R84 PolarHBondContact OE1-NH2 2.67Å |
| 83 | S | 94.6 | Very high | 93.6 | Very high | 83 Ų | 83 | 113.5 Ų | 113.5 | 58% | 0.58 | 58% | 0.577 | S | S | * | * | | | trans | -122.9 | 138.9 | 171.9 | -173.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 84 | R | 95.9 | Very high | 93.1 | Very high | 142 Ų | 142 | 114.7 Ų | 114.7 | 54% | 0.536 | 59% | 0.586 | S | S | . | * | | | trans | -142.1 | 136.1 | -178.7 | -65.6 | -64.2 | -179.2 | -159.8 | -7.6 | 110.9 | E82 | E82-R84 HydrophobicContact CG-CG 4.19Å; E82-R84 IonicContact OE1-CZ 3.14Å; E82-R84 IonicContact OE1-NE 2.68Å; E82-R84 PolarHBondContact OE1-NE 3.22Å; E82-R84 IonicContact OE1-NH2 2.75Å; E82-R84 PolarHBondContact OE1-NH2 2.67Å |
| 85 | T | 97.5 | Very high | 92.6 | Very high | 70 Ų | 70 | 114.5 Ų | 114.5 | 43% | 0.429 | 58% | 0.584 | S | S | . | * | | | trans | -119.4 | 179.9 | 176.9 | 77.8 | 0 | 0 | 0 | 0 | 110.9 | T87 D88 I89 | T85-T87 PolarHBondContact O-N 3.21Å; T85-T87 PolarHBondContact OG1-N 3.03Å; T85-T87 PolarHBondContact OG1-OG1 3.43Å; T85-D88 WeakPolarHBondContact CA-OD2 2.94Å; T85-D88 WeakPolarHBondContact CB-OD2 2.86Å; T85-D88 PolarHBondContact N-OD2 2.98Å; T85-D88 PolarHBondContact O-N 3.04Å; T85-D88 PolarHBondContact OG1-OD2 2.69Å; T85-I89 WeakPolarHBondContact O-CG1 3.38Å; T85-I89 PolarHBondContact O-N 3.33Å |
| 86 | N | 95.8 | Very high | 91.9 | Very high | 143 Ų | 143 | 118.8 Ų | 118.8 | 77% | 0.765 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.4 | -27.2 | 177.7 | -69.3 | -40.4 | 0 | 0 | 0 | 113.3 | L90 | N86-L90 VanDerWaalsContact O-CB 3.29Å; N86-L90 WeakPolarHBondContact O-CB 3.31Å; N86-L90 PolarHBondContact O-N 3.2Å; N86-L90 VanDerWaalsContact O-N 3.13Å |
| 87 | T | 96.3 | Very high | 91.1 | Very high | 99 Ų | 99 | 120.8 Ų | 120.8 | 61% | 0.607 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.1 | -44.7 | 177.3 | 43.6 | 0 | 0 | 0 | 0 | 111.2 | T85 I89 L90 E91 | T85-T87 PolarHBondContact O-N 3.21Å; T85-T87 PolarHBondContact OG1-N 3.03Å; T85-T87 PolarHBondContact OG1-OG1 3.43Å; T87-I89 VanDerWaalsContact C-N 3.31Å; T87-I89 PolarHBondContact O-N 3.13Å; T87-L90 PolarHBondContact O-N 2.89Å; T87-E91 WeakPolarHBondContact O-CB 3.45Å; T87-E91 PolarHBondContact O-N 3.5Å |
| 88 | D | 95.2 | Very high | 89.5 | Confident | 51 Ų | 51 | 116 Ų | 116 | 27% | 0.273 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.1 | -43.6 | 177.8 | -50.1 | -86.9 | 0 | 0 | 0 | 111.8 | T85 E91 Q92 | T85-D88 WeakPolarHBondContact CA-OD2 2.94Å; T85-D88 WeakPolarHBondContact CB-OD2 2.86Å; T85-D88 PolarHBondContact N-OD2 2.98Å; T85-D88 PolarHBondContact O-N 3.04Å; T85-D88 PolarHBondContact OG1-OD2 2.69Å; D88-E91 PolarHBondContact O-N 2.83Å; D88-Q92 VanDerWaalsContact O-CB 3.28Å; D88-Q92 WeakPolarHBondContact O-CB 3.29Å; D88-Q92 PolarHBondContact O-N 3.13Å |
| 89 | I | 94.7 | Very high | 88.1 | Confident | 94 Ų | 94 | 118.6 Ų | 118.6 | 48% | 0.482 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.3 | -40.5 | 179.6 | -64.4 | 166.7 | 0 | 0 | 0 | 110.6 | T85 T87 T93 | T85-I89 WeakPolarHBondContact O-CG1 3.38Å; T85-I89 PolarHBondContact O-N 3.33Å; T87-I89 VanDerWaalsContact C-N 3.31Å; T87-I89 PolarHBondContact O-N 3.13Å; I89-T93 VanDerWaalsContact O-CB 3.29Å; I89-T93 WeakPolarHBondContact O-CB 3.42Å; I89-T93 PolarHBondContact O-N 3.28Å; I89-T93 PolarHBondContact O-OG1 2.91Å |
| 90 | L | 93.2 | Very high | 86.3 | Confident | 105 Ų | 105 | 114 Ų | 114 | 55% | 0.55 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.3 | -46.9 | 176.3 | 178.7 | 60.2 | 0 | 0 | 0 | 111.2 | N86 T87 T93 L94 | N86-L90 VanDerWaalsContact O-CB 3.29Å; N86-L90 WeakPolarHBondContact O-CB 3.31Å; N86-L90 PolarHBondContact O-N 3.2Å; N86-L90 VanDerWaalsContact O-N 3.13Å; T87-L90 PolarHBondContact O-N 2.89Å; L90-T93 WeakPolarHBondContact O-CB 3.28Å; L90-T93 PolarHBondContact O-N 3.37Å; L90-L94 HydrophobicContact CD1-CD1 4.22Å; L90-L94 HydrophobicContact CD1-CG 4.35Å; L90-L94 HydrophobicContact CG-CD1 4.08Å; L90-L94 WeakPolarHBondContact O-CG 3.34Å; L90-L94 PolarHBondContact O-N 3.37Å |
| 91 | E | 92.8 | Very high | 84.4 | Confident | 90 Ų | 90 | 118.6 Ų | 118.6 | 42% | 0.421 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.9 | -46.4 | 179.9 | -165.7 | -167.6 | 147.8 | 0 | 0 | 111.5 | T87 D88 T93 L94 R95 | T87-E91 WeakPolarHBondContact O-CB 3.45Å; T87-E91 PolarHBondContact O-N 3.5Å; D88-E91 PolarHBondContact O-N 2.83Å; E91-T93 VanDerWaalsContact C-N 3.25Å; E91-T93 PolarHBondContact O-N 2.62Å; E91-L94 PolarHBondContact O-N 3.04Å; E91-L94 VanDerWaalsContact O-N 3.12Å; E91-R95 WeakPolarHBondContact O-CG 3.4Å; E91-R95 PolarHBondContact O-N 2.83Å; E91-R95 IonicContact OE1-CZ 2.64Å; E91-R95 IonicContact OE1-NE 2.59Å; E91-R95 PolarHBondContact OE1-NE 3.08Å; E91-R95 IonicContact OE1-NH2 3.14Å; E91-R95 PolarHBondContact OE1-NH2 2.81Å |
| 92 | Q | 90.3 | Very high | 81.9 | Confident | 90 Ų | 90 | 116.3 Ų | 116.3 | 42% | 0.421 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -60.8 | -36.8 | 174.7 | -169 | -173.1 | 73.8 | 0 | 0 | 111.5 | D88 R96 | D88-Q92 VanDerWaalsContact O-CB 3.28Å; D88-Q92 WeakPolarHBondContact O-CB 3.29Å; D88-Q92 PolarHBondContact O-N 3.13Å; Q92-R96 WeakPolarHBondContact O-CB 3.31Å; Q92-R96 VanDerWaalsContact O-CG 3.31Å; Q92-R96 WeakPolarHBondContact O-CG 3.24Å; Q92-R96 PolarHBondContact O-N 2.86Å |
| 93 | T | 87.6 | Confident | 79.7 | Confident | 81 Ų | 81 | 113.5 Ų | 113.5 | 50% | 0.497 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66 | -39.8 | 174.9 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | I89 L90 E91 K97 | I89-T93 VanDerWaalsContact O-CB 3.29Å; I89-T93 WeakPolarHBondContact O-CB 3.42Å; I89-T93 PolarHBondContact O-N 3.28Å; I89-T93 PolarHBondContact O-OG1 2.91Å; L90-T93 WeakPolarHBondContact O-CB 3.28Å; L90-T93 PolarHBondContact O-N 3.37Å; E91-T93 VanDerWaalsContact C-N 3.25Å; E91-T93 PolarHBondContact O-N 2.62Å; T93-K97 WeakPolarHBondContact O-CB 3.29Å; T93-K97 PolarHBondContact O-N 2.87Å |
| 94 | L | 86.2 | Confident | 77.3 | Confident | 108 Ų | 108 | 114.4 Ų | 114.4 | 57% | 0.565 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.2 | -44.1 | 176.7 | -71.1 | 169.4 | 0 | 0 | 0 | 112 | L90 E91 R96 K97 G98 | L90-L94 HydrophobicContact CD1-CD1 4.22Å; L90-L94 HydrophobicContact CD1-CG 4.35Å; L90-L94 HydrophobicContact CG-CD1 4.08Å; L90-L94 WeakPolarHBondContact O-CG 3.34Å; L90-L94 PolarHBondContact O-N 3.37Å; E91-L94 PolarHBondContact O-N 3.04Å; E91-L94 VanDerWaalsContact O-N 3.12Å; L94-R96 PolarHBondContact O-N 3.21Å; L94-K97 CarbonylContact O-C 3.48Å; L94-K97 VanDerWaalsContact O-CA 3.31Å; L94-K97 WeakPolarHBondContact O-CA 3.4Å; L94-K97 VanDerWaalsContact O-CB 3.24Å; L94-K97 WeakPolarHBondContact O-CB 3.35Å; L94-K97 PolarHBondContact O-N 3.19Å; L94-G98 PolarHBondContact O-N 3.48Å |
| 95 | R | 85.7 | Confident | 74.9 | Confident | 163 Ų | 163 | 116.5 Ų | 116.5 | 62% | 0.615 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -57.7 | -45.6 | 173.9 | -71.8 | 175.1 | 178.3 | -104 | 7.8 | 111.5 | E91 K97 G98 H99 | E91-R95 WeakPolarHBondContact O-CG 3.4Å; E91-R95 PolarHBondContact O-N 2.83Å; E91-R95 IonicContact OE1-CZ 2.64Å; E91-R95 IonicContact OE1-NE 2.59Å; E91-R95 PolarHBondContact OE1-NE 3.08Å; E91-R95 IonicContact OE1-NH2 3.14Å; E91-R95 PolarHBondContact OE1-NH2 2.81Å; R95-K97 PolarHBondContact O-N 3.17Å; R95-G98 PolarHBondContact O-N 3.31Å; R95-H99 PolarHBondContact O-CD2 3.12Å; R95-H99 PolarHBondContact O-N 2.88Å |
| 96 | R | 82.1 | Confident | 72.5 | Confident | 193 Ų | 193 | 120.6 Ų | 120.6 | 73% | 0.728 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67.1 | -9.2 | 172.2 | -70.9 | -179.7 | -179.4 | -160.5 | 3 | 114.3 | Q92 L94 | Q92-R96 WeakPolarHBondContact O-CB 3.31Å; Q92-R96 VanDerWaalsContact O-CG 3.31Å; Q92-R96 WeakPolarHBondContact O-CG 3.24Å; Q92-R96 PolarHBondContact O-N 2.86Å; L94-R96 PolarHBondContact O-N 3.21Å |
| 97 | K | 77.3 | Confident | 69.9 | Low | 175 Ų | 175 | 119 Ų | 119 | 76% | 0.761 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -97.6 | -29.1 | 173.5 | -152.2 | 72.2 | -168.3 | 149.5 | 0 | 112.8 | T93 L94 R95 | T93-K97 WeakPolarHBondContact O-CB 3.29Å; T93-K97 PolarHBondContact O-N 2.87Å; L94-K97 CarbonylContact O-C 3.48Å; L94-K97 VanDerWaalsContact O-CA 3.31Å; L94-K97 WeakPolarHBondContact O-CA 3.4Å; L94-K97 VanDerWaalsContact O-CB 3.24Å; L94-K97 WeakPolarHBondContact O-CB 3.35Å; L94-K97 PolarHBondContact O-N 3.19Å; R95-K97 PolarHBondContact O-N 3.17Å |
| 98 | G | 59.4 | Low | 67.2 | Low | 59 Ų | 59 | 120 Ų | 120 | 61% | 0.608 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -84.1 | -22.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L94 R95 G100 | L94-G98 PolarHBondContact O-N 3.48Å; R95-G98 PolarHBondContact O-N 3.31Å; G98-G100 PolarHBondContact O-N 2.81Å |
| 99 | H | 51.8 | Low | 64.7 | Low | 179 Ų | 179 | 125.9 Ų | 125.9 | 83% | 0.829 | 68% | 0.675 | S | S | * | * | | | trans | -74.8 | 69.1 | 171.7 | -79.5 | -74.2 | 0 | 0 | 0 | 112.1 | R95 | R95-H99 PolarHBondContact O-CD2 3.12Å; R95-H99 PolarHBondContact O-N 2.88Å |
| 100 | G | 54.7 | Low | 62 | Low | 60 Ų | 60 | 131 Ų | 131 | 62% | 0.619 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -142.5 | 80.4 | 171 | 0 | 0 | 0 | 0 | 0 | 109.1 | G98 | G98-G100 PolarHBondContact O-N 2.81Š|
| 101 | L | 52.9 | Low | 59.5 | Low | 178 Ų | 178 | 131.2 Ų | 131.2 | 93% | 0.932 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 67.9 | 87.2 | -177.5 | -50.2 | 177.4 | 0 | 0 | 0 | 115.4 | | |
| 102 | D | 40.3 | Very low | 57.1 | Low | 155 Ų | 155 | 132 Ų | 132 | 83% | 0.829 | 73% | 0.729 | S | S | * | * | | | | -138 | 152.4 | 115 | -167.3 | 18.4 | 0 | 0 | 0 | 108.9 | | |
| 103 | G | 50.3 | Low | 54.6 | Low | 65 Ų | 65 | 136.2 Ų | 136.2 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | | | trans | -135.3 | 101.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 104 | S | 44.2 | Very low | 52 | Low | 102 Ų | 102 | 136.5 Ų | 136.5 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | -129.6 | 91.6 | 160.5 | -74.3 | 0 | 0 | 0 | 0 | 108.8 | L106 | S104-L106 PolarHBondContact O-N 2.75Š|
| 105 | E | 45.6 | Very low | 49.5 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | | | trans | -56.1 | 111.1 | 153.7 | 179.9 | -178.3 | 136.3 | 0 | 0 | 107.8 | | |
| 106 | L | 47.2 | Very low | 47.1 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | -121.6 | 91.9 | 161.1 | -79.6 | -179.9 | 0 | 0 | 0 | 108 | S104 | S104-L106 PolarHBondContact O-N 2.75Š|
| 107 | D | 40.2 | Very low | 44.8 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 59% | 0.588 | 78% | 0.782 | S | S | * | * | | | trans | -43.3 | 142.4 | 154 | 172.7 | 30.9 | 0 | 0 | 0 | 111.5 | E109 | D107-E109 PolarHBondContact OD1-N 2.68Å; D107-E109 VanDerWaalsContact OD1-N 3.08Å |
| 108 | S | 38.8 | Very low | 43 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -163.8 | 51.6 | 168.2 | -75.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 109 | E | 43.4 | Very low | 41.7 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | | | trans | -89.1 | 116.7 | 159.9 | 64.7 | -175.9 | 66.2 | 0 | 0 | 111.2 | D107 | D107-E109 PolarHBondContact OD1-N 2.68Å; D107-E109 VanDerWaalsContact OD1-N 3.08Å |
| 110 | E | 39.2 | Very low | 41.3 | Very low | 200 Ų | 200 | 137.3 Ų | 137.3 | 94% | 0.935 | 80% | 0.801 | S | S | * | * | | | trans | -158.6 | 148.7 | 134.2 | -169.6 | 149.3 | 82.9 | 0 | 0 | 109.9 | | |
| 111 | S | 39 | Very low | 40.1 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | -121 | 132.7 | 179.6 | -173.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 112 | A | 43.3 | Very low | 39 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | | | trans | -131 | 102.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 113 | Q | 37.3 | Very low | 38.7 | Very low | 178 Ų | 178 | 133.2 Ų | 133.2 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -118.8 | 126.1 | 174.5 | -179.4 | 78.3 | 31.5 | 0 | 0 | 108.9 | | |
| 114 | A | 32.7 | Very low | 38.2 | Very low | 88 Ų | 88 | 134.3 Ų | 134.3 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | 141 | 143.1 | 138.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 115 | A | 34.3 | Very low | 38.3 | Very low | 99 Ų | 99 | 138 Ų | 138 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | 87.6 | 129.8 | 139.5 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 116 | A | 35.2 | Very low | 37.9 | Very low | 90 Ų | 90 | 135.8 Ų | 135.8 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | | | trans | 86.2 | 99.6 | 140 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 117 | D | 33.7 | Very low | 37.8 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | 42.1 | 113.4 | 130.2 | -67.3 | -49.1 | 0 | 0 | 0 | 122 | | |
| 118 | K | 39.6 | Very low | 37.7 | Very low | 204 Ų | 204 | 134.5 Ų | 134.5 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | | | | -176.1 | 129.6 | 100.6 | -97.2 | 160 | -173.4 | 174.5 | 0 | 114.4 | | |
| 119 | Y | 31.4 | Very low | 37.7 | Very low | 216 Ų | 216 | 135.8 Ų | 135.8 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | | | trans | -89.1 | 167.4 | 156.1 | -96.6 | -84.5 | 0 | 0 | 0 | 109 | | |
| 120 | P | 43.8 | Very low | 37.5 | Very low | 132 Ų | 132 | 132 Ų | 132 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | | | cis | -137.4 | 169.3 | 37.1 | 41.8 | -23.5 | 0 | 0 | 0 | 118 | | |
| 121 | G | 29.1 | Very low | 37.3 | Very low | 61 Ų | 61 | 133.9 Ų | 133.9 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | | | trans | 177.2 | 139.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 122 | S | 30.5 | Very low | 37.1 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -74.9 | 168 | -175.9 | 62.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 123 | D | 35.2 | Very low | 37 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | | | cis | -149.4 | 149.4 | 30 | -99.8 | -68.6 | 0 | 0 | 0 | 115.8 | | |
| 124 | S | 38 | Very low | 36.6 | Very low | 88 Ų | 88 | 143.8 Ų | 143.8 | 62% | 0.615 | 79% | 0.791 | S | S | * | * | | | trans | 38.2 | 98.2 | 133.6 | -152.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 125 | M | 46 | Very low | 36.5 | Very low | 180 Ų | 180 | 145 Ų | 145 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | | | | 176 | 148.4 | 102.3 | -87.2 | -60.5 | 176.2 | 0 | 0 | 110.7 | | |
| 126 | D | 38.1 | Very low | 37.4 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | trans | -125.7 | 176.8 | -176.1 | -175.1 | 26.3 | 0 | 0 | 0 | 111.4 | | |
| 127 | L | 45.8 | Very low | 37.9 | Very low | 146 Ų | 146 | 145.9 Ų | 145.9 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | | | trans | 110.5 | 76.6 | 162.7 | -63.2 | 154.2 | 0 | 0 | 0 | 117.4 | | |
| 128 | S | 37.1 | Very low | 37.9 | Very low | 93 Ų | 93 | 143.4 Ų | 143.4 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | | | | 68.1 | 154.8 | 112.1 | -70.1 | 0 | 0 | 0 | 0 | 121.9 | | |
| 129 | V | 38.1 | Very low | 37.8 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | | | trans | 73.4 | 129.1 | 171 | -172.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 130 | A | 39.3 | Very low | 37.9 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | | | cis | -134.4 | 153 | 3.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 131 | R | 35 | Very low | 37.6 | Very low | 241 Ų | 241 | 137 Ų | 137 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | | | trans | -113 | 111.2 | 162 | 177.1 | -163.6 | -168.2 | -174.8 | 8 | 108.6 | | |
| 132 | Q | 35.7 | Very low | 38.2 | Very low | 179 Ų | 179 | 139.9 Ų | 139.9 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | | | trans | -152.3 | 146.9 | 159.5 | -115.9 | 168.1 | 31.6 | 0 | 0 | 112.5 | | |
| 133 | R | 41.3 | Very low | 38.2 | Very low | 232 Ų | 232 | 142.7 Ų | 142.7 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | | | trans | -86.4 | 156.8 | 173.6 | -51.9 | 173 | -177.5 | 162.2 | -2.7 | 108.7 | | |
| 134 | F | 29.2 | Very low | 38.4 | Very low | 192 Ų | 192 | 141.7 Ų | 141.7 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | | | trans | -143.2 | 131.7 | 160.3 | -119.4 | -82.1 | 0 | 0 | 0 | 113.6 | | |
| 135 | C | 30.3 | Very low | 38.2 | Very low | 112 Ų | 112 | 146.7 Ų | 146.7 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | | | trans | 179.9 | 151.1 | 172.2 | -167.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 136 | P | 53.5 | Low | 37.6 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | | | cis | -95.6 | -113.5 | -16.1 | 18.6 | 5.7 | 0 | 0 | 0 | 107 | | |
| 137 | P | 45.9 | Very low | 37.3 | Very low | 105 Ų | 105 | 147.4 Ų | 147.4 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | | | cis | -136.7 | 152 | -26.3 | 39.8 | -21.2 | 0 | 0 | 0 | 118.3 | | |
| 138 | S | 33.4 | Very low | 36.7 | Very low | 101 Ų | 101 | 146.2 Ų | 146.2 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | 52 | 113.5 | 135.6 | -58.7 | 0 | 0 | 0 | 0 | 124.1 | | |
| 139 | L | 36.7 | Very low | 36.6 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | | 84.1 | 147.6 | 121.4 | -67.5 | 175.4 | 0 | 0 | 0 | 122.8 | | |
| 140 | L | 33.9 | Very low | 36.4 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | | | trans | 81.8 | 134.6 | 155 | -74.9 | 156.3 | 0 | 0 | 0 | 120.7 | | |
| 141 | S | 36.9 | Very low | 35.9 | Very low | 95 Ų | 95 | 143.6 Ų | 143.6 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | | | trans | -80.2 | 165.2 | 166.9 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 142 | P | 43.3 | Very low | 35.9 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | | -143.8 | 174.3 | 110.5 | 39.4 | -26.7 | 0 | 0 | 0 | 115.5 | | |
| 143 | E | 30.2 | Very low | 35.8 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | -89.3 | 162.7 | 177.1 | -62.6 | 166.2 | 89.1 | 0 | 0 | 113.4 | | |
| 144 | T | 38.7 | Very low | 35.5 | Very low | 120 Ų | 120 | 132 Ų | 132 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | | | trans | 46.7 | 99.9 | 150 | 53.9 | 0 | 0 | 0 | 0 | 121 | | |
| 145 | Q | 34.4 | Very low | 35.5 | Very low | 194 Ų | 194 | 126.1 Ų | 126.1 | 91% | 0.907 | 76% | 0.758 | S | S | * | * | | | trans | -141.9 | 123.6 | 141.8 | -58.3 | -177.4 | 19.4 | 0 | 0 | 105.1 | | |
| 146 | F | 31.9 | Very low | 35.8 | Very low | 183 Ų | 183 | 129.9 Ų | 129.9 | 80% | 0.803 | 76% | 0.762 | S | S | * | * | | | cis | 81.4 | 111.2 | 25.2 | -110.4 | -80 | 0 | 0 | 0 | 116.4 | | |
| 147 | L | 33.3 | Very low | 35.6 | Very low | 151 Ų | 151 | 130.8 Ų | 130.8 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | trans | 81.8 | 138 | 162.6 | -82.4 | 158 | 0 | 0 | 0 | 122.7 | | |
| 148 | V | 33.3 | Very low | 34.7 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | | | trans | 69.1 | 107.9 | 157.5 | 156.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 149 | S | 33.7 | Very low | 34.9 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | | 74.8 | 133.7 | 67.9 | -64.1 | 0 | 0 | 0 | 0 | 113 | | |
| 150 | A | 33.8 | Very low | 34.8 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | | | cis | -155.3 | 176.2 | -2.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 151 | G | 29.3 | Very low | 34.9 | Very low | 61 Ų | 61 | 127.9 Ų | 127.9 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | | | cis | 177.8 | -172.1 | 1.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 152 | C | 34.2 | Very low | 35.7 | Very low | 117 Ų | 117 | 129 Ų | 129 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | trans | 30.6 | 139.2 | 153.9 | 55.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 153 | E | 34.3 | Very low | 35.3 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | cis | -177.1 | -179.4 | 0.1 | -123.6 | 169.5 | 77.4 | 0 | 0 | 108.5 | | |
| 154 | N | 34.5 | Very low | 35.4 | Very low | 123 Ų | 123 | 127 Ų | 127 | 66% | 0.658 | 78% | 0.781 | S | S | * | * | | | cis | -150.2 | -179.4 | -4.5 | -161.3 | -62.6 | 0 | 0 | 0 | 107 | | |
| 155 | G | 29.9 | Very low | 35.2 | Very low | 69 Ų | 69 | 126 Ų | 126 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | 156.7 | 96 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 156 | F | 35.7 | Very low | 35.2 | Very low | 191 Ų | 191 | 122 Ų | 122 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | | | trans | -99.3 | 172.9 | 169.5 | -82.9 | -77.8 | 0 | 0 | 0 | 110.8 | | |
| 157 | P | 49.3 | Very low | 35.2 | Very low | 122 Ų | 122 | 123.1 Ų | 123.1 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | | | cis | -136.6 | 171.8 | 15.8 | 42.7 | -25.9 | 0 | 0 | 0 | 117.4 | | |
| 158 | N | 28.9 | Very low | 35.4 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | | | trans | -155.9 | 141.3 | 154 | -162.3 | 3.9 | 0 | 0 | 0 | 112.1 | | |
| 159 | S | 36.8 | Very low | 36.2 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | | | trans | -156.7 | 145.1 | 176.6 | -70.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 160 | S | 35 | Very low | 37.2 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | cis | -165.3 | 133.9 | -2 | 42.9 | 0 | 0 | 0 | 0 | 106.9 | | |
| 161 | A | 36.3 | Very low | 37.1 | Very low | 96 Ų | 96 | 124.5 Ų | 124.5 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | | | | 62.6 | 166 | 101.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 162 | P | 52.5 | Low | 37.4 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | cis | -132.8 | 165.2 | -11.2 | 40.4 | -24.9 | 0 | 0 | 0 | 115.1 | | |
| 163 | V | 35 | Very low | 37.6 | Very low | 151 Ų | 151 | 135 Ų | 135 | 92% | 0.915 | 79% | 0.792 | S | S | * | * | | | trans | -140.1 | 145.9 | 148.7 | -179.2 | 0 | 0 | 0 | 0 | 108 | | |
| 164 | A | 33.3 | Very low | 37.4 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | trans | -104.2 | 156.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 165 | A | 33.1 | Very low | 37.3 | Very low | 99 Ų | 99 | 134 Ų | 134 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | | 173.5 | 118.3 | 123.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 166 | S | 35.6 | Very low | 37.5 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -158.4 | 139.7 | 153.9 | -84.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 167 | H | 32.5 | Very low | 37.4 | Very low | 206 Ų | 206 | 133 Ų | 133 | 95% | 0.954 | 81% | 0.81 | S | S | * | * | | | trans | -176.8 | 158 | 147 | -88 | -43.3 | 0 | 0 | 0 | 111.1 | | |
| 168 | R | 37 | Very low | 36.7 | Very low | 228 Ų | 228 | 138.5 Ų | 138.5 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | -100.4 | 155.2 | -179.6 | -178.8 | -171.2 | -177.2 | -178.1 | 4.3 | 109 | | |
| 169 | P | 48.7 | Very low | 37.5 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | | -143.8 | -145.2 | 124.9 | 40.9 | -21.6 | 0 | 0 | 0 | 113 | | |
| 170 | P | 55.3 | Low | 37.3 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | | -144.1 | -172 | -114.7 | 44.3 | -22 | 0 | 0 | 0 | 118 | | |
| 171 | G | 33 | Very low | 37.4 | Very low | 60 Ų | 60 | 136.2 Ų | 136.2 | 62% | 0.619 | 81% | 0.808 | S | S | * | * | | | | 97.8 | 167.7 | 126.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 172 | F | 34 | Very low | 37.4 | Very low | 205 Ų | 205 | 135.7 Ų | 135.7 | 90% | 0.899 | 80% | 0.804 | S | S | * | * | | | trans | -152 | 174.6 | 179.7 | -49.1 | -83.9 | 0 | 0 | 0 | 108.2 | | |
| 173 | K | 38.7 | Very low | 36.7 | Very low | 193 Ų | 193 | 135.4 Ų | 135.4 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | | | cis | -148 | 164.2 | 14.2 | -58 | 173.7 | 177.7 | 177.3 | 0 | 110.7 | | |
| 174 | A | 30.8 | Very low | 37.5 | Very low | 93 Ų | 93 | 134.4 Ų | 134.4 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | 57.9 | 128.1 | 143.6 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 175 | L | 32.8 | Very low | 37.6 | Very low | 177 Ų | 177 | 134.5 Ų | 134.5 | 93% | 0.927 | 80% | 0.802 | S | S | * | * | | | | -170.7 | 175.5 | 119.7 | -103.1 | 162.3 | 0 | 0 | 0 | 111.7 | | |
| 176 | S | 34 | Very low | 37.8 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | -108.2 | 151.7 | -158.6 | -48.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 177 | S | 32.5 | Very low | 38.7 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | | | trans | -156.1 | 149.7 | 146 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 178 | R | 34.5 | Very low | 39.1 | Very low | 238 Ų | 238 | 131.7 Ų | 131.7 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | | | trans | -123 | 173 | 170.9 | -142.9 | -178.8 | 156.9 | -138.6 | -3.8 | 104.4 | | |
| 179 | P | 47.1 | Very low | 39 | Very low | 96 Ų | 96 | 124.9 Ų | 124.9 | 62% | 0.623 | 78% | 0.78 | S | S | * | * | | | cis | -143.4 | -167.2 | 8.6 | 44.6 | -24.3 | 0 | 0 | 0 | 116.2 | | |
| 180 | S | 32.9 | Very low | 38.5 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | 45.6 | 140.5 | 145.4 | -62.8 | 0 | 0 | 0 | 0 | 121 | | |
| 181 | S | 36.6 | Very low | 37.4 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | cis | -160.9 | -162.3 | 4 | 46.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 182 | A | 35 | Very low | 37.6 | Very low | 86 Ų | 86 | 131.4 Ų | 131.4 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | cis | -157.6 | -156.4 | 11.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 183 | S | 37.6 | Very low | 38 | Very low | 113 Ų | 113 | 127 Ų | 127 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -144.6 | 163.9 | 163.2 | -52.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 184 | P | 53.8 | Low | 38.7 | Very low | 130 Ų | 130 | 123.9 Ų | 123.9 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | | | | -143.6 | 176.2 | 95.1 | 22.4 | 0.2 | 0 | 0 | 0 | 112.9 | | |
| 185 | A | 34.4 | Very low | 38.9 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | | | cis | -161.8 | 168.9 | -23 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 186 | G | 37 | Very low | 39.9 | Very low | 70 Ų | 70 | 125.5 Ų | 125.5 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | trans | -84.3 | -148.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 187 | P | 54.4 | Low | 39.9 | Very low | 104 Ų | 104 | 123.4 Ų | 123.4 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | | | cis | -151.4 | 176.3 | 41.9 | 44.3 | -24.9 | 0 | 0 | 0 | 118.9 | | |
| 188 | H | 40.5 | Very low | 40.2 | Very low | 182 Ų | 182 | 124.6 Ų | 124.6 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | trans | 65.4 | 150.8 | 157.1 | -57 | -45 | 0 | 0 | 0 | 119.7 | | |
| 189 | A | 35.9 | Very low | 40.2 | Very low | 85 Ų | 85 | 115.9 Ų | 115.9 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | | | cis | -163.7 | 130.5 | -19.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 190 | A | 37.3 | Very low | 39.9 | Very low | 86 Ų | 86 | 120.9 Ų | 120.9 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | | 80.8 | 155.4 | 79 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 191 | F | 33.3 | Very low | 40.2 | Very low | 189 Ų | 189 | 121 Ų | 121 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | | | trans | 73.7 | 145.7 | -178.4 | -66.7 | -110.4 | 0 | 0 | 0 | 116.7 | | |
| 192 | M | 37.4 | Very low | 40.3 | Very low | 155 Ų | 155 | 122.1 Ų | 122.1 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | | | cis | -161.3 | 168.3 | -19.8 | -113.7 | -54.8 | 149.6 | 0 | 0 | 110.9 | | |
| 193 | S | 41.6 | Very low | 40.6 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | -137 | 138 | 169.8 | -60.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 194 | P | 53.1 | Low | 40.5 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | | | trans | -141.2 | 171.5 | 143.7 | 30.5 | -11.3 | 0 | 0 | 0 | 115.5 | | |
| 195 | H | 34.8 | Very low | 40.1 | Very low | 183 Ų | 183 | 129.5 Ų | 129.5 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | | | trans | -83.4 | -165.9 | 174.5 | -76.2 | -77.7 | 0 | 0 | 0 | 112.2 | | |
| 196 | P | 55.3 | Low | 40 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | | | | -134.8 | 171.6 | -66.5 | 40.1 | -25.3 | 0 | 0 | 0 | 114.8 | | |
| 197 | G | 33.2 | Very low | 40.1 | Very low | 68 Ų | 68 | 132.4 Ų | 132.4 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | | | trans | 117.9 | 159.9 | 137 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 198 | I | 39.3 | Very low | 39.9 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 77% | 0.774 | 79% | 0.785 | S | S | * | * | | | trans | 71.7 | 123.4 | 162.3 | -55.7 | 166.7 | 0 | 0 | 0 | 116.5 | Y200 | I198-Y200 HydrophobicContact CG2-CE1 4.03Å; I198-Y200 HydrophobicContact CG2-CE2 4.17Å; I198-Y200 VanDerWaalsContact CG2-OH 3.25Å; I198-Y200 WeakPolarHBondContact CG2-OH 3.37Å |
| 199 | G | 34.7 | Very low | 39.7 | Very low | 56 Ų | 56 | 132.1 Ų | 132.1 | 58% | 0.577 | 78% | 0.775 | S | S | * | * | | | cis | 176.4 | -163 | -2.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 200 | Y | 40.3 | Very low | 39.9 | Very low | 201 Ų | 201 | 138.4 Ų | 138.4 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | | | trans | 66.3 | 102 | 167.2 | -19.5 | -71.7 | 0 | 0 | 0 | 116.4 | I198 | I198-Y200 HydrophobicContact CG2-CE1 4.03Å; I198-Y200 HydrophobicContact CG2-CE2 4.17Å; I198-Y200 VanDerWaalsContact CG2-OH 3.25Å; I198-Y200 WeakPolarHBondContact CG2-OH 3.37Å |
| 201 | S | 39.5 | Very low | 40 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | | 96 | 139.7 | 85.7 | -76.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 202 | V | 38.2 | Very low | 40.7 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | cis | -145.9 | 164.2 | 3.5 | -111.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 203 | F | 41.2 | Very low | 40.8 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | -76.3 | 156.7 | 175.1 | -78.5 | -97.2 | 0 | 0 | 0 | 113.9 | | |
| 204 | S | 34.4 | Very low | 40.7 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | -157.7 | 133.4 | 138.9 | -83.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 205 | H | 46 | Very low | 39.8 | Very low | 180 Ų | 180 | 145.6 Ų | 145.6 | 83% | 0.833 | 80% | 0.802 | S | S | * | * | | | trans | -85.8 | 144.1 | 166.8 | -73.9 | -120.4 | 0 | 0 | 0 | 109.2 | | |
| 206 | G | 32.8 | Very low | 40.3 | Very low | 77 Ų | 77 | 141.4 Ų | 141.4 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | -160.8 | 64.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 207 | N | 37.8 | Very low | 40.1 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | trans | 34.4 | 121.9 | 149.3 | -157.9 | 5 | 0 | 0 | 0 | 121 | N209 | N207-N209 PolarHBondContact O-N 3.16Š|
| 208 | L | 50.7 | Low | 40.8 | Very low | 164 Ų | 164 | 143.1 Ų | 143.1 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | | | trans | -75.6 | 114.9 | 165.2 | -73.7 | 164.3 | 0 | 0 | 0 | 111.3 | | |
| 209 | N | 36.3 | Very low | 41.3 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 62% | 0.62 | 79% | 0.791 | S | S | * | * | | | trans | -157.9 | 117.2 | 150.6 | -116.8 | -88.1 | 0 | 0 | 0 | 113.9 | N207 | N207-N209 PolarHBondContact O-N 3.16Š|
| 210 | R | 41.3 | Very low | 41.6 | Very low | 217 Ų | 217 | 147.1 Ų | 147.1 | 82% | 0.819 | 81% | 0.808 | S | S | * | * | | | trans | 53.4 | 97 | 134 | -165.5 | -163.9 | -42.2 | -120 | -4.1 | 119.2 | | |
| 211 | A | 39.1 | Very low | 41.4 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | | | trans | -133.6 | 144.2 | 134.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 212 | L | 48.4 | Very low | 41.6 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | | | trans | -90.8 | 140 | 174.5 | -64.3 | 164.8 | 0 | 0 | 0 | 108.6 | | |
| 213 | D | 39.3 | Very low | 41.3 | Very low | 162 Ų | 162 | 143 Ų | 143 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | | | | -159.2 | 152.9 | 127.6 | -136 | -44.3 | 0 | 0 | 0 | 112.1 | | |
| 214 | M | 38.1 | Very low | 41.2 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 85% | 0.852 | 81% | 0.814 | S | S | * | * | | | trans | -107.6 | 118.5 | 179.5 | -67 | -149.3 | 76.3 | 0 | 0 | 111 | S216 | M214-S216 VanDerWaalsContact C-N 3.34Å; M214-S216 PolarHBondContact O-N 3.24Å |
| 215 | K | 34.9 | Very low | 41.6 | Very low | 212 Ų | 212 | 143.4 Ų | 143.4 | 92% | 0.922 | 82% | 0.816 | S | S | * | * | | | trans | -73.2 | 85.4 | 178.6 | -168.9 | 64.2 | 174.8 | -178.3 | 0 | 111.7 | | |
| 216 | S | 44.8 | Very low | 41.1 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 66% | 0.664 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 144 | 167.4 | -165.7 | 0 | 0 | 0 | 0 | 111.2 | M214 | M214-S216 VanDerWaalsContact C-N 3.34Å; M214-S216 PolarHBondContact O-N 3.24Å |
| 217 | P | 51.5 | Low | 41.4 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 70% | 0.695 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 159.5 | 171.5 | 30 | -35.3 | 0 | 0 | 0 | 112.3 | | |
| 218 | P | 48.4 | Very low | 41 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -77 | 150.7 | -170.5 | 31.2 | -36.2 | 0 | 0 | 0 | 113.8 | | |
| 219 | P | 50.3 | Low | 40.2 | Very low | 116 Ų | 116 | 147.1 Ų | 147.1 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 160.8 | 173.1 | 33.9 | -35.7 | 0 | 0 | 0 | 112.5 | | |
| 220 | L | 41 | Very low | 40 | Very low | 176 Ų | 176 | 149.7 Ų | 149.7 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 122.8 | 171.8 | -64.3 | 171.7 | 0 | 0 | 0 | 110 | | |
| 221 | S | 36.3 | Very low | 39.6 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 116.4 | 173.2 | -61.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 222 | L | 42.8 | Very low | 39.3 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 121.4 | 154.9 | -88.5 | 164.5 | 0 | 0 | 0 | 107.5 | | |
| 223 | G | 32.8 | Very low | 38.5 | Very low | 73 Ų | 73 | 141.2 Ų | 141.2 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 142.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 224 | S | 38.9 | Very low | 38.4 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | | | trans | -137.1 | 113.3 | 168.6 | -66.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 225 | E | 41.5 | Very low | 38.2 | Very low | 191 Ų | 191 | 137.7 Ų | 137.7 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | | | trans | -126.3 | 156.2 | 175.7 | 59.5 | -169.5 | 96.9 | 0 | 0 | 111.1 | | |
| 226 | N | 36.9 | Very low | 38.4 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | | | trans | -104 | 142.9 | -150.3 | -82.2 | -63 | 0 | 0 | 0 | 115.3 | | |
| 227 | L | 37.9 | Very low | 37.8 | Very low | 163 Ų | 163 | 135 Ų | 135 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | trans | 36.4 | 111.3 | 137.4 | -59.4 | 171.2 | 0 | 0 | 0 | 118.6 | | |
| 228 | R | 30.5 | Very low | 37.1 | Very low | 252 Ų | 252 | 134 Ų | 134 | 95% | 0.951 | 81% | 0.805 | S | S | * | * | | | trans | -146.5 | 142.6 | 136.7 | -160.5 | 164.7 | -178.8 | 149.1 | -0.8 | 110.3 | | |
| 229 | A | 32.9 | Very low | 36.5 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 72% | 0.719 | 81% | 0.806 | S | S | * | * | | | trans | -106 | 148.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 230 | D | 31.5 | Very low | 35.9 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | -157.6 | 178.2 | 136 | -135.7 | -53.3 | 0 | 0 | 0 | 110.1 | | |
| 231 | A | 33.1 | Very low | 35.6 | Very low | 87 Ų | 87 | 137.5 Ų | 137.5 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | | | trans | -114.6 | 179.6 | -160.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 232 | A | 32.6 | Very low | 35.5 | Very low | 86 Ų | 86 | 138 Ų | 138 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | trans | 94.4 | 114.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 233 | N | 32.7 | Very low | 35.3 | Very low | 138 Ų | 138 | 136.9 Ų | 136.9 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | | | | 88.3 | 128.5 | 127.7 | -80.3 | -27.1 | 0 | 0 | 0 | 123.9 | | |
| 234 | Q | 37.7 | Very low | 35.4 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | 67.7 | 110.9 | 145.1 | -64.4 | 178.4 | 94.8 | 0 | 0 | 117.5 | | |
| 235 | A | 33.8 | Very low | 35.2 | Very low | 91 Ų | 91 | 139.9 Ų | 139.9 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | | | | 100.9 | 148.2 | 74.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 236 | M | 39.2 | Very low | 35.1 | Very low | 184 Ų | 184 | 134.6 Ų | 134.6 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | | | cis | -156.9 | 145.6 | 6.5 | -136 | -84.5 | -83 | 0 | 0 | 111.8 | | |
| 237 | G | 31.2 | Very low | 35.3 | Very low | 67 Ų | 67 | 139 Ų | 139 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | | | trans | 82 | 154.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 238 | A | 36.4 | Very low | 35 | Very low | 84 Ų | 84 | 136.2 Ų | 136.2 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | | | cis | -165.8 | 132.3 | -14.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 239 | T | 36.5 | Very low | 35.4 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | trans | 60.7 | 142.1 | 151 | 64.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 240 | R | 37.1 | Very low | 35.7 | Very low | 225 Ų | 225 | 133.1 Ų | 133.1 | 85% | 0.849 | 76% | 0.763 | S | S | * | * | | | cis | -140.1 | 153.6 | 7.9 | -61.4 | -176.4 | -178.9 | -166.6 | -2.3 | 107.8 | | |
| 241 | V | 35.5 | Very low | 35.8 | Very low | 129 Ų | 129 | 135 Ų | 135 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | | | cis | 72 | 124.2 | 44.7 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 242 | N | 34.3 | Very low | 35.7 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | cis | -152.8 | 179 | 20.5 | -146.6 | 4.5 | 0 | 0 | 0 | 118.4 | | |
| 243 | H | 39.1 | Very low | 35.7 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 69% | 0.69 | 76% | 0.763 | S | S | * | * | | | trans | -41.5 | 151.8 | 178.8 | -63.7 | -51 | 0 | 0 | 0 | 123.8 | | |
| 244 | N | 33.4 | Very low | 35.9 | Very low | 152 Ų | 152 | 138.2 Ų | 138.2 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | | -162.7 | 141.1 | 100.6 | -92.8 | -26.6 | 0 | 0 | 0 | 109.8 | | |
| 245 | S | 36.3 | Very low | 35.8 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | cis | 80.1 | 128.6 | 28.3 | -164.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 246 | A | 39.4 | Very low | 35.7 | Very low | 81 Ų | 81 | 138.4 Ų | 138.4 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | | | cis | -159.4 | 162.6 | -15.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 247 | R | 40.3 | Very low | 35.3 | Very low | 237 Ų | 237 | 134.9 Ų | 134.9 | 89% | 0.894 | 75% | 0.75 | S | S | * | * | | | | -178.4 | 152.5 | 74.6 | -71 | 171.3 | 169.4 | 160.1 | -3.4 | 106.4 | | |
| 248 | S | 30.8 | Very low | 35.3 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | | | cis | 65.7 | 138.6 | 44.3 | -125.3 | 0 | 0 | 0 | 0 | 113 | | |
| 249 | L | 39.3 | Very low | 35.1 | Very low | 148 Ų | 148 | 138 Ų | 138 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | | | cis | -139.6 | 170.4 | 12.4 | -79.4 | 168.8 | 0 | 0 | 0 | 107.4 | | |
| 250 | L | 38.7 | Very low | 35 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 65% | 0.654 | 76% | 0.757 | S | S | * | * | | | cis | -148.7 | -163.7 | 1 | -111.7 | 157.7 | 0 | 0 | 0 | 105.5 | | |
| 251 | Y | 35.2 | Very low | 35.2 | Very low | 209 Ų | 209 | 135.5 Ų | 135.5 | 82% | 0.82 | 76% | 0.757 | S | S | * | * | | | cis | -145.1 | -168.1 | 5.7 | -131.9 | -51.6 | 0 | 0 | 0 | 108.9 | | |
| 252 | Q | 31.2 | Very low | 35.3 | Very low | 180 Ų | 180 | 133.8 Ų | 133.8 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | | | trans | -159.8 | 141 | -165.6 | -172.3 | 177.1 | 31.4 | 0 | 0 | 115.1 | | |
| 253 | G | 31.1 | Very low | 35.4 | Very low | 66 Ų | 66 | 136.9 Ų | 136.9 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | | | trans | 86 | 175.2 | 149.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 254 | L | 37.2 | Very low | 34.9 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | | | cis | -172 | 152.2 | -16.5 | -112.8 | -178.6 | 0 | 0 | 0 | 110 | | |
| 255 | H | 35.8 | Very low | 34.9 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | trans | 64.1 | 162 | 159.5 | -67.5 | -45.4 | 0 | 0 | 0 | 118 | | |
| 256 | S | 32.6 | Very low | 34.9 | Very low | 101 Ų | 101 | 135.5 Ų | 135.5 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | cis | -162.3 | -179.4 | -21.1 | -172.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 257 | S | 30.1 | Very low | 34.6 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | 67.5 | 126.5 | 152.8 | 55.3 | 0 | 0 | 0 | 0 | 122.9 | | |
| 258 | S | 31.9 | Very low | 34.8 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | -49.2 | 154.2 | 166.1 | -36.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 259 | S | 32.3 | Very low | 35 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | | 161.7 | 146.6 | 99.9 | -157.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 260 | M | 33 | Very low | 34.6 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 80% | 0.803 | 78% | 0.781 | S | S | * | * | | | trans | 50.2 | 125.5 | 155 | -73 | -166.5 | -57.4 | 0 | 0 | 125 | | |
| 261 | V | 42.7 | Very low | 34.6 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | | | trans | 50.3 | 118.3 | 138.4 | -46.7 | 0 | 0 | 0 | 0 | 124 | | |
| 262 | A | 35.8 | Very low | 34.5 | Very low | 94 Ų | 94 | 129 Ų | 129 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | | | trans | -161.5 | 130.8 | 140.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 263 | M | 37 | Very low | 34.8 | Very low | 196 Ų | 196 | 128.7 Ų | 128.7 | 97% | 0.966 | 78% | 0.784 | S | S | * | * | | | | 52.5 | 131.5 | 75.6 | -154.7 | 173.7 | -165.4 | 0 | 0 | 113.2 | | |
| 264 | G | 29.1 | Very low | 34.9 | Very low | 65 Ų | 65 | 129.6 Ų | 129.6 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | | | cis | 156.6 | 129.5 | -1.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 265 | K | 32.7 | Very low | 34.7 | Very low | 212 Ų | 212 | 125.9 Ų | 125.9 | 92% | 0.922 | 79% | 0.787 | S | S | * | * | | | trans | -153.5 | 143.3 | 178.1 | -89.8 | -175.4 | 175.3 | 176.8 | 0 | 109.4 | | |
| 266 | A | 36.3 | Very low | 34.8 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | cis | -151 | 142.8 | -14.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 267 | G | 34.2 | Very low | 34.8 | Very low | 74 Ų | 74 | 128.8 Ų | 128.8 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | | | trans | -141.6 | 124.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 268 | L | 44.2 | Very low | 35.3 | Very low | 179 Ų | 179 | 131.6 Ų | 131.6 | 94% | 0.937 | 81% | 0.809 | S | S | * | * | | | trans | -93 | 127 | -175.1 | -73.8 | 171.5 | 0 | 0 | 0 | 111.6 | | |
| 269 | L | 35.7 | Very low | 36.3 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | | | trans | -70.3 | 160.1 | 158.3 | -70.3 | 175.5 | 0 | 0 | 0 | 109.2 | | |
| 270 | S | 29 | Very low | 37.5 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 62% | 0.615 | 81% | 0.805 | S | S | * | * | | | cis | -167.2 | -144.6 | -6.3 | 173.4 | 0 | 0 | 0 | 0 | 107.1 | | |
| 271 | H | 39.5 | Very low | 37.8 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 78% | 0.778 | 81% | 0.807 | S | S | * | * | | | trans | 79.6 | 139.5 | 174.2 | -35.4 | -63.2 | 0 | 0 | 0 | 115.5 | | |
| 272 | S | 33.1 | Very low | 37.3 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | | | cis | -169.7 | 162.6 | -20.8 | -108.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 273 | L | 38.5 | Very low | 37.3 | Very low | 174 Ų | 174 | 125.8 Ų | 125.8 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | | | trans | 60.8 | 115.6 | 157.2 | -70 | 158.8 | 0 | 0 | 0 | 119.1 | | |
| 274 | G | 32.9 | Very low | 37.2 | Very low | 86 Ų | 86 | 121.4 Ų | 121.4 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | | | trans | -81.4 | -171.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 275 | G | 32.2 | Very low | 37.3 | Very low | 54 Ų | 54 | 126 Ų | 126 | 56% | 0.557 | 80% | 0.796 | S | S | * | * | | | trans | 151.1 | 114.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 276 | Y | 38 | Very low | 37.4 | Very low | 244 Ų | 244 | 125.4 Ų | 125.4 | 96% | 0.957 | 79% | 0.789 | S | S | * | * | | | trans | 64.9 | 126.2 | 154.8 | -40.9 | -74.9 | 0 | 0 | 0 | 118.8 | | |
| 277 | G | 33.3 | Very low | 37.1 | Very low | 83 Ų | 83 | 126 Ų | 126 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | | | trans | 156.3 | 66 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 278 | L | 39.7 | Very low | 37.3 | Very low | 169 Ų | 169 | 130.7 Ų | 130.7 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | | | trans | -99.3 | 163.6 | 163.1 | -83.7 | 171.6 | 0 | 0 | 0 | 109.1 | | |
| 279 | P | 54.1 | Low | 37.5 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | | | cis | -128.2 | -129.8 | -7.9 | 27.3 | -0.3 | 0 | 0 | 0 | 112.2 | | |
| 280 | P | 56.8 | Low | 37.3 | Very low | 110 Ų | 110 | 122.9 Ų | 122.9 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | | | | -136.6 | 177.2 | -99.3 | 45.4 | -28.8 | 0 | 0 | 0 | 117.6 | | |
| 281 | A | 38.5 | Very low | 37.4 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | | | trans | 48.8 | 154.7 | 136.1 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 282 | G | 33 | Very low | 37 | Very low | 72 Ų | 72 | 129.3 Ų | 129.3 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | trans | 114.3 | 108.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 283 | A | 35.8 | Very low | 37 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | | | cis | 80.9 | 121 | 24.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 284 | S | 35.8 | Very low | 36.7 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | 63.8 | 153.5 | 169.2 | -80.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 285 | E | 30.9 | Very low | 36.7 | Very low | 160 Ų | 160 | 133.5 Ų | 133.5 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | cis | -163.3 | 172.6 | -20.8 | -135.4 | 166 | 119.5 | 0 | 0 | 111.2 | | |
| 286 | Y | 33.5 | Very low | 36.8 | Very low | 201 Ų | 201 | 136.3 Ų | 136.3 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | | | trans | 56.4 | 106.9 | 145.4 | -144.5 | -91.8 | 0 | 0 | 0 | 121.2 | | |
| 287 | S | 30.1 | Very low | 36.7 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | | -175.5 | 145.3 | 119.6 | -80.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 288 | Q | 39.8 | Very low | 36.7 | Very low | 174 Ų | 174 | 138 Ų | 138 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | trans | -94.3 | -179.2 | 170.5 | -80.7 | -87.3 | -15.1 | 0 | 0 | 109.7 | | |
| 289 | P | 46.4 | Very low | 36.4 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | cis | -134 | 172.1 | 7.9 | 41.4 | -24.5 | 0 | 0 | 0 | 117.1 | | |
| 290 | G | 32 | Very low | 35.5 | Very low | 59 Ų | 59 | 139.5 Ų | 139.5 | 61% | 0.608 | 80% | 0.798 | S | S | * | * | | | trans | -175.2 | 99.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 291 | F | 32.3 | Very low | 35.2 | Very low | 189 Ų | 189 | 139.7 Ų | 139.7 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | | | trans | -76.9 | 130.9 | -179.7 | -74.4 | -92.8 | 0 | 0 | 0 | 112.6 | | |
| 292 | F | 30.6 | Very low | 35.1 | Very low | 203 Ų | 203 | 140.8 Ų | 140.8 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | | | trans | -136.7 | 126.5 | 159.1 | -79.1 | -82.3 | 0 | 0 | 0 | 109.9 | | |
| 293 | H | 33.4 | Very low | 35.3 | Very low | 183 Ų | 183 | 144.2 Ų | 144.2 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | | | trans | -118.8 | 143.3 | 166.9 | -96 | -77.2 | 0 | 0 | 0 | 110.2 | | |
| 294 | S | 31.5 | Very low | 36 | Very low | 120 Ų | 120 | 145 Ų | 145 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | | | trans | -77.2 | 149.5 | -174.7 | -42.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 295 | V | 32.5 | Very low | 35.6 | Very low | 142 Ų | 142 | 151.3 Ų | 151.3 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | | | trans | -124.2 | 134.1 | 156 | -71.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 296 | S | 34 | Very low | 35.6 | Very low | 113 Ų | 113 | 151.6 Ų | 151.6 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | | | trans | -94.5 | 142.8 | 176.1 | -176.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 297 | L | 36.3 | Very low | 35.4 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | | | trans | -129.3 | 99.2 | 172.8 | -78.7 | 176.4 | 0 | 0 | 0 | 111 | | |
| 298 | Q | 33.4 | Very low | 35.2 | Very low | 198 Ų | 198 | 151.5 Ų | 151.5 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | | | trans | -89.9 | 129.9 | 163.9 | -166.6 | 175.1 | 52.6 | 0 | 0 | 108.1 | | |
| 299 | R | 34.5 | Very low | 34.6 | Very low | 243 Ų | 243 | 147.5 Ų | 147.5 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | | | trans | -114.1 | 122.7 | -169.6 | -177.3 | -172.9 | -83.2 | -172.2 | -5.3 | 112.6 | | |
| 300 | G | 35 | Very low | 33.8 | Very low | 66 Ų | 66 | 150.8 Ų | 150.8 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | | | trans | -123.7 | 157.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 301 | P | 49.2 | Very low | 33.6 | Very low | 115 Ų | 115 | 153.2 Ų | 153.2 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | | | | -142.4 | 177.5 | 94.6 | 39.4 | -22.1 | 0 | 0 | 0 | 113.1 | | |
| 302 | V | 36.6 | Very low | 34.4 | Very low | 126 Ų | 126 | 148.7 Ų | 148.7 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | cis | 76.2 | 132.3 | 32.2 | 145 | 0 | 0 | 0 | 0 | 111.9 | | |
| 303 | N | 38 | Very low | 34.3 | Very low | 144 Ų | 144 | 147 Ų | 147 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | cis | -152.8 | -169.1 | 17.7 | -127 | 11.4 | 0 | 0 | 0 | 113.8 | | |
| 304 | P | 50.6 | Low | 34.2 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | -108.5 | -152.1 | -159.7 | 46 | -42.5 | 0 | 0 | 0 | 118.1 | | |
| 305 | W | 26.8 | Very low | 34.2 | Very low | 237 Ų | 237 | 145.7 Ų | 145.7 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | | | trans | -98.4 | 166.5 | -166.8 | -98.1 | 73.3 | 0 | 0 | 0 | 116.4 | | |
| 306 | Q | 31.2 | Very low | 34.1 | Very low | 166 Ų | 166 | 145 Ų | 145 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | 71.8 | 152.4 | 170.5 | -65.7 | -174.2 | -16.6 | 0 | 0 | 116.4 | | |
| 307 | H | 29.5 | Very low | 33.9 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | | | cis | -139.9 | -176.5 | 16.4 | -158.9 | -100 | 0 | 0 | 0 | 114.3 | | |
| 308 | E | 26 | Very low | 33.9 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | | | trans | -68.6 | 150.3 | -166.7 | -168.8 | -175.7 | 96.7 | 0 | 0 | 119.4 | | |
| 309 | S | 27.8 | Very low | 34.1 | Very low | 90 Ų | 90 | 140.7 Ų | 140.7 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | | | | 144.4 | 150.8 | 122 | 68.9 | 0 | 0 | 0 | 0 | 118 | | |
| 310 | Q | 29.4 | Very low | 34.1 | Very low | 185 Ų | 185 | 134.2 Ų | 134.2 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | 72.8 | 112.4 | 159.9 | -70 | 174.6 | 93.9 | 0 | 0 | 122.7 | | |
| 311 | S | 26.6 | Very low | 34.1 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | -74.8 | -179.4 | 150.1 | -46.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 312 | P | 48.8 | Very low | 33.2 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 60% | 0.604 | 79% | 0.786 | S | S | * | * | | | cis | -152 | -179.1 | 20.6 | 44.4 | -22.5 | 0 | 0 | 0 | 120 | | |
| 313 | H | 29.4 | Very low | 33.1 | Very low | 169 Ų | 169 | 133.2 Ų | 133.2 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | | | trans | 59.9 | 127.5 | 158.1 | -46.5 | -50.6 | 0 | 0 | 0 | 121.6 | | |
| 314 | I | 31.3 | Very low | 32.7 | Very low | 173 Ų | 173 | 132 Ų | 132 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | | | | 176.9 | 163.1 | 117.7 | -90 | 160.8 | 0 | 0 | 0 | 109.6 | | |
| 315 | S | 30.5 | Very low | 32.1 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | | | trans | -116.5 | 167 | -159.2 | -47 | 0 | 0 | 0 | 0 | 115.6 | | |
| 316 | S | 31.5 | Very low | 33.2 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | | | trans | 78.7 | 135.9 | 153.1 | -54.7 | 0 | 0 | 0 | 0 | 119.2 | | |
| 317 | G | 29.8 | Very low | 34.6 | Very low | 83 Ų | 83 | 127.3 Ų | 127.3 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | | | trans | -175 | 54.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 318 | M | 36.6 | Very low | 34.8 | Very low | 187 Ų | 187 | 128.3 Ų | 128.3 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | | | trans | -63.9 | 132.5 | -176.9 | 45.8 | 166 | 62 | 0 | 0 | 115.3 | | |
| 319 | S | 37.3 | Very low | 35.2 | Very low | 116 Ų | 116 | 126 Ų | 126 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | trans | -173.6 | -178.1 | 151.7 | -126.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 320 | S | 35.3 | Very low | 35.3 | Very low | 107 Ų | 107 | 127 Ų | 127 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | | -174.4 | 123.9 | -93.4 | 52.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 321 | G | 34.6 | Very low | 35.4 | Very low | 87 Ų | 87 | 124.2 Ų | 124.2 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | | | trans | 107.3 | 154.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 322 | G | 30.5 | Very low | 35.7 | Very low | 72 Ų | 72 | 124.4 Ų | 124.4 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | cis | 178.4 | 105.3 | -5.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 323 | C | 33.1 | Very low | 34.9 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | | | trans | 43.9 | 137.1 | 144.2 | -48.6 | 0 | 0 | 0 | 0 | 123.6 | | |
| 324 | S | 30.5 | Very low | 35.1 | Very low | 120 Ų | 120 | 125 Ų | 125 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | | | trans | 95.8 | 110.1 | 137.3 | -60.2 | 0 | 0 | 0 | 0 | 122.7 | | |
| 325 | F | 38.5 | Very low | 35.2 | Very low | 200 Ų | 200 | 122.7 Ų | 122.7 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | | | trans | -64.7 | 179.2 | 138.9 | -63.1 | -81.1 | 0 | 0 | 0 | 110.3 | | |
| 326 | P | 50 | Low | 35.4 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 75% | 0.747 | 82% | 0.816 | S | S | * | * | | | cis | -152.7 | -137.6 | 32 | 39.7 | -11.6 | 0 | 0 | 0 | 114.4 | | |
| 327 | P | 58.8 | Low | 35.7 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 66% | 0.662 | 81% | 0.811 | S | S | * | * | | | | -123.4 | -167.8 | -65.8 | 25.4 | -3.6 | 0 | 0 | 0 | 114.5 | | |
| 328 | Q | 35.1 | Very low | 35.8 | Very low | 176 Ų | 176 | 128.1 Ų | 128.1 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | | | trans | 91.7 | 151.9 | 153.9 | -54.7 | -164 | 63.7 | 0 | 0 | 119 | | |
| 329 | S | 33 | Very low | 35.7 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | cis | -162.7 | 167.7 | -28.5 | -97.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 330 | C | 30.3 | Very low | 35.6 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 76% | 0.757 | 81% | 0.806 | S | S | * | * | | | trans | -66.3 | 162.9 | -172.5 | 55.6 | 0 | 0 | 0 | 0 | 118 | | |
| 331 | S | 31.1 | Very low | 35.5 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | -163.4 | 148 | 134.5 | -80.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 332 | S | 34.3 | Very low | 35.7 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | trans | -128 | 156.2 | -177.6 | -53.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 333 | N | 31.1 | Very low | 36 | Very low | 177 Ų | 177 | 133.2 Ų | 133.2 | 95% | 0.947 | 80% | 0.802 | S | S | * | * | | | trans | -155.3 | 164.9 | 155.4 | -121.5 | -26.9 | 0 | 0 | 0 | 113.9 | | |
| 334 | S | 35 | Very low | 36.2 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | | | trans | -121.2 | 161.1 | -160.8 | -177.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 335 | S | 32.8 | Very low | 36.4 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | | | trans | -156.4 | 150.7 | 161.7 | -74.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 336 | H | 34.7 | Very low | 36.4 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 80% | 0.801 | 80% | 0.795 | S | S | * | * | | | trans | -126.8 | 173.7 | -161.8 | -160.8 | -102.4 | 0 | 0 | 0 | 114.1 | | |
| 337 | L | 36.8 | Very low | 35.7 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | | | trans | -62.5 | 147.4 | -168.9 | -58.5 | 167.6 | 0 | 0 | 0 | 116.5 | | |
| 338 | A | 32.3 | Very low | 34.6 | Very low | 104 Ų | 104 | 143.3 Ų | 143.3 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | -159.3 | 153 | 137 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 339 | S | 33.9 | Very low | 34.6 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | | | trans | -98.9 | 165.5 | -171.8 | -48.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 340 | L | 35.3 | Very low | 34.7 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | | | | -176.7 | 108.2 | 124.2 | -99.1 | 170.9 | 0 | 0 | 0 | 115.4 | | |
| 341 | N | 33.7 | Very low | 35.7 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | | | trans | 61.2 | 165.2 | 133 | -130.5 | -35.4 | 0 | 0 | 0 | 123.5 | | |
| 342 | L | 38.7 | Very low | 35.8 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | | | trans | 72.1 | 133.9 | 174.6 | -55.3 | 169.8 | 0 | 0 | 0 | 116.8 | | |
| 343 | S | 38.2 | Very low | 36 | Very low | 103 Ų | 103 | 145.2 Ų | 145.2 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | | | cis | -156.1 | 144.6 | -17.7 | 56.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 344 | I | 36.7 | Very low | 36.1 | Very low | 162 Ų | 162 | 144 Ų | 144 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | | | trans | -98.8 | 124.4 | 177 | -63.1 | 171.3 | 0 | 0 | 0 | 108.7 | | |
| 345 | K | 33.3 | Very low | 35.9 | Very low | 189 Ų | 189 | 145 Ų | 145 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | | | trans | -105.6 | 95.7 | 165.2 | -90.3 | -173.3 | 62.8 | 170.4 | 0 | 110.5 | | |
| 346 | S | 39.6 | Very low | 36.2 | Very low | 108 Ų | 108 | 144.7 Ų | 144.7 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -88.8 | 138.1 | 157.9 | 47.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 347 | E | 34.4 | Very low | 37 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | | | trans | -143.2 | 158.4 | 164.2 | -146.2 | 176.2 | 117.2 | 0 | 0 | 109.6 | | |
| 348 | R | 36.1 | Very low | 36.7 | Very low | 240 Ų | 240 | 141 Ų | 141 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | | | trans | -153.5 | 119.2 | -160.9 | -172.5 | -170.7 | -162.4 | -169.1 | 7 | 109.1 | | |
| 349 | S | 35.2 | Very low | 36.9 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -135.3 | 112.2 | -176.4 | 44.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 350 | S | 35.8 | Very low | 37.6 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -103 | 148 | 156.7 | -61.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 351 | P | 51.1 | Low | 37.4 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 158.9 | 166.2 | 34.7 | -32.3 | 0 | 0 | 0 | 112.5 | | |
| 352 | D | 33 | Very low | 37.4 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 65% | 0.652 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 159.1 | -162.5 | -55.6 | -105.4 | 0 | 0 | 0 | 117.8 | M354 | D352-M354 HydrophobicContact CB-CE 4.34Š|
| 353 | H | 37.6 | Very low | 37.2 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | | | trans | -125.6 | 143.7 | 143.9 | -73.2 | -58.9 | 0 | 0 | 0 | 109.5 | | |
| 354 | M | 34.2 | Very low | 37 | Very low | 150 Ų | 150 | 146 Ų | 146 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | | | trans | -103.8 | 162 | -164.6 | -86.8 | -74.5 | 121 | 0 | 0 | 115 | D352 | D352-M354 HydrophobicContact CB-CE 4.34Š|
| 355 | C | 30.5 | Very low | 36.8 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | 72 | 105.9 | 159.5 | -66.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 356 | S | 38.5 | Very low | 36.6 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -101.3 | 161 | 137.4 | -48.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 357 | P | 53.1 | Low | 36.3 | Very low | 124 Ų | 124 | 146.2 Ų | 146.2 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | | | | -154.1 | 160.9 | 60.8 | 41.1 | -21 | 0 | 0 | 0 | 118.5 | | |
| 358 | S | 30.2 | Very low | 36.2 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | | | trans | -174.3 | 143.3 | 136.4 | 53.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 359 | S | 36.4 | Very low | 36.3 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -152 | 143.7 | 171.4 | -58.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 360 | P | 48.3 | Very low | 37 | Very low | 120 Ų | 120 | 140 Ų | 140 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | | | | -133.3 | 161.7 | 95.5 | 14.3 | 9.2 | 0 | 0 | 0 | 112.4 | | |
| 361 | R | 31.3 | Very low | 37.1 | Very low | 226 Ų | 226 | 141.4 Ų | 141.4 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | | | | 63.3 | 135.8 | 59.5 | -86.3 | -169.3 | -178.6 | -155.3 | 2 | 112.5 | | |
| 362 | L | 32.7 | Very low | 36.2 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 61% | 0.607 | 76% | 0.763 | S | S | * | * | | | cis | -162.8 | 166.7 | 20.7 | -108.9 | 160.2 | 0 | 0 | 0 | 112.7 | | |
| 363 | H | 34.8 | Very low | 36.3 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | | | trans | 61.7 | 170.7 | 153.2 | -72.3 | -48.4 | 0 | 0 | 0 | 120.8 | | |
| 364 | H | 33.8 | Very low | 36.2 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 70% | 0.704 | 77% | 0.766 | S | S | * | * | | | cis | -170.2 | 165.4 | -49.1 | -147.5 | 16.9 | 0 | 0 | 0 | 110.1 | | |
| 365 | L | 32.1 | Very low | 36 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | | | trans | 59.9 | 128.6 | 174 | -82.5 | 60.9 | 0 | 0 | 0 | 116.4 | | |
| 366 | R | 30.9 | Very low | 36.2 | Very low | 200 Ų | 200 | 135.5 Ų | 135.5 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | | 71.2 | 99.1 | 56.2 | -170.4 | -136.4 | -179.5 | 175.6 | 0.1 | 113.6 | | |
| 367 | Q | 32.9 | Very low | 36 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 61% | 0.607 | 76% | 0.755 | S | S | * | * | | | | 167.6 | 153.4 | 125.6 | -96.6 | 174.7 | -17.3 | 0 | 0 | 116 | | |
| 368 | H | 32.7 | Very low | 35.1 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | | | trans | 65.3 | 117 | 154.7 | -58.4 | -47.7 | 0 | 0 | 0 | 123.6 | | |
| 369 | S | 37.5 | Very low | 35.2 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | trans | -79.8 | 167.7 | 140.9 | -34.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 370 | P | 50.7 | Low | 35.1 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | | -155.9 | -170.3 | 87.8 | 40 | -18.9 | 0 | 0 | 0 | 116.8 | | |
| 371 | T | 36.9 | Very low | 35.3 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | | | trans | 71.9 | 139.1 | 167.5 | 67.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 372 | G | 31.4 | Very low | 36.1 | Very low | 70 Ų | 70 | 136.5 Ų | 136.5 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | | | cis | -171.6 | 174.4 | -3.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 373 | N | 35.3 | Very low | 36.2 | Very low | 168 Ų | 168 | 140 Ų | 140 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | | | trans | -38.9 | 158.2 | 173.4 | -55.9 | 5.2 | 0 | 0 | 0 | 115.9 | | |
| 374 | A | 36 | Very low | 36.1 | Very low | 87 Ų | 87 | 137.2 Ų | 137.2 | 72% | 0.719 | 77% | 0.773 | S | S | * | * | | | cis | -168.1 | -148.7 | -11.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 375 | D | 31 | Very low | 36.2 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | | | cis | -162.6 | 146.4 | 5.9 | -143.3 | 9.2 | 0 | 0 | 0 | 116.6 | | |
| 376 | V | 34.7 | Very low | 37.1 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | | | trans | 38.8 | 128.7 | 139.2 | 166.8 | 0 | 0 | 0 | 0 | 126.4 | | |
| 377 | A | 34 | Very low | 37.3 | Very low | 75 Ų | 75 | 132.4 Ų | 132.4 | 62% | 0.62 | 78% | 0.78 | S | S | * | * | | | trans | 77.6 | 118.2 | 144 | 0 | 0 | 0 | 0 | 0 | 125.7 | | |
| 378 | R | 32.8 | Very low | 37.3 | Very low | 225 Ų | 225 | 132.2 Ų | 132.2 | 85% | 0.849 | 78% | 0.784 | S | S | * | * | | | | 59.8 | 134.1 | 128.5 | -60.4 | 174 | -178.9 | 162.8 | 1 | 121 | | |
| 379 | H | 33.1 | Very low | 37.3 | Very low | 183 Ų | 183 | 134 Ų | 134 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | | | | -177.6 | 167.3 | 103.4 | -100.3 | -79.3 | 0 | 0 | 0 | 112.4 | | |
| 380 | S | 35.3 | Very low | 37.1 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | -127.7 | 175.3 | -171.1 | -53.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 381 | P | 52 | Low | 36.4 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | trans | -95 | 176.5 | -147.5 | 39.6 | -40.8 | 0 | 0 | 0 | 116.8 | | |
| 382 | P | 47.9 | Very low | 36.1 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -106.1 | 153.2 | 165 | 38.1 | -30.1 | 0 | 0 | 0 | 114.6 | | |
| 383 | E | 34.5 | Very low | 36.2 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | | | trans | -98.4 | 164.3 | 165 | -77.1 | -175.3 | 89.4 | 0 | 0 | 112.3 | | |
| 384 | A | 32.5 | Very low | 37 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | | | trans | -152.7 | 128.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 385 | H | 35.1 | Very low | 37 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | | | trans | -108.4 | -174.7 | 164.7 | -94.8 | -27.6 | 0 | 0 | 0 | 108.5 | | |
| 386 | P | 52.9 | Low | 37.1 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | cis | -145.9 | -179.6 | 14.1 | 44.8 | -25.6 | 0 | 0 | 0 | 118.9 | | |
| 387 | A | 34.6 | Very low | 36.7 | Very low | 93 Ų | 93 | 141.7 Ų | 141.7 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | trans | 69.4 | 165.7 | 150.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 388 | N | 32.3 | Very low | 36.6 | Very low | 126 Ų | 126 | 149.1 Ų | 149.1 | 67% | 0.674 | 80% | 0.803 | S | S | * | * | | | cis | -163.1 | 138.7 | 19.9 | -166.8 | 16 | 0 | 0 | 0 | 114.7 | | |
| 389 | R | 32 | Very low | 37.6 | Very low | 221 Ų | 221 | 143.3 Ų | 143.3 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | | | trans | 58.3 | 164.4 | 158.5 | -75.8 | 164 | -168.3 | -154.8 | 1.2 | 118.5 | | |
| 390 | T | 34.1 | Very low | 37.7 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | | | cis | -140.7 | 178.4 | 16.3 | -36.6 | 0 | 0 | 0 | 0 | 113 | | |
| 391 | K | 35.5 | Very low | 37.6 | Very low | 176 Ų | 176 | 145.7 Ų | 145.7 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | | | trans | -77 | -173.7 | -179.5 | -45.7 | 168.9 | -173.8 | 172.3 | 0 | 112.6 | | |
| 392 | E | 31 | Very low | 36.6 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | cis | -151.3 | 173.2 | 32.9 | -70.5 | -163.9 | 145.2 | 0 | 0 | 116.2 | | |
| 393 | L | 33 | Very low | 35.9 | Very low | 161 Ų | 161 | 146.7 Ų | 146.7 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | -124.3 | 168.6 | 170.4 | -98.3 | 157.3 | 0 | 0 | 0 | 106.4 | | |
| 394 | P | 52.7 | Low | 35.8 | Very low | 100 Ų | 100 | 144.1 Ų | 144.1 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | | | cis | -160.1 | -176.4 | 43.1 | 45.6 | -23.7 | 0 | 0 | 0 | 119.7 | | |
| 395 | K | 35.4 | Very low | 35.9 | Very low | 204 Ų | 204 | 149.6 Ų | 149.6 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | | | trans | 64.8 | 155.8 | 147.1 | -79 | 171.5 | 177.3 | -178.7 | 0 | 119.6 | | |
| 396 | A | 32.9 | Very low | 35.9 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | | | cis | -163.3 | 161 | -14.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 397 | G | 28.1 | Very low | 35.1 | Very low | 74 Ų | 74 | 147.9 Ų | 147.9 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | | | trans | 164.4 | 121.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 398 | Y | 31.5 | Very low | 35.4 | Very low | 231 Ų | 231 | 149.4 Ų | 149.4 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | | | trans | -158 | 167.9 | 175.4 | -97.7 | -64.9 | 0 | 0 | 0 | 107.1 | | |
| 399 | P | 53.8 | Low | 35.6 | Very low | 103 Ų | 103 | 149 Ų | 149 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | | | cis | -127.4 | -178 | -26.4 | 40.6 | -26.7 | 0 | 0 | 0 | 111.9 | | |
| 400 | Q | 34 | Very low | 35.7 | Very low | 190 Ų | 190 | 149.4 Ų | 149.4 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | | | trans | -155.4 | 149.6 | 141 | -157.1 | 160.7 | 11.6 | 0 | 0 | 111.1 | | |
| 401 | D | 33 | Very low | 35.7 | Very low | 156 Ų | 156 | 151.9 Ų | 151.9 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | | | trans | -88.4 | 162.4 | -167.7 | -50.3 | -89.9 | 0 | 0 | 0 | 114.8 | | |
| 402 | G | 31.3 | Very low | 35.5 | Very low | 77 Ų | 77 | 150.2 Ų | 150.2 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | 173.6 | 122.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 403 | E | 33.4 | Very low | 35.8 | Very low | 192 Ų | 192 | 150.1 Ų | 150.1 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | | | trans | -65 | 168.6 | 174.3 | -58.2 | 156 | 103.2 | 0 | 0 | 112.7 | | |
| 404 | E | 33.7 | Very low | 35.9 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 63% | 0.631 | 79% | 0.794 | S | S | * | * | | | cis | -153.6 | 167.2 | -0.1 | -145.4 | -151.6 | 137.3 | 0 | 0 | 110.3 | | |
| 405 | R | 34.4 | Very low | 35 | Very low | 212 Ų | 212 | 150.6 Ų | 150.6 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | | | trans | 37.4 | 113.9 | 144.2 | -173.6 | -172 | -57.1 | -112 | -5.7 | 120.8 | | |
| 406 | G | 34.6 | Very low | 35 | Very low | 74 Ų | 74 | 148.6 Ų | 148.6 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | | | trans | 158.7 | 102.2 | 148.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 407 | Q | 36.9 | Very low | 35.1 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | -100.2 | 137.3 | 169.2 | -66.5 | -175.9 | 8.5 | 0 | 0 | 112.2 | | |
| 408 | P | 39.2 | Very low | 35.4 | Very low | 124 Ų | 124 | 154.9 Ų | 154.9 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | | | trans | -105.7 | 126.7 | 148.6 | 33.3 | -26.1 | 0 | 0 | 0 | 110.6 | R410 | P408-R410 PolarHBondContact O-N 3.38Š|
| 409 | V | 36.7 | Very low | 35.6 | Very low | 118 Ų | 118 | 152.8 Ų | 152.8 | 72% | 0.715 | 80% | 0.802 | S | S | * | * | | | trans | -87.1 | 109 | -173.6 | 176.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 410 | R | 34.6 | Very low | 35 | Very low | 230 Ų | 230 | 162.2 Ų | 162.2 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | | | trans | 37.8 | 102.4 | 146.1 | -63.9 | -179 | 174.4 | 167.4 | -1.8 | 118.5 | P408 | P408-R410 PolarHBondContact O-N 3.38Š|
| 411 | Q | 33.1 | Very low | 35 | Very low | 181 Ų | 181 | 160.9 Ų | 160.9 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | | | trans | -64.8 | 139.9 | 140 | 178.4 | 176.6 | -18.7 | 0 | 0 | 109.3 | | |
| 412 | L | 33 | Very low | 35.1 | Very low | 141 Ų | 141 | 161.1 Ų | 161.1 | 74% | 0.738 | 82% | 0.82 | S | S | * | * | | | trans | -123 | 106.7 | 178.9 | -178.8 | 64.7 | 0 | 0 | 0 | 110.3 | M414 | L412-M414 HydrophobicContact CD1-CG 4.13Å; L412-M414 HydrophobicContact CD1-SD 4.39Å; L412-M414 HydrophobicContact CD2-CG 4.5Å; L412-M414 HydrophobicContact CD2-SD 4.12Å; L412-M414 HydrophobicContact CG-CG 4.1Å; L412-M414 HydrophobicContact CG-SD 4.35Å |
| 413 | E | 36.6 | Very low | 35.3 | Very low | 168 Ų | 168 | 165.8 Ų | 165.8 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | | | trans | -84.7 | 134.2 | 164.2 | -72.1 | -170.4 | 93.3 | 0 | 0 | 110.1 | | |
| 414 | M | 34.7 | Very low | 35.5 | Very low | 156 Ų | 156 | 164.2 Ų | 164.2 | 77% | 0.768 | 82% | 0.817 | S | S | * | * | | | trans | -141.2 | 79.8 | 167.5 | -69.5 | -170.9 | 72.6 | 0 | 0 | 110.9 | L412 | L412-M414 HydrophobicContact CD1-CG 4.13Å; L412-M414 HydrophobicContact CD1-SD 4.39Å; L412-M414 HydrophobicContact CD2-CG 4.5Å; L412-M414 HydrophobicContact CD2-SD 4.12Å; L412-M414 HydrophobicContact CG-CG 4.1Å; L412-M414 HydrophobicContact CG-SD 4.35Å |
| 415 | S | 33.7 | Very low | 35.6 | Very low | 116 Ų | 116 | 166.1 Ų | 166.1 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | | | trans | 30.9 | 122.2 | 142.5 | -47.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 416 | D | 35.7 | Very low | 35.6 | Very low | 161 Ų | 161 | 163 Ų | 163 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | | | trans | -58.7 | 140.1 | 155.1 | -85.6 | -63.6 | 0 | 0 | 0 | 111.7 | | |
| 417 | G | 34.3 | Very low | 35.7 | Very low | 73 Ų | 73 | 169.4 Ų | 169.4 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | | | trans | -135 | 112.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 418 | W | 34.4 | Very low | 35.6 | Very low | 234 Ų | 234 | 168.5 Ų | 168.5 | 89% | 0.886 | 83% | 0.834 | S | S | * | * | | | trans | -102.5 | 109.9 | 178.1 | -87.3 | 73.3 | 0 | 0 | 0 | 112.1 | | |
| 419 | Q | 37.3 | Very low | 35.3 | Very low | 187 Ų | 187 | 172.2 Ų | 172.2 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | | | trans | 174.7 | 145.4 | 152.5 | -98.2 | 150.6 | 73.7 | 0 | 0 | 108 | | |
| 420 | R | 39.8 | Very low | 35.2 | Very low | 301 Ų | 301 | 177.1 Ų | 177.1 | 100% | 1.136 | 85% | 0.848 | S | S | * | * | | | cis | -133 | 0 | 1.2 | 167.7 | -179.2 | -71.4 | -138.7 | -1.2 | 109.3 | | |