| 1 | M | 45.5 | Very low | 58.9 | Low | 243 Ų | 243 | 122.8 Ų | 122.8 | 100% | 1.197 | 68% | 0.68 | S | S | * | * | | | | 0 | 96 | 0 | -173.8 | 167.7 | 172 | 0 | 0 | 106.5 | | |
| 2 | L | 44.6 | Very low | 60.6 | Low | 163 Ų | 163 | 122.8 Ų | 122.8 | 85% | 0.853 | 68% | 0.676 | S | S | * | * | | | trans | -75.3 | 145.7 | 176.3 | -73.7 | 156 | 0 | 0 | 0 | 108.6 | | |
| 3 | P | 55.5 | Low | 62.4 | Low | 98 Ų | 98 | 125.7 Ų | 125.7 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | | | trans | -63.6 | 139.8 | 165.1 | 29.6 | -33.2 | 0 | 0 | 0 | 108.8 | D5 | P3-D5 PolarHBondContact O-N 3.44Š|
| 4 | S | 51.6 | Low | 64.2 | Low | 71 Ų | 71 | 119.6 Ų | 119.6 | 50% | 0.497 | 65% | 0.654 | S | S | . | * | | | trans | -81.5 | 112.7 | 172.3 | -171.7 | 0 | 0 | 0 | 0 | 109.6 | E6 G7 | S4-E6 PolarHBondContact O-N 3.15Å; S4-E6 WeakPolarHBondContact OG-CG 3.43Å; S4-E6 PolarHBondContact OG-OE2 3.22Å; S4-G7 PolarHBondContact O-N 2.97Å |
| 5 | D | 60.4 | Low | 65.8 | Low | 109 Ų | 109 | 122.1 Ų | 122.1 | 58% | 0.583 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -17 | 178.7 | -70.5 | -44.1 | 0 | 0 | 0 | 113.2 | P3 G7 Q8 L9 | P3-D5 PolarHBondContact O-N 3.44Å; D5-G7 PolarHBondContact O-N 3.27Å; D5-Q8 PolarHBondContact O-N 3.05Å; D5-Q8 PolarHBondContact OD1-NE2 3.07Å; D5-L9 PolarHBondContact O-N 3Å; D5-L9 VanDerWaalsContact O-N 3.09Å |
| 6 | E | 58.6 | Low | 67.3 | Low | 139 Ų | 139 | 120.3 Ų | 120.3 | 65% | 0.65 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -50.9 | -40.6 | 173.5 | -60.9 | 170.4 | 143.9 | 0 | 0 | 111.7 | S4 Q8 L9 F10 | S4-E6 PolarHBondContact O-N 3.15Å; S4-E6 WeakPolarHBondContact OG-CG 3.43Å; S4-E6 PolarHBondContact OG-OE2 3.22Å; E6-Q8 VanDerWaalsContact C-N 3.32Å; E6-Q8 PolarHBondContact O-N 3.24Å; E6-L9 PolarHBondContact O-N 2.96Å; E6-F10 WeakPolarHBondContact O-CD2 3.17Å; E6-F10 PolarHBondContact O-N 3.21Å; E6-F10 VanDerWaalsContact O-N 3.1Å |
| 7 | G | 60.8 | Low | 68.6 | Low | 56 Ų | 56 | 117.5 Ų | 117.5 | 58% | 0.577 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.3 | -31.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S4 D5 G11 | S4-G7 PolarHBondContact O-N 2.97Å; D5-G7 PolarHBondContact O-N 3.27Å; G7-G11 PolarHBondContact O-N 3.3Å |
| 8 | Q | 61.1 | Low | 69.9 | Low | 135 Ų | 135 | 116.2 Ų | 116.2 | 63% | 0.631 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -76.4 | -39.4 | 175.9 | -61.9 | -168.2 | 60.9 | 0 | 0 | 111.2 | D5 E6 G11 L12 | D5-Q8 PolarHBondContact O-N 3.05Å; D5-Q8 PolarHBondContact OD1-NE2 3.07Å; E6-Q8 VanDerWaalsContact C-N 3.32Å; E6-Q8 PolarHBondContact O-N 3.24Å; Q8-G11 PolarHBondContact O-N 3.19Å; Q8-L12 PolarHBondContact O-N 3.45Å |
| 9 | L | 62.7 | Low | 71 | Confident | 127 Ų | 127 | 112.7 Ų | 112.7 | 67% | 0.665 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65 | -43.4 | -179.9 | -164.9 | 68.9 | 0 | 0 | 0 | 112 | D5 E6 L12 Y13 | D5-L9 PolarHBondContact O-N 3Å; D5-L9 VanDerWaalsContact O-N 3.09Å; E6-L9 PolarHBondContact O-N 2.96Å; L9-L12 PolarHBondContact O-N 2.8Å; L9-Y13 WeakPolarHBondContact O-CB 3.46Å; L9-Y13 PolarHBondContact O-N 2.77Å |
| 10 | F | 69.7 | Low | 72.1 | Confident | 165 Ų | 165 | 111.7 Ų | 111.7 | 72% | 0.724 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.5 | -38.7 | 172.6 | -89.7 | -78.5 | 0 | 0 | 0 | 112.7 | E6 G14 | E6-F10 WeakPolarHBondContact O-CD2 3.17Å; E6-F10 PolarHBondContact O-N 3.21Å; E6-F10 VanDerWaalsContact O-N 3.1Å; F10-G14 PolarHBondContact O-N 3.05Å |
| 11 | G | 77 | Confident | 73.1 | Confident | 45 Ų | 45 | 112.4 Ų | 112.4 | 46% | 0.464 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.5 | -46.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G7 Q8 G14 Y15 | G7-G11 PolarHBondContact O-N 3.3Å; Q8-G11 PolarHBondContact O-N 3.19Å; G11-G14 PolarHBondContact O-N 2.97Å; G11-Y15 WeakPolarHBondContact O-CB 3.23Å; G11-Y15 PolarHBondContact O-N 2.85Å |
| 12 | L | 79.5 | Confident | 75.3 | Confident | 122 Ų | 122 | 105.2 Ų | 105.2 | 64% | 0.639 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.8 | -44.9 | 177.8 | -165.6 | 82.4 | 0 | 0 | 0 | 111.6 | Q8 L9 Y15 L16 | Q8-L12 PolarHBondContact O-N 3.45Å; L9-L12 PolarHBondContact O-N 2.8Å; L12-Y15 PolarHBondContact O-N 2.93Å; L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 PolarHBondContact O-N 2.8Å |
| 13 | Y | 84.1 | Confident | 77.5 | Confident | 161 Ų | 161 | 99.8 Ų | 99.8 | 63% | 0.631 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.6 | -42.4 | 179.1 | -167.4 | -94.8 | 0 | 0 | 0 | 111.9 | L9 Y15 L16 V17 | L9-Y13 WeakPolarHBondContact O-CB 3.46Å; L9-Y13 PolarHBondContact O-N 2.77Å; Y13-Y15 PolarHBondContact O-N 2.9Å; Y13-L16 PolarHBondContact O-N 2.92Å; Y13-V17 HydrophobicContact CD1-CG2 4.04Å; Y13-V17 HydrophobicContact CE1-CG2 3.73Å; Y13-V17 WeakPolarHBondContact O-CG2 3.46Å; Y13-V17 PolarHBondContact O-N 3.05Å |
| 14 | G | 87.8 | Confident | 79.3 | Confident | 40 Ų | 40 | 99.6 Ų | 99.6 | 41% | 0.412 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | F10 G11 L18 | F10-G14 PolarHBondContact O-N 3.05Å; G11-G14 PolarHBondContact O-N 2.97Å; G14-L18 WeakPolarHBondContact O-CB 3.41Å; G14-L18 PolarHBondContact O-N 3.27Å |
| 15 | Y | 87.8 | Confident | 81.1 | Confident | 157 Ų | 157 | 99.4 Ų | 99.4 | 62% | 0.616 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66 | -40 | 174.6 | -176.5 | -97.8 | 0 | 0 | 0 | 112.6 | G11 L12 Y13 L18 T19 | G11-Y15 WeakPolarHBondContact O-CB 3.23Å; G11-Y15 PolarHBondContact O-N 2.85Å; L12-Y15 PolarHBondContact O-N 2.93Å; Y13-Y15 PolarHBondContact O-N 2.9Å; Y15-L18 PolarHBondContact O-N 3.38Å; Y15-T19 HydrophobicContact CD1-CG2 4.2Å; Y15-T19 HydrophobicContact CE1-CG2 3.74Å; Y15-T19 HydrophobicContact CE2-CG2 4.16Å; Y15-T19 WeakPolarHBondContact O-CG2 3.19Å; Y15-T19 PolarHBondContact O-N 2.87Å; Y15-T19 PolarHBondContact O-OG1 2.77Å |
| 16 | L | 90 | Very high | 82.3 | Confident | 93 Ų | 93 | 97.4 Ų | 97.4 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64 | -45.7 | 176.5 | -174.9 | 64.3 | 0 | 0 | 0 | 111.6 | L12 Y13 L18 T19 I20 | L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 PolarHBondContact O-N 2.8Å; Y13-L16 PolarHBondContact O-N 2.92Å; L16-L18 PolarHBondContact O-N 2.92Å; L16-T19 WeakPolarHBondContact CA-OG1 3.42Å; L16-T19 PolarHBondContact O-N 3.1Å; L16-T19 PolarHBondContact O-OG1 3.12Å; L16-I20 HydrophobicContact CD1-CD1 4.24Å; L16-I20 HydrophobicContact CG-CD1 4.02Å; L16-I20 VanDerWaalsContact O-CG1 3.28Å; L16-I20 WeakPolarHBondContact O-CG1 3.41Å; L16-I20 PolarHBondContact O-N 3.12Å |
| 17 | V | 90.1 | Very high | 83.8 | Confident | 74 Ų | 74 | 95 Ų | 95 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 175.7 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | Y13 I20 F21 | Y13-V17 HydrophobicContact CD1-CG2 4.04Å; Y13-V17 HydrophobicContact CE1-CG2 3.73Å; Y13-V17 WeakPolarHBondContact O-CG2 3.46Å; Y13-V17 PolarHBondContact O-N 3.05Å; V17-I20 PolarHBondContact O-N 2.84Å; V17-F21 WeakPolarHBondContact O-CB 3.38Å; V17-F21 PolarHBondContact O-N 3.28Å |
| 18 | L | 91.3 | Very high | 84.9 | Confident | 94 Ų | 94 | 97.6 Ų | 97.6 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 178 | -179 | 61.3 | 0 | 0 | 0 | 112.5 | G14 Y15 L16 F21 L22 | G14-L18 WeakPolarHBondContact O-CB 3.41Å; G14-L18 PolarHBondContact O-N 3.27Å; Y15-L18 PolarHBondContact O-N 3.38Å; L16-L18 PolarHBondContact O-N 2.92Å; L18-F21 PolarHBondContact O-N 3.11Å; L18-L22 HydrophobicContact CD1-CD1 4.33Å; L18-L22 HydrophobicContact CD1-CG 4.41Å; L18-L22 HydrophobicContact CG-CD1 4.15Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 2.73Å |
| 19 | T | 91.7 | Very high | 85.9 | Confident | 50 Ų | 50 | 93.8 Ų | 93.8 | 31% | 0.307 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.1 | -38.2 | 178.4 | 47.3 | 0 | 0 | 0 | 0 | 112.2 | Y15 L16 L22 A23 | Y15-T19 HydrophobicContact CD1-CG2 4.2Å; Y15-T19 HydrophobicContact CE1-CG2 3.74Å; Y15-T19 HydrophobicContact CE2-CG2 4.16Å; Y15-T19 WeakPolarHBondContact O-CG2 3.19Å; Y15-T19 PolarHBondContact O-N 2.87Å; Y15-T19 PolarHBondContact O-OG1 2.77Å; L16-T19 WeakPolarHBondContact CA-OG1 3.42Å; L16-T19 PolarHBondContact O-N 3.1Å; L16-T19 PolarHBondContact O-OG1 3.12Å; T19-L22 PolarHBondContact O-N 3.42Å; T19-A23 WeakPolarHBondContact O-CB 3.44Å; T19-A23 PolarHBondContact O-N 3.39Å |
| 20 | I | 92.5 | Very high | 86.8 | Confident | 92 Ų | 92 | 94.5 Ų | 94.5 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 171.5 | -68.1 | 166 | 0 | 0 | 0 | 111 | L16 V17 A23 L24 | L16-I20 HydrophobicContact CD1-CD1 4.24Å; L16-I20 HydrophobicContact CG-CD1 4.02Å; L16-I20 VanDerWaalsContact O-CG1 3.28Å; L16-I20 WeakPolarHBondContact O-CG1 3.41Å; L16-I20 PolarHBondContact O-N 3.12Å; V17-I20 PolarHBondContact O-N 2.84Å; I20-A23 PolarHBondContact O-N 3.31Å; I20-L24 HydrophobicContact CG2-CD1 4.17Å; I20-L24 WeakPolarHBondContact O-CG 3.42Å; I20-L24 PolarHBondContact O-N 2.84Å |
| 21 | F | 92.4 | Very high | 87.3 | Confident | 127 Ų | 127 | 92.9 Ų | 92.9 | 56% | 0.557 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.9 | -43.2 | 178.4 | -177 | -108.5 | 0 | 0 | 0 | 112.5 | V17 L18 L24 I25 | V17-F21 WeakPolarHBondContact O-CB 3.38Å; V17-F21 PolarHBondContact O-N 3.28Å; L18-F21 PolarHBondContact O-N 3.11Å; F21-L24 PolarHBondContact O-N 3.06Å; F21-I25 HydrophobicContact CD1-CD1 3.89Å; F21-I25 HydrophobicContact CE1-CD1 3.5Å; F21-I25 VanDerWaalsContact CE1-CD1 3.5Å; F21-I25 HydrophobicContact CZ-CD1 3.87Å; F21-I25 WeakPolarHBondContact O-CG1 3.37Å; F21-I25 PolarHBondContact O-N 3.07Å; F21-I25 VanDerWaalsContact O-N 3.07Å |
| 22 | L | 92.1 | Very high | 87.3 | Confident | 92 Ų | 92 | 93 Ų | 93 | 48% | 0.482 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 174.4 | -71.8 | 169.3 | 0 | 0 | 0 | 112.1 | L18 T19 L24 I25 C26 | L18-L22 HydrophobicContact CD1-CD1 4.33Å; L18-L22 HydrophobicContact CD1-CG 4.41Å; L18-L22 HydrophobicContact CG-CD1 4.15Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 2.73Å; T19-L22 PolarHBondContact O-N 3.42Å; L22-L24 PolarHBondContact O-N 2.93Å; L22-I25 PolarHBondContact O-N 2.81Å; L22-C26 PolarHBondContact O-N 3.16Å; L22-C26 PolarHBondContact O-SG 2.96Å; L22-C26 VanDerWaalsContact O-SG 3.4Å |
| 23 | A | 91.7 | Very high | 86.7 | Confident | 48 Ų | 48 | 91.1 Ų | 91.1 | 40% | 0.397 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | T19 I20 C26 I27 | T19-A23 WeakPolarHBondContact O-CB 3.44Å; T19-A23 PolarHBondContact O-N 3.39Å; I20-A23 PolarHBondContact O-N 3.31Å; A23-C26 PolarHBondContact O-N 2.9Å; A23-I27 WeakPolarHBondContact O-CD1 3.26Å; A23-I27 VanDerWaalsContact O-CG1 3.25Å; A23-I27 WeakPolarHBondContact O-CG1 3.45Å; A23-I27 PolarHBondContact O-N 2.98Å |
| 24 | L | 91.8 | Very high | 85.9 | Confident | 95 Ų | 95 | 89.5 Ų | 89.5 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 175.2 | -71.9 | 169.9 | 0 | 0 | 0 | 112.4 | I20 F21 L22 I27 L28 | I20-L24 HydrophobicContact CG2-CD1 4.17Å; I20-L24 WeakPolarHBondContact O-CG 3.42Å; I20-L24 PolarHBondContact O-N 2.84Å; F21-L24 PolarHBondContact O-N 3.06Å; L22-L24 PolarHBondContact O-N 2.93Å; L24-I27 PolarHBondContact O-N 3.12Å; L24-L28 VanDerWaalsContact O-CG 3.31Å; L24-L28 WeakPolarHBondContact O-CG 3.36Å; L24-L28 PolarHBondContact O-N 2.9Å |
| 25 | I | 89.3 | Confident | 84.6 | Confident | 66 Ų | 66 | 90.8 Ų | 90.8 | 34% | 0.338 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 173.9 | -70.3 | 168.1 | 0 | 0 | 0 | 110.8 | F21 L22 I27 L28 L29 | F21-I25 HydrophobicContact CD1-CD1 3.89Å; F21-I25 HydrophobicContact CE1-CD1 3.5Å; F21-I25 VanDerWaalsContact CE1-CD1 3.5Å; F21-I25 HydrophobicContact CZ-CD1 3.87Å; F21-I25 WeakPolarHBondContact O-CG1 3.37Å; F21-I25 PolarHBondContact O-N 3.07Å; F21-I25 VanDerWaalsContact O-N 3.07Å; L22-I25 PolarHBondContact O-N 2.81Å; I25-I27 PolarHBondContact O-N 2.81Å; I25-L28 PolarHBondContact O-N 3.16Å; I25-L29 HydrophobicContact CG2-CD1 3.98Å; I25-L29 HydrophobicContact CG2-CG 4.49Å; I25-L29 WeakPolarHBondContact O-CG 3.46Å; I25-L29 PolarHBondContact O-N 3.37Å |
| 26 | C | 87 | Confident | 83 | Confident | 67 Ų | 67 | 87.9 Ų | 87.9 | 45% | 0.453 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 176.2 | -70.6 | 0 | 0 | 0 | 0 | 111.6 | L22 A23 L28 L29 F30 | L22-C26 PolarHBondContact O-N 3.16Å; L22-C26 PolarHBondContact O-SG 2.96Å; L22-C26 VanDerWaalsContact O-SG 3.4Å; A23-C26 PolarHBondContact O-N 2.9Å; C26-L28 PolarHBondContact O-N 3.05Å; C26-L29 PolarHBondContact O-N 3.28Å; C26-F30 VanDerWaalsContact O-CD2 3.27Å; C26-F30 WeakPolarHBondContact O-CD2 3.44Å; C26-F30 PolarHBondContact O-N 3.34Å |
| 27 | I | 88.7 | Confident | 81.6 | Confident | 90 Ų | 90 | 86.3 Ų | 86.3 | 46% | 0.462 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 177.5 | -70.1 | 163.9 | 0 | 0 | 0 | 110.8 | A23 L24 I25 L29 F30 L31 | A23-I27 WeakPolarHBondContact O-CD1 3.26Å; A23-I27 VanDerWaalsContact O-CG1 3.25Å; A23-I27 WeakPolarHBondContact O-CG1 3.45Å; A23-I27 PolarHBondContact O-N 2.98Å; L24-I27 PolarHBondContact O-N 3.12Å; I25-I27 PolarHBondContact O-N 2.81Å; I27-L29 PolarHBondContact O-N 3.35Å; I27-F30 PolarHBondContact O-N 3.07Å; I27-L31 HydrophobicContact CG2-CD1 4.01Å; I27-L31 WeakPolarHBondContact O-CD1 3.47Å; I27-L31 PolarHBondContact O-N 3.17Å |
| 28 | L | 84.9 | Confident | 80.2 | Confident | 109 Ų | 109 | 93.1 Ų | 93.1 | 57% | 0.571 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.4 | -40.5 | 176.7 | -72.5 | 167.5 | 0 | 0 | 0 | 112.6 | L24 I25 C26 F30 L31 S32 | L24-L28 VanDerWaalsContact O-CG 3.31Å; L24-L28 WeakPolarHBondContact O-CG 3.36Å; L24-L28 PolarHBondContact O-N 2.9Å; I25-L28 PolarHBondContact O-N 3.16Å; C26-L28 PolarHBondContact O-N 3.05Å; L28-F30 VanDerWaalsContact C-N 3.32Å; L28-F30 PolarHBondContact O-N 3.36Å; L28-L31 PolarHBondContact O-N 3.34Å; L28-S32 VanDerWaalsContact O-CB 3.28Å; L28-S32 WeakPolarHBondContact O-CB 3.48Å; L28-S32 PolarHBondContact O-N 2.92Å; L28-S32 PolarHBondContact O-OG 3.42Å |
| 29 | L | 81.4 | Confident | 78.9 | Confident | 55 Ų | 55 | 92.2 Ų | 92.2 | 29% | 0.288 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.4 | -24.2 | 176.1 | -69.1 | 173.3 | 0 | 0 | 0 | 113.6 | I25 C26 I27 L39 | I25-L29 HydrophobicContact CG2-CD1 3.98Å; I25-L29 HydrophobicContact CG2-CG 4.49Å; I25-L29 WeakPolarHBondContact O-CG 3.46Å; I25-L29 PolarHBondContact O-N 3.37Å; C26-L29 PolarHBondContact O-N 3.28Å; I27-L29 PolarHBondContact O-N 3.35Å; L29-L39 HydrophobicContact CD1-CD1 4.48Å; L29-L39 HydrophobicContact CD2-CD1 3.91Å |
| 30 | F | 81.1 | Confident | 77.4 | Confident | 143 Ų | 143 | 94.9 Ų | 94.9 | 63% | 0.627 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -81.8 | -38.1 | 171.2 | -86.6 | -73.5 | 0 | 0 | 0 | 112.6 | C26 I27 L28 S32 | C26-F30 VanDerWaalsContact O-CD2 3.27Å; C26-F30 WeakPolarHBondContact O-CD2 3.44Å; C26-F30 PolarHBondContact O-N 3.34Å; I27-F30 PolarHBondContact O-N 3.07Å; L28-F30 VanDerWaalsContact C-N 3.32Å; L28-F30 PolarHBondContact O-N 3.36Å; F30-S32 VanDerWaalsContact C-N 3.32Å |
| 31 | L | 81.8 | Confident | 76.2 | Confident | 131 Ų | 131 | 99.4 Ų | 99.4 | 69% | 0.686 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.1 | -23.4 | 176.9 | -94.9 | 65 | 0 | 0 | 0 | 113.2 | I27 L28 P33 | I27-L31 HydrophobicContact CG2-CD1 4.01Å; I27-L31 WeakPolarHBondContact O-CD1 3.47Å; I27-L31 PolarHBondContact O-N 3.17Å; L28-L31 PolarHBondContact O-N 3.34Å; L31-P33 VanDerWaalsContact C-CD 3.48Å; L31-P33 VanDerWaalsContact O-CD 3.28Å; L31-P33 WeakPolarHBondContact O-CD 3.34Å |
| 32 | S | 75.4 | Confident | 74.6 | Confident | 48 Ų | 48 | 95 Ų | 95 | 34% | 0.336 | 49% | 0.494 | S | S | . | . | | | trans | -116.4 | 73.2 | -177.9 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | L28 F30 D34 T35 R36 | L28-S32 VanDerWaalsContact O-CB 3.28Å; L28-S32 WeakPolarHBondContact O-CB 3.48Å; L28-S32 PolarHBondContact O-N 2.92Å; L28-S32 PolarHBondContact O-OG 3.42Å; F30-S32 VanDerWaalsContact C-N 3.32Å; S32-D34 PolarHBondContact O-N 2.93Å; S32-D34 VanDerWaalsContact O-N 3.13Å; S32-T35 WeakPolarHBondContact CB-OG1 3.49Å; S32-T35 PolarHBondContact O-N 3.17Å; S32-T35 PolarHBondContact O-OG1 3.12Å; S32-R36 PolarHBondContact O-N 3.05Å |
| 33 | P | 67 | Low | 73 | Confident | 81 Ų | 81 | 96 Ų | 96 | 53% | 0.526 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.2 | -31.8 | -178.9 | 22.5 | -33.4 | 0 | 0 | 0 | 113.1 | L31 T35 R36 A37 | L31-P33 VanDerWaalsContact C-CD 3.48Å; L31-P33 VanDerWaalsContact O-CD 3.28Å; L31-P33 WeakPolarHBondContact O-CD 3.34Å; P33-T35 VanDerWaalsContact C-N 3.3Å; P33-T35 PolarHBondContact O-N 3.34Å; P33-R36 WeakPolarHBondContact O-CA 3.35Å; P33-R36 WeakPolarHBondContact O-CB 3.28Å; P33-R36 PolarHBondContact O-N 3.31Å; P33-R36 VanDerWaalsContact O-N 3.11Å; P33-A37 PolarHBondContact O-N 3.38Å |
| 34 | D | 67.6 | Low | 71.3 | Confident | 127 Ų | 127 | 99.2 Ų | 99.2 | 68% | 0.679 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64 | -29.3 | 175.5 | -61 | -36.4 | 0 | 0 | 0 | 113.9 | S32 R38 | S32-D34 PolarHBondContact O-N 2.93Å; S32-D34 VanDerWaalsContact O-N 3.13Å; D34-R38 WeakPolarHBondContact O-CD 3.42Å; D34-R38 VanDerWaalsContact O-CG 3.25Å; D34-R38 WeakPolarHBondContact O-CG 3.33Å |
| 35 | T | 60.1 | Low | 69.7 | Low | 67 Ų | 67 | 99.1 Ų | 99.1 | 41% | 0.411 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -79 | -35.2 | 172.8 | 69.4 | 0 | 0 | 0 | 0 | 110.5 | S32 P33 R38 L39 | S32-T35 WeakPolarHBondContact CB-OG1 3.49Å; S32-T35 PolarHBondContact O-N 3.17Å; S32-T35 PolarHBondContact O-OG1 3.12Å; P33-T35 VanDerWaalsContact C-N 3.3Å; P33-T35 PolarHBondContact O-N 3.34Å; T35-R38 PolarHBondContact O-N 3.23Å; T35-L39 PolarHBondContact O-N 2.96Å |
| 36 | R | 56 | Low | 68.1 | Low | 96 Ų | 96 | 99.2 Ų | 99.2 | 36% | 0.362 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 177 | -157.5 | -171.1 | 167.5 | 171.5 | -2 | 112 | S32 P33 R38 L39 H42 | S32-R36 PolarHBondContact O-N 3.05Å; P33-R36 WeakPolarHBondContact O-CA 3.35Å; P33-R36 WeakPolarHBondContact O-CB 3.28Å; P33-R36 PolarHBondContact O-N 3.31Å; P33-R36 VanDerWaalsContact O-N 3.11Å; R36-R38 VanDerWaalsContact C-N 3.26Å; R36-R38 PolarHBondContact O-N 2.77Å; R36-L39 PolarHBondContact O-N 2.96Å; R36-H42 PolarHBondContact O-CD2 3.23Å |
| 37 | A | 59.3 | Low | 66.7 | Low | 60 Ų | 60 | 98.5 Ų | 98.5 | 50% | 0.496 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -18.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P33 | P33-A37 PolarHBondContact O-N 3.38Š|
| 38 | R | 61.7 | Low | 65.3 | Low | 218 Ų | 218 | 97.6 Ų | 97.6 | 82% | 0.823 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -7.7 | 175.2 | -76.1 | 176.2 | 177 | -140.8 | -0.2 | 114.1 | D34 T35 R36 | D34-R38 WeakPolarHBondContact O-CD 3.42Å; D34-R38 VanDerWaalsContact O-CG 3.25Å; D34-R38 WeakPolarHBondContact O-CG 3.33Å; T35-R38 PolarHBondContact O-N 3.23Å; R36-R38 VanDerWaalsContact C-N 3.26Å; R36-R38 PolarHBondContact O-N 2.77Å |
| 39 | L | 63.9 | Low | 63.9 | Low | 75 Ų | 75 | 98.7 Ų | 98.7 | 39% | 0.393 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -77.6 | 129.3 | 172.5 | -70.2 | 168.9 | 0 | 0 | 0 | 109.4 | L29 T35 R36 W41 H42 | L29-L39 HydrophobicContact CD1-CD1 4.48Å; L29-L39 HydrophobicContact CD2-CD1 3.91Å; T35-L39 PolarHBondContact O-N 2.96Å; R36-L39 PolarHBondContact O-N 2.96Å; L39-W41 PolarHBondContact O-N 2.97Å; L39-H42 PolarHBondContact O-N 3.13Å |
| 40 | P | 59.8 | Low | 62.7 | Low | 105 Ų | 105 | 100.9 Ų | 100.9 | 68% | 0.682 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -9.4 | -176.7 | 24.3 | -33.3 | 0 | 0 | 0 | 114.1 | | |
| 41 | W | 67.1 | Low | 61.5 | Low | 187 Ų | 187 | 97.6 Ų | 97.6 | 71% | 0.708 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -15.4 | 177.1 | -54.8 | 66.6 | 0 | 0 | 0 | 112.7 | L39 F44 I45 | L39-W41 PolarHBondContact O-N 2.97Å; W41-F44 PolarHBondContact O-N 3.23Å; W41-I45 WeakPolarHBondContact O-CG1 3.41Å; W41-I45 PolarHBondContact O-N 3.44Å |
| 42 | H | 57.8 | Low | 60 | Low | 34 Ų | 34 | 95.7 Ų | 95.7 | 16% | 0.157 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -64.9 | -51.7 | -178.6 | -151.6 | -86.9 | 0 | 0 | 0 | 111.3 | R36 L39 F44 I45 E46 | R36-H42 PolarHBondContact O-CD2 3.23Å; L39-H42 PolarHBondContact O-N 3.13Å; H42-F44 PolarHBondContact O-N 2.88Å; H42-I45 PolarHBondContact O-N 2.94Å; H42-E46 IonicContact CE1-OE1 3.07Å; H42-E46 PolarHBondContact CE1-OE1 3.36Å; H42-E46 IonicContact CE1-OE2 3.48Å; H42-E46 PolarHBondContact CE1-OE2 2.82Å; H42-E46 IonicContact CG-OE2 3.13Å; H42-E46 IonicContact ND1-OE1 3.39Å; H42-E46 IonicContact ND1-OE2 3.78Å; H42-E46 PolarHBondContact ND1-OE2 3.34Å; H42-E46 PolarHBondContact O-N 3.39Å |
| 43 | N | 58.4 | Low | 58.9 | Low | 114 Ų | 114 | 95.2 Ų | 95.2 | 61% | 0.61 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.3 | -32.4 | 176.2 | -59.1 | 5.9 | 0 | 0 | 0 | 112 | A47 | N43-A47 VanDerWaalsContact O-CB 3.26Å; N43-A47 WeakPolarHBondContact O-CB 3.37Å; N43-A47 PolarHBondContact O-N 2.87Å |
| 44 | F | 56.2 | Low | 58 | Low | 116 Ų | 116 | 96 Ų | 96 | 51% | 0.509 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.5 | -42.6 | 176.9 | -170.4 | -113.2 | 0 | 0 | 0 | 111.8 | W41 H42 E46 I48 | W41-F44 PolarHBondContact O-N 3.23Å; H42-F44 PolarHBondContact O-N 2.88Å; F44-E46 VanDerWaalsContact C-N 3.3Å; F44-E46 PolarHBondContact O-N 3.13Å; F44-I48 HydrophobicContact CD1-CD1 3.73Å; F44-I48 HydrophobicContact CD2-CD1 4.49Å; F44-I48 HydrophobicContact CE1-CD1 3.4Å; F44-I48 HydrophobicContact CE2-CD1 4.2Å; F44-I48 HydrophobicContact CG-CD1 4.28Å; F44-I48 HydrophobicContact CZ-CD1 3.66Å; F44-I48 WeakPolarHBondContact O-CB 3.48Å; F44-I48 VanDerWaalsContact O-CG1 3.28Å; F44-I48 WeakPolarHBondContact O-CG1 3.49Å; F44-I48 PolarHBondContact O-N 2.91Å |
| 45 | I | 58.9 | Low | 57.1 | Low | 93 Ų | 93 | 93.7 Ų | 93.7 | 48% | 0.477 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.8 | -33.4 | 175.2 | -69.5 | 165.6 | 0 | 0 | 0 | 111.5 | W41 H42 R49 | W41-I45 WeakPolarHBondContact O-CG1 3.41Å; W41-I45 PolarHBondContact O-N 3.44Å; H42-I45 PolarHBondContact O-N 2.94Å; I45-R49 PolarHBondContact O-N 3.43Å |
| 46 | E | 56.4 | Low | 56.4 | Low | 67 Ų | 67 | 93.6 Ų | 93.6 | 31% | 0.313 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -75.9 | -45 | 176.1 | -73 | 177.5 | 138.8 | 0 | 0 | 112 | H42 F44 I48 R49 D50 | H42-E46 IonicContact CE1-OE1 3.07Å; H42-E46 PolarHBondContact CE1-OE1 3.36Å; H42-E46 IonicContact CE1-OE2 3.48Å; H42-E46 PolarHBondContact CE1-OE2 2.82Å; H42-E46 IonicContact CG-OE2 3.13Å; H42-E46 IonicContact ND1-OE1 3.39Å; H42-E46 IonicContact ND1-OE2 3.78Å; H42-E46 PolarHBondContact ND1-OE2 3.34Å; H42-E46 PolarHBondContact O-N 3.39Å; F44-E46 VanDerWaalsContact C-N 3.3Å; F44-E46 PolarHBondContact O-N 3.13Å; E46-I48 VanDerWaalsContact C-N 3.26Å; E46-I48 PolarHBondContact O-N 3.01Å; E46-R49 WeakPolarHBondContact O-CA 3.25Å; E46-R49 WeakPolarHBondContact O-CB 3.42Å; E46-R49 PolarHBondContact O-N 2.81Å; E46-R49 IonicContact OE1-NH1 3.93Å; E46-D50 PolarHBondContact O-N 3.24Å |
| 47 | A | 56.3 | Low | 56 | Low | 53 Ų | 53 | 95.5 Ų | 95.5 | 44% | 0.438 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.4 | -36.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N43 T51 | N43-A47 VanDerWaalsContact O-CB 3.26Å; N43-A47 WeakPolarHBondContact O-CB 3.37Å; N43-A47 PolarHBondContact O-N 2.87Å; A47-T51 WeakPolarHBondContact O-CB 3.42Å; A47-T51 WeakPolarHBondContact O-CG2 3.28Å; A47-T51 PolarHBondContact O-N 3.44Å; A47-T51 PolarHBondContact O-OG1 3.41Å |
| 48 | I | 59.3 | Low | 55.2 | Low | 70 Ų | 70 | 95.2 Ų | 95.2 | 36% | 0.359 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.4 | -35.6 | 172.9 | -75.2 | 174.5 | 0 | 0 | 0 | 111.6 | F44 E46 T51 N52 | F44-I48 HydrophobicContact CD1-CD1 3.73Å; F44-I48 HydrophobicContact CD2-CD1 4.49Å; F44-I48 HydrophobicContact CE1-CD1 3.4Å; F44-I48 HydrophobicContact CE2-CD1 4.2Å; F44-I48 HydrophobicContact CG-CD1 4.28Å; F44-I48 HydrophobicContact CZ-CD1 3.66Å; F44-I48 WeakPolarHBondContact O-CB 3.48Å; F44-I48 VanDerWaalsContact O-CG1 3.28Å; F44-I48 WeakPolarHBondContact O-CG1 3.49Å; F44-I48 PolarHBondContact O-N 2.91Å; E46-I48 VanDerWaalsContact C-N 3.26Å; E46-I48 PolarHBondContact O-N 3.01Å; I48-T51 WeakPolarHBondContact CA-OG1 3.49Å; I48-T51 PolarHBondContact O-OG1 3.21Å; I48-N52 WeakPolarHBondContact O-CB 3.18Å; I48-N52 PolarHBondContact O-N 2.86Å; I48-N52 VanDerWaalsContact O-N 3.08Å; I48-N52 PolarHBondContact O-ND2 3.04Å |
| 49 | R | 56.5 | Low | 54.2 | Low | 133 Ų | 133 | 89.7 Ų | 89.7 | 50% | 0.502 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.4 | -47.2 | 176.1 | -168.8 | -172.1 | -57.1 | 132.9 | 9 | 111 | I45 E46 N52 A53 | I45-R49 PolarHBondContact O-N 3.43Å; E46-R49 WeakPolarHBondContact O-CA 3.25Å; E46-R49 WeakPolarHBondContact O-CB 3.42Å; E46-R49 PolarHBondContact O-N 2.81Å; E46-R49 IonicContact OE1-NH1 3.93Å; R49-N52 PolarHBondContact O-N 3.48Å; R49-A53 WeakPolarHBondContact O-CB 3.33Å; R49-A53 PolarHBondContact O-N 2.75Å |
| 50 | D | 56.7 | Low | 53.1 | Low | 100 Ų | 100 | 91.3 Ų | 91.3 | 54% | 0.535 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70 | -41.9 | -175.8 | -63.3 | -18.2 | 0 | 0 | 0 | 111.6 | E46 N52 A53 D54 | E46-D50 PolarHBondContact O-N 3.24Å; D50-N52 PolarHBondContact O-N 3.24Å; D50-A53 WeakPolarHBondContact O-CB 3.5Å; D50-A53 PolarHBondContact O-N 3.45Å; D50-D54 PolarHBondContact O-N 3.23Å |
| 51 | T | 56 | Low | 52.1 | Low | 75 Ų | 75 | 90.7 Ų | 90.7 | 46% | 0.46 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 173.3 | 49 | 0 | 0 | 0 | 0 | 112.4 | A47 I48 D54 I55 | A47-T51 WeakPolarHBondContact O-CB 3.42Å; A47-T51 WeakPolarHBondContact O-CG2 3.28Å; A47-T51 PolarHBondContact O-N 3.44Å; A47-T51 PolarHBondContact O-OG1 3.41Å; I48-T51 WeakPolarHBondContact CA-OG1 3.49Å; I48-T51 PolarHBondContact O-OG1 3.21Å; T51-D54 PolarHBondContact O-N 2.74Å; T51-I55 WeakPolarHBondContact O-CB 3.37Å; T51-I55 WeakPolarHBondContact O-CD1 3.28Å; T51-I55 WeakPolarHBondContact O-CG1 3.27Å; T51-I55 PolarHBondContact O-N 3.04Å |
| 52 | N | 50.3 | Low | 50.6 | Low | 91 Ų | 91 | 87 Ų | 87 | 49% | 0.487 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.3 | -33.5 | 173.8 | -81.7 | -75.9 | 0 | 0 | 0 | 112.8 | I48 R49 D50 I55 S56 | I48-N52 WeakPolarHBondContact O-CB 3.18Å; I48-N52 PolarHBondContact O-N 2.86Å; I48-N52 VanDerWaalsContact O-N 3.08Å; I48-N52 PolarHBondContact O-ND2 3.04Å; R49-N52 PolarHBondContact O-N 3.48Å; D50-N52 PolarHBondContact O-N 3.24Å; N52-I55 PolarHBondContact O-N 2.93Å; N52-S56 WeakPolarHBondContact O-CB 3.34Å; N52-S56 PolarHBondContact O-N 2.96Å |
| 53 | A | 52.4 | Low | 49.3 | Very low | 38 Ų | 38 | 95.1 Ų | 95.1 | 31% | 0.314 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -45 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R49 D50 S56 K57 | R49-A53 WeakPolarHBondContact O-CB 3.33Å; R49-A53 PolarHBondContact O-N 2.75Å; D50-A53 WeakPolarHBondContact O-CB 3.5Å; D50-A53 PolarHBondContact O-N 3.45Å; A53-S56 PolarHBondContact O-N 2.96Å; A53-S56 PolarHBondContact O-OG 3.18Å; A53-K57 WeakPolarHBondContact O-CG 3.49Å; A53-K57 PolarHBondContact O-N 3.04Å |
| 54 | D | 46.4 | Very low | 48.1 | Very low | 96 Ų | 96 | 96.5 Ų | 96.5 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.3 | -32.5 | 177 | -75.7 | -12.7 | 0 | 0 | 0 | 113.3 | D50 T51 S56 K57 S58 | D50-D54 PolarHBondContact O-N 3.23Å; T51-D54 PolarHBondContact O-N 2.74Å; D54-S56 VanDerWaalsContact C-N 3.31Å; D54-S56 PolarHBondContact O-N 3.28Å; D54-K57 PolarHBondContact O-N 2.93Å; D54-K57 IonicContact OD1-NZ 2.75Å; D54-K57 PolarHBondContact OD1-NZ 3Å; D54-S58 PolarHBondContact O-N 3.38Å |
| 55 | I | 50.5 | Low | 46.7 | Very low | 80 Ų | 80 | 96.3 Ų | 96.3 | 41% | 0.41 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.8 | -36 | 170.6 | -70.2 | 163.9 | 0 | 0 | 0 | 111.4 | T51 N52 S58 N59 | T51-I55 WeakPolarHBondContact O-CB 3.37Å; T51-I55 WeakPolarHBondContact O-CD1 3.28Å; T51-I55 WeakPolarHBondContact O-CG1 3.27Å; T51-I55 PolarHBondContact O-N 3.04Å; N52-I55 PolarHBondContact O-N 2.93Å; I55-S58 WeakPolarHBondContact CA-OG 3.42Å; I55-S58 PolarHBondContact O-N 3.42Å; I55-S58 PolarHBondContact O-OG 2.88Å; I55-N59 WeakPolarHBondContact CG2-ND2 3.31Å; I55-N59 WeakPolarHBondContact O-CB 3.25Å; I55-N59 PolarHBondContact O-N 3.05Å; I55-N59 PolarHBondContact O-ND2 3.48Å |
| 56 | S | 44.8 | Very low | 45.4 | Very low | 65 Ų | 65 | 97 Ų | 97 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 174.5 | 78.5 | 0 | 0 | 0 | 0 | 112 | N52 A53 D54 T60 | N52-S56 WeakPolarHBondContact O-CB 3.34Å; N52-S56 PolarHBondContact O-N 2.96Å; A53-S56 PolarHBondContact O-N 2.96Å; A53-S56 PolarHBondContact O-OG 3.18Å; D54-S56 VanDerWaalsContact C-N 3.31Å; D54-S56 PolarHBondContact O-N 3.28Å; S56-T60 WeakPolarHBondContact O-CB 3.47Å; S56-T60 PolarHBondContact O-N 3.48Å; S56-T60 VanDerWaalsContact O-N 3.17Å; S56-T60 PolarHBondContact O-OG1 3.32Å |
| 57 | K | 46.3 | Very low | 44 | Very low | 135 Ų | 135 | 103.1 Ų | 103.1 | 59% | 0.587 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.3 | -42.3 | 175.3 | -64 | 168.7 | -159.4 | 157.2 | 0 | 111.2 | A53 D54 | A53-K57 WeakPolarHBondContact O-CG 3.49Å; A53-K57 PolarHBondContact O-N 3.04Å; D54-K57 PolarHBondContact O-N 2.93Å; D54-K57 IonicContact OD1-NZ 2.75Å; D54-K57 PolarHBondContact OD1-NZ 3Å |
| 58 | S | 43.1 | Very low | 42.8 | Very low | 55 Ų | 55 | 105.3 Ų | 105.3 | 39% | 0.385 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.2 | -47 | 178.1 | 70.9 | 0 | 0 | 0 | 0 | 111.4 | D54 I55 T60 S61 | D54-S58 PolarHBondContact O-N 3.38Å; I55-S58 WeakPolarHBondContact CA-OG 3.42Å; I55-S58 PolarHBondContact O-N 3.42Å; I55-S58 PolarHBondContact O-OG 2.88Å; S58-T60 VanDerWaalsContact C-N 3.34Å; S58-T60 PolarHBondContact O-N 3.13Å; S58-S61 PolarHBondContact O-N 3.48Å; S58-S61 PolarHBondContact O-OG 3.4Å |
| 59 | N | 41.1 | Very low | 41.6 | Very low | 102 Ų | 102 | 108 Ų | 108 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.3 | -29.7 | -175.6 | -67.3 | -9.8 | 0 | 0 | 0 | 113 | I55 S61 V62 | I55-N59 WeakPolarHBondContact CG2-ND2 3.31Å; I55-N59 WeakPolarHBondContact O-CB 3.25Å; I55-N59 PolarHBondContact O-N 3.05Å; I55-N59 PolarHBondContact O-ND2 3.48Å; N59-S61 PolarHBondContact O-N 3.25Å; N59-V62 PolarHBondContact O-N 3.38Å |
| 60 | T | 41.5 | Very low | 40.4 | Very low | 109 Ų | 109 | 109 Ų | 109 | 67% | 0.669 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.3 | -22.4 | 176.8 | -54.7 | 0 | 0 | 0 | 0 | 112.7 | S56 S58 | S56-T60 WeakPolarHBondContact O-CB 3.47Å; S56-T60 PolarHBondContact O-N 3.48Å; S56-T60 VanDerWaalsContact O-N 3.17Å; S56-T60 PolarHBondContact O-OG1 3.32Å; S58-T60 VanDerWaalsContact C-N 3.34Å; S58-T60 PolarHBondContact O-N 3.13Å |
| 61 | S | 39.1 | Very low | 39 | Very low | 91 Ų | 91 | 108 Ų | 108 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -2.9 | 178.5 | 62.4 | 0 | 0 | 0 | 0 | 115.2 | S58 N59 | S58-S61 PolarHBondContact O-N 3.48Å; S58-S61 PolarHBondContact O-OG 3.4Å; N59-S61 PolarHBondContact O-N 3.25Å |
| 62 | V | 35.4 | Very low | 37.8 | Very low | 110 Ų | 110 | 111 Ų | 111 | 67% | 0.667 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -105.7 | -7.2 | -171.4 | 176.6 | 0 | 0 | 0 | 0 | 113.4 | N59 | N59-V62 PolarHBondContact O-N 3.38Š|
| 63 | Y | 30.5 | Very low | 36.9 | Very low | 205 Ų | 205 | 115.3 Ų | 115.3 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | | | trans | -124.4 | 26.7 | -173.7 | -115.1 | -88.3 | 0 | 0 | 0 | 116.5 | V65 | Y63-V65 PolarHBondContact O-N 3.47Š|
| 64 | I | 31.8 | Very low | 36 | Very low | 143 Ų | 143 | 121 Ų | 121 | 73% | 0.733 | 68% | 0.681 | S | S | * | * | | | trans | -87 | 95.6 | 164.2 | -56.8 | 178.9 | 0 | 0 | 0 | 108.5 | P66 | I64-P66 VanDerWaalsContact O-CD 3.23Å; I64-P66 WeakPolarHBondContact O-CD 3.41Å |
| 65 | V | 27.8 | Very low | 35.3 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 68% | 0.679 | 69% | 0.693 | S | S | * | * | | | trans | -77.3 | 111.8 | 171.8 | 177.6 | 0 | 0 | 0 | 0 | 108.9 | Y63 Q67 | Y63-V65 PolarHBondContact O-N 3.47Å; V65-Q67 PolarHBondContact O-N 3.17Å |
| 66 | P | 32.4 | Very low | 34.5 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 70% | 0.695 | 71% | 0.709 | S | S | * | * | | | trans | -81.2 | 109.1 | -178 | -6.2 | 25.3 | 0 | 0 | 0 | 109.6 | I64 S68 | I64-P66 VanDerWaalsContact O-CD 3.23Å; I64-P66 WeakPolarHBondContact O-CD 3.41Å; P66-S68 PolarHBondContact O-N 2.83Å |
| 67 | Q | 26.7 | Very low | 33.8 | Very low | 196 Ų | 196 | 128.8 Ų | 128.8 | 92% | 0.916 | 72% | 0.719 | S | S | * | * | | | trans | -71.5 | 79.5 | 163.4 | -76.3 | -169.3 | -15.2 | 0 | 0 | 109.6 | V65 | V65-Q67 PolarHBondContact O-N 3.17Š|
| 68 | S | 31 | Very low | 33.1 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | | | trans | -100.2 | 104.3 | 173 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | P66 N70 | P66-S68 PolarHBondContact O-N 2.83Å; S68-N70 PolarHBondContact O-N 2.86Å |
| 69 | T | 34.1 | Very low | 32.8 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | | | trans | -74.1 | 118.4 | 169.7 | 45.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 70 | N | 29.9 | Very low | 32.3 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 67.2 | 117.7 | 168.9 | -50.4 | -37.9 | 0 | 0 | 0 | 116.7 | S68 | S68-N70 PolarHBondContact O-N 2.86Š|
| 71 | G | 27.3 | Very low | 32.2 | Very low | 79 Ų | 79 | 139.8 Ų | 139.8 | 81% | 0.814 | 76% | 0.764 | S | S | * | * | | | trans | 132.7 | 5.1 | 138.7 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 72 | V | 31.7 | Very low | 32 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | | | trans | -128.7 | 122.6 | 174.4 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | L74 | V72-L74 PolarHBondContact O-N 3.23Š|
| 73 | Q | 30.4 | Very low | 32.2 | Very low | 182 Ų | 182 | 143.4 Ų | 143.4 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | | | trans | -74.8 | 116.9 | 169.9 | -70.1 | -175.8 | 0.4 | 0 | 0 | 110 | I75 | Q73-I75 PolarHBondContact O-N 2.7Å; Q73-I75 VanDerWaalsContact O-N 3.12Å |
| 74 | L | 34.6 | Very low | 32.3 | Very low | 158 Ų | 158 | 144.7 Ų | 144.7 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | | | trans | -75.6 | 101.2 | 173.6 | -148.6 | 86.7 | 0 | 0 | 0 | 109.7 | V72 Q76 | V72-L74 PolarHBondContact O-N 3.23Å; L74-Q76 PolarHBondContact O-N 3.36Å |
| 75 | I | 31.7 | Very low | 32.7 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | | | trans | -66 | 101.7 | 178 | -60.1 | 176.6 | 0 | 0 | 0 | 109.2 | Q73 S77 | Q73-I75 PolarHBondContact O-N 2.7Å; Q73-I75 VanDerWaalsContact O-N 3.12Å; I75-S77 PolarHBondContact O-N 2.91Å |
| 76 | Q | 32.7 | Very low | 33 | Very low | 160 Ų | 160 | 153.5 Ų | 153.5 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | trans | -69.9 | 75.8 | 172.9 | -70.4 | -168.3 | 1 | 0 | 0 | 111.1 | L74 K78 | L74-Q76 PolarHBondContact O-N 3.36Å; Q76-K78 PolarHBondContact O-N 3.13Å |
| 77 | S | 31.8 | Very low | 33.1 | Very low | 96 Ų | 96 | 153.8 Ų | 153.8 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | | | trans | -71 | 91.9 | 174.8 | 76.7 | 0 | 0 | 0 | 0 | 110.6 | I75 K79 | I75-S77 PolarHBondContact O-N 2.91Å; S77-K79 PolarHBondContact O-N 3.3Å |
| 78 | K | 31.5 | Very low | 33.6 | Very low | 188 Ų | 188 | 151.8 Ų | 151.8 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | | | trans | -66.9 | 75.6 | 174.6 | -72.1 | -179.3 | 177.2 | 175 | 0 | 111.3 | Q76 N80 | Q76-K78 PolarHBondContact O-N 3.13Å; K78-N80 PolarHBondContact O-N 3.39Å; K78-N80 VanDerWaalsContact O-N 3.12Å |
| 79 | K | 35 | Very low | 33.7 | Very low | 192 Ų | 192 | 158.2 Ų | 158.2 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | | | trans | -80 | 89 | 167.1 | -91.7 | -176.8 | 175.5 | 173.1 | 0 | 110.4 | S77 | S77-K79 PolarHBondContact O-N 3.3Š|
| 80 | N | 32.5 | Very low | 33.8 | Very low | 134 Ų | 134 | 161 Ų | 161 | 72% | 0.717 | 81% | 0.806 | S | S | * | * | | | trans | -48.4 | 129.5 | 163.5 | -101.9 | -40.6 | 0 | 0 | 0 | 110.2 | K78 T82 | K78-N80 PolarHBondContact O-N 3.39Å; K78-N80 VanDerWaalsContact O-N 3.12Å; N80-T82 PolarHBondContact O-N 3.29Å |
| 81 | P | 38.8 | Very low | 34 | Very low | 118 Ų | 118 | 160.5 Ų | 160.5 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | | | trans | -73.9 | 70.8 | 165.2 | 32 | -33.7 | 0 | 0 | 0 | 109 | L83 | P81-L83 PolarHBondContact O-N 3.41Š|
| 82 | T | 35.6 | Very low | 34.3 | Very low | 112 Ų | 112 | 162.6 Ų | 162.6 | 69% | 0.687 | 81% | 0.806 | S | S | * | * | | | trans | -64.2 | 101.2 | -180 | -56 | 0 | 0 | 0 | 0 | 109.3 | N80 R84 | N80-T82 PolarHBondContact O-N 3.29Å; T82-R84 PolarHBondContact O-N 3.22Å |
| 83 | L | 38 | Very low | 34.5 | Very low | 166 Ų | 166 | 162.6 Ų | 162.6 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | | | trans | -64 | 77.9 | 174.3 | -75.6 | 169.7 | 0 | 0 | 0 | 110.6 | P81 K85 | P81-L83 PolarHBondContact O-N 3.41Å; L83-K85 VanDerWaalsContact C-N 3.31Å; L83-K85 PolarHBondContact O-N 2.78Å |
| 84 | R | 34.3 | Very low | 34.4 | Very low | 231 Ų | 231 | 160.3 Ų | 160.3 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | | | trans | -69.5 | 87.9 | 178.7 | -172.2 | 178.5 | -175.3 | 178.9 | 2.8 | 109.2 | T82 R86 | T82-R84 PolarHBondContact O-N 3.22Å; R84-R86 PolarHBondContact O-N 3.08Å |
| 85 | K | 39 | Very low | 34.3 | Very low | 197 Ų | 197 | 160.7 Ų | 160.7 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | | | trans | -42.6 | 110.1 | 171.3 | -66.7 | -179.1 | 178.2 | 179.5 | 0 | 109.4 | L83 S87 | L83-K85 VanDerWaalsContact C-N 3.31Å; L83-K85 PolarHBondContact O-N 2.78Å; K85-S87 PolarHBondContact O-N 2.9Å |
| 86 | R | 35.1 | Very low | 34.2 | Very low | 243 Ų | 243 | 158.8 Ų | 158.8 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | | | trans | -63.2 | 123.5 | 168.4 | -90.3 | -176.2 | 168.4 | 176.1 | -3.4 | 107.2 | R84 I88 | R84-R86 PolarHBondContact O-N 3.08Å; R86-I88 PolarHBondContact O-N 3.37Å |
| 87 | S | 34.6 | Very low | 34.3 | Very low | 113 Ų | 113 | 156.1 Ų | 156.1 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | trans | -64.7 | 119.4 | 179.3 | -174.9 | 0 | 0 | 0 | 0 | 109.5 | K85 R89 | K85-S87 PolarHBondContact O-N 2.9Å; S87-R89 VanDerWaalsContact C-N 3.33Å; S87-R89 PolarHBondContact O-N 3.45Å |
| 88 | I | 36.9 | Very low | 34.4 | Very low | 155 Ų | 155 | 157.5 Ų | 157.5 | 80% | 0.795 | 81% | 0.81 | S | S | * | * | | | trans | -72.4 | 93.7 | 172.2 | -58.1 | 176.2 | 0 | 0 | 0 | 106.8 | R86 K90 | R86-I88 PolarHBondContact O-N 3.37Å; I88-K90 PolarHBondContact O-N 2.69Å |
| 89 | R | 33.4 | Very low | 34.5 | Very low | 233 Ų | 233 | 153.6 Ų | 153.6 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | | | trans | -66.3 | 101.7 | 176.2 | -167.9 | 179 | -164.6 | 174.4 | 5.4 | 108.3 | S87 T91 | S87-R89 VanDerWaalsContact C-N 3.33Å; S87-R89 PolarHBondContact O-N 3.45Å; R89-T91 PolarHBondContact O-N 3.04Å |
| 90 | K | 34.6 | Very low | 34.4 | Very low | 186 Ų | 186 | 153.6 Ų | 153.6 | 81% | 0.809 | 80% | 0.803 | S | S | * | * | | | trans | -51 | 124.8 | 177.8 | -65.2 | -176.6 | 178.6 | -177.3 | 0 | 109.9 | I88 T92 | I88-K90 PolarHBondContact O-N 2.69Å; K90-T92 PolarHBondContact O-N 2.9Å; K90-T92 VanDerWaalsContact O-N 3.15Å |
| 91 | T | 34 | Very low | 34.7 | Very low | 143 Ų | 143 | 152 Ų | 152 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | | | trans | -72.2 | 98.6 | 165.7 | 28 | 0 | 0 | 0 | 0 | 108.3 | R89 T93 | R89-T91 PolarHBondContact O-N 3.04Å; T91-T93 PolarHBondContact O-N 3.02Å |
| 92 | T | 34.4 | Very low | 34.8 | Very low | 124 Ų | 124 | 152 Ų | 152 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 127.3 | -175.9 | -40.7 | 0 | 0 | 0 | 0 | 111.2 | K90 | K90-T92 PolarHBondContact O-N 2.9Å; K90-T92 VanDerWaalsContact O-N 3.15Å |
| 93 | T | 35.4 | Very low | 35.1 | Very low | 136 Ų | 136 | 152.4 Ų | 152.4 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 132.1 | 167.5 | 32.6 | 0 | 0 | 0 | 0 | 110.7 | T91 | T91-T93 PolarHBondContact O-N 3.02Š|
| 94 | T | 28.6 | Very low | 35.2 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -100 | 122.3 | 173.5 | 34.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 95 | L | 33.1 | Very low | 35.4 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | -130.5 | 101.5 | 160 | -85.9 | 172.5 | 0 | 0 | 0 | 109.8 | | |
| 96 | S | 28.5 | Very low | 35.4 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | | | trans | 37.8 | 110.7 | 140.5 | -52 | 0 | 0 | 0 | 0 | 120 | | |
| 97 | S | 35.5 | Very low | 35.8 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | | -178.3 | 136.6 | 113.5 | 36 | 0 | 0 | 0 | 0 | 113.5 | | |
| 98 | T | 33.5 | Very low | 36 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | | | trans | 53.5 | 138.3 | 148.7 | 57.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 99 | T | 34.3 | Very low | 36.1 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | | | cis | -169.3 | 144.9 | -2.9 | 14 | 0 | 0 | 0 | 0 | 110.2 | | |
| 100 | K | 33.5 | Very low | 36.7 | Very low | 193 Ų | 193 | 132.8 Ų | 132.8 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | 62.4 | 146.3 | 150.6 | -61.8 | 169.2 | -176.4 | 178.2 | 0 | 117.9 | | |
| 101 | S | 37.5 | Very low | 37 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | | | cis | -171.2 | 131.2 | -11 | 46.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 102 | S | 40.8 | Very low | 37.4 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | | | trans | 64.9 | 154.4 | 139.4 | -50.3 | 0 | 0 | 0 | 0 | 123.2 | | |
| 103 | P | 43.2 | Very low | 37.5 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | trans | -139.2 | -151.3 | -152.7 | 44.1 | -22.7 | 0 | 0 | 0 | 116.4 | | |
| 104 | S | 39.1 | Very low | 37.9 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | | | trans | 100.6 | 149.2 | 166.3 | 79.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 105 | S | 38.2 | Very low | 38.5 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | | | cis | -170 | 169.7 | -14.1 | 49.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 106 | S | 39.1 | Very low | 38.7 | Very low | 112 Ų | 112 | 123 Ų | 123 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | | | trans | 80.6 | 156.3 | 160.9 | 85.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 107 | S | 43 | Very low | 38.9 | Very low | 92 Ų | 92 | 127.4 Ų | 127.4 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | | | cis | -171.5 | -179.3 | -26.7 | 60 | 0 | 0 | 0 | 0 | 112.4 | | |
| 108 | T | 39.2 | Very low | 38.8 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | | | trans | 73.9 | 159.4 | 169 | 66.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 109 | K | 40.1 | Very low | 38.7 | Very low | 193 Ų | 193 | 126 Ų | 126 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | | | cis | -176.6 | 146.1 | -46 | -132.5 | -177.2 | -176 | -175.8 | 0 | 109.2 | | |
| 110 | L | 44.4 | Very low | 38.7 | Very low | 180 Ų | 180 | 126.5 Ų | 126.5 | 94% | 0.942 | 76% | 0.756 | S | S | * | * | | | trans | 172.5 | 173.1 | 146.7 | -96.9 | 165.4 | 0 | 0 | 0 | 112.1 | | |
| 111 | S | 42.7 | Very low | 38.7 | Very low | 96 Ų | 96 | 121.7 Ų | 121.7 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | | | trans | -154 | -172 | -161.9 | 61 | 0 | 0 | 0 | 0 | 115.7 | | |
| 112 | D | 40.8 | Very low | 38.3 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | | | trans | 86.5 | 146.4 | 166.8 | -64.5 | 37.3 | 0 | 0 | 0 | 116.6 | | |
| 113 | K | 36.8 | Very low | 37.6 | Very low | 180 Ų | 180 | 123.7 Ų | 123.7 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | | | cis | -152.4 | 178.1 | -0.4 | -126.5 | 178.7 | -171.4 | 87 | 0 | 113 | | |
| 114 | S | 42.9 | Very low | 37 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | | | trans | -62 | 175.4 | -178.2 | 54.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 115 | S | 42.3 | Very low | 36.4 | Very low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | | | cis | -170.6 | 151.3 | 38.4 | 55.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 116 | S | 36.9 | Very low | 36 | Very low | 85 Ų | 85 | 129.7 Ų | 129.7 | 59% | 0.594 | 75% | 0.748 | S | S | * | * | | | trans | 50.3 | 120 | 138.6 | 62.1 | 0 | 0 | 0 | 0 | 122.5 | | |
| 117 | F | 33 | Very low | 35.3 | Very low | 201 Ų | 201 | 131 Ų | 131 | 88% | 0.882 | 75% | 0.745 | S | S | * | * | | | | 71.4 | 149.1 | 86.3 | -59.6 | -48.5 | 0 | 0 | 0 | 114.7 | | |
| 118 | S | 33.8 | Very low | 34.6 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | | | cis | -174 | -178.2 | -0.3 | -113.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 119 | S | 31.9 | Very low | 34 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | | | cis | 173.7 | 106.4 | -42.1 | 60 | 0 | 0 | 0 | 0 | 111 | | |
| 120 | S | 33.6 | Very low | 33.4 | Very low | 118 Ų | 118 | 130 Ų | 130 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | | | trans | -176.2 | 169.8 | 173.9 | 49.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 121 | S | 32.5 | Very low | 32.5 | Very low | 91 Ų | 91 | 129 Ų | 129 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | | | cis | -166.1 | 147.2 | -37.3 | -86.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 122 | H | 29.1 | Very low | 31.9 | Very low | 173 Ų | 173 | 129.5 Ų | 129.5 | 80% | 0.801 | 73% | 0.73 | S | S | * | * | | | trans | 63.9 | 144.9 | 168.2 | -50.9 | -53.8 | 0 | 0 | 0 | 118.5 | | |
| 123 | S | 27.6 | Very low | 31.5 | Very low | 88 Ų | 88 | 130.9 Ų | 130.9 | 62% | 0.615 | 74% | 0.742 | S | S | * | * | | | cis | 111.8 | 84.6 | -2.6 | 82.9 | 0 | 0 | 0 | 0 | 118.8 | | |
| 124 | F | 29.2 | Very low | 31.1 | Very low | 206 Ų | 206 | 128.3 Ų | 128.3 | 90% | 0.904 | 74% | 0.737 | S | S | * | * | | | trans | -142.4 | 149.9 | 145.8 | -69.2 | -77.7 | 0 | 0 | 0 | 107.8 | | |
| 125 | N | 26.6 | Very low | 30.5 | Very low | 158 Ų | 158 | 126.2 Ų | 126.2 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | | | cis | 91.1 | 72.4 | 31.5 | -101.3 | 47.4 | 0 | 0 | 0 | 116.4 | | |
| 126 | S | 29.9 | Very low | 29.9 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | | | trans | -164.9 | 146.2 | 144.9 | -125.2 | 0 | 0 | 0 | 0 | 105.2 | | |
| 127 | I | 25 | Very low | 29.7 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | | | cis | 68.6 | 146 | 33.3 | -38.3 | -178 | 0 | 0 | 0 | 111.3 | | |
| 128 | E | 27.6 | Very low | 29.5 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | trans | 75.1 | 139.3 | -168.8 | -76.5 | 54.4 | -111.3 | 0 | 0 | 117.8 | | |
| 129 | D | 26.9 | Very low | 29.3 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 63% | 0.631 | 75% | 0.754 | S | S | * | * | | | trans | 52.4 | 101.1 | 153.6 | -57.9 | -27.1 | 0 | 0 | 0 | 123 | | |
| 130 | C | 27.5 | Very low | 29.4 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 89% | 0.892 | 76% | 0.758 | S | S | * | * | | | trans | -119.4 | 31.5 | 133.7 | -78.4 | 0 | 0 | 0 | 0 | 111.9 | T132 | C130-T132 PolarHBondContact O-N 3.07Š|
| 131 | H | 26.7 | Very low | 29.2 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | trans | -73.6 | 68 | 160.1 | -103.1 | -79.6 | 0 | 0 | 0 | 109.2 | | |
| 132 | T | 30.1 | Very low | 29.1 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | | | trans | -152.7 | 44.4 | -174.3 | -13.9 | 0 | 0 | 0 | 0 | 114.7 | C130 | C130-T132 PolarHBondContact O-N 3.07Š|
| 133 | V | 30.7 | Very low | 29 | Very low | 147 Ų | 147 | 144 Ų | 144 | 89% | 0.891 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -104.9 | 1.8 | 150.1 | -161.9 | 0 | 0 | 0 | 0 | 111 | G135 | V133-G135 VanDerWaalsContact C-N 3.32Å; V133-G135 PolarHBondContact O-N 2.98Å |
| 134 | D | 29.1 | Very low | 29.1 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 76 | 165 | -87.5 | -62.1 | 0 | 0 | 0 | 111 | | |
| 135 | G | 30.3 | Very low | 29.2 | Very low | 63 Ų | 63 | 139 Ų | 139 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159.3 | -17.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | V133 | V133-G135 VanDerWaalsContact C-N 3.32Å; V133-G135 PolarHBondContact O-N 2.98Å |
| 136 | I | 30.9 | Very low | 29.3 | Very low | 165 Ų | 165 | 141.4 Ų | 141.4 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -119 | -6.9 | -172.3 | -56.6 | -179.3 | 0 | 0 | 0 | 112.8 | | |
| 137 | L | 32.2 | Very low | 29.2 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 90% | 0.895 | 76% | 0.755 | S | S | * | * | | | trans | -115.8 | 53.3 | 174.1 | -69.3 | 174.5 | 0 | 0 | 0 | 112.3 | | |
| 138 | K | 27.9 | Very low | 29.4 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | | | trans | -123.6 | 59 | 165.9 | -75.7 | -173.5 | 179 | 171.7 | 0 | 111.4 | | |
| 139 | N | 29.4 | Very low | 29.3 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -154 | 151.5 | 156.9 | -105.1 | -15.7 | 0 | 0 | 0 | 108.7 | | |
| 140 | E | 34.7 | Very low | 29.4 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | 55.1 | 91.8 | 172.6 | -60.2 | 178.9 | 170.3 | 0 | 0 | 114.8 | N142 | E140-N142 PolarHBondContact O-N 2.95Š|
| 141 | Q | 29.3 | Very low | 29.3 | Very low | 190 Ų | 190 | 143.9 Ų | 143.9 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | | | | 44 | 78.5 | 91 | -63.7 | -170.1 | -0.2 | 0 | 0 | 113.5 | | |
| 142 | N | 29.5 | Very low | 29.6 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | | | trans | -142.8 | 103.2 | 155.6 | -100.4 | -51.4 | 0 | 0 | 0 | 110.7 | E140 C144 | E140-N142 PolarHBondContact O-N 2.95Å; N142-C144 PolarHBondContact O-N 3.37Å; N142-C144 VanDerWaalsContact O-N 3.09Å |
| 143 | E | 28.9 | Very low | 29.5 | Very low | 174 Ų | 174 | 143.6 Ų | 143.6 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | trans | -78.2 | 83.6 | -179.9 | -178.6 | 171.9 | -166.7 | 0 | 0 | 110.2 | V145 | E143-V145 HydrophobicContact CG-CG2 3.72Å; E143-V145 PolarHBondContact O-N 3.36Å |
| 144 | C | 29 | Very low | 29.7 | Very low | 101 Ų | 101 | 146.3 Ų | 146.3 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | | | trans | -77.4 | 59.8 | 176.2 | -68.4 | 0 | 0 | 0 | 0 | 112.3 | N142 Y146 | N142-C144 PolarHBondContact O-N 3.37Å; N142-C144 VanDerWaalsContact O-N 3.09Å; C144-Y146 PolarHBondContact O-N 3.32Å |
| 145 | V | 32 | Very low | 29.7 | Very low | 88 Ų | 88 | 148.5 Ų | 148.5 | 53% | 0.533 | 79% | 0.786 | S | S | . | * | | | trans | -69.1 | 120.2 | 167.3 | 169.8 | 0 | 0 | 0 | 0 | 108.7 | E143 D147 | E143-V145 HydrophobicContact CG-CG2 3.72Å; E143-V145 PolarHBondContact O-N 3.36Å; V145-D147 PolarHBondContact O-N 3.39Å |
| 146 | Y | 27.6 | Very low | 29.8 | Very low | 210 Ų | 210 | 154.2 Ų | 154.2 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | | | trans | -79.3 | 67.6 | 178.8 | -86.8 | -97.1 | 0 | 0 | 0 | 111.6 | C144 T148 | C144-Y146 PolarHBondContact O-N 3.32Å; Y146-T148 VanDerWaalsContact C-N 3.25Å; Y146-T148 PolarHBondContact O-N 2.78Å |
| 147 | D | 26.9 | Very low | 29.7 | Very low | 138 Ų | 138 | 152.1 Ų | 152.1 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | | | trans | -73.3 | 79.2 | 171.8 | -90.7 | -11.8 | 0 | 0 | 0 | 111.1 | V145 N149 | V145-D147 PolarHBondContact O-N 3.39Å; D147-N149 PolarHBondContact O-N 3.34Å |
| 148 | T | 29.7 | Very low | 29.7 | Very low | 114 Ų | 114 | 151 Ų | 151 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | | | trans | -65.9 | 117.5 | 161.2 | 51.1 | 0 | 0 | 0 | 0 | 109.3 | Y146 | Y146-T148 VanDerWaalsContact C-N 3.25Å; Y146-T148 PolarHBondContact O-N 2.78Å |
| 149 | N | 26.3 | Very low | 29.8 | Very low | 151 Ų | 151 | 146.6 Ų | 146.6 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 84.6 | 73.9 | 177.3 | -44.7 | -76.5 | 0 | 0 | 0 | 116.9 | D147 | D147-N149 PolarHBondContact O-N 3.34Š|
| 150 | L | 28.7 | Very low | 29.7 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | -145.7 | 134.9 | 138.9 | -143.7 | 69.1 | 0 | 0 | 0 | 112.8 | | |
| 151 | C | 26.2 | Very low | 29.5 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | | | trans | -86.2 | 168.2 | 174 | -70.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 152 | S | 32.1 | Very low | 29.4 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | trans | 76.8 | 84.1 | 161.9 | -55.2 | 0 | 0 | 0 | 0 | 117.3 | K154 | S152-K154 PolarHBondContact O-N 3.48Š|
| 153 | V | 27.6 | Very low | 29.3 | Very low | 139 Ų | 139 | 143.4 Ų | 143.4 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | | | trans | -57.4 | 128.4 | 162.1 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 154 | K | 35 | Very low | 29.1 | Very low | 204 Ų | 204 | 142.1 Ų | 142.1 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | | | trans | -159.6 | 144.2 | 139.8 | -111.5 | 161.6 | -172.7 | 176.4 | 0 | 112.7 | S152 | S152-K154 PolarHBondContact O-N 3.48Š|
| 155 | Q | 29.6 | Very low | 29 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | trans | -67.5 | 167.5 | -177.9 | -58.6 | 164.1 | -6.2 | 0 | 0 | 110.7 | | |
| 156 | K | 32.8 | Very low | 28.6 | Very low | 184 Ų | 184 | 144.2 Ų | 144.2 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | | | cis | -167.9 | 141 | 34 | -157.4 | 172.9 | -171 | 178.3 | 0 | 111 | | |
| 157 | P | 27.4 | Very low | 28.5 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | trans | -87.3 | 157.4 | 175 | 35 | -34.5 | 0 | 0 | 0 | 113 | | |
| 158 | V | 33.1 | Very low | 28.7 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | | | trans | -132.6 | 138.7 | 162.9 | 178.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 159 | A | 29.2 | Very low | 28.6 | Very low | 83 Ų | 83 | 143.5 Ų | 143.5 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | | | trans | -110.6 | 166.3 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 160 | S | 27.4 | Very low | 28.9 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | 48 | 116.6 | 148.6 | 60.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 161 | E | 31.2 | Very low | 29.2 | Very low | 175 Ų | 175 | 143.9 Ų | 143.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | | -167 | 122 | 106.5 | -98.9 | 168.3 | -170.5 | 0 | 0 | 108 | | |
| 162 | Q | 27.6 | Very low | 29.4 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | | 72.2 | 124.9 | 84.6 | -72.7 | -156.6 | 20.4 | 0 | 0 | 116.4 | | |
| 163 | M | 26.2 | Very low | 29.6 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | | | trans | 73.4 | 140.5 | 142.4 | -76 | -166.3 | 171.9 | 0 | 0 | 123.2 | | |
| 164 | M | 26.1 | Very low | 29.8 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 73% | 0.729 | 78% | 0.778 | S | S | * | * | | | trans | 78.3 | 95.8 | 137 | -76.2 | 175.2 | -175.2 | 0 | 0 | 122.2 | | |
| 165 | T | 25.6 | Very low | 29.8 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 69% | 0.693 | 77% | 0.772 | S | S | * | * | | | | 54.6 | 122.6 | 116.3 | 57.4 | 0 | 0 | 0 | 0 | 122 | | |
| 166 | T | 24.9 | Very low | 30 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | trans | 68.8 | 131.9 | 137 | 54.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 167 | M | 24.3 | Very low | 30.1 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 84% | 0.837 | 76% | 0.758 | S | S | * | * | | | trans | 58.3 | 113.2 | 149 | -64.3 | 178.6 | -177.2 | 0 | 0 | 119.9 | | |
| 168 | T | 31.9 | Very low | 30.4 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | | | | -156 | 136 | 120.2 | -16 | 0 | 0 | 0 | 0 | 112.4 | | |
| 169 | D | 27.8 | Very low | 30.2 | Very low | 139 Ų | 139 | 135 Ų | 135 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | | | trans | -79.2 | 162.7 | 173.6 | -52.3 | -92.1 | 0 | 0 | 0 | 113.6 | | |
| 170 | K | 33.1 | Very low | 30.2 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | trans | -166.7 | 150.3 | 134.1 | -100.1 | 139.1 | -164.8 | 168.6 | 0 | 112.8 | | |
| 171 | N | 34.6 | Very low | 30.1 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | | | trans | 70.8 | 86.7 | -174.6 | -56.2 | -9.3 | 0 | 0 | 0 | 113.3 | | |
| 172 | I | 30.4 | Very low | 30 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | cis | 61.8 | 92.8 | 38.1 | -45 | 167.9 | 0 | 0 | 0 | 113.3 | | |
| 173 | V | 35.2 | Very low | 30.2 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 90% | 0.897 | 75% | 0.749 | S | S | * | * | | | | -141.7 | 144.6 | 115.2 | 172.2 | 0 | 0 | 0 | 0 | 106.4 | | |
| 174 | S | 31.8 | Very low | 30.3 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | | | trans | -120.2 | 162 | -174.6 | -167.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 175 | K | 36.5 | Very low | 30.6 | Very low | 176 Ų | 176 | 133.1 Ų | 133.1 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | | | trans | 154 | 115.1 | 145 | -82.3 | -147.4 | 166.5 | -161 | 0 | 110.1 | | |
| 176 | D | 33.7 | Very low | 30.9 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | | | | 77.4 | 127.2 | 87.9 | -58.9 | -13.8 | 0 | 0 | 0 | 111.2 | | |
| 177 | A | 33.9 | Very low | 31.3 | Very low | 77 Ų | 77 | 136.3 Ų | 136.3 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | cis | -162 | 172.5 | -6.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 178 | D | 34.2 | Very low | 31.6 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | | | trans | 64 | 160 | 150.7 | -66 | -26.8 | 0 | 0 | 0 | 121.1 | | |
| 179 | S | 29 | Very low | 31.8 | Very low | 88 Ų | 88 | 134.9 Ų | 134.9 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | | | cis | -167.1 | 150 | -34.6 | -167.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 180 | I | 28.4 | Very low | 32 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | | | trans | 46.8 | 116 | 154.8 | -67.3 | 164.2 | 0 | 0 | 0 | 120.1 | | |
| 181 | A | 26.2 | Very low | 32 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | | | trans | 22.2 | 143.1 | 143.4 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 182 | S | 29.4 | Very low | 32 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | | | | -177.2 | 137.7 | 114.9 | -162.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 183 | T | 31.4 | Very low | 32.1 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 68% | 0.681 | 75% | 0.745 | S | S | * | * | | | trans | 48.6 | 103.9 | 140.9 | -49.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 184 | I | 27.6 | Very low | 32.2 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 72% | 0.723 | 75% | 0.746 | S | S | * | * | | | | 26.5 | 113.1 | 120.5 | -44.6 | 162.7 | 0 | 0 | 0 | 117.2 | | |
| 185 | H | 32.6 | Very low | 32.3 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 78% | 0.778 | 76% | 0.755 | S | S | * | * | | | | -164.2 | 146.2 | 109.9 | -120.8 | -78.3 | 0 | 0 | 0 | 116.2 | | |
| 186 | E | 31.8 | Very low | 32.1 | Very low | 162 Ų | 162 | 125.7 Ų | 125.7 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | | | trans | -67.9 | 144.9 | 163.7 | 162 | -173.4 | -136.4 | 0 | 0 | 112.3 | | |
| 187 | V | 33.7 | Very low | 32.1 | Very low | 138 Ų | 138 | 124 Ų | 124 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | | | trans | -172.4 | 142.2 | 131.4 | 140.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 188 | A | 30.8 | Very low | 32 | Very low | 81 Ų | 81 | 126.1 Ų | 126.1 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | | | trans | -99 | 163.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 189 | K | 34.9 | Very low | 31.8 | Very low | 196 Ų | 196 | 125.3 Ų | 125.3 | 85% | 0.852 | 76% | 0.759 | S | S | * | * | | | | 176.4 | 157.4 | 118.1 | -95.6 | 163.3 | -173.6 | 177 | 0 | 114.4 | | |
| 190 | T | 32.8 | Very low | 32.1 | Very low | 128 Ų | 128 | 126 Ų | 126 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | trans | 10.7 | 141.5 | 149.7 | 60.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 191 | S | 33.9 | Very low | 32.3 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | | | cis | -168.5 | -159.8 | 1.8 | 48.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 192 | S | 34.2 | Very low | 32.7 | Very low | 96 Ų | 96 | 129.5 Ų | 129.5 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | | | cis | -161.5 | 174.3 | 12.8 | 55.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 193 | S | 32.5 | Very low | 32.9 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | | | trans | 40.5 | 110.5 | 151.7 | 55.4 | 0 | 0 | 0 | 0 | 122.8 | | |
| 194 | K | 37.7 | Very low | 33.1 | Very low | 211 Ų | 211 | 136.1 Ų | 136.1 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | | | | 58.5 | 83.6 | 129.3 | -61.6 | -177.6 | 177 | -179.3 | 0 | 119.8 | | |
| 195 | G | 33.3 | Very low | 33.3 | Very low | 85 Ų | 85 | 135.2 Ų | 135.2 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | | | | 79.5 | 118.4 | 97.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 196 | S | 31.7 | Very low | 33.5 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -152.5 | 146.5 | 144 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 197 | S | 33.8 | Very low | 33.6 | Very low | 90 Ų | 90 | 138 Ų | 138 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | | | trans | 45.5 | 125.1 | 147.2 | 59.5 | 0 | 0 | 0 | 0 | 123 | | |
| 198 | T | 31.6 | Very low | 33.8 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | trans | 68.9 | 96.6 | 134.6 | 55.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 199 | T | 30.9 | Very low | 33.9 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | | | | 49.3 | 107.3 | 124.3 | 56 | 0 | 0 | 0 | 0 | 120.8 | | |
| 200 | A | 34.6 | Very low | 34 | Very low | 104 Ų | 104 | 135.9 Ų | 135.9 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -136.3 | 141.4 | 142.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 201 | K | 32.8 | Very low | 34.2 | Very low | 216 Ų | 216 | 136.8 Ų | 136.8 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | | | trans | -89 | 127 | 178.9 | -66.2 | 176.2 | -179.7 | 175.4 | 0 | 110.4 | | |
| 202 | S | 35.7 | Very low | 34 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | trans | -160.2 | 117.5 | 154.6 | -161.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 203 | L | 33.1 | Very low | 33.9 | Very low | 182 Ų | 182 | 141.4 Ų | 141.4 | 95% | 0.953 | 80% | 0.799 | S | S | * | * | | | trans | -104.9 | 118.2 | 178.9 | -155.9 | 81.1 | 0 | 0 | 0 | 108.8 | | |
| 204 | K | 35 | Very low | 33.9 | Very low | 173 Ų | 173 | 144.2 Ų | 144.2 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -141.4 | 116.6 | -179.2 | -93.6 | -168 | 173.8 | -179.2 | 0 | 114.9 | | |
| 205 | T | 32.7 | Very low | 33.6 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | 73.8 | 158.3 | 138.2 | 65.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 206 | K | 36.8 | Very low | 33.3 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | | | trans | 86.2 | 112.3 | 175.7 | -55.5 | -177.3 | -178.8 | -177.6 | 0 | 113.7 | | |
| 207 | K | 33.1 | Very low | 33.2 | Very low | 195 Ų | 195 | 144.3 Ų | 144.3 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | | | cis | 77.4 | 87.7 | 18.5 | -163.6 | -169 | 176.1 | 177.7 | 0 | 116.7 | | |
| 208 | S | 37.6 | Very low | 33.2 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | trans | 171.8 | 154.7 | 147.4 | 49.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 209 | N | 33 | Very low | 33 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | | | cis | -150.5 | 162 | -31.2 | -132 | 31.5 | 0 | 0 | 0 | 107.5 | | |
| 210 | P | 37.8 | Very low | 33.1 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -88.3 | 159.5 | -178.5 | 35.7 | -34.6 | 0 | 0 | 0 | 113.4 | | |
| 211 | T | 36.6 | Very low | 33.1 | Very low | 147 Ų | 147 | 146.1 Ų | 146.1 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | | | trans | -135.5 | 149.9 | 165 | -32 | 0 | 0 | 0 | 0 | 109.6 | | |
| 212 | H | 29.8 | Very low | 32.8 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -110.5 | -179.3 | -170 | -164.7 | -109.7 | 0 | 0 | 0 | 110.6 | | |
| 213 | H | 31.8 | Very low | 32.8 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | | | trans | 73.5 | 150.2 | 174.1 | -63 | -90.2 | 0 | 0 | 0 | 117.6 | | |
| 214 | E | 32.9 | Very low | 32.7 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | cis | -170.6 | 132.9 | -17.8 | 172.9 | 167.8 | 177.5 | 0 | 0 | 113.4 | | |
| 215 | S | 30.3 | Very low | 33.1 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | 52.3 | 176 | 147.1 | -147.4 | 0 | 0 | 0 | 0 | 124.2 | | |
| 216 | C | 27.3 | Very low | 33.5 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 75% | 0.75 | 78% | 0.775 | S | S | * | * | | | trans | 74.5 | 76.2 | 157.2 | -69.4 | 0 | 0 | 0 | 0 | 122.4 | | |
| 217 | K | 29.9 | Very low | 33.4 | Very low | 192 Ų | 192 | 132 Ų | 132 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | | 41.4 | 112.2 | 106.4 | -172.9 | -175.1 | -179.4 | -178.6 | 0 | 119.9 | V219 | K217-V219 HydrophobicContact CG-CG2 4.29Š|
| 218 | A | 33.1 | Very low | 33.7 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | -138 | 136.6 | 144 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 219 | V | 27.5 | Very low | 33.7 | Very low | 117 Ų | 117 | 129 Ų | 129 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | | | cis | 77.2 | 114.5 | 34.6 | -175.2 | 0 | 0 | 0 | 0 | 113.2 | K217 | K217-V219 HydrophobicContact CG-CG2 4.29Š|
| 220 | V | 33.8 | Very low | 34 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | | | trans | 160 | 97 | 159.8 | 151.2 | 0 | 0 | 0 | 0 | 105.6 | | |
| 221 | E | 33.9 | Very low | 33.9 | Very low | 165 Ų | 165 | 128.3 Ų | 128.3 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | | | | 69.3 | 103.1 | 107.9 | -66.1 | 174.5 | 145.4 | 0 | 0 | 113.5 | | |
| 222 | S | 27.8 | Very low | 33.8 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | | | | 80 | 111.3 | 61.2 | 76 | 0 | 0 | 0 | 0 | 115.1 | | |
| 223 | S | 36.2 | Very low | 34.2 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | | | trans | -149.8 | 145.5 | 148 | 46.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 224 | S | 30 | Very low | 34.5 | Very low | 111 Ų | 111 | 122.8 Ų | 122.8 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | trans | -110.3 | 164.2 | -159.3 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 225 | P | 44.4 | Very low | 34.7 | Very low | 122 Ų | 122 | 121.5 Ų | 121.5 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | | | trans | -74.2 | 175.5 | 176 | 34.8 | -38.7 | 0 | 0 | 0 | 111.8 | | |
| 226 | P | 41.1 | Very low | 35.2 | Very low | 117 Ų | 117 | 122.1 Ų | 122.1 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | | | | -154.5 | -169.5 | 107.8 | 41.3 | -23.9 | 0 | 0 | 0 | 115.8 | | |
| 227 | S | 34.6 | Very low | 35.6 | Very low | 115 Ų | 115 | 126 Ų | 126 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | 78.4 | 143.1 | 168.7 | 85.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 228 | S | 38.3 | Very low | 35.9 | Very low | 102 Ų | 102 | 121.6 Ų | 121.6 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | cis | -157 | 166.1 | 8.9 | 52.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 229 | L | 38.2 | Very low | 36 | Very low | 142 Ų | 142 | 124.2 Ų | 124.2 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | | | cis | -170.3 | 149.5 | -17.9 | -105.1 | 171 | 0 | 0 | 0 | 108.7 | | |
| 230 | L | 38.1 | Very low | 36.4 | Very low | 148 Ų | 148 | 125.2 Ų | 125.2 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | | | trans | 65.6 | 152 | 155 | -55.4 | 159.7 | 0 | 0 | 0 | 118.5 | | |
| 231 | S | 36.8 | Very low | 36.4 | Very low | 94 Ų | 94 | 126 Ų | 126 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | | | cis | -167.9 | 157.7 | -15.7 | -104.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 232 | S | 34.9 | Very low | 36.5 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | | | trans | 57.4 | 128.6 | 156.2 | -75.3 | 0 | 0 | 0 | 0 | 121 | | |
| 233 | S | 37.3 | Very low | 37 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | | 84.1 | 142.8 | 61.9 | -156.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 234 | T | 38.9 | Very low | 37.1 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | | | cis | -154.4 | 144.8 | 20.5 | -34.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 235 | V | 37.4 | Very low | 37.5 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | | | trans | 33.7 | 139.6 | 150.1 | 177.9 | 0 | 0 | 0 | 0 | 123.2 | | |
| 236 | P | 39.8 | Very low | 37.1 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | | | trans | -109 | 168.5 | 171.1 | 41.8 | -34.1 | 0 | 0 | 0 | 115.4 | | |
| 237 | E | 37 | Very low | 37 | Very low | 194 Ų | 194 | 127.8 Ų | 127.8 | 91% | 0.907 | 75% | 0.749 | S | S | * | * | | | trans | -153.8 | -169.8 | 154.6 | -138 | 172.1 | -168.9 | 0 | 0 | 114 | | |
| 238 | S | 34.6 | Very low | 37.1 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | | | trans | -154.8 | -164 | -154.4 | 69.3 | 0 | 0 | 0 | 0 | 116 | | |
| 239 | L | 35 | Very low | 36.9 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | | | trans | 98.4 | 156.2 | 165.8 | -58.8 | 171.9 | 0 | 0 | 0 | 120.4 | | |
| 240 | N | 37.4 | Very low | 36.9 | Very low | 138 Ų | 138 | 126.6 Ų | 126.6 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | | | trans | 69.6 | 154.7 | 163 | -74.5 | -24.1 | 0 | 0 | 0 | 120.7 | | |
| 241 | N | 33 | Very low | 36.7 | Very low | 134 Ų | 134 | 125.8 Ų | 125.8 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | | | cis | -170.1 | 153.1 | -46.9 | -122.3 | -24 | 0 | 0 | 0 | 111.8 | | |
| 242 | S | 35.4 | Very low | 36.5 | Very low | 82 Ų | 82 | 126.3 Ų | 126.3 | 57% | 0.573 | 76% | 0.758 | S | S | * | * | | | trans | 29.7 | 111.6 | 143 | 174.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 243 | Y | 38.7 | Very low | 36.4 | Very low | 220 Ų | 220 | 127.1 Ų | 127.1 | 86% | 0.863 | 76% | 0.759 | S | S | * | * | | | trans | -155.9 | 152.7 | 137.3 | -79.3 | -80.3 | 0 | 0 | 0 | 110 | | |
| 244 | I | 38.2 | Very low | 36.1 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 65% | 0.646 | 76% | 0.761 | S | S | * | * | | | cis | -165 | 171.7 | -44.1 | -125.8 | 167.8 | 0 | 0 | 0 | 109.6 | | |
| 245 | S | 39.1 | Very low | 35.8 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | trans | 75.4 | 120 | 168.1 | -68.5 | 0 | 0 | 0 | 0 | 120.7 | | |
| 246 | T | 36 | Very low | 35.5 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | | | trans | -105.8 | -146.3 | 163.9 | 43.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 247 | P | 39.7 | Very low | 35.2 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | | | | -125.5 | 170.9 | -88.3 | 38.2 | -22.9 | 0 | 0 | 0 | 114.9 | | |
| 248 | V | 34.8 | Very low | 35 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | | | trans | -142.2 | 128.8 | 157.1 | -174.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 249 | P | 35.8 | Very low | 34.7 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | | | trans | -107.4 | 162 | 178.5 | 39.1 | -33.1 | 0 | 0 | 0 | 114.4 | | |
| 250 | G | 36.9 | Very low | 34.6 | Very low | 66 Ų | 66 | 130.2 Ų | 130.2 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | | | trans | -175.5 | 138.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 251 | T | 34.3 | Very low | 34.2 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | | | trans | 43.7 | 114.5 | 162.8 | 56.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 252 | S | 32.5 | Very low | 34.2 | Very low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | | 60.3 | 137.9 | 63.4 | 86.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 253 | V | 33.5 | Very low | 33.9 | Very low | 133 Ų | 133 | 128.7 Ų | 128.7 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | | | cis | -142.6 | 157.5 | 15.9 | -171.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 254 | T | 30.1 | Very low | 33.8 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | | | trans | -71.9 | 167.2 | 171.9 | -10.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 255 | P | 33.4 | Very low | 33.8 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | | | | -143.7 | 165.9 | 106.4 | 39.5 | -26.4 | 0 | 0 | 0 | 116.8 | | |
| 256 | Q | 30.9 | Very low | 33.4 | Very low | 185 Ų | 185 | 123.6 Ų | 123.6 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | | | trans | -40.6 | 146.9 | 171.2 | -60 | 151 | -32.4 | 0 | 0 | 116.4 | | |
| 257 | A | 33.2 | Very low | 33.2 | Very low | 90 Ų | 90 | 124 Ų | 124 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | | | | -167.3 | 142.4 | 102.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 258 | L | 32.1 | Very low | 32.8 | Very low | 171 Ų | 171 | 130.6 Ų | 130.6 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | | | trans | 56.5 | 93.2 | 161.5 | -76.9 | 150.2 | 0 | 0 | 0 | 118.7 | | |
| 259 | D | 28.1 | Very low | 32.8 | Very low | 148 Ų | 148 | 130 Ų | 130 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | -52.5 | 135.6 | 147.7 | -65.7 | -83.5 | 0 | 0 | 0 | 111.8 | | |
| 260 | T | 33.9 | Very low | 32.5 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | | | | -136 | 136.5 | 128.1 | 31.7 | 0 | 0 | 0 | 0 | 109.2 | G262 | T260-G262 PolarHBondContact O-N 3.19Š|
| 261 | T | 28.5 | Very low | 32.3 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | | | trans | -82.7 | 98.2 | -167.7 | -37.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 262 | G | 33.3 | Very low | 32 | Very low | 68 Ų | 68 | 130.5 Ų | 130.5 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | trans | -95.2 | 101.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T260 D264 | T260-G262 PolarHBondContact O-N 3.19Å; G262-D264 VanDerWaalsContact C-N 3.3Å; G262-D264 PolarHBondContact O-N 2.89Å; G262-D264 VanDerWaalsContact O-N 3.07Å |
| 263 | N | 28.5 | Very low | 32.2 | Very low | 118 Ų | 118 | 133 Ų | 133 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | | | trans | -83.9 | 67.3 | -178.9 | -164.4 | 114.5 | 0 | 0 | 0 | 111.4 | D265 | N263-D265 PolarHBondContact ND2-OD2 3.39Š|
| 264 | D | 37.3 | Very low | 32.1 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | | | trans | -98.6 | 78.6 | 166.6 | -74.7 | -36.4 | 0 | 0 | 0 | 109 | G262 G266 | G262-D264 VanDerWaalsContact C-N 3.3Å; G262-D264 PolarHBondContact O-N 2.89Å; G262-D264 VanDerWaalsContact O-N 3.07Å; D264-G266 PolarHBondContact O-N 3.07Å |
| 265 | D | 37.5 | Very low | 32.3 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | | | trans | -62.8 | 106.9 | 175.6 | -72.8 | -50.9 | 0 | 0 | 0 | 109.6 | N263 E267 | N263-D265 PolarHBondContact ND2-OD2 3.39Å; D265-E267 PolarHBondContact O-N 3.23Å |
| 266 | G | 30.3 | Very low | 32.3 | Very low | 71 Ų | 71 | 134.7 Ų | 134.7 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | | | trans | -72.3 | 49.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D264 W268 | D264-G266 PolarHBondContact O-N 3.07Å; G266-W268 VanDerWaalsContact C-N 3.3Å; G266-W268 PolarHBondContact O-N 3.49Å |
| 267 | E | 33.3 | Very low | 32.7 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | | | trans | -82.2 | 75.3 | 178.1 | -69.9 | -154.3 | -175.9 | 0 | 0 | 111.8 | D265 L269 | D265-E267 PolarHBondContact O-N 3.23Å; E267-L269 HydrophobicContact CB-CD1 4.47Å; E267-L269 HydrophobicContact CB-CG 4.16Å; E267-L269 PolarHBondContact O-N 3.13Å; E267-L269 WeakPolarHBondContact OE2-CD1 3.36Å |
| 268 | W | 31.5 | Very low | 32.8 | Very low | 248 Ų | 248 | 142.2 Ų | 142.2 | 94% | 0.939 | 77% | 0.767 | S | S | * | * | | | trans | -63.8 | 65.8 | 156.7 | -83 | 59.7 | 0 | 0 | 0 | 110.5 | G266 C270 | G266-W268 VanDerWaalsContact C-N 3.3Å; G266-W268 PolarHBondContact O-N 3.49Å; W268-C270 PolarHBondContact O-N 3Å |
| 269 | L | 34.7 | Very low | 33 | Very low | 133 Ų | 133 | 144.7 Ų | 144.7 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | | | trans | -92.3 | 98.3 | 175.8 | -71.4 | -173.4 | 0 | 0 | 0 | 110.8 | E267 A271 | E267-L269 HydrophobicContact CB-CD1 4.47Å; E267-L269 HydrophobicContact CB-CG 4.16Å; E267-L269 PolarHBondContact O-N 3.13Å; E267-L269 WeakPolarHBondContact OE2-CD1 3.36Å; L269-A271 PolarHBondContact O-N 3.29Å; L269-A271 VanDerWaalsContact O-N 3.1Å |
| 270 | C | 29.3 | Very low | 33.3 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | | | trans | -57.7 | 113.9 | 166 | -55.1 | 0 | 0 | 0 | 0 | 109.8 | W268 N272 | W268-C270 PolarHBondContact O-N 3Å; C270-N272 PolarHBondContact O-N 3.47Å |
| 271 | A | 32.2 | Very low | 33.4 | Very low | 99 Ų | 99 | 153.8 Ų | 153.8 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -67 | 79.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L269 I273 | L269-A271 PolarHBondContact O-N 3.29Å; L269-A271 VanDerWaalsContact O-N 3.1Å; A271-I273 VanDerWaalsContact C-N 3.35Å; A271-I273 PolarHBondContact O-N 3.03Å |
| 272 | N | 28.8 | Very low | 33.8 | Very low | 117 Ų | 117 | 153.7 Ų | 153.7 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | | | trans | -75 | 81 | -174 | -172.2 | -14.8 | 0 | 0 | 0 | 110.6 | C270 K274 | C270-N272 PolarHBondContact O-N 3.47Å; N272-K274 WeakPolarHBondContact O-CB 3.46Å; N272-K274 PolarHBondContact O-N 2.91Å; N272-K274 VanDerWaalsContact O-N 3.12Å |
| 273 | I | 35.9 | Very low | 34 | Very low | 157 Ų | 157 | 157.5 Ų | 157.5 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | | | trans | -68.3 | 106.4 | 168.3 | -62 | -177.6 | 0 | 0 | 0 | 107.7 | A271 | A271-I273 VanDerWaalsContact C-N 3.35Å; A271-I273 PolarHBondContact O-N 3.03Å |
| 274 | K | 31.3 | Very low | 34.6 | Very low | 162 Ų | 162 | 158.1 Ų | 158.1 | 70% | 0.704 | 77% | 0.774 | S | S | * | * | | | trans | -113.4 | 75.6 | -154.7 | -169 | -179.8 | -179.2 | 179.8 | 0 | 112.6 | N272 | N272-K274 WeakPolarHBondContact O-CB 3.46Å; N272-K274 PolarHBondContact O-N 2.91Å; N272-K274 VanDerWaalsContact O-N 3.12Å |
| 275 | T | 34.8 | Very low | 34.7 | Very low | 125 Ų | 125 | 158 Ų | 158 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | | | trans | -114.3 | 93.1 | 171.5 | 37.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 276 | V | 33.6 | Very low | 34.9 | Very low | 121 Ų | 121 | 161.1 Ų | 161.1 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | | | | 57.1 | 112 | 85.5 | 179.5 | 0 | 0 | 0 | 0 | 110 | | |
| 277 | R | 38.2 | Very low | 35.5 | Very low | 227 Ų | 227 | 164 Ų | 164 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | | | cis | -157 | 135.3 | 49.4 | -166.8 | 172.2 | 174 | 105.2 | -9.9 | 115.2 | | |
| 278 | R | 37 | Very low | 35.9 | Very low | 207 Ų | 207 | 165 Ų | 165 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | | | trans | -2.5 | 132.3 | 161.3 | -69.5 | 174.6 | 169.5 | 174.7 | -3.5 | 121.7 | | |
| 279 | R | 34.6 | Very low | 36.3 | Very low | 223 Ų | 223 | 161 Ų | 161 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | | | | 48.6 | 142.2 | 118.8 | -53.1 | 176.2 | -178.9 | 175.7 | -2 | 118.8 | | |
| 280 | R | 35.8 | Very low | 36.4 | Very low | 241 Ų | 241 | 163 Ų | 163 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | | | cis | -151.4 | 157.2 | 43.9 | -73.6 | 174.5 | 160.1 | 157.9 | -7.2 | 112.9 | | |
| 281 | R | 35.9 | Very low | 36.8 | Very low | 240 Ų | 240 | 165.6 Ų | 165.6 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | | | trans | -81.5 | 147.9 | 151.9 | -70.2 | 178.3 | 177.2 | 146.8 | -1.7 | 109.3 | | |
| 282 | N | 35.6 | Very low | 37.2 | Very low | 134 Ų | 134 | 170 Ų | 170 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | | | trans | -138.9 | 97 | 157.6 | -175.8 | 32.6 | 0 | 0 | 0 | 110 | | |
| 283 | N | 38.8 | Very low | 37.7 | Very low | 147 Ų | 147 | 168.9 Ų | 168.9 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | | | trans | -89.8 | 99.2 | 162.6 | -75.4 | 20.1 | 0 | 0 | 0 | 106.9 | | |
| 284 | N | 40.4 | Very low | 37.7 | Very low | 131 Ų | 131 | 167.5 Ų | 167.5 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | trans | -167.8 | 106.2 | 160.7 | -99.3 | -19.6 | 0 | 0 | 0 | 110 | | |
| 285 | N | 38.7 | Very low | 38 | Very low | 159 Ų | 159 | 167.5 Ų | 167.5 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | | | trans | -154.7 | 86.1 | 141.6 | -125.3 | 39.7 | 0 | 0 | 0 | 107.6 | | |
| 286 | K | 42.2 | Very low | 38.1 | Very low | 182 Ų | 182 | 168.2 Ų | 168.2 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | | | trans | -84.3 | 168.9 | 147.1 | -72.7 | -176.4 | 177.1 | -179.2 | 0 | 107.1 | | |
| 287 | D | 43.9 | Very low | 38.5 | Very low | 132 Ų | 132 | 170 Ų | 170 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | | | trans | 69 | 142.2 | -169.4 | -44.7 | -42.6 | 0 | 0 | 0 | 111.2 | | |
| 288 | I | 39.9 | Very low | 38.4 | Very low | 169 Ų | 169 | 166.1 Ų | 166.1 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | | | cis | -115.8 | 155.6 | 19.5 | -71.3 | 164.6 | 0 | 0 | 0 | 111.9 | | |
| 289 | K | 40.8 | Very low | 38.8 | Very low | 163 Ų | 163 | 163.8 Ų | 163.8 | 71% | 0.709 | 81% | 0.807 | S | S | * | * | | | trans | -86.2 | 159.1 | 178.1 | -60.4 | 173.3 | -176.5 | 171.3 | 0 | 111.9 | | |
| 290 | Q | 36 | Very low | 38.9 | Very low | 176 Ų | 176 | 160.1 Ų | 160.1 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | | | trans | 34.8 | 119 | 142.1 | -66.5 | 171 | -28.2 | 0 | 0 | 119 | | |
| 291 | L | 39.2 | Very low | 39.3 | Very low | 166 Ų | 166 | 154.6 Ų | 154.6 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | | -157.3 | 139.7 | 122.4 | -107.4 | 164.4 | 0 | 0 | 0 | 109.9 | | |
| 292 | M | 40 | Very low | 39.6 | Very low | 191 Ų | 191 | 150 Ų | 150 | 94% | 0.941 | 79% | 0.785 | S | S | * | * | | | trans | -122.9 | 106 | 173.8 | -92.5 | -174.6 | 162.2 | 0 | 0 | 108.9 | | |
| 293 | S | 38.9 | Very low | 40 | Very low | 94 Ų | 94 | 150.6 Ų | 150.6 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | | | trans | -175.5 | 108.4 | 160.4 | 48.8 | 0 | 0 | 0 | 0 | 105.2 | | |
| 294 | T | 36.8 | Very low | 40 | Very low | 127 Ų | 127 | 149.1 Ų | 149.1 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | | 56.9 | 91.5 | 82.3 | -50.2 | 0 | 0 | 0 | 0 | 111 | | |
| 295 | D | 37.7 | Very low | 39.8 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | | | trans | -137.3 | 133.7 | 139.6 | -107.1 | -37.2 | 0 | 0 | 0 | 107.8 | | |
| 296 | N | 36.2 | Very low | 39.9 | Very low | 141 Ų | 141 | 148.4 Ų | 148.4 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | | | trans | -92.7 | 137.6 | 171.3 | -66.4 | -31.9 | 0 | 0 | 0 | 107.7 | | |
| 297 | N | 41.4 | Very low | 39.5 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | | -158.9 | 153.8 | 129.2 | -106.3 | -17.6 | 0 | 0 | 0 | 111.5 | | |
| 298 | N | 37.6 | Very low | 39.2 | Very low | 146 Ų | 146 | 150.4 Ų | 150.4 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | | | trans | -74.8 | 135.5 | 164 | -56 | -23.9 | 0 | 0 | 0 | 107.8 | | |
| 299 | D | 43.9 | Very low | 38.9 | Very low | 157 Ų | 157 | 151.2 Ų | 151.2 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | | | trans | -127 | 109.8 | 150.8 | -90.5 | -49.7 | 0 | 0 | 0 | 107.2 | V301 | D299-V301 PolarHBondContact O-N 3.44Å; D299-V301 VanDerWaalsContact O-N 3.13Å |
| 300 | D | 37.2 | Very low | 38.4 | Very low | 146 Ų | 146 | 146 Ų | 146 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | | | trans | -67.1 | 104.3 | 174.8 | -86.7 | -61.5 | 0 | 0 | 0 | 109.9 | H302 | D300-H302 PolarHBondContact O-N 3.25Š|
| 301 | V | 44.6 | Very low | 38.4 | Very low | 125 Ų | 125 | 146 Ų | 146 | 76% | 0.758 | 78% | 0.781 | S | S | * | * | | | trans | -89.6 | 72.5 | 159.9 | -171.8 | 0 | 0 | 0 | 0 | 108.1 | D299 I303 | D299-V301 PolarHBondContact O-N 3.44Å; D299-V301 VanDerWaalsContact O-N 3.13Å; V301-I303 HydrophobicContact CG1-CG1 4.23Å; V301-I303 PolarHBondContact O-N 3.03Å |
| 302 | H | 42 | Very low | 38.1 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 66% | 0.662 | 78% | 0.777 | S | S | * | * | | | trans | -64.2 | 94.3 | 173.6 | -170.4 | -56.1 | 0 | 0 | 0 | 109.6 | D300 D304 | D300-H302 PolarHBondContact O-N 3.25Å; H302-D304 IonicContact CE1-OD1 3.39Å; H302-D304 PolarHBondContact CE1-OD1 3.28Å; H302-D304 IonicContact ND1-OD1 3.11Å; H302-D304 PolarHBondContact ND1-OD1 2.66Å; H302-D304 PolarHBondContact O-N 3.18Å |
| 303 | I | 43.4 | Very low | 37.9 | Very low | 148 Ų | 148 | 143 Ų | 143 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | trans | -83.7 | 112.1 | 169.5 | -60.4 | -179.8 | 0 | 0 | 0 | 107.1 | V301 D305 | V301-I303 HydrophobicContact CG1-CG1 4.23Å; V301-I303 PolarHBondContact O-N 3.03Å; I303-D305 PolarHBondContact O-N 2.78Å |
| 304 | D | 39.2 | Very low | 37.8 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 62% | 0.62 | 78% | 0.775 | S | S | * | * | | | trans | -61.8 | 116 | -174.4 | -90.1 | -44.9 | 0 | 0 | 0 | 113.4 | H302 T306 | H302-D304 IonicContact CE1-OD1 3.39Å; H302-D304 PolarHBondContact CE1-OD1 3.28Å; H302-D304 IonicContact ND1-OD1 3.11Å; H302-D304 PolarHBondContact ND1-OD1 2.66Å; H302-D304 PolarHBondContact O-N 3.18Å; D304-T306 PolarHBondContact O-N 2.74Å |
| 305 | D | 37 | Very low | 37.8 | Very low | 166 Ų | 166 | 145.4 Ų | 145.4 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | | | trans | -71 | 73 | 155.4 | -94.8 | -36.8 | 0 | 0 | 0 | 109.5 | I303 | I303-D305 PolarHBondContact O-N 2.78Š|
| 306 | T | 39.5 | Very low | 37.7 | Very low | 108 Ų | 108 | 146 Ų | 146 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | | | trans | -161.5 | 146.8 | 157.9 | 2.1 | 0 | 0 | 0 | 0 | 114 | D304 | D304-T306 PolarHBondContact O-N 2.74Š|
| 307 | K | 34.4 | Very low | 37.5 | Very low | 188 Ų | 188 | 144.5 Ų | 144.5 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | | | trans | 65.9 | 73.4 | 168.3 | -57.7 | 179.1 | -175.7 | 176.6 | 0 | 117 | | |
| 308 | L | 36.8 | Very low | 37.2 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | | | trans | -141.1 | 80.2 | 139.3 | -113.4 | 158.9 | 0 | 0 | 0 | 110.1 | | |
| 309 | E | 34.3 | Very low | 37.1 | Very low | 186 Ų | 186 | 146.3 Ų | 146.3 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | | | trans | -65.8 | 138 | 165.5 | -77.1 | 171.4 | 90.3 | 0 | 0 | 110.4 | | |
| 310 | G | 31.4 | Very low | 36.4 | Very low | 53 Ų | 53 | 147.1 Ų | 147.1 | 55% | 0.546 | 78% | 0.777 | S | S | . | * | | | trans | 70.7 | 119.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 311 | H | 35.5 | Very low | 36.2 | Very low | 177 Ų | 177 | 145.1 Ų | 145.1 | 82% | 0.819 | 77% | 0.774 | S | S | * | * | | | | -155.7 | 128.9 | 54.5 | -92.3 | -87.4 | 0 | 0 | 0 | 112.1 | L313 | H311-L313 PolarHBondContact O-N 3.31Š|
| 312 | V | 32 | Very low | 35.8 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | | | trans | -74.3 | 103.1 | 162.7 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | Q314 | V312-Q314 HydrophobicContact CG1-CG 4.05Å; V312-Q314 PolarHBondContact O-N 3.48Å |
| 313 | L | 36.7 | Very low | 35.3 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | trans | -84 | 87.6 | 165.9 | -70.4 | 178.1 | 0 | 0 | 0 | 109.4 | H311 | H311-L313 PolarHBondContact O-N 3.31Š|
| 314 | Q | 36.8 | Very low | 34.9 | Very low | 151 Ų | 151 | 145.6 Ų | 145.6 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 150.4 | 165.1 | -81.5 | 175.3 | -33.8 | 0 | 0 | 110.7 | V312 Q316 | V312-Q314 HydrophobicContact CG1-CG 4.05Å; V312-Q314 PolarHBondContact O-N 3.48Å; Q314-Q316 PolarHBondContact O-N 3.24Å |
| 315 | P | 36.5 | Very low | 34.6 | Very low | 122 Ų | 122 | 146.2 Ų | 146.2 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 120.6 | 159.5 | -10.8 | 26.2 | 0 | 0 | 0 | 108.4 | P317 | P315-P317 WeakPolarHBondContact O-CD 3.44Š|
| 316 | Q | 34.7 | Very low | 34.5 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 127.1 | -178.8 | -71.1 | -177 | -7.7 | 0 | 0 | 111.9 | Q314 | Q314-Q316 PolarHBondContact O-N 3.24Š|
| 317 | P | 32 | Very low | 34.3 | Very low | 109 Ų | 109 | 147 Ų | 147 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 137.3 | 144.1 | 33.2 | -29.3 | 0 | 0 | 0 | 108.8 | P315 E319 | P315-P317 WeakPolarHBondContact O-CD 3.44Å; P317-E319 PolarHBondContact O-N 3.11Å |
| 318 | I | 35.5 | Very low | 34.4 | Very low | 162 Ų | 162 | 146.4 Ų | 146.4 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | | | trans | -88.5 | 104.3 | 174.7 | -60.6 | 174.5 | 0 | 0 | 0 | 108.1 | | |
| 319 | E | 34.9 | Very low | 34.2 | Very low | 180 Ų | 180 | 145.6 Ų | 145.6 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | | | trans | -90.5 | 156.8 | 169.8 | -72.9 | -155.7 | 148.9 | 0 | 0 | 112.7 | P317 | P317-E319 PolarHBondContact O-N 3.11Š|
| 320 | L | 30.8 | Very low | 34.2 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | | | trans | -88.6 | 124.1 | -178.3 | -67.6 | 146.9 | 0 | 0 | 0 | 111.3 | | |
| 321 | S | 33.3 | Very low | 34.4 | Very low | 103 Ų | 103 | 147.5 Ų | 147.5 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | | | trans | -165.8 | 139.8 | 144.5 | -144.3 | 0 | 0 | 0 | 0 | 114.2 | V323 | S321-V323 WeakPolarHBondContact OG-CG2 3.38Š|
| 322 | S | 35.6 | Very low | 34.3 | Very low | 132 Ų | 132 | 146.9 Ų | 146.9 | 92% | 0.923 | 80% | 0.802 | S | S | * | * | | | trans | -143.7 | 129.6 | 156.8 | -84.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 323 | V | 31.8 | Very low | 34.4 | Very low | 106 Ų | 106 | 149.4 Ų | 149.4 | 64% | 0.642 | 80% | 0.803 | S | S | * | * | | | trans | -128.2 | 132.5 | -157.9 | 167.4 | 0 | 0 | 0 | 0 | 112.5 | S321 V325 | S321-V323 WeakPolarHBondContact OG-CG2 3.38Å; V323-V325 HydrophobicContact CG1-CG2 3.63Å |
| 324 | M | 34.8 | Very low | 34.5 | Very low | 189 Ų | 189 | 147.3 Ų | 147.3 | 93% | 0.931 | 80% | 0.802 | S | S | * | * | | | trans | -152.2 | 112.4 | 148.6 | -67 | -162.5 | -66.9 | 0 | 0 | 106.7 | | |
| 325 | V | 31.8 | Very low | 34.3 | Very low | 128 Ų | 128 | 147.4 Ų | 147.4 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | | | | 78 | 98.5 | 54.4 | 178.9 | 0 | 0 | 0 | 0 | 114 | V323 | V323-V325 HydrophobicContact CG1-CG2 3.63Š|
| 326 | A | 35.2 | Very low | 34.4 | Very low | 95 Ų | 95 | 147.5 Ų | 147.5 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | 164.4 | 147.9 | 142.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 327 | E | 36.3 | Very low | 34.3 | Very low | 197 Ų | 197 | 144.7 Ų | 144.7 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | | | cis | -149.7 | 179.6 | -34.4 | -172.3 | 157.4 | -177.1 | 0 | 0 | 108.2 | | |
| 328 | K | 35.3 | Very low | 34.6 | Very low | 175 Ų | 175 | 147.5 Ų | 147.5 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | | | trans | -85.3 | 156.8 | -166.7 | -88.3 | 178.1 | 175.8 | 171.3 | 0 | 116.6 | | |
| 329 | N | 32.8 | Very low | 34.6 | Very low | 152 Ų | 152 | 145.3 Ų | 145.3 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | | | trans | 67.1 | 142.1 | 153.8 | -59.2 | -6.7 | 0 | 0 | 0 | 116.1 | | |
| 330 | S | 35.3 | Very low | 34.8 | Very low | 118 Ų | 118 | 144 Ų | 144 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | cis | -153 | -167.8 | 48.1 | -162.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 331 | Q | 34.3 | Very low | 34.9 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | -98.3 | 179.3 | -166.4 | -63 | 174.8 | -46.4 | 0 | 0 | 115 | | |
| 332 | H | 35 | Very low | 35 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | 82.1 | 117.1 | 172.7 | -57.8 | -94.3 | 0 | 0 | 0 | 115.7 | | |
| 333 | K | 33.1 | Very low | 35.1 | Very low | 183 Ų | 183 | 141.6 Ų | 141.6 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | | | cis | 82.6 | 96.9 | 33.3 | -168.6 | -171.2 | -179.2 | -179.8 | 0 | 113.9 | | |
| 334 | S | 39.5 | Very low | 35.1 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | -170.6 | 154 | 134.1 | -82.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 335 | N | 32.8 | Very low | 35.1 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | trans | -75.7 | 163.4 | -170.5 | -40.3 | -24 | 0 | 0 | 0 | 113.8 | | |
| 336 | S | 37 | Very low | 35 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | | | | -155.3 | 163.7 | 121.2 | -158.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 337 | T | 32.5 | Very low | 34.8 | Very low | 115 Ų | 115 | 149.5 Ų | 149.5 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | trans | -121.9 | 146.9 | -166.1 | -50.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 338 | H | 38.3 | Very low | 34.4 | Very low | 169 Ų | 169 | 145.9 Ų | 145.9 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | | | trans | 151.2 | 142.7 | 153.1 | -92.6 | -76.3 | 0 | 0 | 0 | 108.7 | | |
| 339 | D | 36.4 | Very low | 34.2 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | | | cis | -170.3 | 165.7 | -16.3 | -149.5 | -11.6 | 0 | 0 | 0 | 110.6 | | |
| 340 | I | 38.4 | Very low | 34.1 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | | | trans | 46.8 | 145.6 | 164.4 | 19.7 | 175.9 | 0 | 0 | 0 | 119.2 | | |
| 341 | S | 33.5 | Very low | 33.9 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | cis | -146.1 | 144.7 | 7.8 | -174.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 342 | S | 35.8 | Very low | 33.6 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | | | trans | -78 | 157.9 | 167.9 | 51.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 343 | N | 37.4 | Very low | 33.3 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | | | | -158.3 | 131.1 | 129.2 | -120.6 | -29.9 | 0 | 0 | 0 | 110.6 | | |
| 344 | D | 32.7 | Very low | 33.2 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | | | trans | -76.9 | 157.4 | -178 | -56.7 | -84 | 0 | 0 | 0 | 112.8 | | |
| 345 | K | 34.7 | Very low | 33 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 78% | 0.778 | 76% | 0.757 | S | S | * | * | | | | -173.1 | 115.9 | 110.2 | -97.6 | 153.9 | -168.6 | 175 | 0 | 113 | Y347 | K345-Y347 HydrophobicContact CB-CD2 4.22Å; K345-Y347 HydrophobicContact CD-CD2 4.35Å; K345-Y347 HydrophobicContact CD-CE2 4.3Å; K345-Y347 HydrophobicContact CG-CD2 4.01Å; K345-Y347 HydrophobicContact CG-CE2 4.06Å |
| 346 | Q | 28.5 | Very low | 33 | Very low | 189 Ų | 189 | 138.4 Ų | 138.4 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | | | trans | -65.4 | 130 | 144.5 | -68.9 | 178.4 | -35.7 | 0 | 0 | 108.3 | | |
| 347 | Y | 30.9 | Very low | 33 | Very low | 182 Ų | 182 | 138 Ų | 138 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | | | trans | -145.9 | 113.6 | 151.2 | -96.1 | -75.2 | 0 | 0 | 0 | 109.4 | K345 M349 | K345-Y347 HydrophobicContact CB-CD2 4.22Å; K345-Y347 HydrophobicContact CD-CD2 4.35Å; K345-Y347 HydrophobicContact CD-CE2 4.3Å; K345-Y347 HydrophobicContact CG-CD2 4.01Å; K345-Y347 HydrophobicContact CG-CE2 4.06Å; Y347-M349 HydrophobicContact CD1-CE 4.14Å; Y347-M349 HydrophobicContact CE1-CE 4.46Å |
| 348 | S | 28.4 | Very low | 33.2 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | | | trans | -78.4 | 124.9 | 156.3 | -64.4 | 0 | 0 | 0 | 0 | 107.5 | | |
| 349 | M | 31.8 | Very low | 33.2 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | -148.5 | 149.3 | 160.1 | -144.5 | 164 | -70.7 | 0 | 0 | 111.1 | Y347 | Y347-M349 HydrophobicContact CD1-CE 4.14Å; Y347-M349 HydrophobicContact CE1-CE 4.46Å |
| 350 | T | 30.7 | Very low | 33.2 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | | | trans | -96.7 | 138.9 | -170.8 | -50.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 351 | G | 29.8 | Very low | 33.1 | Very low | 58 Ų | 58 | 139.5 Ų | 139.5 | 60% | 0.598 | 75% | 0.752 | S | S | * | * | | | trans | 93 | 153.3 | 151.4 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 352 | Q | 28.1 | Very low | 33.2 | Very low | 164 Ų | 164 | 140 Ų | 140 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | | | trans | 62.4 | 129.5 | 153.1 | -95 | 39.3 | 47.2 | 0 | 0 | 122.1 | | |
| 353 | D | 28.8 | Very low | 33.3 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | | | trans | 73 | 107.4 | 142.4 | -53.5 | -14.7 | 0 | 0 | 0 | 119 | | |
| 354 | I | 30.7 | Very low | 33.1 | Very low | 143 Ų | 143 | 143 Ų | 143 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | | | | 76.2 | 152.2 | 81.9 | -58.8 | 155.6 | 0 | 0 | 0 | 112.6 | | |
| 355 | I | 35 | Very low | 33 | Very low | 140 Ų | 140 | 142.3 Ų | 142.3 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | | | trans | 112.8 | 84.8 | 162.4 | -53.7 | -174.7 | 0 | 0 | 0 | 116.2 | | |
| 356 | N | 33.4 | Very low | 32.7 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | | | | 54.8 | 123.1 | 123.7 | -52.5 | -13.7 | 0 | 0 | 0 | 122 | | |
| 357 | S | 37.3 | Very low | 32.8 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | | | | -173.6 | 141.7 | 110.8 | 26.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 358 | K | 37.2 | Very low | 32.8 | Very low | 183 Ų | 183 | 133 Ų | 133 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | | | cis | -167.7 | 142.9 | -13.8 | -134.4 | -179.8 | -176.7 | -179.1 | 0 | 109.8 | | |
| 359 | T | 37 | Very low | 32.9 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | | | trans | 46.8 | 131 | 147.6 | 45.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 360 | N | 37.2 | Very low | 32.8 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | cis | -136.5 | 143.5 | 29.5 | -89.2 | -11.9 | 0 | 0 | 0 | 110.3 | | |
| 361 | E | 35.6 | Very low | 32.6 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | | | | 57.9 | 132.9 | 81.9 | -66.2 | -162 | 173.6 | 0 | 0 | 114.5 | | |
| 362 | N | 36 | Very low | 32.5 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | | | cis | -162.3 | 153.5 | 3 | -121.5 | -31.8 | 0 | 0 | 0 | 112 | | |
| 363 | L | 38.6 | Very low | 32.4 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | | | trans | 62.8 | 147.3 | 167.8 | -51.4 | 163.8 | 0 | 0 | 0 | 116.7 | | |
| 364 | E | 33.5 | Very low | 32.4 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | | | cis | -148.7 | 156.1 | -16.2 | -121.3 | 178.1 | 155.2 | 0 | 0 | 107.7 | | |
| 365 | P | 30.1 | Very low | 32.1 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | | | trans | -96.8 | 142.4 | -170.1 | 36 | -31.2 | 0 | 0 | 0 | 113.6 | | |
| 366 | D | 27.8 | Very low | 31.8 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | | | trans | -152 | 154.3 | 154.5 | -150.3 | -13.8 | 0 | 0 | 0 | 112.5 | | |
| 367 | S | 30.5 | Very low | 31.4 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | | | trans | 41.9 | 99.8 | 162.9 | -169.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 368 | S | 30.8 | Very low | 31 | Very low | 94 Ų | 94 | 142.4 Ų | 142.4 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | | | | 169.8 | 160.7 | 98.6 | 51.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 369 | H | 31.4 | Very low | 30.4 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | trans | 12.8 | 135.3 | 163.4 | -39.5 | -52.9 | 0 | 0 | 0 | 119.4 | | |
| 370 | Q | 29.4 | Very low | 30.1 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | | | cis | -165.7 | 147.6 | 30.1 | -165.3 | 162.5 | -2.8 | 0 | 0 | 110.2 | | |
| 371 | C | 27.3 | Very low | 29.6 | Very low | 130 Ų | 130 | 138 Ų | 138 | 88% | 0.878 | 77% | 0.774 | S | S | * | * | | | trans | -78.4 | 151.4 | -177.8 | -157.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 372 | V | 26.5 | Very low | 29.4 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | | | trans | -107.5 | 123.9 | -173.2 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 373 | V | 26.9 | Very low | 28.9 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | | | trans | 43.1 | 97.4 | 158.3 | -175.8 | 0 | 0 | 0 | 0 | 116.6 | | |
| 374 | E | 27.1 | Very low | 28.7 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | -93.6 | 112.8 | 161.9 | -173 | 171 | -166.8 | 0 | 0 | 111.1 | C376 | E374-C376 HydrophobicContact CG-CB 4.46Š|
| 375 | C | 24.5 | Very low | 28.4 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | -105 | 98.4 | 171.4 | -72.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 376 | C | 29.3 | Very low | 28.7 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 72% | 0.716 | 78% | 0.783 | S | S | * | * | | | trans | -133.9 | 74.8 | 178.4 | -96.9 | 0 | 0 | 0 | 0 | 114.4 | E374 K378 | E374-C376 HydrophobicContact CG-CB 4.46Å; C376-K378 PolarHBondContact O-N 2.87Å |
| 377 | N | 25.8 | Very low | 28.8 | Very low | 170 Ų | 170 | 141 Ų | 141 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | trans | -83.5 | 96.6 | 155 | -95.2 | -30 | 0 | 0 | 0 | 109.2 | | |
| 378 | K | 28.9 | Very low | 28.8 | Very low | 202 Ų | 202 | 140.1 Ų | 140.1 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | | | trans | -160.4 | 133.2 | 162.7 | -117.8 | 163.8 | -171.7 | 175.8 | 0 | 114.5 | C376 | C376-K378 PolarHBondContact O-N 2.87Š|
| 379 | T | 23.7 | Very low | 28.8 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | | | trans | -93.2 | 119.4 | 174.8 | 48.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 380 | S | 31.2 | Very low | 28.7 | Very low | 93 Ų | 93 | 139.4 Ų | 139.4 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | | | trans | -162.4 | 128.4 | 157.4 | -160.2 | 0 | 0 | 0 | 0 | 105.3 | | |
| 381 | S | 26.7 | Very low | 28.7 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | | | cis | 62.1 | 143.9 | 45.1 | 83.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 382 | I | 30.9 | Very low | 28.7 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 73% | 0.728 | 77% | 0.768 | S | S | * | * | | | trans | 79.1 | 98.1 | -164.1 | -51.3 | 163.4 | 0 | 0 | 0 | 110.2 | | |
| 383 | I | 26.8 | Very low | 28.8 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | | 73.9 | 109.7 | 61.9 | -59.2 | 160.5 | 0 | 0 | 0 | 112.2 | | |
| 384 | E | 33 | Very low | 29 | Very low | 172 Ų | 172 | 142 Ų | 142 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | | -155.5 | 136.7 | 120.3 | -147.4 | 158.9 | -145.3 | 0 | 0 | 111.9 | | |
| 385 | N | 27.3 | Very low | 29.3 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | | | trans | -93.8 | 128.7 | 168.2 | -86.6 | -5.9 | 0 | 0 | 0 | 108.2 | | |
| 386 | I | 36.4 | Very low | 29.7 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | | | trans | -132.8 | 73.2 | 156.4 | -49.7 | -178.9 | 0 | 0 | 0 | 108.9 | | |
| 387 | D | 30 | Very low | 30 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | | | trans | -99.2 | 92.7 | 160.8 | -176 | 13.2 | 0 | 0 | 0 | 107.7 | | |
| 388 | S | 30.1 | Very low | 30.6 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 55% | 0.552 | 75% | 0.75 | S | S | * | * | | | trans | -154.6 | 110.1 | -177.3 | 65 | 0 | 0 | 0 | 0 | 114.7 | | |
| 389 | S | 30.9 | Very low | 30.8 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | | | | 76.9 | 127.5 | 126.5 | -64.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 390 | L | 30.1 | Very low | 31.4 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 81% | 0.806 | 73% | 0.73 | S | S | * | * | | | trans | 66 | 121.5 | 157.7 | -77 | 77.5 | 0 | 0 | 0 | 116.9 | | |
| 391 | K | 28.3 | Very low | 31.6 | Very low | 178 Ų | 178 | 138 Ų | 138 | 77% | 0.774 | 74% | 0.736 | S | S | * | * | | | cis | 72 | 98 | 44.6 | -167.1 | -168.1 | -173.7 | 173.4 | 0 | 112.8 | | |
| 392 | K | 28.9 | Very low | 31.9 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | | | trans | 138.9 | 130.3 | 140.7 | -77.4 | -154.3 | -167.8 | 179.2 | 0 | 114.5 | | |
| 393 | Q | 28.8 | Very low | 32.2 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | | | trans | 74.6 | 135.9 | 137.8 | -69.3 | 177.4 | -87 | 0 | 0 | 122.3 | | |
| 394 | S | 29.9 | Very low | 32.7 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | | | trans | 68.1 | 154.9 | 149.6 | 78.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 395 | S | 33.3 | Very low | 32.6 | Very low | 89 Ų | 89 | 134.9 Ų | 134.9 | 62% | 0.622 | 74% | 0.738 | S | S | * | * | | | cis | -157.8 | 133.6 | 6.5 | -7.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 396 | T | 33.1 | Very low | 33 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | | | trans | 60.3 | 160.2 | 145.3 | -0.1 | 0 | 0 | 0 | 0 | 116.2 | | |
| 397 | E | 35.2 | Very low | 32.7 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | | | cis | -141.3 | 154 | 16.4 | -75.2 | -164.6 | 157.5 | 0 | 0 | 113.4 | | |
| 398 | H | 38.2 | Very low | 32.7 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | | | trans | 47.8 | 134 | 141.6 | -61.1 | -38.3 | 0 | 0 | 0 | 120.8 | | |
| 399 | S | 33.1 | Very low | 32.6 | Very low | 89 Ų | 89 | 131.3 Ų | 131.3 | 62% | 0.622 | 73% | 0.732 | S | S | * | * | | | cis | -176.6 | 168 | 12.2 | -97.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 400 | L | 36.5 | Very low | 32.6 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 71% | 0.707 | 73% | 0.733 | S | S | * | * | | | cis | -166.3 | 164.4 | -4.6 | -112.6 | 163.1 | 0 | 0 | 0 | 110 | | |
| 401 | K | 37.2 | Very low | 32.4 | Very low | 180 Ų | 180 | 131.8 Ų | 131.8 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | | | trans | 71.2 | 80.7 | 151.5 | -77.3 | 160.2 | -179.8 | 175 | 0 | 121.3 | | |
| 402 | D | 31.5 | Very low | 32.7 | Very low | 153 Ų | 153 | 130.4 Ų | 130.4 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | | | | -28 | 172.7 | 118.6 | -89.1 | -53.9 | 0 | 0 | 0 | 117.4 | | |
| 403 | P | 38.7 | Very low | 32.6 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | | | cis | -122.5 | -157.9 | 12.8 | 29.4 | -4.8 | 0 | 0 | 0 | 112.8 | | |
| 404 | S | 35.5 | Very low | 32.8 | Very low | 101 Ų | 101 | 127.1 Ų | 127.1 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | | | cis | -160.8 | 147.7 | 22.4 | -18.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 405 | V | 32 | Very low | 32.7 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 84% | 0.842 | 73% | 0.729 | S | S | * | * | | | | 84.6 | 135 | 58.6 | 174.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 406 | P | 35.7 | Very low | 32.6 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | | | trans | -140.3 | -169.3 | -133.8 | 42.3 | -22.3 | 0 | 0 | 0 | 118.5 | | |
| 407 | S | 29.8 | Very low | 32.5 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | | | trans | 52.3 | 121.3 | 148.8 | 63.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 408 | N | 30.7 | Very low | 32.3 | Very low | 155 Ų | 155 | 126.3 Ų | 126.3 | 83% | 0.829 | 73% | 0.726 | S | S | * | * | | | | -175.4 | 159 | 113.4 | -99.3 | -18.9 | 0 | 0 | 0 | 116.4 | | |
| 409 | T | 27.4 | Very low | 32 | Very low | 113 Ų | 113 | 124.7 Ų | 124.7 | 69% | 0.693 | 73% | 0.727 | S | S | * | * | | | trans | -36.3 | 151.8 | 165.6 | -13.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 410 | T | 31.5 | Very low | 31.9 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | | | | -176.8 | 142.7 | 121.8 | -77.5 | 0 | 0 | 0 | 0 | 112 | I412 | T410-I412 HydrophobicContact CG2-CD1 4.27Š|
| 411 | N | 25.5 | Very low | 31.7 | Very low | 145 Ų | 145 | 124.4 Ų | 124.4 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | | | trans | -80.8 | 144.4 | 174.1 | -51.5 | -49 | 0 | 0 | 0 | 111.9 | | |
| 412 | I | 33.6 | Very low | 31.5 | Very low | 149 Ų | 149 | 120.8 Ų | 120.8 | 76% | 0.764 | 73% | 0.729 | S | S | * | * | | | trans | -138.5 | 133.5 | 148.5 | -85 | 106.4 | 0 | 0 | 0 | 110 | T410 | T410-I412 HydrophobicContact CG2-CD1 4.27Š|
| 413 | T | 27.5 | Very low | 31.4 | Very low | 125 Ų | 125 | 118.8 Ų | 118.8 | 77% | 0.767 | 73% | 0.727 | S | S | * | * | | | trans | -95.6 | 133.6 | 172.1 | -56 | 0 | 0 | 0 | 0 | 109.8 | | |
| 414 | T | 33 | Very low | 31 | Very low | 128 Ų | 128 | 119.3 Ų | 119.3 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | | | trans | -137 | 105.4 | 161.3 | -54.7 | 0 | 0 | 0 | 0 | 111 | | |
| 415 | T | 27.2 | Very low | 30.9 | Very low | 103 Ų | 103 | 121.9 Ų | 121.9 | 63% | 0.632 | 74% | 0.739 | S | S | * | * | | | trans | -74.2 | 143.3 | 168.9 | -48 | 0 | 0 | 0 | 0 | 110.8 | | |
| 416 | I | 32.6 | Very low | 30.9 | Very low | 153 Ų | 153 | 119.1 Ų | 119.1 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | | | trans | -162.6 | 106.7 | 137.6 | -94.6 | 142.6 | 0 | 0 | 0 | 106.3 | | |
| 417 | T | 31.2 | Very low | 30.7 | Very low | 100 Ų | 100 | 120.7 Ų | 120.7 | 61% | 0.613 | 73% | 0.728 | S | S | * | * | | | | 51.3 | 135.6 | 88.3 | 0.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 418 | T | 30.6 | Very low | 30.9 | Very low | 105 Ų | 105 | 124.1 Ų | 124.1 | 64% | 0.644 | 74% | 0.739 | S | S | * | * | | | cis | -162.9 | 157.8 | 23.9 | -33.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 419 | T | 31.7 | Very low | 30.8 | Very low | 116 Ų | 116 | 124 Ų | 124 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | | | trans | 60.8 | 134.5 | 147.4 | 41.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 420 | T | 30.9 | Very low | 31 | Very low | 119 Ų | 119 | 123.4 Ų | 123.4 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | | | cis | -164.4 | 161.9 | -1.2 | -5.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 421 | S | 32.1 | Very low | 31 | Very low | 99 Ų | 99 | 122.8 Ų | 122.8 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | | | trans | 75.3 | 109.8 | 144.9 | -60.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 422 | S | 32.3 | Very low | 31.2 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | | | trans | 62.5 | 91.3 | 137.2 | 56.6 | 0 | 0 | 0 | 0 | 120.1 | | |
| 423 | S | 30.5 | Very low | 30.9 | Very low | 111 Ų | 111 | 122 Ų | 122 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | | | | -14.3 | 148.7 | 126.6 | 53.3 | 0 | 0 | 0 | 0 | 117 | | |
| 424 | S | 30.5 | Very low | 30.9 | Very low | 117 Ų | 117 | 122.1 Ų | 122.1 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | | | cis | -163.2 | 136.5 | -1.9 | 43.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 425 | N | 32.2 | Very low | 30.7 | Very low | 156 Ų | 156 | 122.8 Ų | 122.8 | 83% | 0.834 | 73% | 0.731 | S | S | * | * | | | trans | -146.7 | 155.6 | -167.9 | -154.4 | 12.9 | 0 | 0 | 0 | 113.2 | | |
| 426 | S | 32.7 | Very low | 30.7 | Very low | 80 Ų | 80 | 125.2 Ų | 125.2 | 56% | 0.559 | 74% | 0.735 | S | S | * | * | | | trans | 51.9 | 112.5 | 158.9 | 59.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 427 | N | 31.1 | Very low | 30.4 | Very low | 141 Ų | 141 | 123 Ų | 123 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | | | | 49.9 | 123.7 | 120.7 | -43.7 | -12.6 | 0 | 0 | 0 | 120.3 | | |
| 428 | N | 33.6 | Very low | 30.2 | Very low | 164 Ų | 164 | 123.5 Ų | 123.5 | 88% | 0.877 | 74% | 0.736 | S | S | * | * | | | | -174.1 | 148.3 | 99.4 | -85.6 | -27.9 | 0 | 0 | 0 | 112.5 | | |
| 429 | D | 28.2 | Very low | 30.1 | Very low | 153 Ų | 153 | 123.5 Ų | 123.5 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | | | trans | -111.1 | 175 | 174.7 | -150.7 | 12.9 | 0 | 0 | 0 | 107.1 | | |
| 430 | P | 33.2 | Very low | 29.9 | Very low | 101 Ų | 101 | 124.9 Ų | 124.9 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | | | cis | -130.8 | 174.8 | -18.3 | 40.6 | -26.3 | 0 | 0 | 0 | 113.9 | | |
| 431 | S | 30.9 | Very low | 29.8 | Very low | 108 Ų | 108 | 124.6 Ų | 124.6 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | | | trans | 172.8 | 159.6 | 134.4 | 45.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 432 | L | 29.8 | Very low | 29.7 | Very low | 147 Ų | 147 | 125.6 Ų | 125.6 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | | | trans | 51.3 | 71.4 | 160.9 | -72.7 | 155.7 | 0 | 0 | 0 | 116.8 | | |
| 433 | I | 27.8 | Very low | 29.7 | Very low | 132 Ų | 132 | 125.4 Ų | 125.4 | 68% | 0.677 | 74% | 0.74 | S | S | * | * | | | | 65.9 | 94.3 | 84.9 | -55.8 | 165.4 | 0 | 0 | 0 | 113.4 | L435 | I433-L435 HydrophobicContact CG2-CB 4.36Å; I433-L435 HydrophobicContact CG2-CD1 3.83Å; I433-L435 HydrophobicContact CG2-CG 3.78Å |
| 434 | V | 27.6 | Very low | 29.9 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | | | trans | -100.8 | 103.8 | 158.8 | -178 | 0 | 0 | 0 | 0 | 108.1 | H436 | V434-H436 PolarHBondContact O-N 3.36Š|
| 435 | L | 27 | Very low | 30.2 | Very low | 142 Ų | 142 | 135 Ų | 135 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | | | trans | -88.2 | 92.8 | -176 | -103.1 | 165.6 | 0 | 0 | 0 | 112.3 | I433 S437 | I433-L435 HydrophobicContact CG2-CB 4.36Å; I433-L435 HydrophobicContact CG2-CD1 3.83Å; I433-L435 HydrophobicContact CG2-CG 3.78Å; L435-S437 PolarHBondContact O-N 2.95Å |
| 436 | H | 28.4 | Very low | 30.4 | Very low | 154 Ų | 154 | 137 Ų | 137 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | | | trans | -69.3 | 94.1 | 163.7 | -81 | -112.9 | 0 | 0 | 0 | 110.1 | V434 T438 | V434-H436 PolarHBondContact O-N 3.36Å; H436-T438 PolarHBondContact O-N 3.13Å |
| 437 | S | 26.6 | Very low | 30.6 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | -74.6 | 48.6 | 177.9 | -64.9 | 0 | 0 | 0 | 0 | 114.1 | L435 S439 | L435-S437 PolarHBondContact O-N 2.95Å; S437-S439 VanDerWaalsContact C-N 3.28Å; S437-S439 PolarHBondContact O-N 3.21Å |
| 438 | T | 27.2 | Very low | 31 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | | | trans | -75.3 | 80.3 | 167.7 | 49.8 | 0 | 0 | 0 | 0 | 110.1 | H436 I440 | H436-T438 PolarHBondContact O-N 3.13Å; T438-I440 VanDerWaalsContact C-N 3.32Å; T438-I440 PolarHBondContact O-N 3.18Å |
| 439 | S | 27.3 | Very low | 30.9 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | | | trans | -71.8 | 80.5 | -179.6 | -168.7 | 0 | 0 | 0 | 0 | 112.3 | S437 V441 | S437-S439 VanDerWaalsContact C-N 3.28Å; S437-S439 PolarHBondContact O-N 3.21Å; S439-V441 PolarHBondContact O-N 2.95Å |
| 440 | I | 27.3 | Very low | 31.5 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | | | trans | -85.5 | 89.1 | 169.6 | -57.7 | 176.7 | 0 | 0 | 0 | 108.4 | T438 T442 | T438-I440 VanDerWaalsContact C-N 3.32Å; T438-I440 PolarHBondContact O-N 3.18Å; I440-T442 HydrophobicContact CG2-CG2 4.31Å |
| 441 | V | 28.5 | Very low | 31.7 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | | | trans | -113.4 | 88.5 | 175.5 | -175.8 | 0 | 0 | 0 | 0 | 110.6 | S439 S443 | S439-V441 PolarHBondContact O-N 2.95Å; V441-S443 VanDerWaalsContact C-N 3.31Å; V441-S443 PolarHBondContact O-N 3.31Å |
| 442 | T | 31.2 | Very low | 31.7 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | trans | -76.1 | 75.1 | 177.7 | 55.7 | 0 | 0 | 0 | 0 | 112.1 | I440 K444 | I440-T442 HydrophobicContact CG2-CG2 4.31Å; T442-K444 PolarHBondContact O-N 3.2Å |
| 443 | S | 31.9 | Very low | 32 | Very low | 101 Ų | 101 | 153.6 Ų | 153.6 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -75.3 | 91.7 | -177.9 | -168.9 | 0 | 0 | 0 | 0 | 112.9 | V441 R445 | V441-S443 VanDerWaalsContact C-N 3.31Å; V441-S443 PolarHBondContact O-N 3.31Å; S443-R445 VanDerWaalsContact C-N 3.3Å; S443-R445 PolarHBondContact O-N 3.42Å |
| 444 | K | 34.1 | Very low | 32.2 | Very low | 200 Ų | 200 | 157.4 Ų | 157.4 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | | | trans | -75.6 | 71.4 | 175.8 | -72.5 | -169.4 | 176.4 | -178.5 | 0 | 112.6 | T442 K446 | T442-K444 PolarHBondContact O-N 3.2Å; K444-K446 PolarHBondContact O-N 3.32Å |
| 445 | R | 36.9 | Very low | 32.6 | Very low | 231 Ų | 231 | 156.3 Ų | 156.3 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | | | trans | -73.5 | 96.2 | 175.8 | -167.4 | 172.6 | -177.3 | 175.8 | 0.5 | 111.8 | S443 R447 | S443-R445 VanDerWaalsContact C-N 3.3Å; S443-R445 PolarHBondContact O-N 3.42Å; R445-R447 PolarHBondContact O-N 3.04Å |
| 446 | K | 36.1 | Very low | 32.8 | Very low | 196 Ų | 196 | 155.6 Ų | 155.6 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 117.9 | 177.2 | -174.5 | 172.8 | -177.7 | 174.3 | 0 | 111.7 | K444 R448 | K444-K446 PolarHBondContact O-N 3.32Å; K446-R448 PolarHBondContact O-N 3.16Å |
| 447 | R | 38.1 | Very low | 33.2 | Very low | 240 Ų | 240 | 155.5 Ų | 155.5 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 125.5 | 169.4 | -79.1 | -178.9 | 169.1 | 176.8 | -3.5 | 109.4 | R445 | R445-R447 PolarHBondContact O-N 3.04Š|
| 448 | R | 38.7 | Very low | 33.6 | Very low | 223 Ų | 223 | 158.7 Ų | 158.7 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 120.3 | 169.8 | -164.8 | -175.3 | -63 | 176.9 | 1.4 | 108.1 | K446 | K446-R448 PolarHBondContact O-N 3.16Š|
| 449 | N | 32.6 | Very low | 33.9 | Very low | 157 Ų | 157 | 161 Ų | 161 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 121.4 | -175.8 | -167.2 | 2.5 | 0 | 0 | 0 | 110.2 | | |
| 450 | I | 40.5 | Very low | 34.3 | Very low | 136 Ų | 136 | 161.6 Ų | 161.6 | 70% | 0.697 | 80% | 0.797 | S | S | * | * | | | trans | -136.1 | 135.6 | 173 | -61.1 | -177.5 | 0 | 0 | 0 | 107.1 | | |
| 451 | P | 37.3 | Very low | 34.8 | Very low | 112 Ų | 112 | 161.1 Ų | 161.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | -80.7 | 142.9 | -161.2 | -13.8 | 30.9 | 0 | 0 | 0 | 114.2 | K453 | P451-K453 PolarHBondContact O-N 3.06Š|
| 452 | N | 30.1 | Very low | 35.1 | Very low | 170 Ų | 170 | 162.4 Ų | 162.4 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | | | trans | -58.1 | 116.7 | 167.6 | -82.1 | -20.1 | 0 | 0 | 0 | 111.3 | | |
| 453 | K | 36.9 | Very low | 35.2 | Very low | 205 Ų | 205 | 163.7 Ų | 163.7 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | | | trans | -111.1 | 131.4 | 155.1 | -83.4 | -171.4 | 172.9 | -176.2 | 0 | 108.9 | P451 | P451-K453 PolarHBondContact O-N 3.06Š|
| 454 | K | 32.5 | Very low | 35.1 | Very low | 213 Ų | 213 | 166.5 Ų | 166.5 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | | | trans | -78.2 | 135.7 | 175.7 | -58.5 | 172.5 | -179.3 | 177.1 | 0 | 109.3 | | |
| 455 | S | 35.9 | Very low | 35.2 | Very low | 103 Ų | 103 | 165.6 Ų | 165.6 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | | | trans | -139.3 | 135.5 | 136.2 | -155.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 456 | T | 31.3 | Very low | 34.7 | Very low | 127 Ų | 127 | 160.2 Ų | 160.2 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | trans | -83.2 | 137.7 | 158.4 | 42.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 457 | D | 36.5 | Very low | 34.5 | Very low | 151 Ų | 151 | 157.1 Ų | 157.1 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | | | trans | -146.2 | 147.4 | 152.9 | -81.3 | -58.6 | 0 | 0 | 0 | 108.3 | | |
| 458 | E | 33.7 | Very low | 34.1 | Very low | 174 Ų | 174 | 154.2 Ų | 154.2 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | -93.2 | 124.7 | -170.6 | -60.9 | 179.3 | 145.6 | 0 | 0 | 111 | I460 | E458-I460 HydrophobicContact CB-CG1 4.48Å; E458-I460 PolarHBondContact O-N 3.32Å |
| 459 | I | 34.2 | Very low | 33.8 | Very low | 160 Ų | 160 | 149 Ų | 149 | 82% | 0.821 | 79% | 0.79 | S | S | * | * | | | trans | -91.6 | 89.9 | 169.2 | -57.6 | -177.2 | 0 | 0 | 0 | 108.7 | I461 | I459-I461 HydrophobicContact CG2-CG1 4.01Å; I459-I461 PolarHBondContact O-N 3.4Å |
| 460 | I | 36.3 | Very low | 33.6 | Very low | 118 Ų | 118 | 151.6 Ų | 151.6 | 61% | 0.605 | 79% | 0.789 | S | S | * | * | | | trans | -76.9 | 105 | 168.7 | -59.9 | 173.1 | 0 | 0 | 0 | 108 | E458 N462 | E458-I460 HydrophobicContact CB-CG1 4.48Å; E458-I460 PolarHBondContact O-N 3.32Å; I460-N462 PolarHBondContact O-N 3.1Å; I460-N462 VanDerWaalsContact O-N 3.12Å |
| 461 | I | 37.1 | Very low | 33 | Very low | 134 Ų | 134 | 150.9 Ų | 150.9 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | | | trans | -81.7 | 89.1 | 172.3 | -53.2 | -178.6 | 0 | 0 | 0 | 108.6 | I459 N463 | I459-I461 HydrophobicContact CG2-CG1 4.01Å; I459-I461 PolarHBondContact O-N 3.4Å; I461-N463 WeakPolarHBondContact CG2-OD1 3.38Å; I461-N463 PolarHBondContact O-N 3.46Å |
| 462 | N | 35.8 | Very low | 32.7 | Very low | 139 Ų | 139 | 152.4 Ų | 152.4 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | trans | -75.2 | 100.1 | 168.2 | -84.7 | -19.3 | 0 | 0 | 0 | 109.5 | I460 N464 | I460-N462 PolarHBondContact O-N 3.1Å; I460-N462 VanDerWaalsContact O-N 3.12Å; N462-N464 VanDerWaalsContact C-N 3.31Å; N462-N464 PolarHBondContact O-N 3.09Å |
| 463 | N | 31.9 | Very low | 32.7 | Very low | 147 Ų | 147 | 152.6 Ų | 152.6 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | trans | -67.9 | 85 | 171.1 | -74.5 | 0 | 0 | 0 | 0 | 110.6 | I461 | I461-N463 WeakPolarHBondContact CG2-OD1 3.38Å; I461-N463 PolarHBondContact O-N 3.46Å |
| 464 | N | 30.1 | Very low | 32.5 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | | | trans | -163 | 53.2 | 171.6 | -120.8 | 2.6 | 0 | 0 | 0 | 113.9 | N462 | N462-N464 VanDerWaalsContact C-N 3.31Å; N462-N464 PolarHBondContact O-N 3.09Å |
| 465 | E | 35.6 | Very low | 32.5 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | | | trans | -145.2 | 136.3 | 166.3 | -147.6 | 156.4 | -138.7 | 0 | 0 | 111.1 | | |
| 466 | S | 27.3 | Very low | 32.5 | Very low | 118 Ų | 118 | 150 Ų | 150 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -87.8 | 113.7 | -176.7 | 52.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 467 | I | 32.6 | Very low | 32.6 | Very low | 132 Ų | 132 | 150.1 Ų | 150.1 | 68% | 0.677 | 79% | 0.793 | S | S | * | * | | | trans | -114.5 | 102.9 | 178.1 | -57.5 | -179 | 0 | 0 | 0 | 109.7 | S469 | I467-S469 PolarHBondContact O-N 3.3Å; I467-S469 VanDerWaalsContact O-N 3.13Å; I467-S469 PolarHBondContact O-OG 2.99Å |
| 468 | E | 28.5 | Very low | 32.2 | Very low | 179 Ų | 179 | 150.3 Ų | 150.3 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -57.1 | 112.8 | 165.4 | -64.1 | 175.7 | 121.2 | 0 | 0 | 108.4 | Y470 | E468-Y470 PolarHBondContact O-N 3.44Š|
| 469 | S | 32.3 | Very low | 32.3 | Very low | 113 Ų | 113 | 150.1 Ų | 150.1 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -87.1 | 116.5 | -172.7 | -66.2 | 0 | 0 | 0 | 0 | 110.6 | I467 | I467-S469 PolarHBondContact O-N 3.3Å; I467-S469 VanDerWaalsContact O-N 3.13Å; I467-S469 PolarHBondContact O-OG 2.99Å |
| 470 | Y | 28.8 | Very low | 32.2 | Very low | 211 Ų | 211 | 149.7 Ų | 149.7 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | trans | -62.8 | 141.2 | -169.1 | -72.8 | -105.6 | 0 | 0 | 0 | 113.7 | E468 I472 | E468-Y470 PolarHBondContact O-N 3.44Å; Y470-I472 PolarHBondContact O-N 2.96Å |
| 471 | S | 27.4 | Very low | 32.3 | Very low | 121 Ų | 121 | 151.7 Ų | 151.7 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | | | trans | -75.5 | 112.8 | 165 | 38.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 472 | I | 32.7 | Very low | 32.2 | Very low | 144 Ų | 144 | 152.2 Ų | 152.2 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | | | trans | -98.9 | 110.4 | 176.2 | -60 | 178.6 | 0 | 0 | 0 | 109 | Y470 | Y470-I472 PolarHBondContact O-N 2.96Š|
| 473 | L | 29.9 | Very low | 32.1 | Very low | 174 Ų | 174 | 152 Ų | 152 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | | | trans | -87.6 | 121.5 | 165.3 | -77.7 | 161.2 | 0 | 0 | 0 | 108.6 | | |
| 474 | C | 31.9 | Very low | 32.2 | Very low | 117 Ų | 117 | 151.5 Ų | 151.5 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | | | trans | -115.8 | 127.1 | 165.4 | -69.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 475 | N | 33.6 | Very low | 32.2 | Very low | 170 Ų | 170 | 148 Ų | 148 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 157.8 | -174.3 | -148.9 | 58.6 | 0 | 0 | 0 | 110.4 | | |
| 476 | E | 35 | Very low | 31.9 | Very low | 181 Ų | 181 | 147.8 Ų | 147.8 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 157.3 | -171.1 | -141.6 | 171.4 | 144.1 | 0 | 0 | 114.1 | | |
| 477 | N | 33.2 | Very low | 31.8 | Very low | 128 Ų | 128 | 146.6 Ų | 146.6 | 68% | 0.684 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 163.5 | 171.8 | -71.8 | -66.2 | 0 | 0 | 0 | 112 | | |
| 478 | Q | 29.5 | Very low | 31.5 | Very low | 155 Ų | 155 | 146 Ų | 146 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | | | cis | -164.1 | 152.9 | -6.3 | -120.4 | 164.6 | 48.4 | 0 | 0 | 108.1 | | |
| 479 | L | 35.2 | Very low | 31.6 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | | | trans | 159.5 | 110.9 | 136.4 | -90.2 | 162.4 | 0 | 0 | 0 | 109.9 | | |
| 480 | D | 31.8 | Very low | 31.5 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | | | trans | -81 | 144.1 | 168 | -60.3 | -73.7 | 0 | 0 | 0 | 110.7 | | |
| 481 | D | 37.3 | Very low | 31.6 | Very low | 161 Ų | 161 | 140.1 Ų | 140.1 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | | | trans | -166.3 | 84.7 | 141 | -109 | -17.1 | 0 | 0 | 0 | 109.9 | | |
| 482 | D | 35.5 | Very low | 31.7 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | 51.8 | 146.4 | 138.5 | -101.5 | 7.5 | 0 | 0 | 0 | 124.2 | | |
| 483 | N | 35.1 | Very low | 31.7 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | 82.9 | 81.7 | 157.6 | -70 | -63 | 0 | 0 | 0 | 121.9 | | |
| 484 | N | 32.7 | Very low | 31.7 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | | 90.2 | 117.9 | 104.5 | -163.8 | 24.9 | 0 | 0 | 0 | 121 | | |
| 485 | S | 30.1 | Very low | 31.6 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | | | trans | 83 | 115.5 | 144 | -85.2 | 0 | 0 | 0 | 0 | 123.3 | | |
| 486 | M | 29.3 | Very low | 31.4 | Very low | 175 Ų | 175 | 133.1 Ų | 133.1 | 86% | 0.862 | 75% | 0.749 | S | S | * | * | | | | 71.6 | 108.9 | 124.6 | -74.7 | -163.4 | 163.2 | 0 | 0 | 121.7 | | |
| 487 | S | 25.9 | Very low | 31.2 | Very low | 94 Ų | 94 | 129.6 Ų | 129.6 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | | | | 87.9 | 108.4 | 110.8 | -170.7 | 0 | 0 | 0 | 0 | 120 | | |
| 488 | T | 26.9 | Very low | 31.2 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | | | | 45.3 | 118.6 | 120 | -25.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 489 | V | 30.7 | Very low | 31.5 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | | | | -164 | 151.3 | 122.3 | 133.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 490 | T | 29.1 | Very low | 31.3 | Very low | 111 Ų | 111 | 124 Ų | 124 | 68% | 0.681 | 74% | 0.742 | S | S | * | * | | | trans | -84.5 | 158.2 | -173 | -38.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 491 | T | 30.1 | Very low | 31.2 | Very low | 122 Ų | 122 | 122.8 Ų | 122.8 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | | | | 154.3 | 107.1 | 121.2 | -58.6 | 0 | 0 | 0 | 0 | 115 | | |
| 492 | T | 29.6 | Very low | 30.7 | Very low | 103 Ų | 103 | 120.7 Ų | 120.7 | 63% | 0.632 | 73% | 0.733 | S | S | * | * | | | trans | 23.6 | 122.7 | 133.3 | -28.5 | 0 | 0 | 0 | 0 | 121.6 | | |
| 493 | N | 33.3 | Very low | 30.3 | Very low | 145 Ų | 145 | 121 Ų | 121 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | | | | -177.9 | 112.5 | 112.6 | -85.9 | -20.6 | 0 | 0 | 0 | 110.5 | | |
| 494 | T | 30.9 | Very low | 30 | Very low | 109 Ų | 109 | 121.1 Ų | 121.1 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | | | | 65.2 | 127.1 | 78.8 | 41.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 495 | T | 29.5 | Very low | 29.8 | Very low | 128 Ų | 128 | 122.4 Ų | 122.4 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | | | trans | 78.7 | 138.2 | 142.7 | -59.6 | 0 | 0 | 0 | 0 | 119 | | |
| 496 | S | 28.1 | Very low | 29.6 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | | | cis | -173.9 | 175.4 | -21.5 | -91.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 497 | S | 32.4 | Very low | 29.7 | Very low | 106 Ų | 106 | 121.8 Ų | 121.8 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | | | trans | 99.9 | 132.5 | 140.9 | -58.5 | 0 | 0 | 0 | 0 | 120.7 | | |
| 498 | S | 32.4 | Very low | 29.9 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | | | trans | 65.4 | 141.5 | 161.7 | 65 | 0 | 0 | 0 | 0 | 118.5 | | |
| 499 | S | 35.6 | Very low | 30 | Very low | 96 Ų | 96 | 122 Ų | 122 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | | | cis | -171.9 | 142.6 | -16.9 | 44.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 500 | T | 30.1 | Very low | 29.9 | Very low | 126 Ų | 126 | 121.7 Ų | 121.7 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | trans | 45.8 | 125.2 | 159 | 48.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 501 | T | 29.7 | Very low | 30 | Very low | 125 Ų | 125 | 123.3 Ų | 123.3 | 77% | 0.767 | 74% | 0.742 | S | S | * | * | | | cis | -161.8 | 175.8 | 32.4 | -20.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 502 | T | 27.4 | Very low | 30 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | | | trans | -25.8 | 141.2 | 166.6 | 45.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 503 | N | 27 | Very low | 29.9 | Very low | 149 Ų | 149 | 122.4 Ų | 122.4 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | cis | -141 | 155.8 | 27.2 | -111.1 | -9.6 | 0 | 0 | 0 | 113.7 | N505 | N503-N505 PolarHBondContact O-N 3.21Š|
| 504 | T | 28.4 | Very low | 29.9 | Very low | 140 Ų | 140 | 122.5 Ų | 122.5 | 86% | 0.859 | 74% | 0.743 | S | S | * | * | | | trans | -79.3 | 99.5 | -173.9 | -46 | 0 | 0 | 0 | 0 | 113.2 | | |
| 505 | N | 28.3 | Very low | 29.9 | Very low | 162 Ų | 162 | 127 Ų | 127 | 87% | 0.866 | 75% | 0.753 | S | S | * | * | | | trans | -160.8 | 75.8 | 162.6 | -114.5 | -20.1 | 0 | 0 | 0 | 111.8 | N503 | N503-N505 PolarHBondContact O-N 3.21Š|
| 506 | I | 26.6 | Very low | 30.2 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | | | trans | -140.1 | 106.8 | 177.6 | -62.3 | -179.5 | 0 | 0 | 0 | 105 | | |
| 507 | S | 30.7 | Very low | 30.4 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | | | | 70.3 | 118.5 | 64.9 | -167.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 508 | T | 30.8 | Very low | 30.8 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | | | | 168 | 172.6 | 103.8 | 38.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 509 | P | 29.2 | Very low | 30.9 | Very low | 104 Ų | 104 | 138 Ų | 138 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | cis | -126.6 | 143 | -9.1 | 14.2 | 10.5 | 0 | 0 | 0 | 115.5 | | |
| 510 | I | 28 | Very low | 30.8 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | | | | 45.4 | 117.6 | 119.2 | -53.3 | 161.3 | 0 | 0 | 0 | 116.4 | | |
| 511 | N | 31.4 | Very low | 31.2 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | | | | -162.9 | 166.5 | 73.5 | -140.4 | -18.3 | 0 | 0 | 0 | 116.8 | | |
| 512 | S | 30.5 | Very low | 31.3 | Very low | 92 Ų | 92 | 145.8 Ų | 145.8 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | | | trans | 1 | 115.6 | 165.6 | 56.7 | 0 | 0 | 0 | 0 | 118.7 | | |
| 513 | S | 27.8 | Very low | 32 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | | 64.1 | 106.5 | 60.1 | -169.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 514 | M | 33.8 | Very low | 32.5 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 73% | 0.729 | 76% | 0.758 | S | S | * | * | | | trans | -156 | 95.5 | 147.7 | -151.4 | 178.9 | -59.1 | 0 | 0 | 112.6 | R516 | M514-R516 PolarHBondContact SD-NH2 2.98Š|
| 515 | K | 30.4 | Very low | 33.3 | Very low | 202 Ų | 202 | 148.3 Ų | 148.3 | 88% | 0.878 | 76% | 0.762 | S | S | * | * | | | trans | -76.9 | 136.8 | 159.4 | -76 | -174.2 | 176.6 | -178.8 | 0 | 108.9 | | |
| 516 | R | 36.1 | Very low | 33.9 | Very low | 194 Ų | 194 | 148.6 Ų | 148.6 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | | | trans | -136.3 | 109 | 161.7 | -104.6 | -175.9 | -76.8 | 131.1 | -4.5 | 110.9 | M514 | M514-R516 PolarHBondContact SD-NH2 2.98Š|
| 517 | N | 32 | Very low | 34.7 | Very low | 154 Ų | 154 | 149 Ų | 149 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | | | trans | -74 | 124.1 | 163 | -69 | -31.6 | 0 | 0 | 0 | 108.6 | | |
| 518 | L | 41.1 | Very low | 35 | Very low | 153 Ų | 153 | 147.5 Ų | 147.5 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | | | trans | -143.4 | 80.5 | 161.1 | -95 | 165.9 | 0 | 0 | 0 | 106.3 | | |
| 519 | H | 34.9 | Very low | 35.4 | Very low | 174 Ų | 174 | 151.9 Ų | 151.9 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | | | | 70.8 | 96.2 | 87 | -139.6 | 107.6 | 0 | 0 | 0 | 113.1 | | |
| 520 | K | 33.4 | Very low | 36 | Very low | 189 Ų | 189 | 155.6 Ų | 155.6 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | -32.7 | 123.5 | 169.8 | -179.6 | 177.7 | -177.4 | 174.5 | 0 | 114.5 | | |
| 521 | K | 37.7 | Very low | 36.5 | Very low | 184 Ų | 184 | 156.9 Ų | 156.9 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | | | trans | -136 | 158.5 | 149.6 | -97.1 | -144.7 | 166.5 | -160 | 0 | 110.1 | | |
| 522 | H | 30.9 | Very low | 37 | Very low | 138 Ų | 138 | 157.1 Ų | 157.1 | 64% | 0.639 | 79% | 0.786 | S | S | * | * | | | trans | -133 | 106.9 | -170.5 | 165.4 | -45.1 | 0 | 0 | 0 | 107.1 | D524 | H522-D524 VanDerWaalsContact CE1-CG 3.47Å; H522-D524 IonicContact CE1-OD1 3.34Å; H522-D524 PolarHBondContact CE1-OD1 3.44Å; H522-D524 VanDerWaalsContact CE1-OD1 3.3Å; H522-D524 IonicContact CE1-OD2 3.61Å; H522-D524 PolarHBondContact CE1-OD2 3.49Å; H522-D524 IonicContact ND1-OD1 2.78Å; H522-D524 IonicContact ND1-OD2 3.98Å; H522-D524 PolarHBondContact ND1-OD2 2.88Å |
| 523 | E | 42 | Very low | 37.4 | Very low | 160 Ų | 160 | 161.5 Ų | 161.5 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | trans | -141.6 | 107.1 | 159.7 | -61.8 | 177.4 | -168.7 | 0 | 0 | 100.5 | | |
| 524 | D | 37.5 | Very low | 38.3 | Very low | 124 Ų | 124 | 163 Ų | 163 | 66% | 0.663 | 80% | 0.795 | S | S | * | * | | | | 49.2 | 91.2 | 75.1 | -65.7 | -27.7 | 0 | 0 | 0 | 110.9 | H522 | H522-D524 VanDerWaalsContact CE1-CG 3.47Å; H522-D524 IonicContact CE1-OD1 3.34Å; H522-D524 PolarHBondContact CE1-OD1 3.44Å; H522-D524 VanDerWaalsContact CE1-OD1 3.3Å; H522-D524 IonicContact CE1-OD2 3.61Å; H522-D524 PolarHBondContact CE1-OD2 3.49Å; H522-D524 IonicContact ND1-OD1 2.78Å; H522-D524 IonicContact ND1-OD2 3.98Å; H522-D524 PolarHBondContact ND1-OD2 2.88Å |
| 525 | D | 46.5 | Very low | 39 | Very low | 175 Ų | 175 | 161.3 Ų | 161.3 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | | | trans | -152.8 | 142.2 | 145.1 | -111.6 | -31.2 | 0 | 0 | 0 | 109.7 | | |
| 526 | E | 41.5 | Very low | 39 | Very low | 169 Ų | 169 | 159.5 Ų | 159.5 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | trans | -82.2 | -178.3 | -172.2 | -82.8 | -79.1 | 173.4 | 0 | 0 | 113.2 | | |
| 527 | N | 42.4 | Very low | 39 | Very low | 162 Ų | 162 | 156.9 Ų | 156.9 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | | | trans | 91.7 | 125.3 | 176.3 | -47.3 | -46 | 0 | 0 | 0 | 115.1 | | |
| 528 | G | 37.1 | Very low | 39.2 | Very low | 63 Ų | 63 | 154.9 Ų | 154.9 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | | | cis | 136.5 | 91 | -1.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 529 | F | 40.2 | Very low | 39 | Very low | 207 Ų | 207 | 152.8 Ų | 152.8 | 91% | 0.908 | 80% | 0.797 | S | S | * | * | | | trans | -119.5 | 102.9 | 169.7 | -74.4 | -75.6 | 0 | 0 | 0 | 109 | | |
| 530 | E | 40.5 | Very low | 39.1 | Very low | 182 Ų | 182 | 149.9 Ų | 149.9 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | trans | -79.1 | 134 | -175.2 | -167 | 170.6 | -137.9 | 0 | 0 | 110.8 | I532 | E530-I532 PolarHBondContact O-N 3.18Š|
| 531 | L | 39.4 | Very low | 39.3 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | | | trans | -76.2 | 114.5 | 173.1 | -90.1 | 81.9 | 0 | 0 | 0 | 109.6 | E533 | L531-E533 PolarHBondContact O-N 3.44Š|
| 532 | I | 41.1 | Very low | 39.4 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | | | trans | -78.8 | 99.8 | 172.7 | -59.2 | 177.4 | 0 | 0 | 0 | 109.3 | E530 | E530-I532 PolarHBondContact O-N 3.18Š|
| 533 | E | 39.8 | Very low | 39.8 | Very low | 184 Ų | 184 | 140.1 Ų | 140.1 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 117.3 | 172.3 | -168.5 | 170.7 | -130.2 | 0 | 0 | 110 | L531 | L531-E533 PolarHBondContact O-N 3.44Š|
| 534 | L | 46.3 | Very low | 39.7 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 130.1 | -177.6 | -77.1 | 171.3 | 0 | 0 | 0 | 111.7 | | |
| 535 | P | 47.7 | Very low | 39.8 | Very low | 112 Ų | 112 | 143 Ų | 143 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 130.4 | -167.5 | 29.8 | -35.6 | 0 | 0 | 0 | 114 | | |
| 536 | N | 30.8 | Very low | 39.6 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | | | trans | -93.4 | 101.2 | 164.6 | -85.2 | -45.9 | 0 | 0 | 0 | 110.6 | | |
| 537 | T | 36.5 | Very low | 39.6 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | trans | -137 | 144 | 162.9 | 44.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 538 | S | 35.4 | Very low | 39.5 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | -104.4 | 160.9 | -174.2 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 539 | S | 38.2 | Very low | 39.8 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | | | trans | 178.6 | 137.6 | 141.5 | -82.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 540 | S | 36.4 | Very low | 39.7 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | | | trans | 50.2 | 146.9 | 143.8 | 60.1 | 0 | 0 | 0 | 0 | 122.3 | | |
| 541 | S | 37.2 | Very low | 39.4 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | | | cis | -176.5 | 171.1 | -8.9 | 50.1 | 0 | 0 | 0 | 0 | 111 | | |
| 542 | S | 40.1 | Very low | 39.2 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | 71.3 | 145.9 | 163.5 | 75 | 0 | 0 | 0 | 0 | 117.9 | | |
| 543 | A | 39 | Very low | 38.8 | Very low | 87 Ų | 87 | 139.8 Ų | 139.8 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | | | cis | -162.5 | -176.4 | -11.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 544 | I | 40.5 | Very low | 38.6 | Very low | 160 Ų | 160 | 136 Ų | 136 | 82% | 0.821 | 79% | 0.786 | S | S | * | * | | | trans | 76.2 | 108.3 | 173.9 | -46.5 | 165.7 | 0 | 0 | 0 | 112.8 | | |
| 545 | E | 39.3 | Very low | 37.8 | Very low | 184 Ų | 184 | 134.6 Ų | 134.6 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | cis | 83.3 | 89.9 | 18.2 | -156.9 | 171.5 | -155.2 | 0 | 0 | 116.4 | | |
| 546 | S | 42.7 | Very low | 37.1 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | | | trans | 168.4 | 143.2 | 161 | -72.7 | 0 | 0 | 0 | 0 | 106.5 | | |
| 547 | D | 41.9 | Very low | 37 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | cis | -154 | 171.9 | -8.1 | -120.7 | -38.2 | 0 | 0 | 0 | 109.6 | | |
| 548 | E | 40.6 | Very low | 37 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | | | trans | -67.2 | 148.1 | -174.4 | -57.4 | 176.8 | 133.5 | 0 | 0 | 114.9 | | |
| 549 | L | 42.5 | Very low | 36.7 | Very low | 179 Ų | 179 | 135 Ų | 135 | 94% | 0.937 | 77% | 0.773 | S | S | * | * | | | trans | -155.6 | 97.4 | 145.2 | -111.2 | 177.5 | 0 | 0 | 0 | 110 | | |
| 550 | E | 38.7 | Very low | 36.5 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | | | trans | -83.6 | 172 | -174 | -164.9 | 168.5 | -166 | 0 | 0 | 113.6 | | |
| 551 | M | 33.8 | Very low | 36.2 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 64% | 0.635 | 77% | 0.769 | S | S | * | * | | | trans | -40.2 | 143.2 | -177.3 | -59 | 177 | -79.7 | 0 | 0 | 117.2 | | |
| 552 | H | 35.2 | Very low | 36.1 | Very low | 185 Ų | 185 | 137.5 Ų | 137.5 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | -139.4 | 91.9 | 132.9 | -88.3 | -68 | 0 | 0 | 0 | 111.2 | | |
| 553 | T | 32 | Very low | 35.7 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | | | trans | -90.5 | 119.5 | 151.7 | 41.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 554 | S | 36.6 | Very low | 35.4 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | | | trans | -148.6 | 132.6 | 178.4 | -66.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 555 | S | 29.7 | Very low | 35.1 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | | | trans | -73.4 | 151.6 | -178 | 41.8 | 0 | 0 | 0 | 0 | 112 | | |
| 556 | L | 31.8 | Very low | 34.8 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | | | trans | -126.7 | 105.2 | 161.5 | -175.3 | 60.1 | 0 | 0 | 0 | 110.3 | | |
| 557 | T | 28.8 | Very low | 34.3 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 64% | 0.638 | 77% | 0.765 | S | S | * | * | | | trans | -67.1 | 135.3 | 166.1 | -53.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 558 | I | 36.1 | Very low | 34 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | | | trans | -116.3 | 99.7 | 163.9 | -59.8 | -178.1 | 0 | 0 | 0 | 108.3 | | |
| 559 | N | 30.5 | Very low | 33.7 | Very low | 137 Ų | 137 | 138 Ų | 138 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | | | trans | -79.1 | 127.2 | 162.4 | -71.2 | -12.6 | 0 | 0 | 0 | 108.2 | | |
| 560 | T | 33.8 | Very low | 33.3 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | | | trans | -128.7 | 98.8 | 164 | -43.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 561 | T | 30.5 | Very low | 33.1 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | | | trans | -89.6 | 117.1 | -178.5 | -53.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 562 | T | 33.6 | Very low | 32.9 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | | | trans | -140.2 | 121.4 | 157.8 | 23 | 0 | 0 | 0 | 0 | 110.6 | | |
| 563 | T | 31.7 | Very low | 32.8 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | | | trans | -74 | 131.9 | -173.9 | 45.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 564 | S | 34.4 | Very low | 32.7 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | | | | -166.5 | 127.2 | 129.7 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 565 | T | 33.3 | Very low | 32.5 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | -2.1 | 138.4 | 146.3 | 52.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 566 | T | 32.9 | Very low | 33 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | cis | -164.3 | 169.9 | 12.4 | 2.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 567 | T | 32.6 | Very low | 33.6 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | | | trans | 0 | 141.1 | 152.2 | 9.4 | 0 | 0 | 0 | 0 | 118.9 | | |
| 568 | E | 34.4 | Very low | 34.1 | Very low | 186 Ų | 186 | 131.8 Ų | 131.8 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | | | cis | -143.2 | -169.8 | 34.1 | -67.7 | -156.2 | 125.7 | 0 | 0 | 116.1 | | |
| 569 | K | 35.4 | Very low | 34.6 | Very low | 205 Ų | 205 | 131.5 Ų | 131.5 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | | | trans | -93.3 | 155.1 | -173.5 | -50.5 | 156.6 | -177.3 | 165.7 | 0 | 112 | | |
| 570 | S | 33.7 | Very low | 35.4 | Very low | 106 Ų | 106 | 131 Ų | 131 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | | | | -178.7 | 146.8 | 115.8 | -167.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 571 | S | 34.9 | Very low | 36.1 | Very low | 97 Ų | 97 | 129.5 Ų | 129.5 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | | | trans | 42.3 | 78.7 | 146 | 61 | 0 | 0 | 0 | 0 | 120.8 | | |
| 572 | L | 29.6 | Very low | 37.1 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | | | | 11.9 | 110.6 | 120.9 | -170.8 | 75.8 | 0 | 0 | 0 | 118.1 | | |
| 573 | T | 31.6 | Very low | 37.4 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | | | trans | -134.3 | 132.3 | 146.4 | 31.9 | 0 | 0 | 0 | 0 | 109.1 | A575 | T573-A575 PolarHBondContact O-N 3.32Š|
| 574 | Q | 31.4 | Very low | 38.1 | Very low | 191 Ų | 191 | 130.1 Ų | 130.1 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | | | trans | -84 | 110.5 | -174.3 | -173.7 | 174.2 | 3 | 0 | 0 | 110.6 | | |
| 575 | A | 31.8 | Very low | 38.8 | Very low | 82 Ų | 82 | 130.8 Ų | 130.8 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -74 | 149.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T573 | T573-A575 PolarHBondContact O-N 3.32Š|
| 576 | P | 39.9 | Very low | 39.3 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 157.7 | 168.1 | -21.8 | 34.1 | 0 | 0 | 0 | 112.2 | | |
| 577 | P | 44.1 | Very low | 40 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 141.2 | -177.2 | 26.4 | -35.1 | 0 | 0 | 0 | 112.8 | L579 | P577-L579 PolarHBondContact O-N 3.32Å; P577-L579 VanDerWaalsContact O-N 3.13Å |
| 578 | D | 39.5 | Very low | 40.4 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | | | trans | -76.9 | 99.7 | -174.8 | -172.6 | 4.3 | 0 | 0 | 0 | 112.5 | L580 S581 | D578-L580 PolarHBondContact O-N 3.26Å; D578-L580 WeakPolarHBondContact OD1-CB 3.39Å; D578-L580 PolarHBondContact OD1-N 2.88Å; D578-S581 WeakPolarHBondContact O-CB 3.33Å; D578-S581 PolarHBondContact O-N 3.48Å; D578-S581 PolarHBondContact O-OG 3.36Å |
| 579 | L | 46.3 | Very low | 41.2 | Very low | 131 Ų | 131 | 127.3 Ų | 127.3 | 69% | 0.686 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -70 | -11.8 | 179.6 | -63.7 | 177.5 | 0 | 0 | 0 | 113.7 | P577 S581 H582 | P577-L579 PolarHBondContact O-N 3.32Å; P577-L579 VanDerWaalsContact O-N 3.13Å; L579-S581 PolarHBondContact O-N 3.07Å; L579-H582 PolarHBondContact O-N 3.4Å |
| 580 | L | 48.1 | Very low | 42.1 | Very low | 127 Ų | 127 | 126 Ų | 126 | 67% | 0.665 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -65.7 | -20.3 | 174.4 | -90.4 | 65 | 0 | 0 | 0 | 112.4 | D578 H582 F583 | D578-L580 PolarHBondContact O-N 3.26Å; D578-L580 WeakPolarHBondContact OD1-CB 3.39Å; D578-L580 PolarHBondContact OD1-N 2.88Å; L580-H582 PolarHBondContact O-N 2.96Å; L580-F583 PolarHBondContact O-N 2.9Å |
| 581 | S | 48.7 | Very low | 43.3 | Very low | 88 Ų | 88 | 127.6 Ų | 127.6 | 62% | 0.615 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -61.5 | -11.4 | 176.5 | 63.1 | 0 | 0 | 0 | 0 | 115.2 | D578 L579 | D578-S581 WeakPolarHBondContact O-CB 3.33Å; D578-S581 PolarHBondContact O-N 3.48Å; D578-S581 PolarHBondContact O-OG 3.36Å; L579-S581 PolarHBondContact O-N 3.07Å |
| 582 | H | 51.8 | Low | 44.3 | Very low | 162 Ų | 162 | 125.3 Ų | 125.3 | 75% | 0.75 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -100.7 | -2 | -177 | -77.6 | 33.8 | 0 | 0 | 0 | 114.6 | L579 L580 | L579-H582 PolarHBondContact O-N 3.4Å; L580-H582 PolarHBondContact O-N 2.96Å |
| 583 | F | 39.2 | Very low | 45 | Very low | 130 Ų | 130 | 122.2 Ų | 122.2 | 57% | 0.57 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -78.2 | 133.9 | 173.7 | -69 | -72.3 | 0 | 0 | 0 | 111.4 | L580 M599 | L580-F583 PolarHBondContact O-N 2.9Å; F583-M599 HydrophobicContact CD1-CE 4.46Å; F583-M599 HydrophobicContact CE1-CE 4.04Å |
| 584 | P | 47.1 | Very low | 45.5 | Very low | 109 Ų | 109 | 120.5 Ų | 120.5 | 71% | 0.708 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 144.8 | 173 | 28 | -34.1 | 0 | 0 | 0 | 110.2 | L586 | P584-L586 PolarHBondContact O-N 3.3Š|
| 585 | P | 47.9 | Very low | 45.9 | Very low | 120 Ų | 120 | 115.2 Ų | 115.2 | 78% | 0.779 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 132.7 | -176.6 | 24.9 | -34.1 | 0 | 0 | 0 | 111.2 | I587 | P585-I587 PolarHBondContact O-N 2.98Å; P585-I587 VanDerWaalsContact O-N 3.16Å |
| 586 | L | 44.2 | Very low | 46.1 | Very low | 130 Ų | 130 | 115.3 Ų | 115.3 | 68% | 0.681 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 119.7 | 178.6 | -73.7 | 167 | 0 | 0 | 0 | 110.9 | P584 K588 | P584-L586 PolarHBondContact O-N 3.3Å; L586-K588 PolarHBondContact O-N 3.28Å |
| 587 | I | 48.5 | Very low | 46 | Very low | 130 Ų | 130 | 114.3 Ų | 114.3 | 67% | 0.667 | 65% | 0.647 | S | S | * | * | | | trans | -69.3 | 106.4 | 177.5 | -55.3 | 175.9 | 0 | 0 | 0 | 107.8 | P585 | P585-I587 PolarHBondContact O-N 2.98Å; P585-I587 VanDerWaalsContact O-N 3.16Å |
| 588 | K | 41 | Very low | 45.5 | Very low | 164 Ų | 164 | 114.9 Ų | 114.9 | 71% | 0.713 | 65% | 0.649 | S | S | * | * | B | Isolated β-bridge | trans | -68.9 | 139.6 | 168.4 | -62.9 | -174.4 | 179.1 | -174.5 | 0 | 109.2 | L586 | L586-K588 PolarHBondContact O-N 3.28Å |
| 589 | T | 51.1 | Low | 45.2 | Very low | 51 Ų | 51 | 115.4 Ų | 115.4 | 31% | 0.313 | 65% | 0.649 | S | S | . | * | | | trans | -68.5 | 160.9 | 161.2 | 58.7 | 0 | 0 | 0 | 0 | 110.1 | N591 G592 D593 I595 | T589-N591 PolarHBondContact O-N 3.48Å; T589-N591 VanDerWaalsContact O-N 3.11Å; T589-G592 PolarHBondContact O-N 2.9Å; T589-D593 PolarHBondContact N-O 2.95Å; T589-D593 PolarHBondContact OG1-N 3.29Å; T589-D593 PolarHBondContact OG1-O 3.38Å; T589-D593 VanDerWaalsContact OG1-O 3.07Å; T589-I595 HydrophobicContact CG2-CD1 3.9Å; T589-I595 HydrophobicContact CG2-CG1 3.68Å |
| 590 | D | 54 | Low | 44.7 | Very low | 177 Ų | 177 | 118.1 Ų | 118.1 | 95% | 0.947 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -19.2 | 171 | -74.3 | -42.3 | 0 | 0 | 0 | 112.8 | G592 | D590-G592 VanDerWaalsContact C-N 3.3Š|
| 591 | N | 59.5 | Low | 44.1 | Very low | 141 Ų | 141 | 117 Ų | 117 | 75% | 0.754 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -7.7 | 174.5 | -63.8 | -7.8 | 0 | 0 | 0 | 113.3 | T589 D593 | T589-N591 PolarHBondContact O-N 3.48Å; T589-N591 VanDerWaalsContact O-N 3.11Å; N591-D593 PolarHBondContact O-N 2.97Å |
| 592 | G | 55.2 | Low | 43.5 | Very low | 48 Ų | 48 | 120 Ų | 120 | 50% | 0.495 | 66% | 0.661 | S | S | . | * | | | trans | 83.3 | -12.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | T589 D590 | T589-G592 PolarHBondContact O-N 2.9Å; D590-G592 VanDerWaalsContact C-N 3.3Å |
| 593 | D | 44.6 | Very low | 42.7 | Very low | 103 Ų | 103 | 119.4 Ų | 119.4 | 55% | 0.551 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 133.2 | 177 | -70.7 | -48.7 | 0 | 0 | 0 | 111.2 | T589 N591 I595 | T589-D593 PolarHBondContact N-O 2.95Å; T589-D593 PolarHBondContact OG1-N 3.29Å; T589-D593 PolarHBondContact OG1-O 3.38Å; T589-D593 VanDerWaalsContact OG1-O 3.07Å; N591-D593 PolarHBondContact O-N 2.97Å; D593-I595 PolarHBondContact O-N 2.95Å |
| 594 | P | 42.3 | Very low | 42.7 | Very low | 102 Ų | 102 | 120.7 Ų | 120.7 | 66% | 0.662 | 67% | 0.674 | S | S | * | * | B | Isolated β-bridge | trans | -73 | 121.6 | 174.6 | 29.8 | -32.6 | 0 | 0 | 0 | 110 | A596 | P594-A596 PolarHBondContact O-N 3.2Å; P594-A596 VanDerWaalsContact O-N 3.16Å |
| 595 | I | 38.1 | Very low | 42.4 | Very low | 80 Ų | 80 | 122.3 Ų | 122.3 | 41% | 0.41 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 116 | 168.5 | -55.2 | 178.4 | 0 | 0 | 0 | 107.5 | T589 D593 V597 | T589-I595 HydrophobicContact CG2-CD1 3.9Å; T589-I595 HydrophobicContact CG2-CG1 3.68Å; D593-I595 PolarHBondContact O-N 2.95Å; I595-V597 VanDerWaalsContact C-N 3.29Å; I595-V597 HydrophobicContact CG2-CG2 4.17Å; I595-V597 PolarHBondContact O-N 3Å |
| 596 | A | 37.7 | Very low | 41.7 | Very low | 84 Ų | 84 | 119.9 Ų | 119.9 | 69% | 0.694 | 67% | 0.669 | S | S | * | * | | | trans | -69.4 | 88.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109 | P594 T598 | P594-A596 PolarHBondContact O-N 3.2Å; P594-A596 VanDerWaalsContact O-N 3.16Å; A596-T598 VanDerWaalsContact C-N 3.28Å; A596-T598 PolarHBondContact O-N 3Å |
| 597 | V | 36.4 | Very low | 41.2 | Very low | 95 Ų | 95 | 117.2 Ų | 117.2 | 58% | 0.576 | 67% | 0.672 | S | S | * | * | | | trans | -72.7 | 87.7 | 172.2 | -176.1 | 0 | 0 | 0 | 0 | 108 | I595 M599 | I595-V597 VanDerWaalsContact C-N 3.29Å; I595-V597 HydrophobicContact CG2-CG2 4.17Å; I595-V597 PolarHBondContact O-N 3Å; V597-M599 VanDerWaalsContact C-N 3.27Å; V597-M599 HydrophobicContact CG1-CG 4.14Å; V597-M599 PolarHBondContact O-N 2.89Å |
| 598 | T | 35.1 | Very low | 40.7 | Very low | 126 Ų | 126 | 120.7 Ų | 120.7 | 77% | 0.773 | 68% | 0.677 | S | S | * | * | | | trans | -67.3 | 88.7 | 166.3 | 49.2 | 0 | 0 | 0 | 0 | 108.5 | A596 E600 | A596-T598 VanDerWaalsContact C-N 3.28Å; A596-T598 PolarHBondContact O-N 3Å; T598-E600 PolarHBondContact O-N 2.92Å |
| 599 | M | 33.3 | Very low | 40.6 | Very low | 125 Ų | 125 | 118.5 Ų | 118.5 | 62% | 0.616 | 67% | 0.669 | S | S | * | * | | | trans | -66.5 | 109.9 | 161.8 | -67.5 | -173.7 | -63.6 | 0 | 0 | 107.4 | F583 V597 V601 | F583-M599 HydrophobicContact CD1-CE 4.46Å; F583-M599 HydrophobicContact CE1-CE 4.04Å; V597-M599 VanDerWaalsContact C-N 3.27Å; V597-M599 HydrophobicContact CG1-CG 4.14Å; V597-M599 PolarHBondContact O-N 2.89Å; M599-V601 VanDerWaalsContact C-N 3.28Å; M599-V601 HydrophobicContact CB-CG2 4.5Å; M599-V601 PolarHBondContact O-N 3.4Å |
| 600 | E | 35.4 | Very low | 40.3 | Very low | 188 Ų | 188 | 121 Ų | 121 | 88% | 0.879 | 69% | 0.687 | S | S | * | * | | | trans | -65.2 | 98.3 | 157.9 | -68.2 | -170.8 | 158.5 | 0 | 0 | 106.7 | T598 E602 | T598-E600 PolarHBondContact O-N 2.92Å; E600-E602 VanDerWaalsContact C-N 3.26Å; E600-E602 PolarHBondContact O-N 3.34Å |
| 601 | V | 35.3 | Very low | 40 | Very low | 103 Ų | 103 | 119 Ų | 119 | 62% | 0.624 | 67% | 0.671 | S | S | * | * | | | trans | -71.9 | 92.9 | 169.8 | -179.8 | 0 | 0 | 0 | 0 | 106 | M599 L603 | M599-V601 VanDerWaalsContact C-N 3.28Å; M599-V601 HydrophobicContact CB-CG2 4.5Å; M599-V601 PolarHBondContact O-N 3.4Å; V601-L603 HydrophobicContact CG1-CD2 4.03Å; V601-L603 HydrophobicContact CG1-CG 4.32Å; V601-L603 PolarHBondContact O-N 3.39Å |
| 602 | E | 35 | Very low | 39.2 | Very low | 153 Ų | 153 | 115.1 Ų | 115.1 | 72% | 0.715 | 66% | 0.659 | S | S | * | * | | | trans | -61.9 | 92.8 | 169.1 | -170.8 | 170.3 | -137.5 | 0 | 0 | 107.9 | E600 L604 | E600-E602 VanDerWaalsContact C-N 3.26Å; E600-E602 PolarHBondContact O-N 3.34Å; E602-L604 VanDerWaalsContact C-N 3.29Å; E602-L604 PolarHBondContact O-N 2.95Å |
| 603 | L | 35.4 | Very low | 38.7 | Very low | 149 Ų | 149 | 118.1 Ų | 118.1 | 78% | 0.78 | 66% | 0.663 | S | S | * | * | | | trans | -68.2 | 92.1 | 176.1 | -74.2 | 174 | 0 | 0 | 0 | 107.8 | V601 E605 | V601-L603 HydrophobicContact CG1-CD2 4.03Å; V601-L603 HydrophobicContact CG1-CG 4.32Å; V601-L603 PolarHBondContact O-N 3.39Å; L603-E605 PolarHBondContact O-N 3.47Å |
| 604 | L | 39.8 | Very low | 38.9 | Very low | 156 Ų | 156 | 120.8 Ų | 120.8 | 82% | 0.817 | 67% | 0.67 | S | S | * | * | | | trans | -46.3 | 99.5 | 167.4 | -80.5 | 154.4 | 0 | 0 | 0 | 109.3 | E602 G606 | E602-L604 VanDerWaalsContact C-N 3.29Å; E602-L604 PolarHBondContact O-N 2.95Å; L604-G606 PolarHBondContact O-N 2.97Å |
| 605 | E | 40.1 | Very low | 39.2 | Very low | 144 Ų | 144 | 122 Ų | 122 | 67% | 0.673 | 67% | 0.671 | S | S | * | * | | | trans | -78.2 | 35.4 | -177 | -174.9 | 135 | -133.1 | 0 | 0 | 112 | L603 R608 | L603-E605 PolarHBondContact O-N 3.47Å; E605-R608 IonicContact OE1-CZ 2.66Å; E605-R608 IonicContact OE1-NE 3.95Å; E605-R608 PolarHBondContact OE1-NE 3.49Å; E605-R608 IonicContact OE1-NH2 2.74Å; E605-R608 PolarHBondContact OE1-NH2 3.02Å; E605-R608 IonicContact OE2-NH2 3.3Å |
| 606 | G | 33.3 | Very low | 39.9 | Very low | 69 Ų | 69 | 123.5 Ų | 123.5 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -101 | 115.2 | 168 | 0 | 0 | 0 | 0 | 0 | 110.2 | L604 | L604-G606 PolarHBondContact O-N 2.97Š|
| 607 | G | 34.1 | Very low | 40.5 | Very low | 73 Ų | 73 | 126.8 Ų | 126.8 | 75% | 0.753 | 68% | 0.678 | S | S | * | * | | | trans | 93.6 | 61.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | H609 | G607-H609 PolarHBondContact O-N 3.23Š|
| 608 | R | 38.9 | Very low | 41.2 | Very low | 203 Ų | 203 | 126 Ų | 126 | 77% | 0.766 | 68% | 0.676 | S | S | * | * | | | trans | -64.9 | 73 | 170.3 | -73.9 | -176.7 | 166.6 | -164.6 | 0.5 | 112.6 | E605 P610 | E605-R608 IonicContact OE1-CZ 2.66Å; E605-R608 IonicContact OE1-NE 3.95Å; E605-R608 PolarHBondContact OE1-NE 3.49Å; E605-R608 IonicContact OE1-NH2 2.74Å; E605-R608 PolarHBondContact OE1-NH2 3.02Å; E605-R608 IonicContact OE2-NH2 3.3Å; R608-P610 WeakPolarHBondContact O-CD 3.45Å |
| 609 | H | 37.1 | Very low | 41.7 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 55% | 0.551 | 67% | 0.666 | S | S | * | * | | | trans | -75.6 | 116.5 | 176.8 | -167.9 | -114.6 | 0 | 0 | 0 | 111.3 | G607 Q611 A612 | G607-H609 PolarHBondContact O-N 3.23Å; H609-Q611 PolarHBondContact O-N 3.27Å; H609-A612 PolarHBondContact O-N 3.48Å; H609-A612 VanDerWaalsContact O-N 3.16Å |
| 610 | P | 45.6 | Very low | 42.6 | Very low | 104 Ų | 104 | 123.9 Ų | 123.9 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -12.3 | -164.7 | 25.4 | -34.7 | 0 | 0 | 0 | 115.3 | R608 | R608-P610 WeakPolarHBondContact O-CD 3.45Š|
| 611 | Q | 48.2 | Very low | 43.3 | Very low | 134 Ų | 134 | 119.9 Ų | 119.9 | 63% | 0.626 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -33.1 | 173.9 | -71.4 | -177.1 | -20.9 | 0 | 0 | 113.5 | H609 N613 K614 L615 | H609-Q611 PolarHBondContact O-N 3.27Å; Q611-N613 VanDerWaalsContact C-N 3.31Å; Q611-N613 PolarHBondContact O-N 3.3Å; Q611-K614 WeakPolarHBondContact O-CB 3.39Å; Q611-K614 PolarHBondContact O-N 2.9Å; Q611-L615 PolarHBondContact O-N 3.02Å |
| 612 | A | 42.7 | Very low | 43.7 | Very low | 59 Ų | 59 | 119.9 Ų | 119.9 | 49% | 0.488 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -61.6 | -40.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H609 K614 L615 L616 | H609-A612 PolarHBondContact O-N 3.48Å; H609-A612 VanDerWaalsContact O-N 3.16Å; A612-K614 PolarHBondContact O-N 3.23Å; A612-L615 PolarHBondContact O-N 3.5Å; A612-L616 PolarHBondContact O-N 3.46Å |
| 613 | N | 44.7 | Very low | 43.9 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 59% | 0.594 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -68.7 | -17.7 | 178.1 | -115.8 | -50.3 | 0 | 0 | 0 | 114.1 | Q611 K617 | Q611-N613 VanDerWaalsContact C-N 3.31Å; Q611-N613 PolarHBondContact O-N 3.3Å; N613-K617 WeakPolarHBondContact O-CG 3.45Å |
| 614 | K | 48.3 | Very low | 44.1 | Very low | 160 Ų | 160 | 119.6 Ų | 119.6 | 70% | 0.696 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -78.2 | -44.4 | 169.5 | -75.3 | -174.4 | 173.9 | -178.3 | 0 | 111.1 | Q611 A612 K617 S618 | Q611-K614 WeakPolarHBondContact O-CB 3.39Å; Q611-K614 PolarHBondContact O-N 2.9Å; A612-K614 PolarHBondContact O-N 3.23Å; K614-K617 PolarHBondContact O-N 3.44Å; K614-S618 PolarHBondContact O-N 3.36Å; K614-S618 PolarHBondContact O-OG 3.26Å |
| 615 | L | 49.2 | Very low | 43.8 | Very low | 127 Ų | 127 | 120.1 Ų | 120.1 | 67% | 0.665 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -63.5 | -42.9 | 178.4 | -69.4 | 172.8 | 0 | 0 | 0 | 112.1 | Q611 A612 K617 S618 A619 | Q611-L615 PolarHBondContact O-N 3.02Å; A612-L615 PolarHBondContact O-N 3.5Å; L615-K617 PolarHBondContact O-N 2.94Å; L615-S618 PolarHBondContact O-N 2.94Å; L615-A619 WeakPolarHBondContact O-CB 3.28Å; L615-A619 PolarHBondContact O-N 2.93Å |
| 616 | L | 51.8 | Low | 43.6 | Very low | 112 Ų | 112 | 120.3 Ų | 120.3 | 59% | 0.586 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -63.1 | -40.9 | 179.1 | -143 | 79.1 | 0 | 0 | 0 | 112.3 | A612 A619 L620 | A612-L616 PolarHBondContact O-N 3.46Å; L616-A619 PolarHBondContact O-N 3.45Å; L616-L620 WeakPolarHBondContact O-CB 3.44Å; L616-L620 WeakPolarHBondContact O-CG 3.43Å; L616-L620 PolarHBondContact O-N 3.1Å |
| 617 | K | 51.4 | Low | 43.6 | Very low | 153 Ų | 153 | 124.7 Ų | 124.7 | 67% | 0.665 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -67.8 | -37.2 | 175.2 | -76.5 | -175.3 | 174.8 | -177.4 | 0 | 112.8 | N613 K614 L615 S621 | N613-K617 WeakPolarHBondContact O-CG 3.45Å; K614-K617 PolarHBondContact O-N 3.44Å; L615-K617 PolarHBondContact O-N 2.94Å; K617-S621 WeakPolarHBondContact O-CB 3.35Å; K617-S621 PolarHBondContact O-N 3.34Å |
| 618 | S | 49.9 | Very low | 43.5 | Very low | 78 Ų | 78 | 128.9 Ų | 128.9 | 55% | 0.545 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -65.1 | -44.8 | 173.5 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | K614 L615 S621 S622 | K614-S618 PolarHBondContact O-N 3.36Å; K614-S618 PolarHBondContact O-OG 3.26Å; L615-S618 PolarHBondContact O-N 2.94Å; S618-S621 PolarHBondContact O-N 3.42Å; S618-S622 WeakPolarHBondContact O-CB 3.41Å; S618-S622 PolarHBondContact O-N 3.09Å; S618-S622 VanDerWaalsContact O-N 3.13Å |
| 619 | A | 47 | Very low | 43.3 | Very low | 67 Ų | 67 | 127.1 Ų | 127.1 | 55% | 0.554 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -61.3 | -46 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | L615 L616 S621 S622 | L615-A619 WeakPolarHBondContact O-CB 3.28Å; L615-A619 PolarHBondContact O-N 2.93Å; L616-A619 PolarHBondContact O-N 3.45Å; A619-S621 VanDerWaalsContact C-N 3.34Å; A619-S621 PolarHBondContact O-N 3.23Å; A619-S622 PolarHBondContact O-N 3.19Å |
| 620 | L | 50.7 | Low | 43.1 | Very low | 139 Ų | 139 | 126.3 Ų | 126.3 | 73% | 0.728 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -69.8 | -27.8 | 177.9 | -70 | 167.9 | 0 | 0 | 0 | 113.3 | L616 | L616-L620 WeakPolarHBondContact O-CB 3.44Å; L616-L620 WeakPolarHBondContact O-CG 3.43Å; L616-L620 PolarHBondContact O-N 3.1Å |
| 621 | S | 50.6 | Low | 42.5 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 73% | 0.734 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -84.9 | -13.3 | 179 | -169.5 | 0 | 0 | 0 | 0 | 114.3 | K617 S618 A619 | K617-S621 WeakPolarHBondContact O-CB 3.35Å; K617-S621 PolarHBondContact O-N 3.34Å; S618-S621 PolarHBondContact O-N 3.42Å; A619-S621 VanDerWaalsContact C-N 3.34Å; A619-S621 PolarHBondContact O-N 3.23Å |
| 622 | S | 43.2 | Very low | 42 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -93.3 | -7.6 | -171.7 | -167.8 | 0 | 0 | 0 | 0 | 114.9 | S618 A619 | S618-S622 WeakPolarHBondContact O-CB 3.41Å; S618-S622 PolarHBondContact O-N 3.09Å; S618-S622 VanDerWaalsContact O-N 3.13Å; A619-S622 PolarHBondContact O-N 3.19Å |
| 623 | N | 39.9 | Very low | 41.5 | Very low | 147 Ų | 147 | 136 Ų | 136 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -114.7 | 37.7 | -159 | -158.1 | 24.7 | 0 | 0 | 0 | 114.7 | | |
| 624 | N | 39.5 | Very low | 41.1 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -143.7 | 13.2 | -175.3 | -152 | 23.7 | 0 | 0 | 0 | 116.1 | | |
| 625 | N | 34.5 | Very low | 40.4 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 89% | 0.893 | 75% | 0.747 | S | S | * | * | | | trans | -128.2 | 61.4 | 179.1 | -87.5 | -11.2 | 0 | 0 | 0 | 111.3 | | |
| 626 | N | 34.7 | Very low | 39.6 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | trans | -153.2 | 87.8 | 163.9 | -149.1 | 7.1 | 0 | 0 | 0 | 112.7 | | |
| 627 | N | 33.4 | Very low | 38.7 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | | | trans | -151.1 | 119.3 | 155.2 | -132.5 | -5.3 | 0 | 0 | 0 | 108.9 | | |
| 628 | Q | 31.9 | Very low | 37.9 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | | | trans | -84.3 | -169.7 | 171.1 | -64.8 | 178.1 | -15.3 | 0 | 0 | 109.5 | | |
| 629 | I | 34.5 | Very low | 37.1 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | trans | 84.8 | 125.6 | -171.8 | -53.2 | 164.1 | 0 | 0 | 0 | 111.6 | | |
| 630 | S | 33.5 | Very low | 36.5 | Very low | 101 Ų | 101 | 150 Ų | 150 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | | | cis | -159.5 | 157.4 | -12.4 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 631 | N | 31.9 | Very low | 35.8 | Very low | 150 Ų | 150 | 148.8 Ų | 148.8 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | trans | -38.9 | 130.5 | 179.7 | -50.4 | -25.9 | 0 | 0 | 0 | 117.5 | | |
| 632 | Q | 37.7 | Very low | 34.9 | Very low | 182 Ų | 182 | 147.1 Ų | 147.1 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | | | | -149.5 | 120.9 | 123.1 | -61.5 | -161.6 | 24.3 | 0 | 0 | 105.5 | | |
| 633 | Q | 33.8 | Very low | 34.7 | Very low | 168 Ų | 168 | 152 Ų | 152 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | | 63.7 | 115.6 | 77.1 | -172.1 | 167 | -7.8 | 0 | 0 | 110.3 | | |
| 634 | E | 35.6 | Very low | 34.3 | Very low | 156 Ų | 156 | 151 Ų | 151 | 73% | 0.729 | 80% | 0.801 | S | S | * | * | | | cis | -131.7 | 151 | 29.9 | -66 | -176.5 | 139.1 | 0 | 0 | 113.4 | | |
| 635 | Q | 32.9 | Very low | 33.7 | Very low | 188 Ų | 188 | 149.8 Ų | 149.8 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | | | | 38.2 | 139.8 | 104.6 | -63 | -177.6 | -24.3 | 0 | 0 | 117.6 | | |
| 636 | S | 33.9 | Very low | 33.6 | Very low | 113 Ų | 113 | 147.5 Ų | 147.5 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | cis | -142.1 | 164.1 | 0.8 | 64.8 | 0 | 0 | 0 | 0 | 113 | | |
| 637 | T | 32.2 | Very low | 33.6 | Very low | 122 Ų | 122 | 147 Ų | 147 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | -71.5 | 156.7 | 164.5 | 46.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 638 | D | 34.1 | Very low | 33.8 | Very low | 164 Ų | 164 | 145 Ų | 145 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | | | | -155.8 | 151.4 | 122.4 | -116.3 | -21.2 | 0 | 0 | 0 | 111.7 | | |
| 639 | D | 34.3 | Very low | 34.1 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | trans | -95.3 | -164.6 | 179.9 | -102.5 | -53.7 | 0 | 0 | 0 | 111.3 | | |
| 640 | Y | 34.1 | Very low | 34.3 | Very low | 210 Ų | 210 | 141.6 Ų | 141.6 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | | | trans | 87.5 | 108.1 | 157.5 | -98 | -106.3 | 0 | 0 | 0 | 120.5 | | |
| 641 | V | 35.6 | Very low | 34.7 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | | | trans | 59.1 | 110.1 | 130.8 | 178.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 642 | G | 32.4 | Very low | 35.1 | Very low | 71 Ų | 71 | 138.6 Ų | 138.6 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | | | trans | -73.8 | 164 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 643 | K | 37.7 | Very low | 35.2 | Very low | 206 Ų | 206 | 134 Ų | 134 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | | | trans | -150.5 | 160.3 | 164.4 | -109.3 | 161.1 | -173.3 | 171 | 0 | 111.6 | | |
| 644 | T | 32.5 | Very low | 35.5 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -72.9 | 147.2 | -166.6 | 46.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 645 | C | 26.4 | Very low | 35.7 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | | | trans | 28.6 | 113.8 | 143.6 | -59.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 646 | S | 32.6 | Very low | 36.2 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -176.1 | 146.7 | 133 | -79.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 647 | T | 34.9 | Very low | 36.5 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | | | cis | -146.4 | 177.6 | 18.2 | -9.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 648 | T | 36.9 | Very low | 36.8 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 73% | 0.73 | 81% | 0.806 | S | S | * | * | | | trans | -81.7 | 149.3 | -174.3 | 42.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 649 | S | 39.6 | Very low | 37.1 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | | | trans | 68.7 | 147.6 | 147.5 | 73.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 650 | N | 38.6 | Very low | 37.3 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | | | cis | -147.7 | 157.8 | 2.1 | -151.3 | 5.9 | 0 | 0 | 0 | 113.4 | | |
| 651 | S | 42.1 | Very low | 37.4 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | | | trans | 44.2 | 126.6 | 155.1 | 59.7 | 0 | 0 | 0 | 0 | 121.9 | | |
| 652 | G | 38.5 | Very low | 37.8 | Very low | 81 Ų | 81 | 136.7 Ų | 136.7 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | | | trans | 124.1 | 9.7 | 133.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 653 | G | 40.6 | Very low | 38.4 | Very low | 86 Ų | 86 | 143 Ų | 143 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | | | trans | -69.2 | 157 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 654 | G | 40.3 | Very low | 38.8 | Very low | 67 Ų | 67 | 139.1 Ų | 139.1 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | | | cis | 163.8 | 137.5 | -1.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | K656 | G654-K656 PolarHBondContact O-N 2.97Š|
| 655 | N | 40.2 | Very low | 39 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 90% | 0.904 | 83% | 0.825 | S | S | * | * | | | trans | -63.9 | 122.1 | -171.7 | -72.4 | -27 | 0 | 0 | 0 | 113 | | |
| 656 | K | 41.9 | Very low | 40.1 | Very low | 195 Ų | 195 | 146.8 Ų | 146.8 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | | | trans | -98.2 | 92.5 | 168.4 | -82 | -171.1 | 173.5 | -179.2 | 0 | 111.7 | G654 T658 | G654-K656 PolarHBondContact O-N 2.97Å; K656-T658 PolarHBondContact O-N 3Å |
| 657 | T | 40.8 | Very low | 40.3 | Very low | 142 Ų | 142 | 145.6 Ų | 145.6 | 87% | 0.871 | 82% | 0.819 | S | S | * | * | | | trans | -54.6 | 124.8 | 159.4 | 40.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 658 | T | 38.9 | Very low | 40.9 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | | | trans | -128.5 | 129.1 | 173.5 | -52.9 | 0 | 0 | 0 | 0 | 108.5 | K656 | K656-T658 PolarHBondContact O-N 3Š|
| 659 | M | 39.2 | Very low | 41.1 | Very low | 181 Ų | 181 | 150.6 Ų | 150.6 | 89% | 0.892 | 84% | 0.838 | S | S | * | * | | | trans | -68.4 | 139.3 | -166 | -63.6 | 165.3 | 69.3 | 0 | 0 | 113 | R661 | M659-R661 PolarHBondContact O-N 3.47Å; M659-R661 VanDerWaalsContact O-N 3.1Å |
| 660 | K | 39.9 | Very low | 41.2 | Very low | 213 Ų | 213 | 152.6 Ų | 152.6 | 93% | 0.926 | 84% | 0.84 | S | S | * | * | | | trans | -64.3 | 108.5 | 165.6 | -74.7 | -175.5 | 176.8 | 179.1 | 0 | 109.4 | S662 | K660-S662 PolarHBondContact O-N 3.2Š|
| 661 | R | 35.9 | Very low | 41.3 | Very low | 244 Ų | 244 | 153.1 Ų | 153.1 | 92% | 0.921 | 84% | 0.844 | S | S | * | * | | | trans | -75.6 | 102.7 | 176.2 | -163.7 | 176.5 | -167.6 | 176.4 | 4.6 | 110 | M659 K663 | M659-R661 PolarHBondContact O-N 3.47Å; M659-R661 VanDerWaalsContact O-N 3.1Å; R661-K663 PolarHBondContact O-N 3.33Å |
| 662 | S | 43.4 | Very low | 41.3 | Very low | 102 Ų | 102 | 155.8 Ų | 155.8 | 71% | 0.713 | 85% | 0.85 | S | S | * | * | | | trans | -62.3 | 122.6 | 176.9 | -173.9 | 0 | 0 | 0 | 0 | 111 | K660 V664 | K660-S662 PolarHBondContact O-N 3.2Å; S662-V664 PolarHBondContact O-N 3.4Å |
| 663 | K | 44.6 | Very low | 41.5 | Very low | 202 Ų | 202 | 160.5 Ų | 160.5 | 88% | 0.878 | 85% | 0.851 | S | S | * | * | | | trans | -83.2 | 86.4 | 166.4 | -82.5 | -171.4 | 173.5 | -177 | 0 | 108.9 | R661 R665 | R661-K663 PolarHBondContact O-N 3.33Å; K663-R665 PolarHBondContact O-N 2.78Å |
| 664 | V | 47.3 | Very low | 41.5 | Very low | 125 Ų | 125 | 165.5 Ų | 165.5 | 76% | 0.758 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 123.9 | 164.2 | 176.2 | 0 | 0 | 0 | 0 | 108 | S662 K666 | S662-V664 PolarHBondContact O-N 3.4Å; V664-K666 PolarHBondContact O-N 3.42Å |
| 665 | R | 36.9 | Very low | 41.6 | Very low | 238 Ų | 238 | 172.5 Ų | 172.5 | 90% | 0.898 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 118 | 165 | -60.4 | 179.8 | -169.7 | 167.3 | 2.4 | 106.9 | K663 | K663-R665 PolarHBondContact O-N 2.78Š|
| 666 | K | 48.2 | Very low | 41.7 | Very low | 172 Ų | 172 | 172.8 Ų | 172.8 | 75% | 0.748 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 138 | 148.8 | -93.1 | -168 | 159.7 | -152.8 | 0 | 107.6 | V664 D668 | V664-K666 PolarHBondContact O-N 3.42Å; K666-D668 IonicContact NZ-OD1 3.82Å |
| 667 | A | 38.1 | Very low | 41.7 | Very low | 93 Ų | 93 | 170.9 Ų | 170.9 | 77% | 0.769 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 136.6 | 142 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 668 | D | 47.3 | Very low | 41.8 | Very low | 211 Ų | 211 | 173.5 Ų | 173.5 | 100% | 1.128 | 86% | 0.856 | S | S | * | * | | | trans | -109.8 | 0 | 148.4 | -64 | -47.5 | 0 | 0 | 0 | 105.5 | K666 | K666-D668 IonicContact NZ-OD1 3.82Š|