| 1 | M | 39.2 | Very low | 58.1 | Low | 213 Ų | 213 | 111 Ų | 111 | 100% | 1.049 | 60% | 0.596 | S | S | * | * | | | | 0 | 100.7 | 0 | -68.9 | -52.2 | -166.3 | 0 | 0 | 105.7 | Y3 | M1-Y3 PolarHBondContact O-N 3.23Š|
| 2 | D | 42.2 | Very low | 59.9 | Low | 164 Ų | 164 | 111.3 Ų | 111.3 | 88% | 0.877 | 59% | 0.591 | S | S | * | * | | | trans | -75.5 | 103.4 | -173 | -55 | -82.2 | 0 | 0 | 0 | 109.4 | S4 | D2-S4 PolarHBondContact O-N 3.39Š|
| 3 | Y | 46.3 | Very low | 61.8 | Low | 222 Ų | 222 | 108.7 Ų | 108.7 | 87% | 0.871 | 59% | 0.587 | S | S | * | * | | | trans | -76.2 | 76.7 | 166.9 | -80.7 | -88.6 | 0 | 0 | 0 | 108.6 | M1 S5 | M1-Y3 PolarHBondContact O-N 3.23Å; Y3-S5 PolarHBondContact O-N 3.5Å; Y3-S5 VanDerWaalsContact O-N 3.16Å |
| 4 | S | 49.2 | Very low | 63.6 | Low | 94 Ų | 94 | 107.4 Ų | 107.4 | 66% | 0.657 | 58% | 0.575 | S | S | * | * | | | trans | -78.6 | 81.2 | 159.3 | -170.1 | 0 | 0 | 0 | 0 | 107.1 | D2 D6 | D2-S4 PolarHBondContact O-N 3.39Å; S4-D6 PolarHBondContact O-N 3.27Å; S4-D6 VanDerWaalsContact O-N 3.15Å |
| 5 | S | 52.8 | Low | 65.1 | Low | 74 Ų | 74 | 101.2 Ų | 101.2 | 52% | 0.517 | 54% | 0.542 | S | S | . | . | | | trans | -66 | 110.1 | 165.2 | 52.9 | 0 | 0 | 0 | 0 | 107.2 | Y3 P7 D10 | Y3-S5 PolarHBondContact O-N 3.5Å; Y3-S5 VanDerWaalsContact O-N 3.16Å; S5-P7 WeakPolarHBondContact O-CD 3.26Å; S5-D10 WeakPolarHBondContact CB-OD2 3.35Å; S5-D10 PolarHBondContact OG-OD2 3.4Å |
| 6 | D | 60.1 | Low | 66.6 | Low | 98 Ų | 98 | 101.2 Ų | 101.2 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | | | trans | -64.4 | 121.9 | 176.7 | -76.7 | -45.5 | 0 | 0 | 0 | 107.8 | S4 L8 T9 D10 | S4-D6 PolarHBondContact O-N 3.27Å; S4-D6 VanDerWaalsContact O-N 3.15Å; D6-L8 PolarHBondContact O-N 3.19Å; D6-T9 WeakPolarHBondContact O-CB 3.26Å; D6-T9 PolarHBondContact O-N 3.4Å; D6-D10 PolarHBondContact O-N 3.33Å |
| 7 | P | 63.2 | Low | 68 | Low | 68 Ų | 68 | 99.5 Ų | 99.5 | 44% | 0.442 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.9 | -14.9 | -171.9 | 24 | -34.5 | 0 | 0 | 0 | 113.3 | S5 C11 | S5-P7 WeakPolarHBondContact O-CD 3.26Å; P7-C11 WeakPolarHBondContact O-CB 3.41Å; P7-C11 PolarHBondContact O-N 3.29Å |
| 8 | L | 63 | Low | 69.3 | Low | 114 Ų | 114 | 95.5 Ų | 95.5 | 60% | 0.597 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -71.8 | -35.3 | 171 | -60.9 | 175.1 | 0 | 0 | 0 | 112.2 | D6 C11 Q12 | D6-L8 PolarHBondContact O-N 3.19Å; L8-C11 WeakPolarHBondContact O-CB 3.41Å; L8-Q12 PolarHBondContact O-N 3.31Å; L8-Q12 VanDerWaalsContact O-N 3.1Å |
| 9 | T | 71.2 | Confident | 70.6 | Confident | 87 Ų | 87 | 94.7 Ų | 94.7 | 53% | 0.534 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.4 | -40.9 | 173.9 | -51.5 | 0 | 0 | 0 | 0 | 110.8 | D6 C11 Q12 S13 | D6-T9 WeakPolarHBondContact O-CB 3.26Å; D6-T9 PolarHBondContact O-N 3.4Å; T9-C11 VanDerWaalsContact C-N 3.34Å; T9-C11 PolarHBondContact O-N 3.12Å; T9-Q12 PolarHBondContact O-N 3.35Å; T9-S13 WeakPolarHBondContact O-CB 3.39Å; T9-S13 PolarHBondContact O-N 3.34Å |
| 10 | D | 75.9 | Confident | 71.7 | Confident | 68 Ų | 68 | 94.6 Ų | 94.6 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.4 | -37.9 | 176.6 | -63.2 | -27.5 | 0 | 0 | 0 | 111.5 | S5 D6 Q14 | S5-D10 WeakPolarHBondContact CB-OD2 3.35Å; S5-D10 PolarHBondContact OG-OD2 3.4Å; D6-D10 PolarHBondContact O-N 3.33Å; D10-Q14 WeakPolarHBondContact O-CG 3.12Å; D10-Q14 PolarHBondContact O-N 2.99Å; D10-Q14 PolarHBondContact O-NE2 3.02Å |
| 11 | C | 75.6 | Confident | 72.6 | Confident | 19 Ų | 19 | 95.2 Ų | 95.2 | 13% | 0.128 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -56 | -55.4 | 169.9 | 171.8 | 0 | 0 | 0 | 0 | 112 | P7 L8 T9 S13 Q14 M15 I86 | P7-C11 WeakPolarHBondContact O-CB 3.41Å; P7-C11 PolarHBondContact O-N 3.29Å; L8-C11 WeakPolarHBondContact O-CB 3.41Å; T9-C11 VanDerWaalsContact C-N 3.34Å; T9-C11 PolarHBondContact O-N 3.12Å; C11-S13 VanDerWaalsContact C-N 3.32Å; C11-S13 PolarHBondContact O-N 3.25Å; C11-Q14 PolarHBondContact O-N 2.98Å; C11-M15 PolarHBondContact O-N 2.96Å; C11-I86 HydrophobicContact CB-CD1 3.69Å; C11-I86 WeakPolarHBondContact SG-CD1 3.33Å |
| 12 | Q | 79.8 | Confident | 75.1 | Confident | 115 Ų | 115 | 85.3 Ų | 85.3 | 54% | 0.537 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.5 | -37.2 | -176.8 | -173 | 172.5 | 84.2 | 0 | 0 | 111.9 | L8 T9 M15 L16 | L8-Q12 PolarHBondContact O-N 3.31Å; L8-Q12 VanDerWaalsContact O-N 3.1Å; T9-Q12 PolarHBondContact O-N 3.35Å; Q12-M15 PolarHBondContact O-N 2.68Å; Q12-L16 HydrophobicContact CG-CD1 4.37Å; Q12-L16 WeakPolarHBondContact O-CG 3.31Å; Q12-L16 PolarHBondContact O-N 3.09Å |
| 13 | S | 85.5 | Confident | 77.4 | Confident | 77 Ų | 77 | 85 Ų | 85 | 54% | 0.538 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 175.2 | -170.1 | 0 | 0 | 0 | 0 | 112.4 | T9 C11 M15 L16 S17 | T9-S13 WeakPolarHBondContact O-CB 3.39Å; T9-S13 PolarHBondContact O-N 3.34Å; C11-S13 VanDerWaalsContact C-N 3.32Å; C11-S13 PolarHBondContact O-N 3.25Å; S13-M15 VanDerWaalsContact C-N 3.32Å; S13-M15 PolarHBondContact O-N 3.48Å; S13-L16 PolarHBondContact O-N 3.07Å; S13-S17 WeakPolarHBondContact O-CB 3.4Å; S13-S17 PolarHBondContact O-N 3.39Å |
| 14 | Q | 85.8 | Confident | 79.5 | Confident | 90 Ų | 90 | 79.3 Ų | 79.3 | 42% | 0.421 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62 | -40.2 | 173.3 | -74 | 175.3 | 68.4 | 0 | 0 | 111.9 | D10 C11 S17 F18 L82 | D10-Q14 WeakPolarHBondContact O-CG 3.12Å; D10-Q14 PolarHBondContact O-N 2.99Å; D10-Q14 PolarHBondContact O-NE2 3.02Å; C11-Q14 PolarHBondContact O-N 2.98Å; Q14-S17 PolarHBondContact O-N 3.23Å; Q14-F18 WeakPolarHBondContact O-CB 3.3Å; Q14-F18 PolarHBondContact O-N 3.33Å; Q14-L82 HydrophobicContact CB-CD2 4.3Å |
| 15 | M | 86.6 | Confident | 81.3 | Confident | 15 Ų | 15 | 78.1 Ų | 78.1 | 7% | 0.074 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 177.8 | -169.5 | 52.5 | 55.7 | 0 | 0 | 112.7 | C11 Q12 S13 F18 W19 E79 L82 R83 | C11-M15 PolarHBondContact O-N 2.96Å; Q12-M15 PolarHBondContact O-N 2.68Å; S13-M15 VanDerWaalsContact C-N 3.32Å; S13-M15 PolarHBondContact O-N 3.48Å; M15-F18 PolarHBondContact O-N 2.95Å; M15-F18 HydrophobicContact SD-CD1 4.16Å; M15-W19 VanDerWaalsContact O-CD1 3.28Å; M15-W19 PolarHBondContact O-N 3.48Å; M15-E79 HydrophobicContact CE-CG 4.01Å; M15-E79 HydrophobicContact SD-CG 3.77Å; M15-E79 VanDerWaalsContact SD-OE1 3.33Å; M15-L82 HydrophobicContact CE-CD2 3.6Å; M15-R83 HydrophobicContact CE-CG 3.4Å; M15-R83 VanDerWaalsContact CE-CG 3.4Å |
| 16 | L | 88.5 | Confident | 82.9 | Confident | 101 Ų | 101 | 78.1 Ų | 78.1 | 53% | 0.529 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.8 | -47 | 175.8 | -70 | 170.2 | 0 | 0 | 0 | 111 | Q12 S13 F18 W19 D20 | Q12-L16 HydrophobicContact CG-CD1 4.37Å; Q12-L16 WeakPolarHBondContact O-CG 3.31Å; Q12-L16 PolarHBondContact O-N 3.09Å; S13-L16 PolarHBondContact O-N 3.07Å; L16-F18 VanDerWaalsContact C-N 3.31Å; L16-F18 PolarHBondContact O-N 3.13Å; L16-W19 PolarHBondContact O-N 3.47Å; L16-W19 VanDerWaalsContact O-N 3.14Å; L16-D20 PolarHBondContact O-N 3.35Å |
| 17 | S | 91.1 | Very high | 84.1 | Confident | 72 Ų | 72 | 80.2 Ų | 80.2 | 50% | 0.503 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61 | -38.2 | 177.1 | -176.6 | 0 | 0 | 0 | 0 | 112.8 | S13 Q14 L21 | S13-S17 WeakPolarHBondContact O-CB 3.4Å; S13-S17 PolarHBondContact O-N 3.39Å; Q14-S17 PolarHBondContact O-N 3.23Å; S17-L21 WeakPolarHBondContact O-CB 3.28Å; S17-L21 PolarHBondContact O-N 3.38Å |
| 18 | F | 91.8 | Very high | 85 | Confident | 28 Ų | 28 | 79.6 Ų | 79.6 | 12% | 0.123 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.7 | -50.4 | 172.1 | 167.2 | -101.4 | 0 | 0 | 0 | 111 | Q14 M15 L16 D20 L21 I22 R78 E79 | Q14-F18 WeakPolarHBondContact O-CB 3.3Å; Q14-F18 PolarHBondContact O-N 3.33Å; M15-F18 PolarHBondContact O-N 2.95Å; M15-F18 HydrophobicContact SD-CD1 4.16Å; L16-F18 VanDerWaalsContact C-N 3.31Å; L16-F18 PolarHBondContact O-N 3.13Å; F18-D20 PolarHBondContact O-N 3.4Å; F18-L21 PolarHBondContact O-N 2.97Å; F18-I22 HydrophobicContact CD1-CG1 4.46Å; F18-I22 HydrophobicContact CD2-CG1 4.09Å; F18-I22 HydrophobicContact CE1-CG1 4.06Å; F18-I22 HydrophobicContact CE2-CD1 3.96Å; F18-I22 HydrophobicContact CE2-CG1 3.66Å; F18-I22 HydrophobicContact CG-CG1 4.48Å; F18-I22 HydrophobicContact CZ-CD1 4.2Å; F18-I22 HydrophobicContact CZ-CG1 3.65Å; F18-I22 WeakPolarHBondContact O-CG1 3.36Å; F18-I22 PolarHBondContact O-N 3.28Å; F18-R78 HydrophobicContact CE2-CB 3.95Å; F18-R78 HydrophobicContact CZ-CB 3.8Å; F18-E79 HydrophobicContact CE1-CB 4.06Å |
| 19 | W | 92.9 | Very high | 85.6 | Confident | 81 Ų | 81 | 77.9 Ų | 77.9 | 31% | 0.307 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.5 | -33.8 | -179.1 | -83.1 | 114.7 | 0 | 0 | 0 | 113.6 | M15 L16 I22 R23 E79 | M15-W19 VanDerWaalsContact O-CD1 3.28Å; M15-W19 PolarHBondContact O-N 3.48Å; L16-W19 PolarHBondContact O-N 3.47Å; L16-W19 VanDerWaalsContact O-N 3.14Å; W19-I22 HydrophobicContact CE3-CB 4.32Å; W19-I22 HydrophobicContact CE3-CG2 4.08Å; W19-I22 HydrophobicContact CZ3-CG2 4.02Å; W19-I22 PolarHBondContact O-N 3.09Å; W19-R23 VanDerWaalsContact O-CG 3.27Å; W19-R23 WeakPolarHBondContact O-CG 3.45Å; W19-R23 PolarHBondContact O-N 3.13Å; W19-E79 WeakPolarHBondContact CZ2-OE2 3.41Å; W19-E79 PolarHBondContact NE1-OE1 2.66Å |
| 20 | D | 92.7 | Very high | 85.3 | Confident | 92 Ų | 92 | 78.9 Ų | 78.9 | 49% | 0.492 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 173 | -72.9 | -28.5 | 0 | 0 | 0 | 111.6 | L16 F18 R23 V24 | L16-D20 PolarHBondContact O-N 3.35Å; F18-D20 PolarHBondContact O-N 3.4Å; D20-R23 PolarHBondContact O-N 3.14Å; D20-V24 PolarHBondContact O-N 2.94Å; D20-V24 VanDerWaalsContact O-N 3.16Å |
| 21 | L | 91.8 | Very high | 84.6 | Confident | 108 Ų | 108 | 81.2 Ų | 81.2 | 57% | 0.565 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61.6 | -45.2 | 173.5 | -180 | 64.9 | 0 | 0 | 0 | 111.7 | S17 F18 R23 V24 E25 | S17-L21 WeakPolarHBondContact O-CB 3.28Å; S17-L21 PolarHBondContact O-N 3.38Å; F18-L21 PolarHBondContact O-N 2.97Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 3.14Å; L21-V24 PolarHBondContact O-N 3.38Å; L21-E25 PolarHBondContact O-N 3.36Å |
| 22 | I | 91.5 | Very high | 84 | Confident | 5 Ų | 5 | 84.9 Ų | 84.9 | 3% | 0.026 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -63.7 | -34.5 | 177.9 | -70 | -52.4 | 0 | 0 | 0 | 111.9 | F18 W19 E25 I26 L75 | F18-I22 HydrophobicContact CD1-CG1 4.46Å; F18-I22 HydrophobicContact CD2-CG1 4.09Å; F18-I22 HydrophobicContact CE1-CG1 4.06Å; F18-I22 HydrophobicContact CE2-CD1 3.96Å; F18-I22 HydrophobicContact CE2-CG1 3.66Å; F18-I22 HydrophobicContact CG-CG1 4.48Å; F18-I22 HydrophobicContact CZ-CD1 4.2Å; F18-I22 HydrophobicContact CZ-CG1 3.65Å; F18-I22 WeakPolarHBondContact O-CG1 3.36Å; F18-I22 PolarHBondContact O-N 3.28Å; W19-I22 HydrophobicContact CE3-CB 4.32Å; W19-I22 HydrophobicContact CE3-CG2 4.08Å; W19-I22 HydrophobicContact CZ3-CG2 4.02Å; W19-I22 PolarHBondContact O-N 3.09Å; I22-E25 WeakPolarHBondContact CD1-OE2 3.23Å; I22-E25 PolarHBondContact O-N 3.04Å; I22-I26 HydrophobicContact CG2-CD1 3.66Å; I22-I26 HydrophobicContact CG2-CG1 4.32Å; I22-I26 WeakPolarHBondContact O-CB 3.26Å; I22-I26 WeakPolarHBondContact O-CG1 3.4Å; I22-I26 PolarHBondContact O-N 3.5Å; I22-L75 HydrophobicContact CB-CD2 4.39Å; I22-L75 HydrophobicContact CD1-CD2 3.51Å; I22-L75 HydrophobicContact CG1-CD2 3.85Å; I22-L75 HydrophobicContact CG2-CD1 3.82Å; I22-L75 HydrophobicContact CG2-CD2 3.6Å; I22-L75 HydrophobicContact CG2-CG 4.35Å |
| 23 | R | 90.5 | Very high | 83.1 | Confident | 156 Ų | 156 | 86.7 Ų | 86.7 | 59% | 0.589 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.2 | -48.1 | 173.3 | -75.1 | 166.8 | -178.5 | -163.1 | 0.4 | 111.5 | W19 D20 L21 E25 I26 D27 | W19-R23 VanDerWaalsContact O-CG 3.27Å; W19-R23 WeakPolarHBondContact O-CG 3.45Å; W19-R23 PolarHBondContact O-N 3.13Å; D20-R23 PolarHBondContact O-N 3.14Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 3.14Å; R23-E25 VanDerWaalsContact C-N 3.3Å; R23-E25 PolarHBondContact O-N 3.18Å; R23-I26 PolarHBondContact O-N 3.34Å; R23-D27 WeakPolarHBondContact O-CB 3.48Å; R23-D27 PolarHBondContact O-N 2.96Å |
| 24 | V | 90.4 | Very high | 81.9 | Confident | 103 Ų | 103 | 86.1 Ų | 86.1 | 62% | 0.624 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.1 | -38.9 | 176.2 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | D20 L21 G28 | D20-V24 PolarHBondContact O-N 2.94Å; D20-V24 VanDerWaalsContact O-N 3.16Å; L21-V24 PolarHBondContact O-N 3.38Å; V24-G28 PolarHBondContact O-N 2.97Å |
| 25 | E | 86.5 | Confident | 80.6 | Confident | 69 Ų | 69 | 83.6 Ų | 83.6 | 32% | 0.322 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.5 | -50.7 | 173.3 | -167.7 | -163.9 | 135.7 | 0 | 0 | 111.1 | L21 I22 R23 G28 L29 K71 R78 | L21-E25 PolarHBondContact O-N 3.36Å; I22-E25 WeakPolarHBondContact CD1-OE2 3.23Å; I22-E25 PolarHBondContact O-N 3.04Å; R23-E25 VanDerWaalsContact C-N 3.3Å; R23-E25 PolarHBondContact O-N 3.18Å; E25-G28 CarbonylContact O-C 3.59Å; E25-G28 PolarHBondContact O-N 3.31Å; E25-L29 WeakPolarHBondContact O-CG 3.44Å; E25-L29 PolarHBondContact O-N 3.29Å; E25-L29 VanDerWaalsContact O-N 3.12Å; E25-K71 IonicContact OE1-NZ 3.45Å; E25-K71 PolarHBondContact OE1-NZ 3.29Å; E25-R78 IonicContact OE2-NH1 3.86Å |
| 26 | I | 86.5 | Confident | 79.6 | Confident | 74 Ų | 74 | 86.1 Ų | 86.1 | 38% | 0.379 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | -178.8 | -70.6 | 167 | 0 | 0 | 0 | 111.7 | I22 R23 G28 L29 L75 | I22-I26 HydrophobicContact CG2-CD1 3.66Å; I22-I26 HydrophobicContact CG2-CG1 4.32Å; I22-I26 WeakPolarHBondContact O-CB 3.26Å; I22-I26 WeakPolarHBondContact O-CG1 3.4Å; I22-I26 PolarHBondContact O-N 3.5Å; R23-I26 PolarHBondContact O-N 3.34Å; I26-G28 PolarHBondContact O-N 2.99Å; I26-L29 WeakPolarHBondContact O-CB 3.28Å; I26-L29 PolarHBondContact O-N 3.12Å; I26-L29 VanDerWaalsContact O-N 3.09Å; I26-L75 HydrophobicContact CD1-CD1 4.14Å |
| 27 | D | 86 | Confident | 78.5 | Confident | 142 Ų | 142 | 89.4 Ų | 89.4 | 76% | 0.759 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.7 | -27.7 | 176.7 | -70.4 | -22.8 | 0 | 0 | 0 | 111.8 | R23 | R23-D27 WeakPolarHBondContact O-CB 3.48Å; R23-D27 PolarHBondContact O-N 2.96Å |
| 28 | G | 80.9 | Confident | 77.5 | Confident | 56 Ų | 56 | 91.3 Ų | 91.3 | 58% | 0.577 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -79.6 | -12.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | V24 E25 I26 K30 | V24-G28 PolarHBondContact O-N 2.97Å; E25-G28 CarbonylContact O-C 3.59Å; E25-G28 PolarHBondContact O-N 3.31Å; I26-G28 PolarHBondContact O-N 2.99Å; G28-K30 PolarHBondContact O-N 3.04Å; G28-K30 VanDerWaalsContact O-N 3.08Å |
| 29 | L | 75.9 | Confident | 76.9 | Confident | 78 Ų | 78 | 92.2 Ų | 92.2 | 41% | 0.408 | 49% | 0.491 | S | S | . | . | | | trans | -68.9 | 107.8 | 178.8 | -70 | 176.6 | 0 | 0 | 0 | 110.5 | E25 I26 C31 | E25-L29 WeakPolarHBondContact O-CG 3.44Å; E25-L29 PolarHBondContact O-N 3.29Å; E25-L29 VanDerWaalsContact O-N 3.12Å; I26-L29 WeakPolarHBondContact O-CB 3.28Å; I26-L29 PolarHBondContact O-N 3.12Å; I26-L29 VanDerWaalsContact O-N 3.09Å; L29-C31 PolarHBondContact O-N 3.23Å |
| 30 | K | 66.1 | Low | 76.5 | Confident | 108 Ų | 108 | 94.1 Ų | 94.1 | 47% | 0.47 | 51% | 0.507 | S | S | . | . | | | trans | -56.2 | 136.4 | 172.3 | -68.3 | -175.9 | 175.5 | -177.3 | 0 | 110.9 | G28 D32 M393 | G28-K30 PolarHBondContact O-N 3.04Å; G28-K30 VanDerWaalsContact O-N 3.08Å; K30-D32 HydrophobicContact CB-CB 4.36Å; K30-D32 WeakPolarHBondContact CD-OD2 3.46Å; K30-D32 PolarHBondContact O-N 2.99Å; K30-M393 WeakPolarHBondContact CE-SD 3.46Å; K30-M393 PolarHBondContact NZ-SD 3.23Å |
| 31 | C | 60.9 | Low | 76.3 | Confident | 117 Ų | 117 | 92.3 Ų | 92.3 | 79% | 0.791 | 50% | 0.498 | S | S | * | . | | | trans | -70.1 | 28.3 | 172.6 | -156.8 | 0 | 0 | 0 | 0 | 113.3 | L29 | L29-C31 PolarHBondContact O-N 3.23Š|
| 32 | D | 61.6 | Low | 76.3 | Confident | 95 Ų | 95 | 91.3 Ų | 91.3 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | | | trans | -82.3 | 121.2 | 176.5 | -74.2 | -40.7 | 0 | 0 | 0 | 109.3 | K30 A34 A35 | K30-D32 HydrophobicContact CB-CB 4.36Å; K30-D32 WeakPolarHBondContact CD-OD2 3.46Å; K30-D32 PolarHBondContact O-N 2.99Å; D32-A34 PolarHBondContact O-N 2.92Å; D32-A35 PolarHBondContact O-N 3.19Å |
| 33 | H | 60.7 | Low | 76.3 | Confident | 153 Ų | 153 | 93.8 Ų | 93.8 | 71% | 0.708 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -3.1 | 175.1 | -62.8 | -62 | 0 | 0 | 0 | 115.1 | | |
| 34 | A | 60.5 | Low | 76.4 | Confident | 65 Ų | 65 | 90.3 Ų | 90.3 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -39.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D32 F36 K37 | D32-A34 PolarHBondContact O-N 2.92Å; A34-F36 VanDerWaalsContact C-N 3.29Å; A34-F36 PolarHBondContact O-N 3.01Å; A34-K37 WeakPolarHBondContact O-CB 3.37Å; A34-K37 PolarHBondContact O-N 3.47Å; A34-K37 VanDerWaalsContact O-N 3.09Å |
| 35 | A | 59.3 | Low | 76.7 | Confident | 37 Ų | 37 | 91.8 Ų | 91.8 | 31% | 0.306 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -60.4 | -39.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D32 K37 T38 | D32-A35 PolarHBondContact O-N 3.19Å; A35-K37 PolarHBondContact O-N 3.3Å; A35-T38 PolarHBondContact O-N 3.48Å; A35-T38 PolarHBondContact O-OG1 3.01Å |
| 36 | F | 66.3 | Low | 77 | Confident | 68 Ų | 68 | 89.5 Ų | 89.5 | 30% | 0.298 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -74.8 | -0.6 | 179 | -55.5 | -62.4 | 0 | 0 | 0 | 115.3 | A34 I67 | A34-F36 VanDerWaalsContact C-N 3.29Å; A34-F36 PolarHBondContact O-N 3.01Å; F36-I67 HydrophobicContact CB-CD1 4.1Å; F36-I67 HydrophobicContact CB-CG2 3.73Å; F36-I67 HydrophobicContact CD1-CG2 3.31Å; F36-I67 HydrophobicContact CE1-CG2 4.11Å; F36-I67 HydrophobicContact CG-CG2 3.71Å |
| 37 | K | 64.3 | Low | 77.3 | Confident | 170 Ų | 170 | 90.4 Ų | 90.4 | 74% | 0.739 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -87.3 | -26.9 | 175.1 | -69.3 | 177.7 | -179.1 | 176.8 | 0 | 112.9 | A34 A35 | A34-K37 WeakPolarHBondContact O-CB 3.37Å; A34-K37 PolarHBondContact O-N 3.47Å; A34-K37 VanDerWaalsContact O-N 3.09Å; A35-K37 PolarHBondContact O-N 3.3Å |
| 38 | T | 70 | Confident | 77.7 | Confident | 113 Ų | 113 | 90.2 Ų | 90.2 | 69% | 0.693 | 49% | 0.493 | S | S | * | . | | | trans | -101.4 | 96.9 | 174.1 | 46.9 | 0 | 0 | 0 | 0 | 107.7 | A35 | A35-T38 PolarHBondContact O-N 3.48Å; A35-T38 PolarHBondContact O-OG1 3.01Å |
| 39 | Q | 79.4 | Confident | 78.3 | Confident | 47 Ų | 47 | 91.8 Ų | 91.8 | 22% | 0.22 | 49% | 0.487 | C | S | . | . | | | trans | -126.6 | 136.7 | 174.6 | -59.6 | -70.6 | -86.1 | 0 | 0 | 106.8 | L41 L43 A70 | Q39-L41 PolarHBondContact O-N 3.28Å; Q39-L43 HydrophobicContact CG-CD2 4.4Å; Q39-A70 HydrophobicContact CB-CB 4.09Å; Q39-A70 HydrophobicContact CG-CB 4.22Å |
| 40 | D | 84.2 | Confident | 79.1 | Confident | 120 Ų | 120 | 89.6 Ų | 89.6 | 64% | 0.642 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -59.1 | -30.5 | -179.4 | -59.5 | -17.5 | 0 | 0 | 0 | 111.7 | | |
| 41 | L | 88.8 | Confident | 80.4 | Confident | 55 Ų | 55 | 87.8 Ų | 87.8 | 29% | 0.288 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -100.4 | 126.2 | -179 | -62.9 | 175.1 | 0 | 0 | 0 | 112 | Q39 L43 I46 A70 A73 | Q39-L41 PolarHBondContact O-N 3.28Å; L41-L43 PolarHBondContact O-N 3.16Å; L41-L43 VanDerWaalsContact O-N 3.14Å; L41-I46 HydrophobicContact CB-CD1 3.96Å; L41-A70 HydrophobicContact CB-CB 4.48Å; L41-A73 HydrophobicContact CD1-CB 3.51Å |
| 42 | P | 92.4 | Very high | 81.8 | Confident | 86 Ų | 86 | 88.3 Ų | 88.3 | 56% | 0.558 | 46% | 0.461 | S | S | * | . | | | trans | -68.9 | 114.2 | -175.8 | 23.5 | -31.6 | 0 | 0 | 0 | 112.2 | A44 R45 I46 | P42-A44 PolarHBondContact O-N 3.07Å; P42-R45 HydrophobicContact CG-CB 3.97Å; P42-R45 WeakPolarHBondContact O-CA 3.42Å; P42-R45 WeakPolarHBondContact O-CB 3.29Å; P42-R45 PolarHBondContact O-N 3.07Å; P42-I46 PolarHBondContact O-N 3.25Å |
| 43 | L | 91.8 | Very high | 83.2 | Confident | 58 Ų | 58 | 87.6 Ų | 87.6 | 30% | 0.304 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -51.2 | -33.3 | -177.4 | -57.7 | -177.9 | 0 | 0 | 0 | 114 | Q39 L41 R45 I46 K47 P66 I67 A70 | Q39-L43 HydrophobicContact CG-CD2 4.4Å; L41-L43 PolarHBondContact O-N 3.16Å; L41-L43 VanDerWaalsContact O-N 3.14Å; L43-R45 VanDerWaalsContact C-N 3.34Å; L43-R45 PolarHBondContact O-N 3.38Å; L43-I46 HydrophobicContact CD2-CD1 4.42Å; L43-I46 PolarHBondContact O-N 2.8Å; L43-K47 VanDerWaalsContact O-CB 3.31Å; L43-K47 WeakPolarHBondContact O-CB 3.42Å; L43-K47 PolarHBondContact O-N 3.03Å; L43-P66 HydrophobicContact CB-CB 4.47Å; L43-P66 HydrophobicContact CD2-CB 4.35Å; L43-P66 WeakPolarHBondContact CD2-O 3.45Å; L43-I67 HydrophobicContact CD1-CG1 4.09Å; L43-I67 HydrophobicContact CD2-CG1 4.3Å; L43-A70 HydrophobicContact CD2-CB 3.96Å |
| 44 | A | 92 | Very high | 84.3 | Confident | 82 Ų | 82 | 85.4 Ų | 85.4 | 68% | 0.678 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -65.7 | -33.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P42 K48 | P42-A44 PolarHBondContact O-N 3.07Å; A44-K48 WeakPolarHBondContact O-CB 3.26Å; A44-K48 PolarHBondContact O-N 3.2Å; A44-K48 VanDerWaalsContact O-N 3.13Å |
| 45 | R | 95.4 | Very high | 85.3 | Confident | 134 Ų | 134 | 88.6 Ų | 88.6 | 51% | 0.506 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -73 | -44.9 | 175.9 | -178.3 | 57 | 169 | 160.6 | -3.4 | 110.7 | P42 L43 K48 I49 | P42-R45 HydrophobicContact CG-CB 3.97Å; P42-R45 WeakPolarHBondContact O-CA 3.42Å; P42-R45 WeakPolarHBondContact O-CB 3.29Å; P42-R45 PolarHBondContact O-N 3.07Å; L43-R45 VanDerWaalsContact C-N 3.34Å; L43-R45 PolarHBondContact O-N 3.38Å; R45-K48 WeakPolarHBondContact O-CB 3.23Å; R45-K48 PolarHBondContact O-N 2.86Å; R45-K48 VanDerWaalsContact O-N 3.14Å; R45-I49 HydrophobicContact CG-CD1 4.28Å; R45-I49 WeakPolarHBondContact O-CG1 3.36Å; R45-I49 PolarHBondContact O-N 3.45Å |
| 46 | I | 94.4 | Very high | 86.2 | Confident | 21 Ų | 21 | 89.4 Ų | 89.4 | 11% | 0.108 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -56.3 | -52.9 | 174.6 | -61.2 | 173.4 | 0 | 0 | 0 | 109.8 | L41 P42 L43 K48 I49 M50 P66 F69 A70 | L41-I46 HydrophobicContact CB-CD1 3.96Å; P42-I46 PolarHBondContact O-N 3.25Å; L43-I46 HydrophobicContact CD2-CD1 4.42Å; L43-I46 PolarHBondContact O-N 2.8Å; I46-K48 PolarHBondContact O-N 3.41Å; I46-I49 WeakPolarHBondContact O-CB 3.31Å; I46-I49 PolarHBondContact O-N 2.99Å; I46-M50 HydrophobicContact CG2-CG 4.47Å; I46-M50 HydrophobicContact CG2-SD 4.18Å; I46-M50 WeakPolarHBondContact O-CG 3.49Å; I46-M50 PolarHBondContact O-N 3.23Å; I46-P66 HydrophobicContact CG2-CB 4.33Å; I46-F69 HydrophobicContact CG2-CB 3.65Å; I46-F69 HydrophobicContact CG2-CG 4.46Å; I46-A70 HydrophobicContact CD1-CB 3.61Å |
| 47 | K | 92.4 | Very high | 86.6 | Confident | 94 Ų | 94 | 91.8 Ų | 91.8 | 41% | 0.409 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.8 | -29.7 | 177.7 | -173.2 | 170 | -176.7 | 165.8 | 0 | 113.6 | L43 K51 I61 P66 | L43-K47 VanDerWaalsContact O-CB 3.31Å; L43-K47 WeakPolarHBondContact O-CB 3.42Å; L43-K47 PolarHBondContact O-N 3.03Å; K47-K51 PolarHBondContact O-N 3.11Å; K47-I61 HydrophobicContact CG-CD1 4.31Å; K47-P66 HydrophobicContact CB-CG 4.36Å |
| 48 | K | 93.6 | Very high | 87 | Confident | 137 Ų | 137 | 89.6 Ų | 89.6 | 60% | 0.596 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -72.4 | -37.9 | 173.4 | -175.4 | 173.1 | 179.1 | 177.3 | 0 | 111.9 | A44 R45 I46 K51 L52 | A44-K48 WeakPolarHBondContact O-CB 3.26Å; A44-K48 PolarHBondContact O-N 3.2Å; A44-K48 VanDerWaalsContact O-N 3.13Å; R45-K48 WeakPolarHBondContact O-CB 3.23Å; R45-K48 PolarHBondContact O-N 2.86Å; R45-K48 VanDerWaalsContact O-N 3.14Å; I46-K48 PolarHBondContact O-N 3.41Å; K48-K51 PolarHBondContact O-N 3.41Å; K48-L52 PolarHBondContact O-N 2.78Å |
| 49 | I | 94.6 | Very high | 87.6 | Confident | 89 Ų | 89 | 90.2 Ų | 90.2 | 46% | 0.456 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.7 | -45.6 | 175.5 | -66.4 | 164.8 | 0 | 0 | 0 | 110.3 | R45 I46 K51 L52 | R45-I49 HydrophobicContact CG-CD1 4.28Å; R45-I49 WeakPolarHBondContact O-CG1 3.36Å; R45-I49 PolarHBondContact O-N 3.45Å; I46-I49 WeakPolarHBondContact O-CB 3.31Å; I46-I49 PolarHBondContact O-N 2.99Å; I49-K51 PolarHBondContact O-N 3.33Å; I49-K51 VanDerWaalsContact O-N 3.09Å; I49-L52 HydrophobicContact CG2-CD1 4.42Å; I49-L52 VanDerWaalsContact O-CB 3.3Å; I49-L52 WeakPolarHBondContact O-CB 3.15Å; I49-L52 WeakPolarHBondContact O-CG 3.42Å; I49-L52 PolarHBondContact O-N 3.44Å |
| 50 | M | 93 | Very high | 87.9 | Confident | 32 Ų | 32 | 97.1 Ų | 97.1 | 16% | 0.158 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -57.9 | -24.8 | 175.1 | -63.8 | 175.2 | 75.5 | 0 | 0 | 113.7 | I46 I56 I61 A65 P66 F69 | I46-M50 HydrophobicContact CG2-CG 4.47Å; I46-M50 HydrophobicContact CG2-SD 4.18Å; I46-M50 WeakPolarHBondContact O-CG 3.49Å; I46-M50 PolarHBondContact O-N 3.23Å; M50-I56 WeakPolarHBondContact O-CB 3.36Å; M50-I56 VanDerWaalsContact O-CG2 3.26Å; M50-I56 WeakPolarHBondContact O-CG2 3.49Å; M50-I61 HydrophobicContact CB-CD1 3.71Å; M50-I61 HydrophobicContact CE-CD1 4.23Å; M50-I61 HydrophobicContact CE-CG1 4.48Å; M50-I61 HydrophobicContact CE-CG2 3.57Å; M50-I61 HydrophobicContact SD-CD1 4.37Å; M50-I61 HydrophobicContact SD-CG2 4.11Å; M50-A65 HydrophobicContact CE-CB 4.04Å; M50-P66 HydrophobicContact SD-CG 4.25Å; M50-F69 HydrophobicContact CE-CD2 3.87Å; M50-F69 HydrophobicContact CE-CE2 3.74Å; M50-F69 HydrophobicContact SD-CD2 3.88Å; M50-F69 HydrophobicContact SD-CE2 4.28Å |
| 51 | K | 92.2 | Very high | 88 | Confident | 71 Ų | 71 | 92.6 Ų | 92.6 | 31% | 0.309 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 9.5 | 177.2 | -76.5 | -173.7 | 166.2 | -77 | 0 | 114.2 | K47 K48 I49 D53 K57 M59 I61 | K47-K51 PolarHBondContact O-N 3.11Å; K48-K51 PolarHBondContact O-N 3.41Å; I49-K51 PolarHBondContact O-N 3.33Å; I49-K51 VanDerWaalsContact O-N 3.09Å; K51-D53 VanDerWaalsContact C-N 3.35Å; K51-K57 PolarHBondContact NZ-O 2.97Å; K51-M59 PolarHBondContact NZ-O 3.29Å; K51-I61 HydrophobicContact CD-CD1 4.35Å; K51-I61 HydrophobicContact CG-CD1 3.72Å |
| 52 | L | 91.2 | Very high | 88.1 | Confident | 127 Ų | 127 | 93 Ų | 93 | 67% | 0.665 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -75.6 | -29.2 | 168.1 | -63.9 | 175.9 | 0 | 0 | 0 | 111.5 | K48 I49 | K48-L52 PolarHBondContact O-N 2.78Å; I49-L52 HydrophobicContact CG2-CD1 4.42Å; I49-L52 VanDerWaalsContact O-CB 3.3Å; I49-L52 WeakPolarHBondContact O-CB 3.15Å; I49-L52 WeakPolarHBondContact O-CG 3.42Å; I49-L52 PolarHBondContact O-N 3.44Å |
| 53 | D | 90.7 | Very high | 87.9 | Confident | 80 Ų | 80 | 92.8 Ų | 92.8 | 43% | 0.428 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -68.2 | 124.5 | 170.7 | -171.3 | -24.1 | 0 | 0 | 0 | 110 | K51 D55 I56 K57 | K51-D53 VanDerWaalsContact C-N 3.35Å; D53-D55 VanDerWaalsContact C-N 3.29Å; D53-D55 PolarHBondContact O-N 3.45Å; D53-D55 PolarHBondContact OD1-N 3.48Å; D53-I56 HydrophobicContact CB-CB 4.22Å; D53-I56 HydrophobicContact CB-CD1 4.01Å; D53-I56 HydrophobicContact CB-CG1 4.07Å; D53-I56 PolarHBondContact O-N 2.93Å; D53-K57 WeakPolarHBondContact O-CB 3.19Å; D53-K57 PolarHBondContact O-N 3.46Å |
| 54 | D | 84.3 | Confident | 87.7 | Confident | 107 Ų | 107 | 96.2 Ų | 96.2 | 57% | 0.572 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.9 | -28.2 | -177.2 | -82.7 | -46.2 | 0 | 0 | 0 | 112.6 | K57 | D54-K57 WeakPolarHBondContact O-CB 3.27Å; D54-K57 VanDerWaalsContact OD1-CD 3.26Å; D54-K57 WeakPolarHBondContact OD1-CD 3.48Å; D54-K57 IonicContact OD1-NZ 3.97Å; D54-K57 PolarHBondContact OD1-NZ 2.84Å |
| 55 | D | 81 | Confident | 87.7 | Confident | 133 Ų | 133 | 93.6 Ų | 93.6 | 71% | 0.711 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -72.5 | -39.1 | 176.8 | -74.5 | -21.2 | 0 | 0 | 0 | 111.2 | D53 | D53-D55 VanDerWaalsContact C-N 3.29Å; D53-D55 PolarHBondContact O-N 3.45Å; D53-D55 PolarHBondContact OD1-N 3.48Å |
| 56 | I | 78.7 | Confident | 87.6 | Confident | 53 Ų | 53 | 87.6 Ų | 87.6 | 27% | 0.272 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -78.3 | -23.7 | 179.1 | -55.3 | 178.1 | 0 | 0 | 0 | 111.7 | M50 D53 C58 M59 I61 | M50-I56 WeakPolarHBondContact O-CB 3.36Å; M50-I56 VanDerWaalsContact O-CG2 3.26Å; M50-I56 WeakPolarHBondContact O-CG2 3.49Å; D53-I56 HydrophobicContact CB-CB 4.22Å; D53-I56 HydrophobicContact CB-CD1 4.01Å; D53-I56 HydrophobicContact CB-CG1 4.07Å; D53-I56 PolarHBondContact O-N 2.93Å; I56-C58 VanDerWaalsContact C-N 3.32Å; I56-C58 PolarHBondContact O-N 2.95Å; I56-M59 PolarHBondContact O-N 3.39Å; I56-I61 HydrophobicContact CG2-CD1 3.82Å; I56-I61 HydrophobicContact CG2-CG1 3.83Å |
| 57 | K | 74.5 | Confident | 87.4 | Confident | 118 Ų | 118 | 88.3 Ų | 88.3 | 51% | 0.513 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -53.9 | -44.6 | -177.9 | -169.6 | 168.7 | 176.4 | 174 | 0 | 113.1 | K51 D53 D54 | K51-K57 PolarHBondContact NZ-O 2.97Å; D53-K57 WeakPolarHBondContact O-CB 3.19Å; D53-K57 PolarHBondContact O-N 3.46Å; D54-K57 WeakPolarHBondContact O-CB 3.27Å; D54-K57 VanDerWaalsContact OD1-CD 3.26Å; D54-K57 WeakPolarHBondContact OD1-CD 3.48Å; D54-K57 IonicContact OD1-NZ 3.97Å; D54-K57 PolarHBondContact OD1-NZ 2.84Å |
| 58 | C | 72.4 | Confident | 87.3 | Confident | 124 Ų | 124 | 89.8 Ų | 89.8 | 84% | 0.838 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -80.6 | -17.9 | 176.5 | -72.3 | 0 | 0 | 0 | 0 | 113.7 | I56 | I56-C58 VanDerWaalsContact C-N 3.32Å; I56-C58 PolarHBondContact O-N 2.95Å |
| 59 | M | 82.1 | Confident | 87.3 | Confident | 127 Ų | 127 | 88.6 Ų | 88.6 | 63% | 0.626 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -81.6 | 154.6 | 178 | -68.8 | -163.1 | 167.6 | 0 | 0 | 113.3 | K51 I56 | K51-M59 PolarHBondContact NZ-O 3.29Å; I56-M59 PolarHBondContact O-N 3.39Å |
| 60 | M | 86.1 | Confident | 87.3 | Confident | 192 Ų | 192 | 84.4 Ų | 84.4 | 95% | 0.946 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -83.5 | 129.7 | 164.2 | -65.1 | -166.7 | -178.7 | 0 | 0 | 109.1 | | |
| 61 | I | 85.3 | Confident | 87.1 | Confident | 24 Ų | 24 | 84.6 Ų | 84.6 | 12% | 0.123 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -93.6 | 127.8 | 175.3 | -60.1 | 168.1 | 0 | 0 | 0 | 107.7 | K47 M50 K51 I56 A65 P66 | K47-I61 HydrophobicContact CG-CD1 4.31Å; M50-I61 HydrophobicContact CB-CD1 3.71Å; M50-I61 HydrophobicContact CE-CD1 4.23Å; M50-I61 HydrophobicContact CE-CG1 4.48Å; M50-I61 HydrophobicContact CE-CG2 3.57Å; M50-I61 HydrophobicContact SD-CD1 4.37Å; M50-I61 HydrophobicContact SD-CG2 4.11Å; K51-I61 HydrophobicContact CD-CD1 4.35Å; K51-I61 HydrophobicContact CG-CD1 3.72Å; I56-I61 HydrophobicContact CG2-CD1 3.82Å; I56-I61 HydrophobicContact CG2-CG1 3.83Å; I61-A65 HydrophobicContact CG2-CB 4.06Å; I61-P66 HydrophobicContact CG2-CG 4.2Å |
| 62 | S | 91.6 | Very high | 87.2 | Confident | 64 Ų | 64 | 83.7 Ų | 83.7 | 45% | 0.448 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 150.6 | 174.1 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | E64 A65 P66 | S62-E64 PolarHBondContact O-N 2.96Å; S62-E64 PolarHBondContact OG-N 3.07Å; S62-E64 PolarHBondContact OG-OE2 3.33Å; S62-A65 PolarHBondContact O-N 2.84Å; S62-P66 WeakPolarHBondContact O-CD 3.22Å |
| 63 | A | 88 | Confident | 87.4 | Confident | 81 Ų | 81 | 79.2 Ų | 79.2 | 67% | 0.669 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -63.1 | -25.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I67 | A63-I67 WeakPolarHBondContact O-CD1 3.28Š|
| 64 | E | 88.7 | Confident | 87.4 | Confident | 131 Ų | 131 | 76.4 Ų | 76.4 | 61% | 0.612 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -78.2 | -34.2 | -177.5 | -63.6 | 155.2 | 153.9 | 0 | 0 | 112.6 | S62 I67 L68 | S62-E64 PolarHBondContact O-N 2.96Å; S62-E64 PolarHBondContact OG-N 3.07Å; S62-E64 PolarHBondContact OG-OE2 3.33Å; E64-I67 WeakPolarHBondContact O-CB 3.42Å; E64-I67 PolarHBondContact O-N 2.95Å; E64-L68 PolarHBondContact O-N 3.5Å |
| 65 | A | 91.7 | Very high | 87.8 | Confident | 27 Ų | 27 | 72 Ų | 72 | 22% | 0.223 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.2 | -43.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | M50 I61 S62 I67 L68 F69 | M50-A65 HydrophobicContact CE-CB 4.04Å; I61-A65 HydrophobicContact CG2-CB 4.06Å; S62-A65 PolarHBondContact O-N 2.84Å; A65-I67 PolarHBondContact O-N 2.83Å; A65-L68 PolarHBondContact O-N 3.48Å; A65-F69 VanDerWaalsContact O-CD2 3.28Å; A65-F69 WeakPolarHBondContact O-CD2 3.2Å; A65-F69 PolarHBondContact O-N 3.2Å |
| 66 | P | 92.1 | Very high | 88.5 | Confident | 7 Ų | 7 | 68.7 Ų | 68.7 | 5% | 0.045 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.6 | -28.3 | 173.3 | -24 | 35.1 | 0 | 0 | 0 | 114 | L43 I46 K47 M50 I61 S62 A70 | L43-P66 HydrophobicContact CB-CB 4.47Å; L43-P66 HydrophobicContact CD2-CB 4.35Å; L43-P66 WeakPolarHBondContact CD2-O 3.45Å; I46-P66 HydrophobicContact CG2-CB 4.33Å; K47-P66 HydrophobicContact CB-CG 4.36Å; M50-P66 HydrophobicContact SD-CG 4.25Å; I61-P66 HydrophobicContact CG2-CG 4.2Å; S62-P66 WeakPolarHBondContact O-CD 3.22Å; P66-A70 PolarHBondContact O-N 3Å |
| 67 | I | 90.2 | Very high | 89.2 | Confident | 36 Ų | 36 | 69.9 Ų | 69.9 | 19% | 0.185 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -72.7 | -47.7 | 178 | -61.5 | 168.5 | 0 | 0 | 0 | 109.3 | F36 L43 A63 E64 A65 F69 A70 K71 | F36-I67 HydrophobicContact CB-CD1 4.1Å; F36-I67 HydrophobicContact CB-CG2 3.73Å; F36-I67 HydrophobicContact CD1-CG2 3.31Å; F36-I67 HydrophobicContact CE1-CG2 4.11Å; F36-I67 HydrophobicContact CG-CG2 3.71Å; L43-I67 HydrophobicContact CD1-CG1 4.09Å; L43-I67 HydrophobicContact CD2-CG1 4.3Å; A63-I67 WeakPolarHBondContact O-CD1 3.28Å; E64-I67 WeakPolarHBondContact O-CB 3.42Å; E64-I67 PolarHBondContact O-N 2.95Å; A65-I67 PolarHBondContact O-N 2.83Å; I67-F69 VanDerWaalsContact C-N 3.31Å; I67-F69 PolarHBondContact O-N 3.14Å; I67-A70 WeakPolarHBondContact O-CB 3.49Å; I67-A70 PolarHBondContact O-N 3.32Å; I67-A70 VanDerWaalsContact O-N 3.11Å; I67-K71 PolarHBondContact O-N 3.45Å |
| 68 | L | 91.4 | Very high | 90.1 | Very high | 125 Ų | 125 | 68.9 Ų | 68.9 | 65% | 0.654 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -58.7 | -43.2 | 174 | -66.7 | 173.5 | 0 | 0 | 0 | 111.5 | E64 A65 A70 K71 A72 | E64-L68 PolarHBondContact O-N 3.5Å; A65-L68 PolarHBondContact O-N 3.48Å; L68-A70 VanDerWaalsContact C-N 3.32Å; L68-A70 PolarHBondContact O-N 3.17Å; L68-K71 PolarHBondContact O-N 3.43Å; L68-A72 VanDerWaalsContact O-CB 3.23Å; L68-A72 WeakPolarHBondContact O-CB 3.43Å; L68-A72 PolarHBondContact O-N 3.09Å |
| 69 | F | 94.2 | Very high | 91.1 | Very high | 112 Ų | 112 | 63.1 Ų | 63.1 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66 | -30 | 175.5 | -86.8 | -64.6 | 0 | 0 | 0 | 113.7 | I46 M50 A65 I67 A73 | I46-F69 HydrophobicContact CG2-CB 3.65Å; I46-F69 HydrophobicContact CG2-CG 4.46Å; M50-F69 HydrophobicContact CE-CD2 3.87Å; M50-F69 HydrophobicContact CE-CE2 3.74Å; M50-F69 HydrophobicContact SD-CD2 3.88Å; M50-F69 HydrophobicContact SD-CE2 4.28Å; A65-F69 VanDerWaalsContact O-CD2 3.28Å; A65-F69 WeakPolarHBondContact O-CD2 3.2Å; A65-F69 PolarHBondContact O-N 3.2Å; I67-F69 VanDerWaalsContact C-N 3.31Å; I67-F69 PolarHBondContact O-N 3.14Å; F69-A73 WeakPolarHBondContact O-CB 3.31Å; F69-A73 PolarHBondContact O-N 2.94Å |
| 70 | A | 92.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 2% | 0.017 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64 | -52.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q39 L41 L43 I46 P66 I67 L68 A73 E74 | Q39-A70 HydrophobicContact CB-CB 4.09Å; Q39-A70 HydrophobicContact CG-CB 4.22Å; L41-A70 HydrophobicContact CB-CB 4.48Å; L43-A70 HydrophobicContact CD2-CB 3.96Å; I46-A70 HydrophobicContact CD1-CB 3.61Å; P66-A70 PolarHBondContact O-N 3Å; I67-A70 WeakPolarHBondContact O-CB 3.49Å; I67-A70 PolarHBondContact O-N 3.32Å; I67-A70 VanDerWaalsContact O-N 3.11Å; L68-A70 VanDerWaalsContact C-N 3.32Å; L68-A70 PolarHBondContact O-N 3.17Å; A70-A73 PolarHBondContact O-N 2.9Å; A70-E74 WeakPolarHBondContact O-CB 3.43Å; A70-E74 PolarHBondContact O-N 2.73Å |
| 71 | K | 90.6 | Very high | 92 | Very high | 36 Ų | 36 | 51.9 Ų | 51.9 | 16% | 0.157 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 178 | -169.8 | 56 | 169.4 | -173.4 | 0 | 112.5 | E25 I67 L68 A73 E74 L75 | E25-K71 IonicContact OE1-NZ 3.45Å; E25-K71 PolarHBondContact OE1-NZ 3.29Å; I67-K71 PolarHBondContact O-N 3.45Å; L68-K71 PolarHBondContact O-N 3.43Å; K71-A73 PolarHBondContact O-N 3.31Å; K71-E74 WeakPolarHBondContact CD-OE2 3.11Å; K71-E74 IonicContact NZ-OE1 2.73Å; K71-E74 PolarHBondContact NZ-OE1 2.88Å; K71-E74 IonicContact NZ-OE2 3.52Å; K71-E74 PolarHBondContact NZ-OE2 3.36Å; K71-E74 WeakPolarHBondContact O-CB 3.46Å; K71-E74 PolarHBondContact O-N 3.33Å; K71-L75 HydrophobicContact CD-CG 4.45Å; K71-L75 HydrophobicContact CG-CD1 4.31Å; K71-L75 VanDerWaalsContact O-CG 3.28Å; K71-L75 WeakPolarHBondContact O-CG 3.43Å; K71-L75 PolarHBondContact O-N 3.12Å |
| 72 | A | 93 | Very high | 92.3 | Very high | 52 Ų | 52 | 53 Ų | 53 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L68 F76 | L68-A72 VanDerWaalsContact O-CB 3.23Å; L68-A72 WeakPolarHBondContact O-CB 3.43Å; L68-A72 PolarHBondContact O-N 3.09Å; A72-F76 WeakPolarHBondContact O-CB 3.46Å; A72-F76 PolarHBondContact O-N 3.46Å |
| 73 | A | 95.2 | Very high | 92.3 | Very high | 32 Ų | 32 | 51.5 Ų | 51.5 | 26% | 0.264 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.5 | -37.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L41 F69 A70 K71 F76 I77 | L41-A73 HydrophobicContact CD1-CB 3.51Å; F69-A73 WeakPolarHBondContact O-CB 3.31Å; F69-A73 PolarHBondContact O-N 2.94Å; A70-A73 PolarHBondContact O-N 2.9Å; K71-A73 PolarHBondContact O-N 3.31Å; A73-F76 PolarHBondContact O-N 2.9Å; A73-I77 WeakPolarHBondContact O-CB 3.4Å; A73-I77 WeakPolarHBondContact O-CD1 3.31Å; A73-I77 VanDerWaalsContact O-CG1 3.22Å; A73-I77 WeakPolarHBondContact O-CG1 3.42Å; A73-I77 PolarHBondContact O-N 3.25Å |
| 74 | E | 92.2 | Very high | 92.6 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56 | -50.9 | 171.1 | -179.2 | -161.2 | 141.9 | 0 | 0 | 111.2 | A70 K71 I77 R78 | A70-E74 WeakPolarHBondContact O-CB 3.43Å; A70-E74 PolarHBondContact O-N 2.73Å; K71-E74 WeakPolarHBondContact CD-OE2 3.11Å; K71-E74 IonicContact NZ-OE1 2.73Å; K71-E74 PolarHBondContact NZ-OE1 2.88Å; K71-E74 IonicContact NZ-OE2 3.52Å; K71-E74 PolarHBondContact NZ-OE2 3.36Å; K71-E74 WeakPolarHBondContact O-CB 3.46Å; K71-E74 PolarHBondContact O-N 3.33Å; E74-I77 PolarHBondContact O-N 3.48Å; E74-R78 WeakPolarHBondContact O-CG 3.25Å; E74-R78 PolarHBondContact O-N 3.45Å; E74-R78 VanDerWaalsContact O-N 3.12Å; E74-R78 IonicContact OE1-CZ 2.69Å; E74-R78 IonicContact OE1-NH1 2.66Å; E74-R78 PolarHBondContact OE1-NH1 3.37Å; E74-R78 IonicContact OE1-NH2 2.67Å; E74-R78 PolarHBondContact OE1-NH2 2.96Å |
| 75 | L | 92.6 | Very high | 92.8 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 7% | 0.073 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.5 | -43.6 | 178.5 | -64.8 | 177.1 | 0 | 0 | 0 | 112.4 | I22 I26 K71 I77 R78 E79 | I22-L75 HydrophobicContact CB-CD2 4.39Å; I22-L75 HydrophobicContact CD1-CD2 3.51Å; I22-L75 HydrophobicContact CG1-CD2 3.85Å; I22-L75 HydrophobicContact CG2-CD1 3.82Å; I22-L75 HydrophobicContact CG2-CD2 3.6Å; I22-L75 HydrophobicContact CG2-CG 4.35Å; I26-L75 HydrophobicContact CD1-CD1 4.14Å; K71-L75 HydrophobicContact CD-CG 4.45Å; K71-L75 HydrophobicContact CG-CD1 4.31Å; K71-L75 VanDerWaalsContact O-CG 3.28Å; K71-L75 WeakPolarHBondContact O-CG 3.43Å; K71-L75 PolarHBondContact O-N 3.12Å; L75-I77 PolarHBondContact O-N 3.34Å; L75-R78 PolarHBondContact O-N 2.88Å; L75-E79 PolarHBondContact O-N 2.97Å |
| 76 | F | 94.3 | Very high | 92.8 | Very high | 63 Ų | 63 | 45.2 Ų | 45.2 | 28% | 0.276 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 177.1 | 170.2 | -100.2 | 0 | 0 | 0 | 112.4 | A72 A73 L80 F113 F115 L116 | A72-F76 WeakPolarHBondContact O-CB 3.46Å; A72-F76 PolarHBondContact O-N 3.46Å; A73-F76 PolarHBondContact O-N 2.9Å; F76-L80 HydrophobicContact CE1-CD2 4.15Å; F76-L80 HydrophobicContact CZ-CD2 3.93Å; F76-L80 VanDerWaalsContact O-CB 3.25Å; F76-L80 WeakPolarHBondContact O-CB 3.45Å; F76-L80 PolarHBondContact O-N 2.9Å; F76-F113 HydrophobicContact CD2-CE1 4.25Å; F76-F113 AromaticContact CE2-CD1 3.98Å; F76-F113 HydrophobicContact CE2-CD1 3.98Å; F76-F113 AromaticContact CE2-CE1 3.73Å; F76-F113 HydrophobicContact CE2-CE1 3.73Å; F76-F115 HydrophobicContact CE2-CE1 4.17Å; F76-F115 AromaticContact CE2-CZ 3.62Å; F76-F115 HydrophobicContact CE2-CZ 3.62Å; F76-F115 AromaticContact CZ-CZ 3.77Å; F76-F115 HydrophobicContact CZ-CZ 3.77Å; F76-L116 HydrophobicContact CZ-CD1 4.13Å |
| 77 | I | 95 | Very high | 92.7 | Very high | 78 Ų | 78 | 45.5 Ų | 45.5 | 40% | 0.4 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.2 | -42.6 | 176.7 | -69.8 | 164.9 | 0 | 0 | 0 | 110.4 | A73 E74 L75 T81 | A73-I77 WeakPolarHBondContact O-CB 3.4Å; A73-I77 WeakPolarHBondContact O-CD1 3.31Å; A73-I77 VanDerWaalsContact O-CG1 3.22Å; A73-I77 WeakPolarHBondContact O-CG1 3.42Å; A73-I77 PolarHBondContact O-N 3.25Å; E74-I77 PolarHBondContact O-N 3.48Å; L75-I77 PolarHBondContact O-N 3.34Å; I77-T81 WeakPolarHBondContact O-CB 3.46Å; I77-T81 PolarHBondContact O-N 3.28Å; I77-T81 PolarHBondContact O-OG1 3.21Å |
| 78 | R | 93.4 | Very high | 92.8 | Very high | 98 Ų | 98 | 43.8 Ų | 43.8 | 37% | 0.37 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.9 | -51 | 176.6 | -72 | 178.8 | -172.4 | 160.2 | 11.6 | 112 | F18 E25 E74 L75 T81 L82 | F18-R78 HydrophobicContact CE2-CB 3.95Å; F18-R78 HydrophobicContact CZ-CB 3.8Å; E25-R78 IonicContact OE2-NH1 3.86Å; E74-R78 WeakPolarHBondContact O-CG 3.25Å; E74-R78 PolarHBondContact O-N 3.45Å; E74-R78 VanDerWaalsContact O-N 3.12Å; E74-R78 IonicContact OE1-CZ 2.69Å; E74-R78 IonicContact OE1-NH1 2.66Å; E74-R78 PolarHBondContact OE1-NH1 3.37Å; E74-R78 IonicContact OE1-NH2 2.67Å; E74-R78 PolarHBondContact OE1-NH2 2.96Å; L75-R78 PolarHBondContact O-N 2.88Å; R78-T81 PolarHBondContact O-N 3.46Å; R78-L82 WeakPolarHBondContact O-CB 3.22Å; R78-L82 PolarHBondContact O-N 3.01Å |
| 79 | E | 92.2 | Very high | 92.9 | Very high | 3 Ų | 3 | 43 Ų | 43 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.1 | -52 | 178.2 | 171.3 | 169.6 | -133.5 | 0 | 0 | 111.6 | M15 F18 W19 L75 T81 L82 R83 Q112 F113 | M15-E79 HydrophobicContact CE-CG 4.01Å; M15-E79 HydrophobicContact SD-CG 3.77Å; M15-E79 VanDerWaalsContact SD-OE1 3.33Å; F18-E79 HydrophobicContact CE1-CB 4.06Å; W19-E79 WeakPolarHBondContact CZ2-OE2 3.41Å; W19-E79 PolarHBondContact NE1-OE1 2.66Å; L75-E79 PolarHBondContact O-N 2.97Å; E79-T81 VanDerWaalsContact C-N 3.3Å; E79-T81 PolarHBondContact O-N 3.46Å; E79-L82 PolarHBondContact O-N 2.69Å; E79-R83 WeakPolarHBondContact O-CG 3.34Å; E79-R83 PolarHBondContact O-N 3.35Å; E79-R83 IonicContact OE1-CZ 3.26Å; E79-R83 IonicContact OE1-NE 2.65Å; E79-R83 PolarHBondContact OE1-NE 3.33Å; E79-R83 IonicContact OE1-NH2 3.48Å; E79-R83 PolarHBondContact OE1-NH2 2.75Å; E79-Q112 PolarHBondContact OE2-NE2 2.97Å; E79-F113 HydrophobicContact CG-CZ 4.19Å |
| 80 | L | 93.2 | Very high | 92.7 | Very high | 24 Ų | 24 | 46 Ų | 46 | 13% | 0.126 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -39 | -177.9 | -179 | 60.7 | 0 | 0 | 0 | 111.7 | F76 A84 I101 V105 F113 | F76-L80 HydrophobicContact CE1-CD2 4.15Å; F76-L80 HydrophobicContact CZ-CD2 3.93Å; F76-L80 VanDerWaalsContact O-CB 3.25Å; F76-L80 WeakPolarHBondContact O-CB 3.45Å; F76-L80 PolarHBondContact O-N 2.9Å; L80-A84 WeakPolarHBondContact O-CB 3.4Å; L80-A84 PolarHBondContact O-N 2.67Å; L80-I101 HydrophobicContact CD1-CG2 4.35Å; L80-I101 HydrophobicContact CD2-CG2 4.31Å; L80-I101 HydrophobicContact CG-CG2 4.43Å; L80-V105 HydrophobicContact CD1-CG2 3.84Å; L80-F113 HydrophobicContact CD1-CD1 4.42Å; L80-F113 HydrophobicContact CD1-CE1 4.28Å |
| 81 | T | 94 | Very high | 92.6 | Very high | 58 Ų | 58 | 49.4 Ų | 49.4 | 36% | 0.356 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.8 | -40.4 | 176.9 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | I77 R78 E79 A84 W85 L96 | I77-T81 WeakPolarHBondContact O-CB 3.46Å; I77-T81 PolarHBondContact O-N 3.28Å; I77-T81 PolarHBondContact O-OG1 3.21Å; R78-T81 PolarHBondContact O-N 3.46Å; E79-T81 VanDerWaalsContact C-N 3.3Å; E79-T81 PolarHBondContact O-N 3.46Å; T81-A84 PolarHBondContact O-N 3.22Å; T81-W85 VanDerWaalsContact O-CB 3.3Å; T81-W85 WeakPolarHBondContact O-CB 3.38Å; T81-W85 PolarHBondContact O-N 3.2Å; T81-L96 HydrophobicContact CG2-CD2 4.31Å |
| 82 | L | 92.9 | Very high | 92.7 | Very high | 48 Ų | 48 | 59 Ų | 59 | 25% | 0.251 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 177.9 | -169 | 142.9 | 0 | 0 | 0 | 111.7 | Q14 M15 R78 E79 W85 I86 | Q14-L82 HydrophobicContact CB-CD2 4.3Å; M15-L82 HydrophobicContact CE-CD2 3.6Å; R78-L82 WeakPolarHBondContact O-CB 3.22Å; R78-L82 PolarHBondContact O-N 3.01Å; E79-L82 PolarHBondContact O-N 2.69Å; L82-W85 PolarHBondContact O-N 3.09Å; L82-I86 HydrophobicContact CD2-CD1 4.43Å |
| 83 | R | 91.7 | Very high | 92.8 | Very high | 32 Ų | 32 | 59.4 Ų | 59.4 | 12% | 0.121 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 173 | -65.4 | -178.5 | -175.1 | -137.8 | 16.5 | 112 | M15 E79 I86 A104 T110 | M15-R83 HydrophobicContact CE-CG 3.4Å; M15-R83 VanDerWaalsContact CE-CG 3.4Å; E79-R83 WeakPolarHBondContact O-CG 3.34Å; E79-R83 PolarHBondContact O-N 3.35Å; E79-R83 IonicContact OE1-CZ 3.26Å; E79-R83 IonicContact OE1-NE 2.65Å; E79-R83 PolarHBondContact OE1-NE 3.33Å; E79-R83 IonicContact OE1-NH2 3.48Å; E79-R83 PolarHBondContact OE1-NH2 2.75Å; R83-I86 PolarHBondContact O-N 3.48Å; R83-A104 HydrophobicContact CB-CB 3.85Å; R83-T110 PolarHBondContact NH1-OG1 2.98Å |
| 84 | A | 92.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.8 | -30.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L80 T81 I86 H87 T88 L96 D100 I101 A104 | L80-A84 WeakPolarHBondContact O-CB 3.4Å; L80-A84 PolarHBondContact O-N 2.67Å; T81-A84 PolarHBondContact O-N 3.22Å; A84-I86 VanDerWaalsContact C-N 3.26Å; A84-I86 PolarHBondContact O-N 2.94Å; A84-H87 PolarHBondContact O-N 2.95Å; A84-T88 PolarHBondContact O-N 2.86Å; A84-T88 PolarHBondContact O-OG1 2.93Å; A84-L96 HydrophobicContact CB-CD1 3.74Å; A84-D100 HydrophobicContact CB-CB 4.37Å; A84-D100 WeakPolarHBondContact O-CB 3.33Å; A84-I101 HydrophobicContact CB-CB 4.48Å; A84-I101 HydrophobicContact CB-CG1 3.93Å; A84-A104 HydrophobicContact CB-CB 4.02Å |
| 85 | W | 93.5 | Very high | 92.9 | Very high | 78 Ų | 78 | 69.3 Ų | 69.3 | 30% | 0.295 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.8 | -34.9 | 178 | -172.1 | -104.2 | 0 | 0 | 0 | 112.4 | T81 L82 H87 T88 E89 L96 I510 | T81-W85 VanDerWaalsContact O-CB 3.3Å; T81-W85 WeakPolarHBondContact O-CB 3.38Å; T81-W85 PolarHBondContact O-N 3.2Å; L82-W85 PolarHBondContact O-N 3.09Å; W85-H87 VanDerWaalsContact C-N 3.29Å; W85-H87 PolarHBondContact O-N 3.12Å; W85-T88 HydrophobicContact CE3-CG2 4.25Å; W85-T88 HydrophobicContact CZ3-CG2 4.12Å; W85-T88 CarbonylContact O-C 3.46Å; W85-T88 WeakPolarHBondContact O-CA 3.46Å; W85-T88 WeakPolarHBondContact O-CB 3.45Å; W85-T88 PolarHBondContact O-N 3.21Å; W85-E89 PolarHBondContact NE1-OE1 2.88Å; W85-E89 PolarHBondContact O-N 3.02Å; W85-L96 HydrophobicContact CE3-CD1 4.26Å; W85-I510 HydrophobicContact CZ3-CD1 4.44Å |
| 86 | I | 91.4 | Very high | 93 | Very high | 29 Ų | 29 | 70.9 Ų | 70.9 | 15% | 0.149 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.9 | -35.3 | 178.9 | -66.6 | 158.6 | 0 | 0 | 0 | 111.8 | C11 L82 R83 A84 T88 R90 | C11-I86 HydrophobicContact CB-CD1 3.69Å; C11-I86 WeakPolarHBondContact SG-CD1 3.33Å; L82-I86 HydrophobicContact CD2-CD1 4.43Å; R83-I86 PolarHBondContact O-N 3.48Å; A84-I86 VanDerWaalsContact C-N 3.26Å; A84-I86 PolarHBondContact O-N 2.94Å; I86-T88 VanDerWaalsContact C-N 3.34Å; I86-R90 WeakPolarHBondContact O-CB 3.41Å; I86-R90 PolarHBondContact O-N 3.05Å |
| 87 | H | 90.5 | Very high | 93 | Very high | 14 Ų | 14 | 71.9 Ų | 71.9 | 7% | 0.065 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.1 | -31.8 | 171.6 | -66.3 | -67 | 0 | 0 | 0 | 112.9 | A84 W85 N91 D100 M103 D107 | A84-H87 PolarHBondContact O-N 2.95Å; W85-H87 VanDerWaalsContact C-N 3.29Å; W85-H87 PolarHBondContact O-N 3.12Å; H87-N91 VanDerWaalsContact O-CB 3.26Å; H87-N91 WeakPolarHBondContact O-CB 3.21Å; H87-N91 PolarHBondContact O-N 2.88Å; H87-N91 VanDerWaalsContact O-N 3.07Å; H87-N91 PolarHBondContact O-ND2 3Å; H87-N91 VanDerWaalsContact O-ND2 3.16Å; H87-D100 HydrophobicContact CB-CB 3.98Å; H87-M103 WeakPolarHBondContact ND1-CE 3.37Å; H87-D107 IonicContact CD2-OD2 3.07Å; H87-D107 IonicContact CE1-OD1 2.69Å; H87-D107 IonicContact CE1-OD2 3.58Å; H87-D107 PolarHBondContact CE1-OD2 3.29Å; H87-D107 VanDerWaalsContact CE1-OD2 3.26Å; H87-D107 IonicContact NE2-OD1 3.04Å; H87-D107 IonicContact NE2-OD2 3.69Å; H87-D107 PolarHBondContact NE2-OD2 2.95Å |
| 88 | T | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.4 | -48.2 | 174.7 | -55.5 | 0 | 0 | 0 | 0 | 110.6 | A84 W85 I86 N91 R92 R93 T95 D100 | A84-T88 PolarHBondContact O-N 2.86Å; A84-T88 PolarHBondContact O-OG1 2.93Å; W85-T88 HydrophobicContact CE3-CG2 4.25Å; W85-T88 HydrophobicContact CZ3-CG2 4.12Å; W85-T88 CarbonylContact O-C 3.46Å; W85-T88 WeakPolarHBondContact O-CA 3.46Å; W85-T88 WeakPolarHBondContact O-CB 3.45Å; W85-T88 PolarHBondContact O-N 3.21Å; I86-T88 VanDerWaalsContact C-N 3.34Å; T88-N91 CarbonylContact O-C 3.52Å; T88-N91 PolarHBondContact O-N 3.44Å; T88-R92 PolarHBondContact O-N 2.8Å; T88-R93 HydrophobicContact CG2-CB 3.88Å; T88-R93 PolarHBondContact O-N 2.95Å; T88-T95 WeakPolarHBondContact CG2-O 3.36Å; T88-D100 PolarHBondContact OG1-OD2 3.26Å; T88-D100 VanDerWaalsContact OG1-OD2 3.06Å |
| 89 | E | 92.6 | Very high | 92.9 | Very high | 108 Ų | 108 | 75.1 Ų | 75.1 | 51% | 0.505 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.1 | -44.1 | 177.2 | -69.1 | -169.8 | 155.2 | 0 | 0 | 112.6 | W85 N91 R92 | W85-E89 PolarHBondContact NE1-OE1 2.88Å; W85-E89 PolarHBondContact O-N 3.02Å; E89-N91 PolarHBondContact O-N 3.37Å; E89-R92 WeakPolarHBondContact O-CA 3.33Å; E89-R92 PolarHBondContact O-N 3.18Å |
| 90 | R | 89.7 | Confident | 92.9 | Very high | 174 Ų | 174 | 75 Ų | 75 | 66% | 0.657 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -54.8 | -37.7 | 173.5 | 178.7 | -177.9 | 169.6 | 94.1 | 0.9 | 111.8 | I86 R92 | I86-R90 WeakPolarHBondContact O-CB 3.41Å; I86-R90 PolarHBondContact O-N 3.05Å; R90-R92 VanDerWaalsContact C-N 3.26Å; R90-R92 PolarHBondContact O-N 3.22Å |
| 91 | N | 92.2 | Very high | 92.9 | Very high | 75 Ų | 75 | 76.2 Ų | 76.2 | 40% | 0.401 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 7.8 | 176.9 | -68.1 | -21.6 | 0 | 0 | 0 | 113.7 | H87 T88 E89 R93 | H87-N91 VanDerWaalsContact O-CB 3.26Å; H87-N91 WeakPolarHBondContact O-CB 3.21Å; H87-N91 PolarHBondContact O-N 2.88Å; H87-N91 VanDerWaalsContact O-N 3.07Å; H87-N91 PolarHBondContact O-ND2 3Å; H87-N91 VanDerWaalsContact O-ND2 3.16Å; T88-N91 CarbonylContact O-C 3.52Å; T88-N91 PolarHBondContact O-N 3.44Å; E89-N91 PolarHBondContact O-N 3.37Å; N91-R93 PolarHBondContact ND2-NH2 2.99Å; N91-R93 PolarHBondContact O-N 3.14Å |
| 92 | R | 92.6 | Very high | 92.8 | Very high | 237 Ų | 237 | 73.9 Ų | 73.9 | 89% | 0.894 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 33.2 | -179 | -56.6 | -176.9 | 179 | -172.9 | -1.8 | 113.9 | T88 E89 R90 | T88-R92 PolarHBondContact O-N 2.8Å; E89-R92 WeakPolarHBondContact O-CA 3.33Å; E89-R92 PolarHBondContact O-N 3.18Å; R90-R92 VanDerWaalsContact C-N 3.26Å; R90-R92 PolarHBondContact O-N 3.22Å |
| 93 | R | 94.2 | Very high | 92.7 | Very high | 60 Ų | 60 | 75.3 Ų | 75.3 | 23% | 0.226 | 33% | 0.328 | C | S | . | . | | | trans | -101.3 | 160.8 | 174.3 | -72.8 | -177.7 | -76.8 | 101.3 | -5.8 | 110.1 | T88 N91 T95 D100 | T88-R93 HydrophobicContact CG2-CB 3.88Å; T88-R93 PolarHBondContact O-N 2.95Å; N91-R93 PolarHBondContact ND2-NH2 2.99Å; N91-R93 PolarHBondContact O-N 3.14Å; R93-T95 PolarHBondContact NH1-O 3.32Å; R93-D100 IonicContact CZ-OD1 3.56Å; R93-D100 IonicContact CZ-OD2 3.46Å; R93-D100 IonicContact NH1-OD1 3.31Å; R93-D100 IonicContact NH1-OD2 2.7Å; R93-D100 PolarHBondContact NH1-OD2 3.22Å; R93-D100 IonicContact NH2-OD1 3.57Å; R93-D100 PolarHBondContact NH2-OD1 3.03Å; R93-D100 IonicContact NH2-OD2 3.33Å; R93-D100 PolarHBondContact NH2-OD2 3.41Å |
| 94 | R | 93.7 | Very high | 92.6 | Very high | 198 Ų | 198 | 73.9 Ų | 73.9 | 75% | 0.747 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -115.4 | 8 | 169.9 | -62.7 | -175.7 | 67.4 | -166.3 | -0.1 | 112.5 | | |
| 95 | T | 95.2 | Very high | 92.6 | Very high | 64 Ų | 64 | 74.2 Ų | 74.2 | 39% | 0.393 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -121.8 | 115.3 | -179.4 | -48.9 | 0 | 0 | 0 | 0 | 107.7 | T88 R93 Q97 | T88-T95 WeakPolarHBondContact CG2-O 3.36Å; R93-T95 PolarHBondContact NH1-O 3.32Å; T95-Q97 PolarHBondContact O-N 3.16Å |
| 96 | L | 95.5 | Very high | 92.3 | Very high | 48 Ų | 48 | 73 Ų | 73 | 25% | 0.251 | 33% | 0.328 | S | S | . | . | | | trans | -62.1 | 128.7 | 172.9 | -170.3 | 84.5 | 0 | 0 | 0 | 109 | T81 A84 W85 D100 I101 | T81-L96 HydrophobicContact CG2-CD2 4.31Å; A84-L96 HydrophobicContact CB-CD1 3.74Å; W85-L96 HydrophobicContact CE3-CD1 4.26Å; L96-D100 HydrophobicContact CD1-CB 4.44Å; L96-I101 HydrophobicContact CD2-CD1 4.41Å |
| 97 | Q | 94.1 | Very high | 91.7 | Very high | 84 Ų | 84 | 74.4 Ų | 74.4 | 39% | 0.393 | 34% | 0.336 | S | S | . | . | | | trans | -115 | 156.9 | 178.7 | -64.1 | -178.1 | -12.2 | 0 | 0 | 111.1 | T95 N99 D100 I101 | T95-Q97 PolarHBondContact O-N 3.16Å; Q97-N99 PolarHBondContact O-N 3.48Å; Q97-N99 VanDerWaalsContact O-N 3.12Å; Q97-D100 WeakPolarHBondContact CA-OD2 3.45Å; Q97-D100 WeakPolarHBondContact CB-OD2 3.39Å; Q97-D100 PolarHBondContact N-OD2 3.08Å; Q97-D100 WeakPolarHBondContact O-CB 3.44Å; Q97-D100 PolarHBondContact O-N 3.41Å; Q97-I101 PolarHBondContact O-N 3.18Å |
| 98 | R | 93.3 | Very high | 90.5 | Very high | 148 Ų | 148 | 77.5 Ų | 77.5 | 56% | 0.558 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -53.9 | -32.5 | 174.4 | -172.3 | -177.8 | -177 | -83.6 | 10.7 | 113 | D100 I101 A102 P121 | R98-D100 VanDerWaalsContact C-N 3.34Å; R98-I101 PolarHBondContact O-N 3.44Å; R98-A102 PolarHBondContact O-N 3.02Å; R98-P121 VanDerWaalsContact NH2-CD 3.34Å |
| 99 | N | 92.3 | Very high | 89.4 | Confident | 95 Ų | 95 | 81.9 Ų | 81.9 | 51% | 0.508 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.5 | -32.5 | 176.3 | -65.2 | -26.4 | 0 | 0 | 0 | 112.5 | Q97 I101 A102 M103 | Q97-N99 PolarHBondContact O-N 3.48Å; Q97-N99 VanDerWaalsContact O-N 3.12Å; N99-I101 VanDerWaalsContact C-N 3.34Å; N99-A102 PolarHBondContact O-N 3.42Å; N99-M103 WeakPolarHBondContact O-CG 3.41Å; N99-M103 PolarHBondContact O-N 2.92Å |
| 100 | D | 93.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.5 | -37.2 | 177.3 | -57.6 | -48.1 | 0 | 0 | 0 | 111.4 | A84 H87 T88 R93 L96 Q97 R98 M103 A104 | A84-D100 HydrophobicContact CB-CB 4.37Å; A84-D100 WeakPolarHBondContact O-CB 3.33Å; H87-D100 HydrophobicContact CB-CB 3.98Å; T88-D100 PolarHBondContact OG1-OD2 3.26Å; T88-D100 VanDerWaalsContact OG1-OD2 3.06Å; R93-D100 IonicContact CZ-OD1 3.56Å; R93-D100 IonicContact CZ-OD2 3.46Å; R93-D100 IonicContact NH1-OD1 3.31Å; R93-D100 IonicContact NH1-OD2 2.7Å; R93-D100 PolarHBondContact NH1-OD2 3.22Å; R93-D100 IonicContact NH2-OD1 3.57Å; R93-D100 PolarHBondContact NH2-OD1 3.03Å; R93-D100 IonicContact NH2-OD2 3.33Å; R93-D100 PolarHBondContact NH2-OD2 3.41Å; L96-D100 HydrophobicContact CD1-CB 4.44Å; Q97-D100 WeakPolarHBondContact CA-OD2 3.45Å; Q97-D100 WeakPolarHBondContact CB-OD2 3.39Å; Q97-D100 PolarHBondContact N-OD2 3.08Å; Q97-D100 WeakPolarHBondContact O-CB 3.44Å; Q97-D100 PolarHBondContact O-N 3.41Å; R98-D100 VanDerWaalsContact C-N 3.34Å; D100-M103 PolarHBondContact O-N 2.88Å; D100-A104 WeakPolarHBondContact O-CB 3.46Å; D100-A104 PolarHBondContact O-N 3.05Å |
| 101 | I | 93.2 | Very high | 87.8 | Confident | 49 Ų | 49 | 77.7 Ų | 77.7 | 25% | 0.251 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 172.1 | -55.1 | 174.2 | 0 | 0 | 0 | 110 | L80 A84 L96 Q97 R98 N99 M103 A104 V105 | L80-I101 HydrophobicContact CD1-CG2 4.35Å; L80-I101 HydrophobicContact CD2-CG2 4.31Å; L80-I101 HydrophobicContact CG-CG2 4.43Å; A84-I101 HydrophobicContact CB-CB 4.48Å; A84-I101 HydrophobicContact CB-CG1 3.93Å; L96-I101 HydrophobicContact CD2-CD1 4.41Å; Q97-I101 PolarHBondContact O-N 3.18Å; R98-I101 PolarHBondContact O-N 3.44Å; N99-I101 VanDerWaalsContact C-N 3.34Å; I101-M103 VanDerWaalsContact C-N 3.29Å; I101-M103 PolarHBondContact O-N 2.91Å; I101-A104 PolarHBondContact O-N 2.65Å; I101-V105 HydrophobicContact CG2-CG2 4.33Å; I101-V105 WeakPolarHBondContact O-CB 3.43Å; I101-V105 VanDerWaalsContact O-CG2 3.31Å; I101-V105 WeakPolarHBondContact O-CG2 3.48Å; I101-V105 PolarHBondContact O-N 3.26Å |
| 102 | A | 92.6 | Very high | 87.6 | Confident | 10 Ų | 10 | 78.5 Ų | 78.5 | 8% | 0.083 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.2 | -35.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R98 N99 S106 V120 | R98-A102 PolarHBondContact O-N 3.02Å; N99-A102 PolarHBondContact O-N 3.42Å; A102-S106 VanDerWaalsContact O-CB 3.31Å; A102-S106 WeakPolarHBondContact O-CB 3.45Å; A102-S106 PolarHBondContact O-N 3.21Å; A102-S106 PolarHBondContact O-OG 3.04Å; A102-V120 HydrophobicContact CB-CG1 3.74Å |
| 103 | M | 90.1 | Very high | 87.5 | Confident | 77 Ų | 77 | 67.3 Ų | 67.3 | 38% | 0.379 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.2 | -51.7 | 171.7 | -69.9 | -179.3 | 72 | 0 | 0 | 111.2 | H87 N99 D100 I101 V105 S106 D107 | H87-M103 WeakPolarHBondContact ND1-CE 3.37Å; N99-M103 WeakPolarHBondContact O-CG 3.41Å; N99-M103 PolarHBondContact O-N 2.92Å; D100-M103 PolarHBondContact O-N 2.88Å; I101-M103 VanDerWaalsContact C-N 3.29Å; I101-M103 PolarHBondContact O-N 2.91Å; M103-V105 VanDerWaalsContact C-N 3.26Å; M103-V105 PolarHBondContact O-N 3.01Å; M103-S106 CarbonylContact O-C 3.55Å; M103-S106 WeakPolarHBondContact O-CA 3.43Å; M103-S106 PolarHBondContact O-N 3.39Å; M103-D107 VanDerWaalsContact O-CG 3.31Å; M103-D107 PolarHBondContact O-N 2.69Å |
| 104 | A | 90.2 | Very high | 87.3 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 3% | 0.025 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.6 | -31.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R83 A84 D100 I101 | R83-A104 HydrophobicContact CB-CB 3.85Å; A84-A104 HydrophobicContact CB-CB 4.02Å; D100-A104 WeakPolarHBondContact O-CB 3.46Å; D100-A104 PolarHBondContact O-N 3.05Å; I101-A104 PolarHBondContact O-N 2.65Å |
| 105 | V | 90.8 | Very high | 87.2 | Confident | 6 Ų | 6 | 65.1 Ų | 65.1 | 4% | 0.036 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -78.6 | -20.3 | 174 | 169.4 | 0 | 0 | 0 | 0 | 112.5 | L80 I101 M103 F113 L116 R122 | L80-V105 HydrophobicContact CD1-CG2 3.84Å; I101-V105 HydrophobicContact CG2-CG2 4.33Å; I101-V105 WeakPolarHBondContact O-CB 3.43Å; I101-V105 VanDerWaalsContact O-CG2 3.31Å; I101-V105 WeakPolarHBondContact O-CG2 3.48Å; I101-V105 PolarHBondContact O-N 3.26Å; M103-V105 VanDerWaalsContact C-N 3.26Å; M103-V105 PolarHBondContact O-N 3.01Å; V105-F113 HydrophobicContact CB-CB 4.47Å; V105-F113 HydrophobicContact CG1-CB 4.15Å; V105-F113 HydrophobicContact CG2-CB 4.37Å; V105-L116 HydrophobicContact CG1-CB 3.89Å; V105-L116 HydrophobicContact CG1-CD1 4.34Å; V105-L116 HydrophobicContact CG2-CD1 3.71Å; V105-R122 PolarHBondContact O-NH2 3.05Å |
| 106 | S | 87.4 | Confident | 87.1 | Confident | 53 Ų | 53 | 62.7 Ų | 62.7 | 37% | 0.371 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -99.8 | -12.3 | 179.7 | -54.9 | 0 | 0 | 0 | 0 | 113.7 | A102 M103 G108 R122 | A102-S106 VanDerWaalsContact O-CB 3.31Å; A102-S106 WeakPolarHBondContact O-CB 3.45Å; A102-S106 PolarHBondContact O-N 3.21Å; A102-S106 PolarHBondContact O-OG 3.04Å; M103-S106 CarbonylContact O-C 3.55Å; M103-S106 WeakPolarHBondContact O-CA 3.43Å; M103-S106 PolarHBondContact O-N 3.39Å; S106-G108 PolarHBondContact O-N 3.43Å; S106-R122 VanDerWaalsContact OG-CD 3.26Å; S106-R122 WeakPolarHBondContact OG-CD 3.38Å; S106-R122 WeakPolarHBondContact OG-CG 3.3Å |
| 107 | D | 80.1 | Confident | 86.7 | Confident | 58 Ų | 58 | 63.8 Ų | 63.8 | 31% | 0.31 | 34% | 0.342 | S | S | . | . | | | trans | -62.8 | 124.3 | 177.7 | -72.5 | -29.6 | 0 | 0 | 0 | 110.2 | H87 M103 D109 | H87-D107 IonicContact CD2-OD2 3.07Å; H87-D107 IonicContact CE1-OD1 2.69Å; H87-D107 IonicContact CE1-OD2 3.58Å; H87-D107 PolarHBondContact CE1-OD2 3.29Å; H87-D107 VanDerWaalsContact CE1-OD2 3.26Å; H87-D107 IonicContact NE2-OD1 3.04Å; H87-D107 IonicContact NE2-OD2 3.69Å; H87-D107 PolarHBondContact NE2-OD2 2.95Å; M103-D107 VanDerWaalsContact O-CG 3.31Å; M103-D107 PolarHBondContact O-N 2.69Å; D107-D109 PolarHBondContact O-N 3.35Å |
| 108 | G | 65.3 | Low | 86.5 | Confident | 80 Ų | 80 | 67.3 Ų | 67.3 | 83% | 0.825 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | 11.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | S106 | S106-G108 PolarHBondContact O-N 3.43Š|
| 109 | D | 68.2 | Low | 86.4 | Confident | 91 Ų | 91 | 65.8 Ų | 65.8 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -26.7 | -176.7 | -67.9 | -20.1 | 0 | 0 | 0 | 112.4 | D107 | D107-D109 PolarHBondContact O-N 3.35Š|
| 110 | T | 66 | Low | 86.1 | Confident | 46 Ų | 46 | 62.1 Ų | 62.1 | 28% | 0.282 | 35% | 0.347 | S | S | . | . | | | trans | -151.6 | 125.1 | 177.9 | 51.5 | 0 | 0 | 0 | 0 | 112.1 | R83 Q112 | R83-T110 PolarHBondContact NH1-OG1 2.98Å; T110-Q112 PolarHBondContact O-N 3.38Å |
| 111 | D | 83.5 | Confident | 85.6 | Confident | 149 Ų | 149 | 65.8 Ų | 65.8 | 80% | 0.797 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -68.7 | -4.5 | 168.5 | 59.9 | -17.7 | 0 | 0 | 0 | 113.7 | F113 D114 | D111-F113 PolarHBondContact O-N 2.66Å; D111-D114 WeakPolarHBondContact O-CB 3.38Å; D111-D114 PolarHBondContact O-N 2.95Å |
| 112 | Q | 88.8 | Confident | 84.6 | Confident | 92 Ų | 92 | 67.3 Ų | 67.3 | 43% | 0.43 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -46.7 | -31.8 | 174.4 | -175.5 | -175.3 | -21.8 | 0 | 0 | 114.7 | E79 T110 F115 | E79-Q112 PolarHBondContact OE2-NE2 2.97Å; T110-Q112 PolarHBondContact O-N 3.38Å; Q112-F115 VanDerWaalsContact O-CD1 3.29Å; Q112-F115 WeakPolarHBondContact O-CD1 3.36Å; Q112-F115 WeakPolarHBondContact O-CE1 3.47Å |
| 113 | F | 90 | Very high | 83.2 | Confident | 2 Ų | 2 | 75.8 Ų | 75.8 | 1% | 0.009 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -97.4 | 7 | -178.6 | -60.6 | -70.2 | 0 | 0 | 0 | 114.7 | F76 E79 L80 V105 D111 F115 L116 | F76-F113 HydrophobicContact CD2-CE1 4.25Å; F76-F113 AromaticContact CE2-CD1 3.98Å; F76-F113 HydrophobicContact CE2-CD1 3.98Å; F76-F113 AromaticContact CE2-CE1 3.73Å; F76-F113 HydrophobicContact CE2-CE1 3.73Å; E79-F113 HydrophobicContact CG-CZ 4.19Å; L80-F113 HydrophobicContact CD1-CD1 4.42Å; L80-F113 HydrophobicContact CD1-CE1 4.28Å; V105-F113 HydrophobicContact CB-CB 4.47Å; V105-F113 HydrophobicContact CG1-CB 4.15Å; V105-F113 HydrophobicContact CG2-CB 4.37Å; D111-F113 PolarHBondContact O-N 2.66Å; F113-F115 HydrophobicContact CD1-CE1 4.44Å; F113-F115 PolarHBondContact O-N 3.39Å; F113-L116 HydrophobicContact CB-CD1 4.25Å; F113-L116 HydrophobicContact CD1-CD1 4.07Å; F113-L116 VanDerWaalsContact O-CB 3.31Å; F113-L116 WeakPolarHBondContact O-CB 3.18Å; F113-L116 PolarHBondContact O-N 2.91Å |
| 114 | D | 89.7 | Confident | 81.5 | Confident | 80 Ų | 80 | 80.3 Ų | 80.3 | 43% | 0.428 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -67.8 | -21.1 | -174 | -143.2 | 45.9 | 0 | 0 | 0 | 113.1 | D111 L116 I117 R122 | D111-D114 WeakPolarHBondContact O-CB 3.38Å; D111-D114 PolarHBondContact O-N 2.95Å; D114-L116 PolarHBondContact O-N 3.04Å; D114-I117 HydrophobicContact CB-CD1 4.44Å; D114-I117 WeakPolarHBondContact O-CD1 3.26Å; D114-I117 VanDerWaalsContact O-CG1 3.26Å; D114-I117 WeakPolarHBondContact O-CG1 3.44Å; D114-I117 PolarHBondContact O-N 2.91Å; D114-I117 VanDerWaalsContact O-N 3.12Å; D114-I117 VanDerWaalsContact OD1-CD1 3.23Å; D114-I117 WeakPolarHBondContact OD1-CD1 3.18Å; D114-I117 VanDerWaalsContact OD2-CD1 3.28Å; D114-I117 WeakPolarHBondContact OD2-CD1 3.34Å; D114-R122 IonicContact OD1-CZ 2.68Å; D114-R122 IonicContact OD1-NH1 2.84Å; D114-R122 PolarHBondContact OD1-NH1 3.04Å; D114-R122 IonicContact OD1-NH2 3.62Å; D114-R122 PolarHBondContact OD1-NH2 2.95Å |
| 115 | F | 92.2 | Very high | 79.8 | Confident | 131 Ų | 131 | 84.8 Ų | 84.8 | 58% | 0.575 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -60.3 | -10.4 | 169.1 | 79.8 | -85.6 | 0 | 0 | 0 | 114.4 | F76 Q112 F113 | F76-F115 HydrophobicContact CE2-CE1 4.17Å; F76-F115 AromaticContact CE2-CZ 3.62Å; F76-F115 HydrophobicContact CE2-CZ 3.62Å; F76-F115 AromaticContact CZ-CZ 3.77Å; F76-F115 HydrophobicContact CZ-CZ 3.77Å; Q112-F115 VanDerWaalsContact O-CD1 3.29Å; Q112-F115 WeakPolarHBondContact O-CD1 3.36Å; Q112-F115 WeakPolarHBondContact O-CE1 3.47Å; F113-F115 HydrophobicContact CD1-CE1 4.44Å; F113-F115 PolarHBondContact O-N 3.39Å |
| 116 | L | 92.5 | Very high | 77.3 | Confident | 13 Ų | 13 | 96.4 Ų | 96.4 | 7% | 0.068 | 51% | 0.511 | C | S | . | . | G | 310 helix | trans | -95.9 | -1.3 | 177.7 | -60.6 | 175.4 | 0 | 0 | 0 | 114.2 | F76 V105 F113 D114 D118 I119 V120 | F76-L116 HydrophobicContact CZ-CD1 4.13Å; V105-L116 HydrophobicContact CG1-CB 3.89Å; V105-L116 HydrophobicContact CG1-CD1 4.34Å; V105-L116 HydrophobicContact CG2-CD1 3.71Å; F113-L116 HydrophobicContact CB-CD1 4.25Å; F113-L116 HydrophobicContact CD1-CD1 4.07Å; F113-L116 VanDerWaalsContact O-CB 3.31Å; F113-L116 WeakPolarHBondContact O-CB 3.18Å; F113-L116 PolarHBondContact O-N 2.91Å; D114-L116 PolarHBondContact O-N 3.04Å; L116-D118 VanDerWaalsContact C-N 3.28Å; L116-D118 PolarHBondContact O-N 3.04Å; L116-I119 HydrophobicContact CD2-CD1 4.15Å; L116-I119 PolarHBondContact O-N 3.42Å; L116-V120 HydrophobicContact CB-CG2 4.28Å; L116-V120 PolarHBondContact O-N 3.42Å |
| 117 | I | 87.9 | Confident | 75.3 | Confident | 72 Ų | 72 | 96.6 Ų | 96.6 | 37% | 0.369 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | -50.4 | -179.1 | -71.4 | 161.5 | 0 | 0 | 0 | 111.6 | D114 I119 R122 | D114-I117 HydrophobicContact CB-CD1 4.44Å; D114-I117 WeakPolarHBondContact O-CD1 3.26Å; D114-I117 VanDerWaalsContact O-CG1 3.26Å; D114-I117 WeakPolarHBondContact O-CG1 3.44Å; D114-I117 PolarHBondContact O-N 2.91Å; D114-I117 VanDerWaalsContact O-N 3.12Å; D114-I117 VanDerWaalsContact OD1-CD1 3.23Å; D114-I117 WeakPolarHBondContact OD1-CD1 3.18Å; D114-I117 VanDerWaalsContact OD2-CD1 3.28Å; D114-I117 WeakPolarHBondContact OD2-CD1 3.34Å; I117-I119 PolarHBondContact O-N 3.27Å; I117-R122 VanDerWaalsContact CG1-NH2 3.31Å |
| 118 | D | 89.4 | Confident | 73.6 | Confident | 158 Ų | 158 | 102.5 Ų | 102.5 | 85% | 0.845 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -13.6 | -174.9 | -61.5 | -38.2 | 0 | 0 | 0 | 113.4 | L116 | L116-D118 VanDerWaalsContact C-N 3.28Å; L116-D118 PolarHBondContact O-N 3.04Å |
| 119 | I | 91 | Very high | 72.5 | Confident | 116 Ų | 116 | 110.2 Ų | 110.2 | 60% | 0.595 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -35.1 | -176.2 | -59.2 | 174.7 | 0 | 0 | 0 | 111 | L116 I117 P121 | L116-I119 HydrophobicContact CD2-CD1 4.15Å; L116-I119 PolarHBondContact O-N 3.42Å; I117-I119 PolarHBondContact O-N 3.27Å; I119-P121 VanDerWaalsContact C-CD 3.46Å; I119-P121 WeakPolarHBondContact O-CD 3.36Å |
| 120 | V | 87.1 | Confident | 71.3 | Confident | 18 Ų | 18 | 117 Ų | 117 | 11% | 0.109 | 57% | 0.57 | C | S | . | * | S | Bend | trans | -116 | 85.6 | -178.7 | -172.9 | 0 | 0 | 0 | 0 | 109.1 | A102 L116 R122 | A102-V120 HydrophobicContact CB-CG1 3.74Å; L116-V120 HydrophobicContact CB-CG2 4.28Å; L116-V120 PolarHBondContact O-N 3.42Å; V120-R122 PolarHBondContact O-N 3.12Å |
| 121 | P | 81.5 | Confident | 70.4 | Confident | 77 Ų | 77 | 120 Ų | 120 | 50% | 0.5 | 59% | 0.59 | S | S | . | * | | | trans | -46 | 110 | 172.5 | -30.6 | 31.8 | 0 | 0 | 0 | 111.8 | R98 I119 | R98-P121 VanDerWaalsContact NH2-CD 3.34Å; I119-P121 VanDerWaalsContact C-CD 3.46Å; I119-P121 WeakPolarHBondContact O-CD 3.36Å |
| 122 | R | 73.5 | Confident | 68.4 | Low | 81 Ų | 81 | 118.7 Ų | 118.7 | 31% | 0.306 | 59% | 0.588 | S | S | . | * | | | trans | -77.4 | 135.8 | 174 | -56.5 | -177.1 | -179 | 174.7 | 6.4 | 107.9 | V105 S106 D114 I117 V120 E124 | V105-R122 PolarHBondContact O-NH2 3.05Å; S106-R122 VanDerWaalsContact OG-CD 3.26Å; S106-R122 WeakPolarHBondContact OG-CD 3.38Å; S106-R122 WeakPolarHBondContact OG-CG 3.3Å; D114-R122 IonicContact OD1-CZ 2.68Å; D114-R122 IonicContact OD1-NH1 2.84Å; D114-R122 PolarHBondContact OD1-NH1 3.04Å; D114-R122 IonicContact OD1-NH2 3.62Å; D114-R122 PolarHBondContact OD1-NH2 2.95Å; I117-R122 VanDerWaalsContact CG1-NH2 3.31Å; V120-R122 PolarHBondContact O-N 3.12Å; R122-E124 VanDerWaalsContact C-N 3.34Å; R122-E124 PolarHBondContact O-N 3.39Å |
| 123 | E | 63.2 | Low | 66.6 | Low | 188 Ų | 188 | 122.5 Ų | 122.5 | 88% | 0.879 | 61% | 0.606 | S | S | * | * | | | trans | -74.7 | 95.5 | 165.8 | -176.4 | 143 | -153.3 | 0 | 0 | 107.4 | A125 | E123-A125 PolarHBondContact O-N 3.33Š|
| 124 | E | 53.7 | Low | 64.3 | Low | 172 Ų | 172 | 128 Ų | 128 | 80% | 0.804 | 64% | 0.639 | S | S | * | * | | | trans | -54 | 110.1 | -177.5 | -72.8 | -173.8 | -165.5 | 0 | 0 | 110.7 | R122 R126 | R122-E124 VanDerWaalsContact C-N 3.34Å; R122-E124 PolarHBondContact O-N 3.39Å; E124-R126 VanDerWaalsContact C-N 3.32Å; E124-R126 PolarHBondContact O-N 3.41Å |
| 125 | A | 53.8 | Low | 62.3 | Low | 98 Ų | 98 | 129.6 Ų | 129.6 | 81% | 0.81 | 65% | 0.652 | S | S | * | * | | | trans | -62.2 | 94.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | E123 G127 | E123-A125 PolarHBondContact O-N 3.33Å; A125-G127 PolarHBondContact O-N 3.5Å |
| 126 | R | 39.4 | Very low | 60.1 | Low | 250 Ų | 250 | 128.8 Ų | 128.8 | 94% | 0.943 | 66% | 0.663 | S | S | * | * | | | trans | -35.1 | 87.5 | -167.6 | -70.8 | -175.1 | 174 | -174.1 | -1.3 | 114.5 | E124 | E124-R126 VanDerWaalsContact C-N 3.32Å; E124-R126 PolarHBondContact O-N 3.41Å |
| 127 | G | 44.4 | Very low | 58 | Low | 56 Ų | 56 | 132.7 Ų | 132.7 | 58% | 0.577 | 70% | 0.697 | S | S | * | * | | | trans | -85.4 | 120.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A125 | A125-G127 PolarHBondContact O-N 3.5Š|
| 128 | H | 44.6 | Very low | 56.1 | Low | 183 Ų | 183 | 134.6 Ų | 134.6 | 85% | 0.847 | 72% | 0.717 | S | S | * | * | | | trans | 53.1 | 95.4 | 156.4 | -56.8 | 87.8 | 0 | 0 | 0 | 117.4 | | |
| 129 | R | 42.8 | Very low | 53.9 | Low | 241 Ų | 241 | 135.3 Ų | 135.3 | 91% | 0.909 | 72% | 0.72 | S | S | * | * | | | | -161.8 | 123.6 | 92.4 | -69.3 | -145.6 | -173 | -171.3 | 2.6 | 111.1 | P131 | R129-P131 WeakPolarHBondContact O-CD 3.49Š|
| 130 | R | 42 | Very low | 51.9 | Low | 233 Ų | 233 | 133.4 Ų | 133.4 | 88% | 0.879 | 72% | 0.722 | S | S | * | * | | | trans | -74.5 | 119.6 | 160.8 | -166.6 | -174 | -142.3 | 174.8 | 7.1 | 107.4 | T132 | R130-T132 PolarHBondContact O-N 2.95Š|
| 131 | P | 47.2 | Very low | 49.8 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | | | trans | -72.3 | 104.3 | 174.1 | 28 | -31.9 | 0 | 0 | 0 | 109 | R129 Q133 | R129-P131 WeakPolarHBondContact O-CD 3.49Å; P131-Q133 VanDerWaalsContact C-N 3.33Å; P131-Q133 PolarHBondContact O-N 2.98Å |
| 132 | T | 41.8 | Very low | 48 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | -73.6 | 84.4 | 175.5 | -32.7 | 0 | 0 | 0 | 0 | 109.6 | R130 T134 | R130-T132 PolarHBondContact O-N 2.95Å; T132-T134 HydrophobicContact CG2-CG2 4.41Å; T132-T134 PolarHBondContact O-N 3.46Å |
| 133 | Q | 50.5 | Low | 46.6 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -81 | 102 | 170.4 | -76.4 | -167.6 | 23.5 | 0 | 0 | 110.5 | P131 | P131-Q133 VanDerWaalsContact C-N 3.33Å; P131-Q133 PolarHBondContact O-N 2.98Å |
| 134 | T | 42.3 | Very low | 45.8 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | | | trans | -94.3 | 91.5 | 169.5 | 49.5 | 0 | 0 | 0 | 0 | 111 | T132 | T132-T134 HydrophobicContact CG2-CG2 4.41Å; T132-T134 PolarHBondContact O-N 3.46Å |
| 135 | T | 47.8 | Very low | 45.4 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 69% | 0.693 | 79% | 0.788 | S | S | * | * | | | trans | -144.8 | 100.3 | 163.8 | 43.4 | 0 | 0 | 0 | 0 | 106.5 | | |
| 136 | S | 46.4 | Very low | 44.7 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | | 56.1 | 129.4 | 73.5 | -61.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 137 | A | 48.2 | Very low | 44.9 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | 79.7 | 84.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 138 | S | 47.4 | Very low | 45 | Very low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | | | | 12.4 | 123.7 | 126.2 | 56.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 139 | N | 43.8 | Very low | 44.9 | Very low | 172 Ų | 172 | 138.3 Ų | 138.3 | 92% | 0.92 | 79% | 0.785 | S | S | * | * | | | | -157.4 | 160.1 | 119.1 | -132.5 | -6.3 | 0 | 0 | 0 | 113 | | |
| 140 | A | 48.6 | Very low | 44.6 | Very low | 77 Ų | 77 | 135.1 Ų | 135.1 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | | | trans | -111.6 | 175.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 141 | N | 41.9 | Very low | 44.3 | Very low | 170 Ų | 170 | 130.7 Ų | 130.7 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | | | trans | 73.5 | 144.4 | 177.3 | -55.5 | -15 | 0 | 0 | 0 | 115.8 | | |
| 142 | G | 44.2 | Very low | 44.2 | Very low | 70 Ų | 70 | 131.5 Ų | 131.5 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | cis | 164 | 146.4 | -7.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 143 | N | 43.7 | Very low | 44 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | | | trans | 65.3 | 119.9 | 167.8 | -87.6 | 11.5 | 0 | 0 | 0 | 121.8 | | |
| 144 | S | 46.7 | Very low | 43.6 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | | | | 54.1 | 129.3 | 117.8 | -43.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 145 | T | 46.6 | Very low | 43.4 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | | | cis | -162.8 | 165.1 | 45.7 | 38.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 146 | N | 37.6 | Very low | 42.9 | Very low | 151 Ų | 151 | 137 Ų | 137 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | | | trans | -51.2 | 143.7 | 166.7 | -102.8 | -77.4 | 0 | 0 | 0 | 114.9 | | |
| 147 | I | 45.1 | Very low | 42.6 | Very low | 171 Ų | 171 | 139 Ų | 139 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | | | | -154.4 | 154.5 | 125 | -74.6 | -148.1 | 0 | 0 | 0 | 108.7 | | |
| 148 | K | 46.3 | Very low | 41.9 | Very low | 189 Ų | 189 | 141.8 Ų | 141.8 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | -105.7 | 165.7 | -166.6 | -170.6 | -177.5 | -178 | -174.7 | 0 | 112.7 | | |
| 149 | S | 42.8 | Very low | 41.5 | Very low | 86 Ų | 86 | 143 Ų | 143 | 60% | 0.601 | 78% | 0.776 | S | S | * | * | | | trans | 93.4 | 115.6 | 163 | -96.8 | 0 | 0 | 0 | 0 | 121 | | |
| 150 | E | 36.5 | Very low | 41 | Very low | 173 Ų | 173 | 140 Ų | 140 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | | | | 78.2 | 115.2 | 128.7 | -70.6 | 165.4 | 117.5 | 0 | 0 | 123.3 | | |
| 151 | N | 35.6 | Very low | 40.2 | Very low | 141 Ų | 141 | 144 Ų | 144 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | | | trans | 70.6 | 108 | 139 | -151.1 | 21.3 | 0 | 0 | 0 | 119.5 | | |
| 152 | P | 43.9 | Very low | 40 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -91.9 | 120.3 | 177.8 | 34.5 | -30 | 0 | 0 | 0 | 112.9 | | |
| 153 | S | 37.7 | Very low | 39.9 | Very low | 79 Ų | 79 | 144.2 Ų | 144.2 | 55% | 0.552 | 76% | 0.764 | S | S | * | * | | | trans | -124.4 | 129.5 | 162.6 | -63 | 0 | 0 | 0 | 0 | 110.3 | | |
| 154 | H | 42.3 | Very low | 39.6 | Very low | 180 Ų | 180 | 144.2 Ų | 144.2 | 83% | 0.833 | 76% | 0.764 | S | S | * | * | | | trans | 67 | 127.3 | 168.6 | -33.3 | -68 | 0 | 0 | 0 | 117.3 | | |
| 155 | R | 38.8 | Very low | 39.2 | Very low | 238 Ų | 238 | 145.1 Ų | 145.1 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | | | | 172.6 | 150.7 | 84.9 | -159.2 | 168.1 | -157.2 | 130.5 | 3.9 | 112.4 | | |
| 156 | N | 37.6 | Very low | 38.8 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | | | trans | -77.5 | 159.3 | -174.5 | -46.5 | -20.2 | 0 | 0 | 0 | 114.2 | | |
| 157 | N | 40 | Very low | 38.5 | Very low | 156 Ų | 156 | 145.6 Ų | 145.6 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | | | trans | 154.7 | 154.8 | 138 | -84.7 | 1.2 | 0 | 0 | 0 | 110.1 | | |
| 158 | F | 33.2 | Very low | 38.1 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | | | cis | -172.9 | -176 | -14.7 | 171.7 | -118.9 | 0 | 0 | 0 | 106.8 | T160 | F158-T160 HydrophobicContact CE2-CG2 4.13Å; F158-T160 HydrophobicContact CZ-CG2 4.01Å |
| 159 | L | 39.2 | Very low | 37.3 | Very low | 137 Ų | 137 | 142 Ų | 142 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | | | trans | 76.8 | 93 | 176.2 | -58.6 | 107.3 | 0 | 0 | 0 | 116.1 | | |
| 160 | T | 32.8 | Very low | 36.8 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | | | | 78.2 | 107 | 69.7 | 64.4 | 0 | 0 | 0 | 0 | 115.8 | F158 | F158-T160 HydrophobicContact CE2-CG2 4.13Å; F158-T160 HydrophobicContact CZ-CG2 4.01Å |
| 161 | N | 32.1 | Very low | 36.7 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | | | | -150.4 | 158.4 | 127.7 | -156.1 | 22.8 | 0 | 0 | 0 | 110.6 | | |
| 162 | T | 37.9 | Very low | 36.7 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 68% | 0.681 | 78% | 0.777 | S | S | * | * | | | trans | -97.1 | 135 | -162.9 | 53.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 163 | N | 41 | Very low | 36.3 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | | | | 176.8 | 152.8 | 115.7 | -88.7 | 1.3 | 0 | 0 | 0 | 111.7 | | |
| 164 | D | 37.3 | Very low | 36.2 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | 67.9 | 148.8 | 165.3 | -50.7 | -39.2 | 0 | 0 | 0 | 118.7 | | |
| 165 | T | 39.8 | Very low | 35.7 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | trans | -109.4 | 161.3 | -147.9 | 43.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 166 | H | 36.9 | Very low | 35.3 | Very low | 183 Ų | 183 | 137.9 Ų | 137.9 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | | | trans | 83.1 | 77.5 | 169.7 | -45.8 | -71.3 | 0 | 0 | 0 | 117.3 | | |
| 167 | S | 32.7 | Very low | 35 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -114 | 122.5 | 153.8 | 63.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 168 | L | 35 | Very low | 34.5 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | | | trans | -110.7 | 126.5 | 169.2 | -78.1 | 171.1 | 0 | 0 | 0 | 109.7 | | |
| 169 | S | 30.2 | Very low | 34.5 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | trans | -100 | 126.3 | 173.1 | 62.8 | 0 | 0 | 0 | 0 | 111 | | |
| 170 | L | 32.9 | Very low | 34.1 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | trans | -129.4 | 140.3 | 157.2 | -70.8 | 88.6 | 0 | 0 | 0 | 106.2 | | |
| 171 | G | 33.5 | Very low | 33.9 | Very low | 70 Ų | 70 | 133.7 Ų | 133.7 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | | | cis | 113 | 86.1 | 24.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | N173 | G171-N173 PolarHBondContact O-N 3.28Å; G171-N173 VanDerWaalsContact O-N 3.17Å |
| 172 | Q | 36.6 | Very low | 34 | Very low | 187 Ų | 187 | 134.9 Ų | 134.9 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -63.4 | 113 | -173.7 | -70.3 | 172.8 | -19.5 | 0 | 0 | 111.5 | | |
| 173 | N | 35 | Very low | 33.7 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | S | Bend | | 169.4 | 147.5 | 128 | -87.1 | -31.9 | 0 | 0 | 0 | 111.7 | G171 | G171-N173 PolarHBondContact O-N 3.28Å; G171-N173 VanDerWaalsContact O-N 3.17Å |
| 174 | S | 35.9 | Very low | 33.5 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | | | trans | 51.9 | 98.2 | 167.9 | 51.3 | 0 | 0 | 0 | 0 | 116.9 | H176 | S174-H176 PolarHBondContact O-N 3.07Š|
| 175 | G | 31 | Very low | 33.2 | Very low | 87 Ų | 87 | 135.7 Ų | 135.7 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | | | trans | -76.4 | 117.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 176 | H | 30.9 | Very low | 32.9 | Very low | 170 Ų | 170 | 136.4 Ų | 136.4 | 79% | 0.787 | 82% | 0.816 | S | S | * | * | | | trans | -152.3 | 106.1 | 151.9 | -165.7 | -75.5 | 0 | 0 | 0 | 108 | S174 | S174-H176 PolarHBondContact O-N 3.07Š|
| 177 | M | 31.5 | Very low | 32.8 | Very low | 177 Ų | 177 | 134.3 Ų | 134.3 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | | | trans | -113.5 | 133.5 | 179.2 | -73.2 | -142 | -65 | 0 | 0 | 112.1 | | |
| 178 | V | 30.3 | Very low | 32.8 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 70% | 0.697 | 82% | 0.818 | S | S | * | * | | | trans | -110.2 | 135.6 | 173.8 | 173.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 179 | V | 32.4 | Very low | 32.6 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | | | trans | -119.1 | 107.6 | 174.8 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 180 | S | 29.6 | Very low | 32.7 | Very low | 117 Ų | 117 | 131 Ų | 131 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | -115.3 | 144.5 | 151.5 | -53.9 | 0 | 0 | 0 | 0 | 105.3 | | |
| 181 | G | 30.4 | Very low | 32.6 | Very low | 67 Ų | 67 | 130.3 Ų | 130.3 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | | | cis | 155.2 | 133.4 | 6.1 | 0 | 0 | 0 | 0 | 0 | 105.6 | | |
| 182 | L | 32.7 | Very low | 32.5 | Very low | 184 Ų | 184 | 135.8 Ų | 135.8 | 96% | 0.963 | 83% | 0.83 | S | S | * | * | | | trans | -121.8 | 125.2 | -177.2 | -75.4 | 171.9 | 0 | 0 | 0 | 111 | | |
| 183 | S | 32.5 | Very low | 31.9 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | | | trans | -76.8 | 161 | -178.6 | -47.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 184 | N | 35.5 | Very low | 31.6 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | | | | -154.9 | 145.4 | 127.9 | -102 | -11.3 | 0 | 0 | 0 | 110.7 | | |
| 185 | D | 32 | Very low | 31.1 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | | | trans | -73.2 | 156.9 | -170 | -70.1 | -68.7 | 0 | 0 | 0 | 114.9 | | |
| 186 | V | 34.4 | Very low | 30.8 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 79% | 0.788 | 81% | 0.813 | S | S | * | * | | | | -177 | 112.1 | 113.8 | 149.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 187 | T | 33.2 | Very low | 30.5 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | | | trans | 25.2 | 120.6 | 157.5 | 57.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 188 | G | 33.7 | Very low | 30.1 | Very low | 83 Ų | 83 | 130.7 Ų | 130.7 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | | | trans | 178.9 | 110.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 189 | S | 29.9 | Very low | 29.9 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -99.6 | 125.7 | -165.6 | 57.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 190 | S | 33.4 | Very low | 29.5 | Very low | 125 Ų | 125 | 131 Ų | 131 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | | | trans | -167.3 | 146 | 137.8 | 55.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 191 | T | 31.1 | Very low | 29.3 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | | | trans | -79.4 | 137.6 | -170 | 49.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 192 | Q | 29.9 | Very low | 29.2 | Very low | 185 Ų | 185 | 132.3 Ų | 132.3 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | | | | 172.3 | 138.8 | 115 | -168.4 | 166.9 | 12.2 | 0 | 0 | 110.5 | | |
| 193 | P | 25.3 | Very low | 28.9 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 68% | 0.675 | 81% | 0.807 | S | S | * | * | | | trans | -101.3 | 153 | -171.8 | 37.5 | -33.7 | 0 | 0 | 0 | 114.4 | | |
| 194 | Q | 27.7 | Very low | 28.5 | Very low | 180 Ų | 180 | 127.7 Ų | 127.7 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | | | | -173.3 | 129.2 | 125.9 | -105.1 | 164.2 | 86.7 | 0 | 0 | 116.1 | | |
| 195 | T | 25.6 | Very low | 28.2 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | | | trans | 36.8 | 116.4 | 137.9 | -41 | 0 | 0 | 0 | 0 | 121 | | |
| 196 | V | 24.4 | Very low | 27.9 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | | | trans | -115.7 | 123.8 | 158 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | V198 | V196-V198 HydrophobicContact CG1-CG2 4.29Š|
| 197 | T | 26.1 | Very low | 27.6 | Very low | 122 Ų | 122 | 123.1 Ų | 123.1 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | | | trans | -109.7 | 128.4 | 175.6 | -59 | 0 | 0 | 0 | 0 | 109.3 | | |
| 198 | V | 22.9 | Very low | 27.3 | Very low | 126 Ų | 126 | 120.8 Ų | 120.8 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | | | trans | -120.3 | 129.6 | 173.5 | -170.1 | 0 | 0 | 0 | 0 | 107.8 | V196 | V196-V198 HydrophobicContact CG1-CG2 4.29Š|
| 199 | A | 25.5 | Very low | 26.9 | Very low | 91 Ų | 91 | 123.3 Ų | 123.3 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | | | trans | -136.2 | 126.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 200 | L | 23.1 | Very low | 26.7 | Very low | 167 Ų | 167 | 122.2 Ų | 122.2 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | -85.4 | 142.7 | 162.9 | -79.8 | 74.9 | 0 | 0 | 0 | 108.9 | | |
| 201 | A | 26.8 | Very low | 26.5 | Very low | 93 Ų | 93 | 122.7 Ų | 122.7 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | | 171.1 | 116.4 | 126.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 202 | S | 26.9 | Very low | 26.3 | Very low | 118 Ų | 118 | 123 Ų | 123 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | 28.1 | 133.6 | 133.9 | -50.3 | 0 | 0 | 0 | 0 | 123.6 | | |
| 203 | A | 27 | Very low | 26.3 | Very low | 97 Ų | 97 | 119.1 Ų | 119.1 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | | | trans | 78.6 | 114.1 | 135.9 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 204 | A | 25.2 | Very low | 26.7 | Very low | 96 Ų | 96 | 118 Ų | 118 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | | | trans | 33.5 | 121.7 | 139.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 205 | L | 27.6 | Very low | 26.9 | Very low | 168 Ų | 168 | 116.9 Ų | 116.9 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | | | | -177.4 | 154.1 | 88.4 | -168 | 62.2 | 0 | 0 | 0 | 110.3 | | |
| 206 | A | 26.4 | Very low | 27.2 | Very low | 99 Ų | 99 | 116.5 Ų | 116.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -70.5 | 131.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 207 | G | 27.6 | Very low | 27.4 | Very low | 79 Ų | 79 | 115.3 Ų | 115.3 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | | | trans | 171 | 134.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 208 | A | 26.3 | Very low | 27.7 | Very low | 89 Ų | 89 | 118.1 Ų | 118.1 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | | | trans | -91.4 | 156.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 209 | T | 25.6 | Very low | 27.9 | Very low | 137 Ų | 137 | 116.9 Ų | 116.9 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | | | trans | 69.6 | 108.6 | 144.5 | 45.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 210 | S | 27 | Very low | 28 | Very low | 102 Ų | 102 | 119.9 Ų | 119.9 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | | | | 110.1 | 157.4 | 109.7 | -156.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 211 | V | 27.6 | Very low | 28.1 | Very low | 134 Ų | 134 | 117.5 Ų | 117.5 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | | | trans | 71.4 | 139.5 | 170.4 | -41 | 0 | 0 | 0 | 0 | 117.5 | | |
| 212 | N | 27.5 | Very low | 28 | Very low | 146 Ų | 146 | 120.8 Ų | 120.8 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | | | cis | -152.9 | 162.6 | 5.8 | -160.2 | 6.7 | 0 | 0 | 0 | 113.4 | | |
| 213 | S | 31.1 | Very low | 28 | Very low | 105 Ų | 105 | 123 Ų | 123 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | 78.7 | 140 | 170.3 | -62.2 | 0 | 0 | 0 | 0 | 117 | | |
| 214 | A | 32.3 | Very low | 27.9 | Very low | 80 Ų | 80 | 125.4 Ų | 125.4 | 66% | 0.661 | 77% | 0.767 | S | S | * | * | | | cis | -157.3 | 130 | -14.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 215 | I | 31.4 | Very low | 27.8 | Very low | 157 Ų | 157 | 128.8 Ų | 128.8 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | | | | 71.9 | 128 | 101.6 | -62.9 | 174.7 | 0 | 0 | 0 | 115.5 | | |
| 216 | P | 32.7 | Very low | 27.8 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | | | cis | -141.8 | 166.5 | -22.7 | 37.1 | -17.6 | 0 | 0 | 0 | 116 | | |
| 217 | C | 28.9 | Very low | 27.8 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | | | | 155.4 | 94.4 | 120.8 | -88.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 218 | Q | 32.4 | Very low | 27.7 | Very low | 181 Ų | 181 | 129 Ų | 129 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | | | trans | 32.5 | 152 | 135.1 | -53.4 | -166.7 | 78.6 | 0 | 0 | 123.5 | | |
| 219 | T | 26.6 | Very low | 27.6 | Very low | 100 Ų | 100 | 130.5 Ų | 130.5 | 61% | 0.613 | 76% | 0.761 | S | S | * | * | | | cis | -177.7 | 130.9 | -27.6 | -66.6 | 0 | 0 | 0 | 0 | 105.1 | | |
| 220 | L | 27.4 | Very low | 27.5 | Very low | 154 Ų | 154 | 132 Ų | 132 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | | | | 161.5 | 109.3 | 127.4 | -102.6 | 106.8 | 0 | 0 | 0 | 113.4 | | |
| 221 | V | 24.7 | Very low | 27.3 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | | | trans | 26.9 | 122.5 | 133.1 | -153.5 | 0 | 0 | 0 | 0 | 119 | | |
| 222 | Q | 25.8 | Very low | 27.3 | Very low | 162 Ų | 162 | 135 Ų | 135 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | | | | 165 | 132 | 102.3 | -167.5 | 136.5 | -10.4 | 0 | 0 | 114.4 | | |
| 223 | Q | 26.3 | Very low | 27.2 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | | | trans | 73.5 | 97.2 | 147.3 | -161.2 | 162.7 | 30.9 | 0 | 0 | 122.4 | | |
| 224 | N | 25.1 | Very low | 27 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | | 65.4 | 76.2 | 120 | -159.9 | 93.4 | 0 | 0 | 0 | 121 | | |
| 225 | Q | 24.1 | Very low | 26.7 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | -168.6 | 131.9 | 146.5 | -121.4 | 177.2 | 8.4 | 0 | 0 | 111.3 | | |
| 226 | P | 27.5 | Very low | 26.6 | Very low | 134 Ų | 134 | 137 Ų | 137 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | | | trans | -89.3 | 101.1 | 161.9 | 31.7 | -26.7 | 0 | 0 | 0 | 109.7 | | |
| 227 | T | 26.3 | Very low | 26.4 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 146.1 | 176.7 | -2.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 228 | A | 25.1 | Very low | 26.6 | Very low | 99 Ų | 99 | 136 Ų | 136 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67 | 142.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 229 | V | 24.5 | Very low | 26.2 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 123.2 | 175.1 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | F231 | V229-F231 HydrophobicContact CG1-CD2 4.3Å; V229-F231 HydrophobicContact CG1-CE2 3.78Å; V229-F231 HydrophobicContact CG1-CZ 4.3Å |
| 230 | H | 23.8 | Very low | 26.5 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 127.2 | -177.3 | -137.2 | -106.1 | 0 | 0 | 0 | 110.3 | | |
| 231 | F | 23.4 | Very low | 26.3 | Very low | 187 Ų | 187 | 131.6 Ų | 131.6 | 82% | 0.82 | 79% | 0.79 | S | S | * | * | | | trans | -116.7 | 108.7 | 169.3 | -78.9 | -78.8 | 0 | 0 | 0 | 110.4 | V229 | V229-F231 HydrophobicContact CG1-CD2 4.3Å; V229-F231 HydrophobicContact CG1-CE2 3.78Å; V229-F231 HydrophobicContact CG1-CZ 4.3Å |
| 232 | T | 27.1 | Very low | 26.4 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 68% | 0.681 | 80% | 0.798 | S | S | * | * | | | trans | -88 | 118.6 | 176.2 | 44.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 233 | T | 24.8 | Very low | 26.5 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | -77.5 | 126.4 | 168.9 | -60.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 234 | I | 26.2 | Very low | 26.4 | Very low | 156 Ų | 156 | 132.3 Ų | 132.3 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | | | trans | -89.9 | 113 | 178.8 | -45.4 | 172.5 | 0 | 0 | 0 | 108.2 | | |
| 235 | S | 27.3 | Very low | 26.6 | Very low | 117 Ų | 117 | 131 Ų | 131 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -110 | 117.9 | 167.2 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 236 | S | 29.6 | Very low | 26.8 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | -93.4 | 113.2 | 179.7 | 40.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 237 | G | 27.2 | Very low | 27 | Very low | 77 Ų | 77 | 125.9 Ų | 125.9 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | | | trans | -171.2 | 50.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 238 | S | 33.4 | Very low | 27.1 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | trans | -133.1 | 100.6 | 178.4 | 43.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 239 | G | 25.2 | Very low | 27.5 | Very low | 80 Ų | 80 | 128.1 Ų | 128.1 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | -77.4 | 120.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 240 | L | 31.1 | Very low | 27.8 | Very low | 179 Ų | 179 | 126.3 Ų | 126.3 | 94% | 0.937 | 81% | 0.808 | S | S | * | * | | | trans | -137.4 | 143.3 | 160 | -130.8 | 92.6 | 0 | 0 | 0 | 108.8 | | |
| 241 | A | 24.9 | Very low | 28.2 | Very low | 84 Ų | 84 | 123.7 Ų | 123.7 | 69% | 0.694 | 81% | 0.809 | S | S | * | * | | | trans | -96.7 | 177.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 242 | I | 25.1 | Very low | 28.4 | Very low | 172 Ų | 172 | 120.4 Ų | 120.4 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | | | trans | 81.3 | 92.8 | 163.4 | -44 | 164.1 | 0 | 0 | 0 | 116 | | |
| 243 | A | 28.2 | Very low | 28.6 | Very low | 101 Ų | 101 | 121.8 Ų | 121.8 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | | | | -161.5 | 154.8 | 125.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 244 | Q | 25.3 | Very low | 28.6 | Very low | 187 Ų | 187 | 123 Ų | 123 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | trans | -92.6 | 172.7 | -164.1 | -64.5 | 160.8 | -83.4 | 0 | 0 | 114.7 | | |
| 245 | S | 28.3 | Very low | 28.8 | Very low | 120 Ų | 120 | 120.3 Ų | 120.3 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | | | trans | 92.9 | 142.5 | 160 | 81 | 0 | 0 | 0 | 0 | 117.2 | | |
| 246 | S | 27.9 | Very low | 28.7 | Very low | 112 Ų | 112 | 119.5 Ų | 119.5 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | | | cis | -167.1 | 159.3 | -22.4 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 247 | A | 31.9 | Very low | 28.7 | Very low | 80 Ų | 80 | 119.5 Ų | 119.5 | 66% | 0.661 | 81% | 0.813 | S | S | * | * | | | trans | 72 | 143.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 248 | N | 28.6 | Very low | 28.9 | Very low | 150 Ų | 150 | 120.5 Ų | 120.5 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | | | cis | -164.7 | 163.7 | -14.3 | -112.5 | -6.6 | 0 | 0 | 0 | 111.4 | | |
| 249 | S | 34.6 | Very low | 28.8 | Very low | 116 Ų | 116 | 121 Ų | 121 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | | | trans | 83.3 | 106.8 | 152.3 | -58.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 250 | G | 30.8 | Very low | 29 | Very low | 81 Ų | 81 | 125 Ų | 125 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | | | trans | 90.8 | 136.2 | 148.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 251 | S | 31.5 | Very low | 28.9 | Very low | 115 Ų | 115 | 121 Ų | 121 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | cis | -155.7 | 168.4 | -9.1 | -164.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 252 | T | 28.4 | Very low | 29 | Very low | 118 Ų | 118 | 123 Ų | 123 | 72% | 0.724 | 81% | 0.814 | S | S | * | * | | | trans | -41.1 | 156.5 | 174.2 | 53.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 253 | V | 31.3 | Very low | 29.1 | Very low | 139 Ų | 139 | 121.3 Ų | 121.3 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | | | cis | -156.3 | 172.8 | 40 | -140.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 254 | I | 24.5 | Very low | 29.1 | Very low | 164 Ų | 164 | 121.6 Ų | 121.6 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | | | trans | -85.2 | 141.7 | -175.5 | -62.8 | 156.3 | 0 | 0 | 0 | 113.5 | | |
| 255 | A | 29.9 | Very low | 29.1 | Very low | 100 Ų | 100 | 116.8 Ų | 116.8 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | | | trans | -173.1 | 153.6 | 137.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 256 | A | 25.4 | Very low | 29.2 | Very low | 101 Ų | 101 | 117.3 Ų | 117.3 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | -122.4 | 145.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 257 | S | 29.6 | Very low | 29.2 | Very low | 117 Ų | 117 | 118.3 Ų | 118.3 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -174.2 | 124.2 | 151.5 | 54.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 258 | A | 31.6 | Very low | 29 | Very low | 98 Ų | 98 | 119.4 Ų | 119.4 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | | | trans | 56.2 | 140.4 | 151.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 259 | P | 30.9 | Very low | 29 | Very low | 127 Ų | 127 | 116.2 Ų | 116.2 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | -86.2 | 145.4 | 176.4 | 35.8 | -33.4 | 0 | 0 | 0 | 112 | | |
| 260 | N | 30.3 | Very low | 28.7 | Very low | 164 Ų | 164 | 116.9 Ų | 116.9 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | trans | -133.7 | 143.9 | 165.9 | -121.5 | 7.2 | 0 | 0 | 0 | 110.4 | | |
| 261 | A | 27.7 | Very low | 28.4 | Very low | 96 Ų | 96 | 120 Ų | 120 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | | | trans | -43.4 | 127.1 | -164.6 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 262 | T | 27.4 | Very low | 28.1 | Very low | 125 Ų | 125 | 122.8 Ų | 122.8 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | | | trans | -95.2 | 99.2 | 167.4 | -47.9 | 0 | 0 | 0 | 0 | 110.2 | V264 | T262-V264 HydrophobicContact CG2-CG2 3.78Å; T262-V264 PolarHBondContact O-N 3.45Å |
| 263 | T | 27.7 | Very low | 27.8 | Very low | 137 Ų | 137 | 126.4 Ų | 126.4 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | | | trans | -79.2 | 98.2 | 168.2 | -51.9 | 0 | 0 | 0 | 0 | 109.2 | A265 | T263-A265 PolarHBondContact O-N 3.26Š|
| 264 | V | 27.2 | Very low | 27.4 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 64% | 0.642 | 79% | 0.791 | S | S | * | * | | | trans | -83.7 | 105.5 | 174.6 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | T262 T266 | T262-V264 HydrophobicContact CG2-CG2 3.78Å; T262-V264 PolarHBondContact O-N 3.45Å; V264-T266 HydrophobicContact CG1-CG2 4.33Å; V264-T266 PolarHBondContact O-N 2.82Å |
| 265 | A | 26.4 | Very low | 27.5 | Very low | 87 Ų | 87 | 123.9 Ų | 123.9 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | | | trans | -77.7 | 102 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | T263 T267 | T263-A265 PolarHBondContact O-N 3.26Å; A265-T267 PolarHBondContact O-N 2.97Å |
| 266 | T | 29 | Very low | 27.3 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | | | trans | -82.6 | 98.5 | 173.2 | 36.8 | 0 | 0 | 0 | 0 | 110.8 | V264 A268 | V264-T266 HydrophobicContact CG1-CG2 4.33Å; V264-T266 PolarHBondContact O-N 2.82Å; T266-A268 PolarHBondContact O-N 3.1Å |
| 267 | T | 29.2 | Very low | 27.4 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | | | trans | -71.7 | 106.2 | 171.2 | 52.3 | 0 | 0 | 0 | 0 | 110.4 | A265 A269 | A265-T267 PolarHBondContact O-N 2.97Å; T267-A269 PolarHBondContact O-N 3.25Å |
| 268 | A | 27.7 | Very low | 27.5 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 116.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T266 | T266-A268 PolarHBondContact O-N 3.1Š|
| 269 | A | 27.4 | Very low | 27.3 | Very low | 84 Ų | 84 | 130.3 Ų | 130.3 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 143.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | T267 L271 | T267-A269 PolarHBondContact O-N 3.25Å; A269-L271 PolarHBondContact O-N 3.06Å |
| 270 | P | 28.8 | Very low | 27.4 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 123.1 | 177.2 | 28.2 | -33.4 | 0 | 0 | 0 | 110.8 | Q272 | P270-Q272 PolarHBondContact O-N 2.9Š|
| 271 | L | 25.1 | Very low | 27.3 | Very low | 146 Ų | 146 | 126.3 Ų | 126.3 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 124.3 | 172.7 | -66.1 | 175.6 | 0 | 0 | 0 | 110 | A269 | A269-L271 PolarHBondContact O-N 3.06Š|
| 272 | Q | 23.8 | Very low | 27.3 | Very low | 174 Ų | 174 | 126.6 Ų | 126.6 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 132.2 | 169.3 | -125.8 | -151.6 | 57.5 | 0 | 0 | 110 | P270 | P270-Q272 PolarHBondContact O-N 2.9Š|
| 273 | Y | 23.2 | Very low | 27.2 | Very low | 195 Ų | 195 | 124.6 Ų | 124.6 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -99 | 121.5 | 171.6 | -66.7 | -85.3 | 0 | 0 | 0 | 109.7 | | |
| 274 | V | 23.5 | Very low | 27.2 | Very low | 111 Ų | 111 | 122.7 Ų | 122.7 | 67% | 0.673 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 119.6 | 171.1 | 177.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 275 | L | 25.9 | Very low | 27.2 | Very low | 139 Ų | 139 | 123.3 Ų | 123.3 | 73% | 0.728 | 78% | 0.782 | S | S | * | * | | | trans | -103.6 | 100.4 | 176 | -133.3 | 76.1 | 0 | 0 | 0 | 109.5 | L277 | L275-L277 PolarHBondContact O-N 3.07Š|
| 276 | Q | 24.7 | Very low | 27.2 | Very low | 173 Ų | 173 | 124.4 Ų | 124.4 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | | | trans | -87.7 | 105.8 | 177.1 | -166.4 | 80.5 | 14.8 | 0 | 0 | 109.5 | | |
| 277 | L | 29.1 | Very low | 27.2 | Very low | 110 Ų | 110 | 121.3 Ų | 121.3 | 58% | 0.576 | 79% | 0.785 | S | S | * | * | | | trans | -86 | 141.7 | 169.8 | -69.1 | 99.8 | 0 | 0 | 0 | 110.7 | L275 V279 | L275-L277 PolarHBondContact O-N 3.07Å; L277-V279 PolarHBondContact O-N 3.38Å |
| 278 | P | 30.1 | Very low | 27 | Very low | 125 Ų | 125 | 123.3 Ų | 123.3 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | trans | -73.4 | 124 | 178.1 | 28.9 | -33.2 | 0 | 0 | 0 | 111.3 | G280 | P278-G280 PolarHBondContact O-N 3.24Š|
| 279 | V | 29.2 | Very low | 27 | Very low | 143 Ų | 143 | 123.6 Ų | 123.6 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | | | trans | -78.8 | 100.9 | 170.2 | 179.5 | 0 | 0 | 0 | 0 | 108.6 | L277 | L277-V279 PolarHBondContact O-N 3.38Š|
| 280 | G | 32.1 | Very low | 27.1 | Very low | 73 Ų | 73 | 127.1 Ų | 127.1 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | trans | -76.2 | 119.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P278 | P278-G280 PolarHBondContact O-N 3.24Š|
| 281 | T | 27.8 | Very low | 27.1 | Very low | 134 Ų | 134 | 129.7 Ų | 129.7 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | -71.4 | 125.9 | 172.7 | 48.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 282 | A | 27.2 | Very low | 27.3 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 49.9 | 99.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 283 | G | 26.8 | Very low | 27.3 | Very low | 83 Ų | 83 | 128.7 Ų | 128.7 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | | | trans | 84.6 | 79.5 | 138.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 284 | A | 27.2 | Very low | 27.4 | Very low | 96 Ų | 96 | 125.5 Ų | 125.5 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | | | trans | -154.7 | 130.7 | 149.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 285 | S | 27.6 | Very low | 27.5 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | trans | 7.4 | 122.2 | 158.4 | 53.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 286 | A | 26.5 | Very low | 27.6 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -59.6 | 154.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 287 | G | 27.7 | Very low | 27.8 | Very low | 65 Ų | 65 | 123.7 Ų | 123.7 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | | | trans | 109.8 | 39.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 288 | Q | 26.2 | Very low | 27.7 | Very low | 176 Ų | 176 | 125.1 Ų | 125.1 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | -126.3 | 120.2 | 167.3 | -77.1 | -62.5 | -62.5 | 0 | 0 | 112.1 | | |
| 289 | P | 28 | Very low | 27.6 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 122.7 | 175 | 30.3 | -32.4 | 0 | 0 | 0 | 110.5 | | |
| 290 | F | 28.4 | Very low | 27.5 | Very low | 157 Ų | 157 | 130.6 Ų | 130.6 | 69% | 0.689 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 136.4 | 173.4 | 61.9 | -85.2 | 0 | 0 | 0 | 111 | I292 | F290-I292 HydrophobicContact CD2-CG1 4.03Å; F290-I292 HydrophobicContact CE2-CD1 4.01Å; F290-I292 HydrophobicContact CE2-CG1 3.94Å |
| 291 | Q | 30.2 | Very low | 27.3 | Very low | 184 Ų | 184 | 132 Ų | 132 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 117.1 | -179.2 | -63.1 | -88.3 | -20.2 | 0 | 0 | 109.4 | Q293 | Q291-Q293 PolarHBondContact O-N 3.32Š|
| 292 | I | 27.8 | Very low | 27.3 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | | | trans | -90.1 | 100.6 | 169.3 | -53.7 | 179.1 | 0 | 0 | 0 | 108.6 | F290 V294 | F290-I292 HydrophobicContact CD2-CG1 4.03Å; F290-I292 HydrophobicContact CE2-CD1 4.01Å; F290-I292 HydrophobicContact CE2-CG1 3.94Å; I292-V294 HydrophobicContact CG2-CG2 3.93Å; I292-V294 PolarHBondContact O-N 3.33Å |
| 293 | Q | 24.6 | Very low | 27.4 | Very low | 176 Ų | 176 | 131.8 Ų | 131.8 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | -86.9 | 93.6 | 175.7 | -170.1 | 157.4 | 7.7 | 0 | 0 | 111 | Q291 L295 | Q291-Q293 PolarHBondContact O-N 3.32Å; Q293-L295 PolarHBondContact O-N 3.5Å; Q293-L295 VanDerWaalsContact O-N 3.14Å |
| 294 | V | 25.8 | Very low | 27.5 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | trans | -78 | 95.2 | 173.6 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | I292 | I292-V294 HydrophobicContact CG2-CG2 3.93Å; I292-V294 PolarHBondContact O-N 3.33Å |
| 295 | L | 25.7 | Very low | 27.5 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | | | trans | -78.5 | 127.5 | 176.8 | -170.1 | 70.1 | 0 | 0 | 0 | 110.4 | Q293 Q297 | Q293-L295 PolarHBondContact O-N 3.5Å; Q293-L295 VanDerWaalsContact O-N 3.14Å; L295-Q297 PolarHBondContact O-N 2.81Å; L295-Q297 VanDerWaalsContact O-N 3.07Å |
| 296 | P | 27.8 | Very low | 27.5 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | | | trans | -65.6 | 110.1 | 174.7 | -19.2 | 32.1 | 0 | 0 | 0 | 110.6 | H298 | P296-H298 PolarHBondContact O-N 3.32Å; P296-H298 VanDerWaalsContact O-N 3.09Å |
| 297 | Q | 28.1 | Very low | 27.5 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | | | trans | -70.1 | 105.4 | 168.6 | -78.6 | -72.5 | -3 | 0 | 0 | 108.8 | L295 F299 | L295-Q297 PolarHBondContact O-N 2.81Å; L295-Q297 VanDerWaalsContact O-N 3.07Å; Q297-F299 PolarHBondContact O-N 3.3Å |
| 298 | H | 28 | Very low | 27.5 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 65% | 0.653 | 76% | 0.763 | S | S | * | * | | | trans | -38 | 115.2 | 171.6 | 56.5 | -71.6 | 0 | 0 | 0 | 113.5 | P296 Q300 | P296-H298 PolarHBondContact O-N 3.32Å; P296-H298 VanDerWaalsContact O-N 3.09Å; H298-Q300 PolarHBondContact O-N 2.67Å |
| 299 | F | 27.1 | Very low | 27.4 | Very low | 209 Ų | 209 | 135.4 Ų | 135.4 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | | | trans | -83.6 | 112.8 | 164.1 | -121.8 | -94.9 | 0 | 0 | 0 | 108.8 | Q297 A301 | Q297-F299 PolarHBondContact O-N 3.3Å; F299-A301 PolarHBondContact O-N 2.94Å; F299-A301 VanDerWaalsContact O-N 3.12Å |
| 300 | Q | 26.1 | Very low | 27.4 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | | | trans | -67.9 | 105.9 | 171.5 | -81.4 | -177.1 | -46.1 | 0 | 0 | 109.7 | H298 | H298-Q300 PolarHBondContact O-N 2.67Š|
| 301 | A | 27.8 | Very low | 27.3 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | | | trans | -79 | 114.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | F299 | F299-A301 PolarHBondContact O-N 2.94Å; F299-A301 VanDerWaalsContact O-N 3.12Å |
| 302 | A | 28.2 | Very low | 27.1 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | trans | -88.6 | 120.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 303 | N | 29.2 | Very low | 27 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | | | trans | 63.1 | 104.6 | 158.5 | -53.7 | -19.6 | 0 | 0 | 0 | 117.5 | | |
| 304 | T | 28.8 | Very low | 26.9 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | | 78.7 | 100.5 | 86.5 | -55.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 305 | D | 28.8 | Very low | 26.9 | Very low | 159 Ų | 159 | 127.5 Ų | 127.5 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | | | | -166.8 | 161.2 | 93.6 | -121.2 | -44.3 | 0 | 0 | 0 | 112.3 | | |
| 306 | A | 26 | Very low | 27 | Very low | 86 Ų | 86 | 129.1 Ų | 129.1 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | | | trans | -107 | 142.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 307 | V | 27.8 | Very low | 26.9 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | | | trans | -146.8 | 123.4 | 149.4 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 308 | S | 26.8 | Very low | 26.6 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | 26.8 | 138.7 | 151.4 | -57.7 | 0 | 0 | 0 | 0 | 124.5 | | |
| 309 | A | 25.4 | Very low | 26.5 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | | | trans | -67.6 | 152.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 310 | G | 26.8 | Very low | 26.4 | Very low | 72 Ų | 72 | 123.4 Ų | 123.4 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | | | trans | -177.5 | 102.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 311 | Q | 27.6 | Very low | 26.4 | Very low | 203 Ų | 203 | 121.4 Ų | 121.4 | 95% | 0.949 | 81% | 0.81 | S | S | * | * | | | trans | 57.8 | 144.4 | 156 | -73.4 | -175.8 | -41.2 | 0 | 0 | 121.9 | | |
| 312 | A | 24.8 | Very low | 26.3 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | | | trans | -74.3 | 143.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 313 | G | 25.2 | Very low | 26.2 | Very low | 68 Ų | 68 | 126 Ų | 126 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | | | trans | -176.5 | 120.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I315 | G313-I315 PolarHBondContact O-N 3.31Š|
| 314 | A | 24.2 | Very low | 26 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | | | trans | -73.4 | 124.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 315 | I | 25 | Very low | 25.8 | Very low | 147 Ų | 147 | 127.3 Ų | 127.3 | 75% | 0.754 | 82% | 0.819 | S | S | * | * | | | trans | -138.6 | 110.6 | 174.4 | -64.4 | -172.4 | 0 | 0 | 0 | 110 | G313 | G313-I315 PolarHBondContact O-N 3.31Š|
| 316 | L | 26.7 | Very low | 25.6 | Very low | 158 Ų | 158 | 128 Ų | 128 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | | | trans | 52 | 123.3 | 144.1 | -52.4 | 174.3 | 0 | 0 | 0 | 119.7 | | |
| 317 | A | 25.4 | Very low | 25.6 | Very low | 101 Ų | 101 | 130 Ų | 130 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | | | trans | -87.3 | 119.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 318 | D | 23.5 | Very low | 25.5 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -140.7 | 122.3 | 162.2 | -82.5 | -44.7 | 0 | 0 | 0 | 108 | | |
| 319 | G | 25 | Very low | 25.4 | Very low | 64 Ų | 64 | 128.5 Ų | 128.5 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | S | Bend | trans | 69.6 | 116.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | T321 | G319-T321 PolarHBondContact O-N 3.06Š|
| 320 | N | 25.5 | Very low | 25.5 | Very low | 173 Ų | 173 | 130.9 Ų | 130.9 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | | | trans | 37.6 | 69.6 | 145.1 | -67 | 22.3 | 0 | 0 | 0 | 118.8 | | |
| 321 | T | 26.6 | Very low | 25.5 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | trans | -135.6 | 124.2 | 159.6 | 46.8 | 0 | 0 | 0 | 0 | 111.5 | G319 | G319-T321 PolarHBondContact O-N 3.06Š|
| 322 | L | 25.3 | Very low | 25.5 | Very low | 172 Ų | 172 | 128.4 Ų | 128.4 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | | | trans | -77 | 128 | 174.5 | -70 | 169.6 | 0 | 0 | 0 | 109.6 | L324 | L322-L324 PolarHBondContact O-N 2.7Š|
| 323 | P | 26.6 | Very low | 25.6 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | | | trans | -73.7 | 120.4 | 176.8 | 28.6 | -32.9 | 0 | 0 | 0 | 111.2 | V325 | P323-V325 PolarHBondContact O-N 2.8Š|
| 324 | L | 23.6 | Very low | 25.7 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | | | trans | -72.3 | 114.6 | 169.4 | -177.2 | 75.6 | 0 | 0 | 0 | 109.4 | L322 | L322-L324 PolarHBondContact O-N 2.7Š|
| 325 | V | 25.6 | Very low | 25.9 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | | | trans | -102.6 | 115.6 | 176.4 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | P323 V327 | P323-V325 PolarHBondContact O-N 2.8Å; V325-V327 HydrophobicContact CG1-CG2 4.46Å |
| 326 | Q | 24.1 | Very low | 25.9 | Very low | 173 Ų | 173 | 128 Ų | 128 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | | | trans | -85.2 | 120.3 | 176.1 | 178.5 | 176.6 | -47.1 | 0 | 0 | 110.4 | | |
| 327 | V | 26.2 | Very low | 26 | Very low | 128 Ų | 128 | 125.6 Ų | 125.6 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | -107.1 | 120 | 176.4 | -178.5 | 0 | 0 | 0 | 0 | 110 | V325 | V325-V327 HydrophobicContact CG1-CG2 4.46Š|
| 328 | V | 24.6 | Very low | 26 | Very low | 112 Ų | 112 | 128 Ų | 128 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | | | trans | -95.1 | 120.8 | 172.7 | 174.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 329 | S | 26.4 | Very low | 26.3 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | trans | -84.8 | 130.8 | 176.2 | -175 | 0 | 0 | 0 | 0 | 111.2 | | |
| 330 | Q | 25.9 | Very low | 26.3 | Very low | 159 Ų | 159 | 133 Ų | 133 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | -122.9 | 145.8 | 161.9 | -74.3 | -163.6 | 11.1 | 0 | 0 | 109.6 | G332 | Q330-G332 PolarHBondContact O-N 3.42Š|
| 331 | P | 27 | Very low | 26.4 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 119.3 | -177.8 | 29.5 | -33.5 | 0 | 0 | 0 | 111 | | |
| 332 | G | 27.9 | Very low | 26.5 | Very low | 88 Ų | 88 | 131.5 Ų | 131.5 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 115.4 | 11.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | Q330 | Q330-G332 PolarHBondContact O-N 3.42Š|
| 333 | G | 28.2 | Very low | 26.5 | Very low | 66 Ų | 66 | 127.3 Ų | 127.3 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | | | trans | -146.7 | 129.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 334 | I | 27.1 | Very low | 26.7 | Very low | 156 Ų | 156 | 125.3 Ų | 125.3 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | | | trans | -83.7 | 117.4 | 173 | -61.4 | 173.5 | 0 | 0 | 0 | 108.5 | V336 | I334-V336 HydrophobicContact CG2-CG2 4.4Š|
| 335 | A | 27.1 | Very low | 26.9 | Very low | 94 Ų | 94 | 123.7 Ų | 123.7 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | | | trans | -107.6 | 130 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 336 | V | 26.6 | Very low | 27 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 67% | 0.673 | 79% | 0.792 | S | S | * | * | | | trans | -98 | 126.1 | -176.7 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | I334 I338 | I334-V336 HydrophobicContact CG2-CG2 4.4Å; V336-I338 PolarHBondContact O-N 3.02Å |
| 337 | P | 27.2 | Very low | 27.2 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | | | trans | -77.2 | 113.7 | 169.6 | 30.3 | -31 | 0 | 0 | 0 | 110.2 | | |
| 338 | I | 26.2 | Very low | 27.1 | Very low | 151 Ų | 151 | 129.4 Ų | 129.4 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | | | trans | -83.5 | 117.3 | 166.6 | -59.8 | 174 | 0 | 0 | 0 | 107.4 | V336 | V336-I338 PolarHBondContact O-N 3.02Š|
| 339 | I | 28.7 | Very low | 27.2 | Very low | 138 Ų | 138 | 132 Ų | 132 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | | | trans | -110.8 | 118.9 | 168.5 | -59.6 | 175.3 | 0 | 0 | 0 | 107.3 | | |
| 340 | Q | 26.2 | Very low | 27.1 | Very low | 184 Ų | 184 | 133 Ų | 133 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -111.4 | 106.2 | 177.9 | -175 | 172.2 | 2.7 | 0 | 0 | 107.8 | | |
| 341 | E | 27.5 | Very low | 27.2 | Very low | 176 Ų | 176 | 133.8 Ų | 133.8 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | trans | -132.1 | 143.6 | -178.4 | -107.1 | -89.4 | 90.2 | 0 | 0 | 109.2 | | |
| 342 | A | 27.7 | Very low | 27.1 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -94.5 | 113 | -166.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 343 | G | 26.1 | Very low | 27.1 | Very low | 85 Ų | 85 | 136.6 Ų | 136.6 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 91.9 | 108.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 344 | G | 30.3 | Very low | 27.1 | Very low | 72 Ų | 72 | 139.3 Ų | 139.3 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | | | trans | 134.8 | 97.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R346 | G344-R346 PolarHBondContact O-N 3.49Å; G344-R346 VanDerWaalsContact O-N 3.13Å |
| 345 | S | 27.8 | Very low | 27.2 | Very low | 138 Ų | 138 | 137 Ų | 137 | 97% | 0.965 | 77% | 0.774 | S | S | * | * | | | trans | -62.5 | 112.8 | 176.5 | -62.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 346 | R | 27.9 | Very low | 27.4 | Very low | 229 Ų | 229 | 142.2 Ų | 142.2 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | trans | -135.6 | 103.5 | 173.8 | -155.6 | 175.9 | -175.6 | -133.6 | -1.8 | 110.9 | G344 Q348 | G344-R346 PolarHBondContact O-N 3.49Å; G344-R346 VanDerWaalsContact O-N 3.13Å; R346-Q348 PolarHBondContact O-N 3.26Å |
| 347 | T | 28 | Very low | 27.6 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | | | trans | -63 | 121.3 | 177 | 2.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 348 | Q | 25 | Very low | 27.6 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | | | trans | -103.2 | 132.4 | 171 | -64.3 | -170.8 | 38.8 | 0 | 0 | 109.7 | R346 L350 | R346-Q348 PolarHBondContact O-N 3.26Å; Q348-L350 PolarHBondContact O-N 3.02Å |
| 349 | I | 27.3 | Very low | 27.7 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | | | trans | -85.8 | 108.5 | 175.2 | -61 | 171.2 | 0 | 0 | 0 | 107.8 | Q351 | I349-Q351 PolarHBondContact O-N 3.07Š|
| 350 | L | 24.4 | Very low | 27.7 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | | | trans | -75.5 | 106.6 | 167.8 | -102.8 | 73.5 | 0 | 0 | 0 | 109.2 | Q348 L352 | Q348-L350 PolarHBondContact O-N 3.02Å; L350-L352 PolarHBondContact O-N 2.95Å |
| 351 | Q | 26.5 | Very low | 27.8 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -88 | 95.8 | 171.8 | -159.9 | 168.5 | 39.5 | 0 | 0 | 109.4 | I349 Q353 | I349-Q351 PolarHBondContact O-N 3.07Å; Q351-Q353 PolarHBondContact O-N 3.37Å |
| 352 | L | 25.3 | Very low | 27.7 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 56% | 0.555 | 80% | 0.8 | S | S | * | * | | | trans | -78.8 | 96.7 | 176.3 | -73.9 | 165 | 0 | 0 | 0 | 110.2 | L350 M354 L365 | L350-L352 PolarHBondContact O-N 2.95Å; L352-M354 PolarHBondContact O-N 3.37Å; L352-L365 HydrophobicContact CD1-CD1 4.13Å |
| 353 | Q | 27.9 | Very low | 27.6 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | trans | -69.9 | 95.5 | 171.2 | -172.4 | 96.4 | 2.6 | 0 | 0 | 109.6 | Q351 | Q351-Q353 PolarHBondContact O-N 3.37Š|
| 354 | M | 29.2 | Very low | 27.7 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 60% | 0.601 | 78% | 0.784 | S | S | * | * | | | trans | -74.1 | 131.1 | 173.8 | -67.2 | -66.1 | -81.3 | 0 | 0 | 110 | L352 P363 | L352-M354 PolarHBondContact O-N 3.37Å; M354-P363 HydrophobicContact CE-CB 3.51Å; M354-P363 HydrophobicContact CE-CG 3.58Å |
| 355 | P | 28.8 | Very low | 27.5 | Very low | 107 Ų | 107 | 144.3 Ų | 144.3 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | | | trans | -68.1 | 140.1 | 174.9 | 28.2 | -33.3 | 0 | 0 | 0 | 110.5 | S357 | P355-S357 PolarHBondContact O-N 3.32Š|
| 356 | E | 30.2 | Very low | 27.4 | Very low | 205 Ų | 205 | 146.7 Ų | 146.7 | 96% | 0.958 | 77% | 0.773 | S | S | * | * | | | trans | -58.3 | 107.9 | 175.1 | -169.8 | -178.6 | 126.9 | 0 | 0 | 109.6 | | |
| 357 | S | 30.9 | Very low | 27.4 | Very low | 95 Ų | 95 | 142.3 Ų | 142.3 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | | | trans | -115.7 | 125.9 | -176.4 | -167.8 | 0 | 0 | 0 | 0 | 110.4 | P355 | P355-S357 PolarHBondContact O-N 3.32Š|
| 358 | T | 27.9 | Very low | 27.3 | Very low | 134 Ų | 134 | 144.8 Ų | 144.8 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | trans | -54.1 | 134.6 | -179.3 | -8.4 | 0 | 0 | 0 | 0 | 111.7 | G360 | T358-G360 PolarHBondContact O-N 2.93Š|
| 359 | A | 27.8 | Very low | 27.4 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 88% | 0.876 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -16.5 | 119.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 360 | G | 28.7 | Very low | 27.3 | Very low | 80 Ų | 80 | 142.2 Ų | 142.2 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 130.5 | -4.5 | 151.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | T358 | T358-G360 PolarHBondContact O-N 2.93Š|
| 361 | Q | 28.7 | Very low | 27.3 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | | | trans | -116.9 | 118 | 179.6 | -73.2 | -177.4 | -18 | 0 | 0 | 112.6 | P363 | Q361-P363 WeakPolarHBondContact O-CD 3.39Š|
| 362 | R | 25.2 | Very low | 27.3 | Very low | 238 Ų | 238 | 135.3 Ų | 135.3 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | | | trans | -73.2 | 123.6 | 171 | -77.8 | -174.3 | 170.5 | -142.9 | -2.7 | 109.9 | | |
| 363 | P | 26.3 | Very low | 27.4 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | | | trans | -73.3 | 129.2 | 168.6 | 30.1 | -32.4 | 0 | 0 | 0 | 110.1 | M354 Q361 | M354-P363 HydrophobicContact CE-CB 3.51Å; M354-P363 HydrophobicContact CE-CG 3.58Å; Q361-P363 WeakPolarHBondContact O-CD 3.39Å |
| 364 | T | 27.6 | Very low | 27.3 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | | | trans | -109.8 | 122.2 | 176.5 | -56 | 0 | 0 | 0 | 0 | 109.1 | F366 | T364-F366 HydrophobicContact CG2-CD2 4.04Å; T364-F366 HydrophobicContact CG2-CE2 3.75Å |
| 365 | L | 27.1 | Very low | 27.2 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 65% | 0.654 | 79% | 0.793 | S | S | * | * | | | trans | -104.4 | 109.6 | -177 | -153.6 | 160.3 | 0 | 0 | 0 | 109.6 | L352 L367 | L352-L365 HydrophobicContact CD1-CD1 4.13Å; L365-L367 HydrophobicContact CD2-CD1 3.52Å; L365-L367 HydrophobicContact CD2-CG 4.41Å |
| 366 | F | 25.2 | Very low | 27.3 | Very low | 187 Ų | 187 | 136.5 Ų | 136.5 | 82% | 0.82 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 121.2 | 176.6 | -84.3 | -92.9 | 0 | 0 | 0 | 110.6 | T364 | T364-F366 HydrophobicContact CG2-CD2 4.04Å; T364-F366 HydrophobicContact CG2-CE2 3.75Å |
| 367 | L | 28 | Very low | 27.3 | Very low | 138 Ų | 138 | 135 Ų | 135 | 72% | 0.723 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 116.4 | 163.7 | -78.1 | 88.6 | 0 | 0 | 0 | 109.8 | L365 | L365-L367 HydrophobicContact CD2-CD1 3.52Å; L365-L367 HydrophobicContact CD2-CG 4.41Å |
| 368 | Q | 25.3 | Very low | 27.1 | Very low | 192 Ų | 192 | 138.1 Ų | 138.1 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 119.9 | 170.8 | -174.6 | 91.4 | 45.7 | 0 | 0 | 108.9 | A370 | Q368-A370 PolarHBondContact O-N 3.29Š|
| 369 | Q | 26.6 | Very low | 27 | Very low | 181 Ų | 181 | 135.7 Ų | 135.7 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | trans | -71.6 | 114.4 | 177.8 | -170.9 | 176.1 | 15.2 | 0 | 0 | 111.1 | | |
| 370 | A | 25.1 | Very low | 27 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -83.6 | 143.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q368 | Q368-A370 PolarHBondContact O-N 3.29Š|
| 371 | G | 26.1 | Very low | 26.8 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | | | trans | -79.6 | 150.5 | -158.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 372 | A | 25.6 | Very low | 26.7 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | 49.8 | 90.4 | 145.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 373 | L | 27.6 | Very low | 26.6 | Very low | 167 Ų | 167 | 131 Ų | 131 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | -157.4 | 164.5 | 130.3 | -107.3 | 156.7 | 0 | 0 | 0 | 110 | | |
| 374 | L | 26.4 | Very low | 26.5 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -59.4 | 132.4 | -160.6 | -85.4 | 60.9 | 0 | 0 | 0 | 115.1 | | |
| 375 | G | 26.5 | Very low | 26.4 | Very low | 76 Ų | 76 | 132.3 Ų | 132.3 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | | | trans | 61.9 | 81 | 139 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 376 | T | 31.5 | Very low | 26.4 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | | | trans | -142.4 | 134.6 | 158.8 | 42 | 0 | 0 | 0 | 0 | 111.6 | | |
| 377 | H | 29 | Very low | 26.6 | Very low | 175 Ų | 175 | 128.1 Ų | 128.1 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | trans | -68.5 | 127.1 | 172.4 | -93.9 | -111.4 | 0 | 0 | 0 | 110.3 | | |
| 378 | M | 26.5 | Very low | 26.5 | Very low | 160 Ų | 160 | 130 Ų | 130 | 79% | 0.788 | 82% | 0.815 | S | S | * | * | | | trans | -116.2 | 94.9 | 170 | -81.3 | -76.5 | -75 | 0 | 0 | 109.2 | | |
| 379 | G | 26.9 | Very low | 26.5 | Very low | 82 Ų | 82 | 126.8 Ų | 126.8 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | | | trans | -88 | 125.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 380 | A | 26.5 | Very low | 26.5 | Very low | 97 Ų | 97 | 126.3 Ų | 126.3 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | | | trans | -107.5 | 130 | 173 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 381 | V | 25 | Very low | 26.6 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | | | trans | -112.7 | 122.9 | 172.9 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 382 | I | 26 | Very low | 26.5 | Very low | 163 Ų | 163 | 131.6 Ų | 131.6 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | | | trans | -102.2 | 116.3 | 173.4 | -57.2 | 175.9 | 0 | 0 | 0 | 107 | | |
| 383 | A | 23 | Very low | 26.5 | Very low | 97 Ų | 97 | 133 Ų | 133 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | trans | -74.5 | 138.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 384 | S | 25.7 | Very low | 26.4 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | -116.4 | 146.5 | 162.7 | -169.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 385 | V | 25.7 | Very low | 26.4 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | | | trans | -78.4 | 169.7 | 174 | -174.1 | 0 | 0 | 0 | 0 | 109 | | |
| 386 | D | 26.3 | Very low | 26.3 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 94.3 | 66.4 | 174.4 | -52.3 | -33.4 | 0 | 0 | 0 | 117.9 | H388 | D386-H388 VanDerWaalsContact C-N 3.29Å; D386-H388 PolarHBondContact O-N 3.33Å |
| 387 | G | 28.5 | Very low | 26.2 | Very low | 82 Ų | 82 | 135.7 Ų | 135.7 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 74.2 | -20.7 | 137.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 388 | H | 25.8 | Very low | 26.1 | Very low | 178 Ų | 178 | 131.2 Ų | 131.2 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | trans | -130.5 | 108.2 | -178.2 | -66.6 | 84.8 | 0 | 0 | 0 | 110.9 | D386 Q390 | D386-H388 VanDerWaalsContact C-N 3.29Å; D386-H388 PolarHBondContact O-N 3.33Å; H388-Q390 PolarHBondContact O-N 3.07Å |
| 389 | S | 27.1 | Very low | 26.2 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | | | trans | -85.2 | 97.1 | 173.1 | -74.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 390 | Q | 25 | Very low | 26.2 | Very low | 171 Ų | 171 | 132.9 Ų | 132.9 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | | | trans | -100.1 | 118.5 | 153.7 | -68.6 | -169.3 | 22.7 | 0 | 0 | 108.6 | H388 | H388-Q390 PolarHBondContact O-N 3.07Š|
| 391 | Q | 26.9 | Very low | 26.3 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | | | trans | -93.6 | 100.4 | 173.7 | -67.4 | -172.1 | 13.1 | 0 | 0 | 109.5 | | |
| 392 | I | 24.5 | Very low | 26.4 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 55% | 0.549 | 76% | 0.764 | S | S | . | * | | | trans | -90.2 | 112.8 | 166 | -57.4 | 178.2 | 0 | 0 | 0 | 107.8 | Y394 | I392-Y394 HydrophobicContact CB-CE2 4.34Å; I392-Y394 HydrophobicContact CG2-CD2 4.26Å; I392-Y394 HydrophobicContact CG2-CE1 4.18Å; I392-Y394 HydrophobicContact CG2-CE2 3.65Å |
| 393 | M | 26 | Very low | 26.5 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 61% | 0.606 | 76% | 0.756 | S | S | * | * | | | trans | -102.2 | 93.9 | -172.6 | -168.4 | -169.7 | -53.8 | 0 | 0 | 111 | K30 | K30-M393 WeakPolarHBondContact CE-SD 3.46Å; K30-M393 PolarHBondContact NZ-SD 3.23Å |
| 394 | Y | 25.4 | Very low | 26.6 | Very low | 191 Ų | 191 | 132.8 Ų | 132.8 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | | | trans | -75.5 | 125.7 | 173.3 | -60.4 | -80.2 | 0 | 0 | 0 | 111.2 | I392 | I392-Y394 HydrophobicContact CB-CE2 4.34Å; I392-Y394 HydrophobicContact CG2-CD2 4.26Å; I392-Y394 HydrophobicContact CG2-CE1 4.18Å; I392-Y394 HydrophobicContact CG2-CE2 3.65Å |
| 395 | S | 25.6 | Very low | 26.7 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | trans | -92.2 | 136.6 | 163.6 | 57.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 396 | L | 26 | Very low | 26.7 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | | | trans | -114.1 | 94.5 | 175.9 | -91.1 | 154.2 | 0 | 0 | 0 | 108.7 | A398 L414 | L396-A398 PolarHBondContact O-N 3.32Å; L396-L414 HydrophobicContact CD2-CD2 3.78Å |
| 397 | Q | 28.4 | Very low | 26.7 | Very low | 162 Ų | 162 | 132.8 Ų | 132.8 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | | | trans | -82.1 | 95.9 | -179.8 | -168.3 | 78.4 | -12.1 | 0 | 0 | 110.4 | Q399 | Q397-Q399 PolarHBondContact O-N 3.45Š|
| 398 | A | 27.7 | Very low | 26.5 | Very low | 81 Ų | 81 | 134.8 Ų | 134.8 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | | | trans | -82.9 | 101.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | L396 | L396-A398 PolarHBondContact O-N 3.32Š|
| 399 | Q | 27.9 | Very low | 26.3 | Very low | 162 Ų | 162 | 136 Ų | 136 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | | | trans | -80.6 | 130.9 | 173.2 | -66.9 | -162.8 | 12.3 | 0 | 0 | 111.9 | Q397 L401 | Q397-Q399 PolarHBondContact O-N 3.45Å; Q399-L401 PolarHBondContact O-N 2.9Å |
| 400 | P | 27.5 | Very low | 26.2 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | | | trans | -77.1 | 103 | 174.9 | 30.3 | -32.7 | 0 | 0 | 0 | 110.7 | V402 | P400-V402 PolarHBondContact O-N 3.16Å; P400-V402 VanDerWaalsContact O-N 3.07Å |
| 401 | L | 27.9 | Very low | 26 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 82% | 0.817 | 75% | 0.754 | S | S | * | * | | | trans | -71.8 | 101.5 | 172.2 | -140.8 | 92 | 0 | 0 | 0 | 110 | Q399 S403 | Q399-L401 PolarHBondContact O-N 2.9Å; L401-S403 PolarHBondContact O-N 2.9Å; L401-S403 VanDerWaalsContact O-N 3.07Å |
| 402 | V | 27.1 | Very low | 25.9 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | | | trans | -72.9 | 99.7 | 172.9 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | P400 | P400-V402 PolarHBondContact O-N 3.16Å; P400-V402 VanDerWaalsContact O-N 3.07Å |
| 403 | S | 27.9 | Very low | 25.9 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | trans | -123 | 109.2 | 172.3 | -89.1 | 0 | 0 | 0 | 0 | 111 | L401 N405 | L401-S403 PolarHBondContact O-N 2.9Å; L401-S403 VanDerWaalsContact O-N 3.07Å; S403-N405 PolarHBondContact O-N 2.95Å; S403-N405 VanDerWaalsContact O-N 3.16Å |
| 404 | S | 26.7 | Very low | 25.8 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | trans | -67.1 | 103.4 | 170.3 | 53.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 405 | N | 26.6 | Very low | 25.7 | Very low | 154 Ų | 154 | 130 Ų | 130 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | -177.8 | 159.2 | 130.7 | -93.7 | -34.6 | 0 | 0 | 0 | 112.1 | S403 | S403-N405 PolarHBondContact O-N 2.95Å; S403-N405 VanDerWaalsContact O-N 3.16Å |
| 406 | S | 26.4 | Very low | 25.7 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -56.3 | 144.6 | 178.7 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 407 | S | 25.3 | Very low | 25.7 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 108.6 | 100.9 | 170.3 | -160 | 0 | 0 | 0 | 0 | 115 | R409 | S407-R409 PolarHBondContact O-N 2.78Š|
| 408 | S | 24.7 | Very low | 25.5 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | -10.3 | 106.6 | 159.7 | -53.4 | 0 | 0 | 0 | 0 | 117.9 | | |
| 409 | R | 22.1 | Very low | 25.5 | Very low | 204 Ų | 204 | 135.3 Ų | 135.3 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | 175.2 | 99 | 136.5 | 176.5 | 169.3 | 171.7 | 179.6 | -5 | 110.1 | S407 Q411 | S407-R409 PolarHBondContact O-N 2.78Å; R409-Q411 HydrophobicContact CG-CG 4.13Å; R409-Q411 PolarHBondContact O-N 3.27Å |
| 410 | A | 23.8 | Very low | 25.4 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | | | trans | -66.3 | 122.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 411 | Q | 22.4 | Very low | 25.3 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | trans | -104.4 | 128.2 | 170.6 | -58.2 | -173 | 28.8 | 0 | 0 | 107.5 | R409 | R409-Q411 HydrophobicContact CG-CG 4.13Å; R409-Q411 PolarHBondContact O-N 3.27Å |
| 412 | V | 23.7 | Very low | 25.2 | Very low | 115 Ų | 115 | 135 Ų | 135 | 70% | 0.697 | 79% | 0.792 | S | S | * | * | | | trans | -101.1 | 118.3 | 171.3 | 179.8 | 0 | 0 | 0 | 0 | 107 | L414 | V412-L414 HydrophobicContact CG1-CD2 4.31Š|
| 413 | L | 25.1 | Very low | 25.1 | Very low | 159 Ų | 159 | 136 Ų | 136 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | trans | -85.3 | 120.3 | 169.6 | -159.1 | 81.6 | 0 | 0 | 0 | 107.7 | | |
| 414 | L | 24 | Very low | 24.9 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | | | trans | -92.1 | 97.9 | 173.7 | -66.6 | 170 | 0 | 0 | 0 | 108.2 | L396 V412 | L396-L414 HydrophobicContact CD2-CD2 3.78Å; V412-L414 HydrophobicContact CG1-CD2 4.31Å |
| 415 | S | 23.4 | Very low | 24.9 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | | | trans | -81.3 | 123.7 | 161.5 | -68.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 416 | L | 25.9 | Very low | 25 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | | | trans | -78.8 | 124.3 | 159.2 | -75.4 | 76.3 | 0 | 0 | 0 | 106.4 | | |
| 417 | D | 24.8 | Very low | 25 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | | | trans | -108.1 | 114.7 | 170.5 | -162 | 45.4 | 0 | 0 | 0 | 107.4 | A419 | D417-A419 VanDerWaalsContact C-N 3.31Å; D417-A419 PolarHBondContact O-N 3.45Å |
| 418 | E | 25.4 | Very low | 25.1 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | | | trans | -79.4 | 78.1 | 179.5 | -78 | -174 | 102.3 | 0 | 0 | 110.6 | S420 | E418-S420 PolarHBondContact O-N 3.5Å; E418-S420 PolarHBondContact O-OG 3.06Å |
| 419 | A | 27.7 | Very low | 25.3 | Very low | 95 Ų | 95 | 137 Ų | 137 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | -65.5 | 106.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | D417 | D417-A419 VanDerWaalsContact C-N 3.31Å; D417-A419 PolarHBondContact O-N 3.45Å |
| 420 | S | 25.7 | Very low | 25.5 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | -77.7 | 127.2 | -160.5 | -46.5 | 0 | 0 | 0 | 0 | 113.4 | E418 | E418-S420 PolarHBondContact O-N 3.5Å; E418-S420 PolarHBondContact O-OG 3.06Å |
| 421 | E | 24.9 | Very low | 25.6 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | trans | -165.6 | 88.8 | 142.5 | -113.3 | 178.2 | -169.8 | 0 | 0 | 110 | | |
| 422 | C | 25.3 | Very low | 25.8 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | | | trans | -126 | 121 | 168.4 | -79.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 423 | I | 26.2 | Very low | 25.8 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | | | trans | -65.2 | 146.8 | -179.6 | -68.6 | 164.7 | 0 | 0 | 0 | 110.1 | | |
| 424 | S | 23.7 | Very low | 26 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -17.3 | 150 | 175.3 | 57.6 | 0 | 0 | 0 | 0 | 120.1 | | |
| 425 | S | 25.1 | Very low | 25.9 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | | | trans | 84.1 | 79.8 | 161.4 | -176.5 | 0 | 0 | 0 | 0 | 117.6 | | |
| 426 | I | 28.6 | Very low | 26.2 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | | | | -133.8 | 115.1 | 127.1 | -94.3 | 153.5 | 0 | 0 | 0 | 106.9 | D428 | I426-D428 HydrophobicContact CG2-CB 4.41Š|
| 427 | A | 26.7 | Very low | 26.1 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | trans | -95.3 | 97.3 | 169 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 428 | D | 28.7 | Very low | 26.4 | Very low | 153 Ų | 153 | 135 Ų | 135 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -140.6 | 145 | 164 | -112.3 | -38.1 | 0 | 0 | 0 | 110.9 | I426 | I426-D428 HydrophobicContact CG2-CB 4.41Š|
| 429 | S | 27.5 | Very low | 26.4 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 67% | 0.671 | 80% | 0.804 | S | S | * | * | | | trans | -96.5 | 149.4 | -159.4 | -59.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 430 | N | 27 | Very low | 26.3 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | trans | 85.6 | 99.6 | 168.8 | -44.5 | -66.7 | 0 | 0 | 0 | 118 | | |
| 431 | C | 25.8 | Very low | 26.3 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | | | | -167.2 | 119.9 | 96.9 | 61.4 | 0 | 0 | 0 | 0 | 110 | | |
| 432 | I | 27.1 | Very low | 26.4 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | | | | 64.1 | 101.4 | 97 | -58.8 | 172.2 | 0 | 0 | 0 | 113.9 | | |
| 433 | T | 23.3 | Very low | 26.4 | Very low | 133 Ų | 133 | 128.1 Ų | 128.1 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | | | trans | -56.3 | 148 | 167.7 | 52.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 434 | S | 29.1 | Very low | 26.4 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | | | trans | -151.9 | 108.9 | 145.9 | 46.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 435 | N | 22.7 | Very low | 26.6 | Very low | 173 Ų | 173 | 132 Ų | 132 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | | | trans | -66.1 | 136.6 | 160.1 | -78.5 | -32.4 | 0 | 0 | 0 | 109.5 | | |
| 436 | S | 29.3 | Very low | 26.8 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | | | trans | -146.5 | 137 | 155.7 | 66.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 437 | S | 23.9 | Very low | 26.6 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | | | trans | -110.4 | 126.9 | -176.6 | 168.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 438 | I | 30.5 | Very low | 26.7 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | | | trans | -144.3 | 91 | 164.3 | -52.2 | -178.8 | 0 | 0 | 0 | 107.1 | | |
| 439 | H | 26.6 | Very low | 26.6 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 70% | 0.704 | 81% | 0.813 | S | S | * | * | | | | 64.9 | 106.6 | 86.5 | -119 | -76.5 | 0 | 0 | 0 | 116.7 | | |
| 440 | T | 25.4 | Very low | 26.5 | Very low | 128 Ų | 128 | 135 Ų | 135 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | | | trans | 47.9 | 124 | 145.4 | 44.1 | 0 | 0 | 0 | 0 | 121.8 | | |
| 441 | G | 25.2 | Very low | 26.8 | Very low | 80 Ų | 80 | 133 Ų | 133 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | 146.3 | 93 | 132.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 442 | A | 27 | Very low | 27 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | | | trans | -177.1 | 112.8 | 138.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 443 | A | 25 | Very low | 27.3 | Very low | 89 Ų | 89 | 137 Ų | 137 | 74% | 0.736 | 83% | 0.825 | S | S | * | * | | | trans | -118.7 | 163.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 444 | Q | 26.3 | Very low | 27.4 | Very low | 189 Ų | 189 | 137.5 Ų | 137.5 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | | | trans | 79.1 | 152 | 175.5 | -51.6 | 177.5 | -91.4 | 0 | 0 | 116.5 | | |
| 445 | L | 27.9 | Very low | 27.4 | Very low | 160 Ų | 160 | 140 Ų | 140 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | | | trans | 79.6 | 114.9 | -167.1 | -52.6 | -179.6 | 0 | 0 | 0 | 113.3 | | |
| 446 | L | 29 | Very low | 27.5 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | | | cis | -143.2 | 152.3 | -0.4 | -93.4 | 162.2 | 0 | 0 | 0 | 111.1 | | |
| 447 | D | 24.7 | Very low | 27.4 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | | | trans | -66 | -177.9 | 162.2 | -164.2 | 2.4 | 0 | 0 | 0 | 110.6 | | |
| 448 | E | 28.6 | Very low | 27.4 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | | | trans | 93.1 | 61.9 | 170.2 | -148.7 | 115.1 | 153.4 | 0 | 0 | 118.2 | | |
| 449 | A | 27.8 | Very low | 27.3 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | | | trans | -156.6 | 46.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 450 | A | 25 | Very low | 27.1 | Very low | 93 Ų | 93 | 131.4 Ų | 131.4 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | | | trans | -133 | 87 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 451 | S | 32.3 | Very low | 27.2 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | -163.9 | 155.8 | 161.1 | -85.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 452 | E | 30.6 | Very low | 27.2 | Very low | 186 Ų | 186 | 132.7 Ų | 132.7 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 69.3 | 71.9 | -179.6 | -52.6 | -157.1 | 140.6 | 0 | 0 | 117 | | |
| 453 | L | 32.6 | Very low | 27.4 | Very low | 174 Ų | 174 | 136.3 Ų | 136.3 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | | | | -170.6 | 101.2 | 111.1 | -101 | 147.2 | 0 | 0 | 0 | 110.8 | | |
| 454 | D | 25.7 | Very low | 27.3 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | | | trans | -79.6 | 130.5 | 174 | 177.6 | 30.8 | 0 | 0 | 0 | 110.5 | | |
| 455 | I | 29.6 | Very low | 27.5 | Very low | 169 Ų | 169 | 135.2 Ų | 135.2 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | | | trans | -170.8 | 123.4 | 150.2 | -93.6 | 145.2 | 0 | 0 | 0 | 107.3 | | |
| 456 | A | 23.8 | Very low | 27.4 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | | | trans | -117 | 138.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 457 | S | 27.9 | Very low | 27.2 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | -165.3 | 110 | 149.3 | -175.1 | 0 | 0 | 0 | 0 | 107.2 | | |
| 458 | S | 24.5 | Very low | 27.5 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | | | | 50.5 | 118.1 | 86 | -159.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 459 | V | 27.9 | Very low | 27.3 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | | | | -144.5 | 148.6 | 58.1 | 162.4 | 0 | 0 | 0 | 0 | 112.9 | V461 | V459-V461 HydrophobicContact CG1-CG2 4.23Š|
| 460 | A | 23.2 | Very low | 27.5 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | | | trans | -118.7 | 147.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 461 | V | 26.4 | Very low | 27.8 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | | | trans | -141.8 | 116 | 170.3 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | V459 | V459-V461 HydrophobicContact CG1-CG2 4.23Š|
| 462 | P | 26.4 | Very low | 27.4 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 66% | 0.662 | 81% | 0.812 | S | S | * | * | | | trans | -133.3 | 126.8 | 176.6 | 36.7 | -20.7 | 0 | 0 | 0 | 115.5 | | |
| 463 | H | 29.8 | Very low | 27.5 | Very low | 186 Ų | 186 | 140.9 Ų | 140.9 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | | | trans | -155.9 | 115.7 | 159.3 | -67.7 | -65.3 | 0 | 0 | 0 | 107.4 | | |
| 464 | S | 23.6 | Very low | 27.4 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | | 82 | 151.5 | 57.1 | -161.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 465 | V | 29.8 | Very low | 27.5 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | 98.6 | 127.5 | -172.1 | 178.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 466 | S | 26.4 | Very low | 27.5 | Very low | 106 Ų | 106 | 141 Ų | 141 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | | | cis | -161.8 | 149.1 | -20.3 | -94.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 467 | T | 24.9 | Very low | 27.9 | Very low | 131 Ų | 131 | 142.7 Ų | 142.7 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -107.9 | 128 | 174.6 | -44.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 468 | E | 29.8 | Very low | 28 | Very low | 195 Ų | 195 | 146.1 Ų | 146.1 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | | | trans | -119.3 | 141.9 | 164.7 | -70.7 | -157.6 | 158.8 | 0 | 0 | 111.6 | | |
| 469 | I | 26.1 | Very low | 28.1 | Very low | 154 Ų | 154 | 146.3 Ų | 146.3 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | -114.7 | 127.2 | -169.3 | -64.6 | 167.4 | 0 | 0 | 0 | 108.6 | | |
| 470 | L | 32.1 | Very low | 28.3 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 94% | 0.937 | 81% | 0.809 | S | S | * | * | | | trans | -157.3 | 134.3 | 158.5 | -146 | 70.3 | 0 | 0 | 0 | 114.9 | | |
| 471 | G | 30.2 | Very low | 28.5 | Very low | 73 Ų | 73 | 150.8 Ų | 150.8 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | | | trans | 99.8 | 80.5 | 146.6 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 472 | R | 24.9 | Very low | 28.8 | Very low | 245 Ų | 245 | 151.6 Ų | 151.6 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | | | trans | -68.6 | 139.9 | 157.4 | -80.8 | -179.1 | 170.1 | 176.5 | -3.8 | 111.2 | | |
| 473 | K | 32.6 | Very low | 28.9 | Very low | 187 Ų | 187 | 154.3 Ų | 154.3 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | | | trans | -165.8 | 108.4 | 139.7 | -113.9 | 170.8 | -178.7 | 179.4 | 0 | 113.7 | | |
| 474 | D | 29.4 | Very low | 28.9 | Very low | 136 Ų | 136 | 154.1 Ų | 154.1 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | | | trans | 36.1 | 105.1 | 137.4 | -40.8 | -32.4 | 0 | 0 | 0 | 120.2 | | |
| 475 | Y | 27.7 | Very low | 29.1 | Very low | 234 Ų | 234 | 156.7 Ų | 156.7 | 92% | 0.918 | 82% | 0.818 | S | S | * | * | | | trans | -157.6 | 141.9 | 132.5 | -135.8 | -99.4 | 0 | 0 | 0 | 112.4 | | |
| 476 | T | 30.8 | Very low | 28.9 | Very low | 120 Ų | 120 | 155.3 Ų | 155.3 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | | | trans | -91.2 | 158.4 | -179.3 | 39.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 477 | P | 31.1 | Very low | 28.9 | Very low | 131 Ų | 131 | 156.1 Ų | 156.1 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | | | trans | -84.7 | 155.3 | -156.3 | 33.7 | -37 | 0 | 0 | 0 | 114.4 | | |
| 478 | H | 30.8 | Very low | 29.2 | Very low | 183 Ų | 183 | 156.6 Ų | 156.6 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | | | trans | -120.8 | 133.6 | 161.5 | -160.2 | -72.3 | 0 | 0 | 0 | 109.3 | | |
| 479 | S | 26.8 | Very low | 29.1 | Very low | 105 Ų | 105 | 154.1 Ų | 154.1 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -70.1 | 133.4 | -177.1 | -48.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 480 | T | 31.9 | Very low | 29.3 | Very low | 126 Ų | 126 | 151.7 Ų | 151.7 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -153.8 | 92.7 | 150.2 | 43.7 | 0 | 0 | 0 | 0 | 109 | L482 | T480-L482 PolarHBondContact O-N 2.95Š|
| 481 | E | 27.2 | Very low | 29.1 | Very low | 187 Ų | 187 | 146 Ų | 146 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | 17.3 | 101.7 | 130.2 | -164.6 | 174.8 | 123.3 | 0 | 0 | 116.9 | | |
| 482 | L | 32.1 | Very low | 29.1 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -142.6 | 109.9 | 155.7 | -79.4 | -179.8 | 0 | 0 | 0 | 108.8 | T480 H484 | T480-L482 PolarHBondContact O-N 2.95Å; L482-H484 PolarHBondContact O-N 3.27Å; L482-H484 VanDerWaalsContact O-N 3.09Å |
| 483 | D | 29.3 | Very low | 29.2 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | | | trans | -66.5 | 100.3 | 178.5 | -107.1 | -47.7 | 0 | 0 | 0 | 111.3 | K485 | D483-K485 VanDerWaalsContact C-N 3.32Å; D483-K485 PolarHBondContact O-N 3.15Å |
| 484 | H | 29 | Very low | 28.9 | Very low | 182 Ų | 182 | 138.4 Ų | 138.4 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | | | trans | -85.9 | 74.5 | 166 | -82.6 | -68.4 | 0 | 0 | 0 | 110.5 | L482 S486 | L482-H484 PolarHBondContact O-N 3.27Å; L482-H484 VanDerWaalsContact O-N 3.09Å; H484-S486 PolarHBondContact O-N 3.46Å |
| 485 | K | 27.8 | Very low | 29 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | | | trans | -82.6 | 101.9 | 169.8 | -160.4 | 174.8 | -172.3 | -177.1 | 0 | 109.6 | D483 I487 | D483-K485 VanDerWaalsContact C-N 3.32Å; D483-K485 PolarHBondContact O-N 3.15Å; K485-I487 PolarHBondContact O-N 3.16Å; K485-I487 VanDerWaalsContact O-N 3.08Å |
| 486 | S | 26.3 | Very low | 29.1 | Very low | 105 Ų | 105 | 132 Ų | 132 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | | | trans | -66.8 | 105 | 171.9 | -168.3 | 0 | 0 | 0 | 0 | 109.5 | H484 I488 | H484-S486 PolarHBondContact O-N 3.46Å; S486-I488 PolarHBondContact O-N 2.97Å |
| 487 | I | 27.1 | Very low | 28.9 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | | | trans | -87.7 | 94.2 | 175.3 | -62.4 | 175.7 | 0 | 0 | 0 | 107.7 | K485 N489 | K485-I487 PolarHBondContact O-N 3.16Å; K485-I487 VanDerWaalsContact O-N 3.08Å; I487-N489 VanDerWaalsContact CG2-OD1 3.29Å; I487-N489 WeakPolarHBondContact CG2-OD1 3.29Å; I487-N489 PolarHBondContact O-N 3.22Å |
| 488 | I | 31.1 | Very low | 28.9 | Very low | 141 Ų | 141 | 134 Ų | 134 | 72% | 0.723 | 74% | 0.742 | S | S | * | * | | | trans | -79.2 | 95.3 | 168.5 | -8.5 | 177.2 | 0 | 0 | 0 | 107.4 | S486 S490 | S486-I488 PolarHBondContact O-N 2.97Å; I488-S490 PolarHBondContact O-N 3.07Å |
| 489 | N | 27.7 | Very low | 29.1 | Very low | 143 Ų | 143 | 131 Ų | 131 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | | | trans | -76.9 | 88.3 | 178.8 | -93.8 | -10.6 | 0 | 0 | 0 | 110.7 | I487 G491 | I487-N489 VanDerWaalsContact CG2-OD1 3.29Å; I487-N489 WeakPolarHBondContact CG2-OD1 3.29Å; I487-N489 PolarHBondContact O-N 3.22Å; N489-G491 VanDerWaalsContact C-N 3.28Å; N489-G491 PolarHBondContact O-N 3.29Å |
| 490 | S | 29.2 | Very low | 29.4 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | trans | -73.2 | 78.3 | 170.9 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | I488 S492 | I488-S490 PolarHBondContact O-N 3.07Å; S490-S492 PolarHBondContact O-N 2.84Å |
| 491 | G | 29 | Very low | 29.3 | Very low | 59 Ų | 59 | 130.4 Ų | 130.4 | 61% | 0.608 | 73% | 0.726 | S | S | * | * | | | trans | -77.9 | 100.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N489 V493 | N489-G491 VanDerWaalsContact C-N 3.28Å; N489-G491 PolarHBondContact O-N 3.29Å; G491-V493 PolarHBondContact O-N 3.26Å |
| 492 | S | 28.7 | Very low | 29.6 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | | | trans | -68.9 | 114.4 | 171.7 | -66.1 | 0 | 0 | 0 | 0 | 111.4 | S490 M494 | S490-S492 PolarHBondContact O-N 2.84Å; S492-M494 PolarHBondContact O-N 2.82Å |
| 493 | V | 28.6 | Very low | 29.8 | Very low | 93 Ų | 93 | 123.9 Ų | 123.9 | 56% | 0.564 | 70% | 0.702 | S | S | * | * | | | trans | -82.4 | 110.2 | 172.4 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | G491 I495 I510 | G491-V493 PolarHBondContact O-N 3.26Å; V493-I495 HydrophobicContact CG1-CG1 4.14Å; V493-I495 PolarHBondContact O-N 3.38Å; V493-I510 HydrophobicContact CG1-CG2 3.97Å |
| 494 | M | 26.1 | Very low | 29.8 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 70% | 0.7 | 71% | 0.708 | S | S | * | * | | | trans | -76.2 | 116.7 | 167.6 | -73.5 | -164.9 | -65.7 | 0 | 0 | 110 | S492 V513 | S492-M494 PolarHBondContact O-N 2.82Å; M494-V513 HydrophobicContact CE-CG2 4.13Å |
| 495 | I | 30.4 | Very low | 30 | Very low | 115 Ų | 115 | 121.5 Ų | 121.5 | 59% | 0.59 | 71% | 0.708 | S | S | * | * | | | trans | -100.9 | 110.1 | 166.7 | -56.5 | 178 | 0 | 0 | 0 | 106.7 | V493 L499 | V493-I495 HydrophobicContact CG1-CG1 4.14Å; V493-I495 PolarHBondContact O-N 3.38Å; I495-L499 HydrophobicContact CG2-CD1 3.62Å |
| 496 | T | 29.4 | Very low | 30.2 | Very low | 122 Ų | 122 | 119.2 Ų | 119.2 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | | | trans | -78.1 | 139.4 | 177.9 | 51.2 | 0 | 0 | 0 | 0 | 111.3 | D498 | T496-D498 PolarHBondContact O-N 3.33Š|
| 497 | D | 28.3 | Very low | 30.4 | Very low | 152 Ų | 152 | 118.5 Ų | 118.5 | 81% | 0.813 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -58.9 | 100.7 | -178.2 | -69.7 | -75.8 | 0 | 0 | 0 | 114.3 | | |
| 498 | D | 30.9 | Very low | 30.5 | Very low | 140 Ų | 140 | 116.6 Ų | 116.6 | 75% | 0.749 | 69% | 0.694 | S | S | * | * | | | trans | -165.3 | 30.1 | 149 | -112 | -25.7 | 0 | 0 | 0 | 114.6 | T496 V500 | T496-D498 PolarHBondContact O-N 3.33Å; D498-V500 PolarHBondContact O-N 3.18Å |
| 499 | L | 33.6 | Very low | 30.3 | Very low | 119 Ų | 119 | 117.6 Ų | 117.6 | 62% | 0.623 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 11.2 | -170.8 | -110.6 | 94 | 0 | 0 | 0 | 116.9 | I495 | I495-L499 HydrophobicContact CG2-CD1 3.62Š|
| 500 | V | 33.7 | Very low | 30.5 | Very low | 133 Ų | 133 | 114 Ų | 114 | 81% | 0.806 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 1.9 | -168.3 | -174 | 0 | 0 | 0 | 0 | 113.6 | D498 | D498-V500 PolarHBondContact O-N 3.18Š|
| 501 | S | 30.5 | Very low | 30.4 | Very low | 86 Ų | 86 | 115.6 Ų | 115.6 | 60% | 0.601 | 67% | 0.671 | S | S | * | * | | | trans | -134.2 | 7.8 | -173.1 | 68.7 | 0 | 0 | 0 | 0 | 117.5 | T503 | S501-T503 PolarHBondContact O-N 3.08Š|
| 502 | L | 33.6 | Very low | 30.4 | Very low | 92 Ų | 92 | 117.5 Ų | 117.5 | 48% | 0.482 | 67% | 0.671 | S | S | . | * | | | trans | -63.8 | 109.5 | -178.6 | -68.2 | 172.8 | 0 | 0 | 0 | 112 | Q506 V508 | L502-Q506 HydrophobicContact CD2-CB 3.98Å; L502-V508 HydrophobicContact CD1-CG2 4.07Å |
| 503 | T | 35.6 | Very low | 30.4 | Very low | 108 Ų | 108 | 116.7 Ų | 116.7 | 66% | 0.663 | 66% | 0.661 | S | S | * | * | | | trans | -88.9 | 164.6 | 169.5 | 54.3 | 0 | 0 | 0 | 0 | 111 | S501 G505 | S501-T503 PolarHBondContact O-N 3.08Å; T503-G505 PolarHBondContact O-N 3.33Å |
| 504 | E | 29.7 | Very low | 30.3 | Very low | 210 Ų | 210 | 119.4 Ų | 119.4 | 98% | 0.981 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | 109 | -173.4 | -168 | 170.7 | -150.6 | 0 | 0 | 111.9 | | |
| 505 | G | 32.6 | Very low | 30.5 | Very low | 80 Ų | 80 | 117.8 Ų | 117.8 | 83% | 0.825 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 130.6 | -6.1 | 174 | 0 | 0 | 0 | 0 | 0 | 117.2 | T503 | T503-G505 PolarHBondContact O-N 3.33Š|
| 506 | Q | 31.6 | Very low | 30.4 | Very low | 127 Ų | 127 | 118 Ų | 118 | 59% | 0.593 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 133 | 176.7 | -68.2 | -174.1 | -79.4 | 0 | 0 | 112.8 | L502 | L502-Q506 HydrophobicContact CD2-CB 3.98Š|
| 507 | A | 29.9 | Very low | 30.5 | Very low | 90 Ų | 90 | 119.4 Ų | 119.4 | 74% | 0.744 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 143.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 508 | V | 29.9 | Very low | 30.5 | Very low | 83 Ų | 83 | 123.3 Ų | 123.3 | 50% | 0.503 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -100.3 | 125.4 | 175.5 | -179.6 | 0 | 0 | 0 | 0 | 109 | L502 | L502-V508 HydrophobicContact CD1-CG2 4.07Š|
| 509 | E | 28.3 | Very low | 30.6 | Very low | 162 Ų | 162 | 124.8 Ų | 124.8 | 76% | 0.757 | 68% | 0.682 | S | S | * | * | | | trans | -90.7 | 113.9 | 176.6 | -172.4 | 165.3 | -161.6 | 0 | 0 | 109.8 | | |
| 510 | I | 30.1 | Very low | 30.3 | Very low | 67 Ų | 67 | 125.2 Ų | 125.2 | 34% | 0.344 | 69% | 0.693 | S | S | . | * | | | trans | -93.1 | 107.9 | -179 | -58.7 | 172.5 | 0 | 0 | 0 | 108.5 | W85 V493 T512 | W85-I510 HydrophobicContact CZ3-CD1 4.44Å; V493-I510 HydrophobicContact CG1-CG2 3.97Å; I510-T512 PolarHBondContact O-N 2.92Å |
| 511 | H | 28.7 | Very low | 30.1 | Very low | 138 Ų | 138 | 126.2 Ų | 126.2 | 64% | 0.639 | 69% | 0.693 | S | S | * | * | | | trans | -81.2 | 107.6 | 172.2 | -78.7 | -91.3 | 0 | 0 | 0 | 110.9 | V513 | H511-V513 PolarHBondContact O-N 3.22Š|
| 512 | T | 28.5 | Very low | 30.2 | Very low | 98 Ų | 98 | 131.4 Ų | 131.4 | 60% | 0.601 | 71% | 0.708 | S | S | * | * | | | trans | -74.3 | 118.5 | 165.1 | -30.1 | 0 | 0 | 0 | 0 | 108.9 | I510 | I510-T512 PolarHBondContact O-N 2.92Š|
| 513 | V | 28 | Very low | 30.2 | Very low | 93 Ų | 93 | 132 Ų | 132 | 56% | 0.564 | 72% | 0.72 | S | S | * | * | | | trans | -91.2 | 101.5 | 173.1 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | M494 H511 S515 | M494-V513 HydrophobicContact CE-CG2 4.13Å; H511-V513 PolarHBondContact O-N 3.22Å; V513-S515 PolarHBondContact O-N 2.86Å |
| 514 | E | 26.4 | Very low | 30 | Very low | 150 Ų | 150 | 130.3 Ų | 130.3 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | | | trans | -74.1 | 107.9 | 166.3 | -74.4 | -170.6 | 138.8 | 0 | 0 | 109.8 | N516 | E514-N516 PolarHBondContact O-N 3.19Å; E514-N516 PolarHBondContact OE2-ND2 3.09Å |
| 515 | S | 30.8 | Very low | 30.4 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | | | trans | -74.5 | 66.6 | 172.5 | -63.6 | 0 | 0 | 0 | 0 | 111.8 | V513 N517 | V513-S515 PolarHBondContact O-N 2.86Å; S515-N517 PolarHBondContact O-N 3.49Å |
| 516 | N | 28.8 | Very low | 30.4 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 64% | 0.642 | 71% | 0.711 | S | S | * | * | | | trans | -76.4 | 61.7 | 176.7 | -81.6 | -44 | 0 | 0 | 0 | 112.4 | E514 R518 | E514-N516 PolarHBondContact O-N 3.19Å; E514-N516 PolarHBondContact OE2-ND2 3.09Å; N516-R518 VanDerWaalsContact C-N 3.31Å; N516-R518 PolarHBondContact O-N 2.96Å |
| 517 | N | 30.3 | Very low | 30.6 | Very low | 152 Ų | 152 | 127.6 Ų | 127.6 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | | | trans | -75.5 | 81.8 | 170.3 | -86.6 | 6.5 | 0 | 0 | 0 | 110.9 | S515 | S515-N517 PolarHBondContact O-N 3.49Š|
| 518 | R | 28.9 | Very low | 30.8 | Very low | 233 Ų | 233 | 130.8 Ų | 130.8 | 88% | 0.879 | 72% | 0.717 | S | S | * | * | | | trans | -94.4 | 91.4 | 158.2 | -83.2 | -172.8 | 166.7 | -160.5 | -3.3 | 109.3 | N516 C520 | N516-R518 VanDerWaalsContact C-N 3.31Å; N516-R518 PolarHBondContact O-N 2.96Å; R518-C520 PolarHBondContact O-N 3.18Å |
| 519 | E | 33.7 | Very low | 31.1 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | | | trans | -71.5 | 116.5 | 163.3 | -80.3 | -174.4 | 91.2 | 0 | 0 | 109.7 | L521 | E519-L521 PolarHBondContact O-N 3.35Š|
| 520 | C | 26.3 | Very low | 31.4 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 87% | 0.872 | 73% | 0.729 | S | S | * | * | | | trans | -73.2 | 102.4 | 171.8 | -68.1 | 0 | 0 | 0 | 0 | 110.1 | R518 | R518-C520 PolarHBondContact O-N 3.18Š|
| 521 | L | 30.7 | Very low | 31.8 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | | | trans | -103.7 | 81.3 | 170.4 | -108.2 | 147.1 | 0 | 0 | 0 | 109.7 | E519 | E519-L521 PolarHBondContact O-N 3.35Š|
| 522 | E | 32.7 | Very low | 32 | Very low | 196 Ų | 196 | 135.2 Ų | 135.2 | 92% | 0.916 | 76% | 0.755 | S | S | * | * | | | trans | -108.7 | 102.1 | 166.6 | -162.2 | 173 | 173.6 | 0 | 0 | 108.7 | | |
| 523 | S | 33.5 | Very low | 32.4 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | | | trans | -99.2 | 110.3 | -169.4 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 524 | G | 30.7 | Very low | 32.6 | Very low | 71 Ų | 71 | 138 Ų | 138 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | | | trans | 81.2 | 127 | 152 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 525 | V | 37.2 | Very low | 33.1 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | | -176.5 | 125.9 | 97.9 | 153.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 526 | D | 33.5 | Very low | 33.4 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | | | trans | 39.2 | 118.5 | 155.2 | -72.9 | -60.6 | 0 | 0 | 0 | 124.2 | | |
| 527 | S | 36.5 | Very low | 34 | Very low | 89 Ų | 89 | 138.7 Ų | 138.7 | 62% | 0.622 | 77% | 0.774 | S | S | * | * | | | | 79.1 | 111.7 | 120.9 | -67.3 | 0 | 0 | 0 | 0 | 121.8 | | |
| 528 | N | 34.1 | Very low | 34.6 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | | | trans | 65.4 | 108.4 | 144.7 | -56.7 | -46 | 0 | 0 | 0 | 119.6 | | |
| 529 | N | 35.5 | Very low | 35.5 | Very low | 153 Ų | 153 | 135 Ų | 135 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | | 166.2 | 133 | 107.4 | -166.3 | 30.5 | 0 | 0 | 0 | 110.5 | | |
| 530 | P | 34.9 | Very low | 36 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | trans | -95.6 | 129.1 | 179.4 | 34.2 | -30.2 | 0 | 0 | 0 | 112.9 | | |
| 531 | H | 37 | Very low | 36.8 | Very low | 166 Ų | 166 | 133 Ų | 133 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | -157.5 | 131.8 | 152.7 | -140.1 | -80.9 | 0 | 0 | 0 | 112.6 | | |
| 532 | P | 34 | Very low | 37.5 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | trans | -89.2 | 141.8 | 170.2 | 34.6 | -31.7 | 0 | 0 | 0 | 110.9 | | |
| 533 | T | 37.1 | Very low | 37.7 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -146.3 | 126.8 | 164.2 | -43.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 534 | V | 31.6 | Very low | 38 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | | | trans | -75.3 | 139.4 | 173.6 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | T536 | V534-T536 HydrophobicContact CG1-CG2 3.94Š|
| 535 | I | 37.6 | Very low | 38.4 | Very low | 164 Ų | 164 | 138.2 Ų | 138.2 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | | | trans | -135.6 | 140.2 | 152.9 | -58.9 | -176.1 | 0 | 0 | 0 | 107.6 | | |
| 536 | T | 36.5 | Very low | 38.4 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 61% | 0.613 | 79% | 0.786 | S | S | * | * | | | trans | -104.9 | -163.9 | -167 | 46.4 | 0 | 0 | 0 | 0 | 112.6 | V534 | V534-T536 HydrophobicContact CG1-CG2 3.94Š|
| 537 | D | 41.2 | Very low | 38.7 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 68% | 0.684 | 79% | 0.789 | S | S | * | * | | | trans | 94.5 | 90.2 | 163.4 | -43.9 | -8.3 | 0 | 0 | 0 | 111.9 | | |
| 538 | D | 42.3 | Very low | 38.9 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | | | | 89.2 | 113.1 | 73.9 | -81.9 | -42.6 | 0 | 0 | 0 | 112 | | |
| 539 | D | 47.8 | Very low | 39.2 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | | | | -174 | 155 | 120.2 | -111.9 | -45 | 0 | 0 | 0 | 114.5 | | |
| 540 | E | 46.2 | Very low | 39.5 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | | | trans | -63.2 | 170.6 | -177.8 | -81.1 | -165 | 107.5 | 0 | 0 | 116.5 | | |
| 541 | A | 42.7 | Very low | 39.9 | Very low | 77 Ų | 77 | 142.5 Ų | 142.5 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | | | cis | -173 | 154.4 | -20.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 542 | V | 44.7 | Very low | 40.2 | Very low | 219 Ų | 219 | 140.4 Ų | 140.4 | 100% | 1.327 | 81% | 0.807 | S | S | * | * | | | trans | 159.9 | 0 | 137.7 | 160.2 | 0 | 0 | 0 | 0 | 109.4 | | |